| 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 | 46.1 | Very low | 73.6 | Confident | 207 Ų | 207 | 76.5 Ų | 76.5 | 100% | 1.02 | 43% | 0.425 | S | S | * | . | 0 | -56.3 | 0 | -81.4 | -103.5 | -112.2 | 0 | 0 | 112.3 | G3 A4 C5 | M1-G3 PolarHBondContact O-N 2.89Å; M1-A4 PolarHBondContact O-N 3.3Å; M1-C5 PolarHBondContact O-N 3.1Å; M1-C5 VanDerWaalsContact O-N 3.14Å | |||
| 2 | I | 58.4 | Low | 74.7 | Confident | 155 Ų | 155 | 71.2 Ų | 71.2 | 80% | 0.795 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.7 | -45.6 | -178.8 | -61.7 | 169 | 0 | 0 | 0 | 112.2 | A4 C5 S6 | I2-A4 PolarHBondContact O-N 3.27Å; I2-C5 PolarHBondContact O-N 2.98Å; I2-S6 PolarHBondContact O-N 3.05Å |
| 3 | G | 63.8 | Low | 75.7 | Confident | 44 Ų | 44 | 73.1 Ų | 73.1 | 45% | 0.454 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.9 | -41.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | M1 C5 S6 N7 | M1-G3 PolarHBondContact O-N 2.89Å; G3-C5 VanDerWaalsContact C-N 3.33Å; G3-C5 PolarHBondContact O-N 3.3Å; G3-S6 PolarHBondContact O-N 3.5Å; G3-N7 PolarHBondContact O-N 3.17Å |
| 4 | A | 66.5 | Low | 76.7 | Confident | 52 Ų | 52 | 68.8 Ų | 68.8 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | M1 I2 F8 | M1-A4 PolarHBondContact O-N 3.3Å; I2-A4 PolarHBondContact O-N 3.27Å; A4-F8 VanDerWaalsContact O-CB 3.32Å; A4-F8 WeakPolarHBondContact O-CB 3.13Å; A4-F8 PolarHBondContact O-N 2.91Å |
| 5 | C | 74 | Confident | 77.3 | Confident | 86 Ų | 86 | 64.3 Ų | 64.3 | 58% | 0.581 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -67.3 | -39.9 | 174.2 | -74.5 | 0 | 0 | 0 | 0 | 112.4 | M1 I2 G3 F8 F9 | M1-C5 PolarHBondContact O-N 3.1Å; M1-C5 VanDerWaalsContact O-N 3.14Å; I2-C5 PolarHBondContact O-N 2.98Å; G3-C5 VanDerWaalsContact C-N 3.33Å; G3-C5 PolarHBondContact O-N 3.3Å; C5-F8 WeakPolarHBondContact O-CB 3.46Å; C5-F8 PolarHBondContact O-N 2.96Å; C5-F9 PolarHBondContact O-N 3.35Å |
| 6 | S | 78.6 | Confident | 77.7 | Confident | 38 Ų | 38 | 65.2 Ų | 65.2 | 27% | 0.266 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 175 | -171.9 | 0 | 0 | 0 | 0 | 111.2 | I2 G3 F8 F9 W10 | I2-S6 PolarHBondContact O-N 3.05Å; G3-S6 PolarHBondContact O-N 3.5Å; S6-F8 VanDerWaalsContact C-N 3.3Å; S6-F8 PolarHBondContact O-N 3.44Å; S6-F9 PolarHBondContact O-N 3.15Å; S6-F9 VanDerWaalsContact O-N 3.12Å; S6-W10 PolarHBondContact O-N 3.28Å; S6-W10 VanDerWaalsContact O-N 3.1Å |
| 7 | N | 81.1 | Confident | 78.1 | Confident | 20 Ų | 20 | 64.5 Ų | 64.5 | 11% | 0.107 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -59 | -43.1 | 177.8 | -71.1 | -1.7 | 0 | 0 | 0 | 111.3 | G3 F9 V11 L264 H662 L663 | G3-N7 PolarHBondContact O-N 3.17Å; N7-F9 PolarHBondContact O-N 3.37Å; N7-V11 WeakPolarHBondContact O-CB 3.49Å; N7-V11 VanDerWaalsContact O-CG2 3.25Å; N7-V11 WeakPolarHBondContact O-CG2 3.45Å; N7-V11 PolarHBondContact O-N 3.49Å; N7-V11 VanDerWaalsContact O-N 3.08Å; N7-L264 HydrophobicContact CB-CD1 4.22Å; N7-H662 PolarHBondContact OD1-O 3.47Å; N7-L663 HydrophobicContact CB-CD2 4.13Å |
| 8 | F | 84.2 | Confident | 78.2 | Confident | 61 Ų | 61 | 62.3 Ų | 62.3 | 27% | 0.268 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -57.3 | -47.8 | 174.5 | 174.9 | -98.8 | 0 | 0 | 0 | 112.6 | A4 C5 S6 T12 T268 F271 I275 | A4-F8 VanDerWaalsContact O-CB 3.32Å; A4-F8 WeakPolarHBondContact O-CB 3.13Å; A4-F8 PolarHBondContact O-N 2.91Å; C5-F8 WeakPolarHBondContact O-CB 3.46Å; C5-F8 PolarHBondContact O-N 2.96Å; S6-F8 VanDerWaalsContact C-N 3.3Å; S6-F8 PolarHBondContact O-N 3.44Å; F8-T12 VanDerWaalsContact O-CB 3.31Å; F8-T12 WeakPolarHBondContact O-CB 3.03Å; F8-T12 PolarHBondContact O-N 3.22Å; F8-T12 PolarHBondContact O-OG1 3.36Å; F8-T268 HydrophobicContact CB-CG2 3.72Å; F8-T268 HydrophobicContact CD2-CG2 4.17Å; F8-T268 HydrophobicContact CG-CG2 4.47Å; F8-F271 HydrophobicContact CD2-CB 4.37Å; F8-F271 HydrophobicContact CE2-CB 3.97Å; F8-I275 HydrophobicContact CE2-CG1 4.34Å; F8-I275 HydrophobicContact CZ-CB 4Å; F8-I275 HydrophobicContact CZ-CG1 3.75Å; F8-I275 HydrophobicContact CZ-CG2 4.28Å |
| 9 | F | 86.3 | Confident | 78.1 | Confident | 128 Ų | 128 | 60.5 Ų | 60.5 | 56% | 0.561 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.1 | -46.7 | -178.2 | 179.3 | -99.5 | 0 | 0 | 0 | 112 | C5 S6 N7 T12 K13 | C5-F9 PolarHBondContact O-N 3.35Å; S6-F9 PolarHBondContact O-N 3.15Å; S6-F9 VanDerWaalsContact O-N 3.12Å; N7-F9 PolarHBondContact O-N 3.37Å; F9-T12 PolarHBondContact O-N 3.33Å; F9-K13 WeakPolarHBondContact O-CB 3.45Å; F9-K13 PolarHBondContact O-N 3.11Å |
| 10 | W | 85.1 | Confident | 78.1 | Confident | 49 Ų | 49 | 66.6 Ų | 66.6 | 19% | 0.186 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71.1 | -37.9 | -177.5 | -79 | 101.7 | 0 | 0 | 0 | 113.6 | S6 T12 K13 K14 H662 | S6-W10 PolarHBondContact O-N 3.28Å; S6-W10 VanDerWaalsContact O-N 3.1Å; W10-T12 VanDerWaalsContact C-N 3.3Å; W10-T12 PolarHBondContact O-N 3.16Å; W10-K13 HydrophobicContact CE3-CD 3.8Å; W10-K13 HydrophobicContact CH2-CD 4.34Å; W10-K13 VanDerWaalsContact CH2-NZ 3.27Å; W10-K13 HydrophobicContact CZ3-CD 3.7Å; W10-K13 VanDerWaalsContact CZ3-NZ 3.25Å; W10-K13 PolarHBondContact O-N 3.24Å; W10-K14 PolarHBondContact O-N 3.37Å; W10-H662 HydrophobicContact CB-CB 4.38Å; W10-H662 AromaticContact CD1-CD2 3.47Å; W10-H662 VanDerWaalsContact CD1-CD2 3.47Å; W10-H662 AromaticContact CD1-CG 3.7Å; W10-H662 HydrophobicContact CD2-CB 4.4Å; W10-H662 AromaticContact CD2-CD2 3.92Å; W10-H662 AromaticContact CD2-CG 3.83Å; W10-H662 AromaticContact CD2-ND1 3.9Å; W10-H662 AromaticContact CD2-NE2 3.99Å; W10-H662 AromaticContact CE2-CD2 3.3Å; W10-H662 AromaticContact CE2-CE1 3.51Å; W10-H662 AromaticContact CE2-CG 3.7Å; W10-H662 AromaticContact CE2-ND1 3.83Å; W10-H662 AromaticContact CE2-NE2 3.13Å; W10-H662 HydrophobicContact CG-CB 3.97Å; W10-H662 AromaticContact CG-CG 3.86Å; W10-H662 AromaticContact CH2-CE1 3.53Å; W10-H662 AromaticContact CH2-NE2 3.78Å; W10-H662 AromaticContact CZ2-CD2 3.76Å; W10-H662 AromaticContact CZ2-CE1 3.29Å; W10-H662 WeakPolarHBondContact CZ2-CE1 3.23Å; W10-H662 AromaticContact CZ2-NE2 3.04Å; W10-H662 WeakPolarHBondContact CZ2-NE2 3.28Å; W10-H662 AromaticContact NE1-CD2 2.98Å; W10-H662 PolarHBondContact NE1-CD2 2.98Å; W10-H662 AromaticContact NE1-CG 3.6Å; W10-H662 AromaticContact NE1-NE2 3.28Å; W10-H662 PolarHBondContact NE1-NE2 3.4Å |
| 11 | V | 85.5 | Confident | 78.2 | Confident | 1 Ų | 1 | 67.2 Ų | 67.2 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 173.2 | 178.7 | 0 | 0 | 0 | 0 | 110.7 | N7 K14 N15 L264 S272 L663 | N7-V11 WeakPolarHBondContact O-CB 3.49Å; N7-V11 VanDerWaalsContact O-CG2 3.25Å; N7-V11 WeakPolarHBondContact O-CG2 3.45Å; N7-V11 PolarHBondContact O-N 3.49Å; N7-V11 VanDerWaalsContact O-N 3.08Å; V11-K14 WeakPolarHBondContact O-CB 3.44Å; V11-K14 PolarHBondContact O-N 3.29Å; V11-N15 VanDerWaalsContact O-CG 3.31Å; V11-N15 PolarHBondContact O-N 3.22Å; V11-N15 PolarHBondContact O-ND2 3.05Å; V11-L264 HydrophobicContact CG2-CD1 3.86Å; V11-L264 HydrophobicContact CG2-CD2 4.15Å; V11-S272 VanDerWaalsContact CG1-OG 3.3Å; V11-S272 WeakPolarHBondContact CG1-OG 3.48Å; V11-L663 HydrophobicContact CG2-CD2 3.97Å |
| 12 | T | 86.7 | Confident | 79.7 | Confident | 13 Ų | 13 | 58.8 Ų | 58.8 | 8% | 0.08 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 174.2 | -56.4 | 0 | 0 | 0 | 0 | 111.2 | F8 F9 W10 K14 N15 I16 I275 | F8-T12 VanDerWaalsContact O-CB 3.31Å; F8-T12 WeakPolarHBondContact O-CB 3.03Å; F8-T12 PolarHBondContact O-N 3.22Å; F8-T12 PolarHBondContact O-OG1 3.36Å; F9-T12 PolarHBondContact O-N 3.33Å; W10-T12 VanDerWaalsContact C-N 3.3Å; W10-T12 PolarHBondContact O-N 3.16Å; T12-K14 VanDerWaalsContact C-N 3.3Å; T12-K14 PolarHBondContact O-N 3.27Å; T12-N15 WeakPolarHBondContact O-CB 3.48Å; T12-N15 PolarHBondContact O-N 3.14Å; T12-N15 VanDerWaalsContact O-N 3.09Å; T12-I16 HydrophobicContact CG2-CD1 4.19Å; T12-I16 WeakPolarHBondContact O-CG1 3.29Å; T12-I16 PolarHBondContact O-N 3.47Å; T12-I275 HydrophobicContact CG2-CG2 4.4Å |
| 13 | K | 88 | Confident | 80.5 | Confident | 96 Ų | 96 | 59.1 Ų | 59.1 | 42% | 0.417 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -58.5 | -41.5 | 173.9 | -175.9 | 176.6 | 173.7 | -176.6 | 0 | 111.7 | F9 W10 I16 L17 | F9-K13 WeakPolarHBondContact O-CB 3.45Å; F9-K13 PolarHBondContact O-N 3.11Å; W10-K13 HydrophobicContact CE3-CD 3.8Å; W10-K13 HydrophobicContact CH2-CD 4.34Å; W10-K13 VanDerWaalsContact CH2-NZ 3.27Å; W10-K13 HydrophobicContact CZ3-CD 3.7Å; W10-K13 VanDerWaalsContact CZ3-NZ 3.25Å; W10-K13 PolarHBondContact O-N 3.24Å; K13-I16 PolarHBondContact O-N 3.43Å; K13-L17 WeakPolarHBondContact O-CB 3.26Å; K13-L17 PolarHBondContact O-N 2.88Å |
| 14 | K | 88.9 | Confident | 81.1 | Confident | 13 Ų | 13 | 63.9 Ų | 63.9 | 6% | 0.057 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 172.5 | 179.8 | -123.5 | 64.5 | 178.1 | 0 | 111.4 | W10 V11 T12 I16 L17 L18 E250 Y648 L651 L659 | W10-K14 PolarHBondContact O-N 3.37Å; V11-K14 WeakPolarHBondContact O-CB 3.44Å; V11-K14 PolarHBondContact O-N 3.29Å; T12-K14 VanDerWaalsContact C-N 3.3Å; T12-K14 PolarHBondContact O-N 3.27Å; K14-I16 VanDerWaalsContact C-N 3.33Å; K14-I16 PolarHBondContact O-N 2.98Å; K14-L17 PolarHBondContact O-N 2.94Å; K14-L18 HydrophobicContact CD-CD1 4.03Å; K14-L18 HydrophobicContact CG-CD1 4.36Å; K14-L18 WeakPolarHBondContact O-CG 2.96Å; K14-L18 PolarHBondContact O-N 3.33Å; K14-E250 IonicContact NZ-OE1 3.5Å; K14-E250 PolarHBondContact NZ-OE1 3.27Å; K14-Y648 HydrophobicContact CD-CE1 4.12Å; K14-Y648 HydrophobicContact CD-CE2 4.39Å; K14-Y648 WeakPolarHBondContact CD-OH 3.2Å; K14-Y648 PolarHBondContact NZ-OH 3.4Å; K14-L651 HydrophobicContact CG-CD1 4.25Å; K14-L659 HydrophobicContact CB-CD1 4.48Å; K14-L659 HydrophobicContact CD-CD2 4.31Å; K14-L659 HydrophobicContact CG-CD2 4.24Å |
| 15 | N | 85.8 | Confident | 81.6 | Confident | 2 Ų | 2 | 65.8 Ų | 65.8 | 1% | 0.011 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -59.5 | -44.2 | 178.6 | -67.8 | -26.6 | 0 | 0 | 0 | 111.4 | V11 T12 L18 F19 S272 W273 T276 | V11-N15 VanDerWaalsContact O-CG 3.31Å; V11-N15 PolarHBondContact O-N 3.22Å; V11-N15 PolarHBondContact O-ND2 3.05Å; T12-N15 WeakPolarHBondContact O-CB 3.48Å; T12-N15 PolarHBondContact O-N 3.14Å; T12-N15 VanDerWaalsContact O-N 3.09Å; N15-L18 PolarHBondContact O-N 2.91Å; N15-F19 WeakPolarHBondContact O-CB 3.34Å; N15-F19 PolarHBondContact O-N 3.43Å; N15-S272 PolarHBondContact ND2-O 3.23Å; N15-S272 PolarHBondContact ND2-OG 3.22Å; N15-W273 HydrophobicContact CB-CZ3 4.38Å; N15-W273 WeakPolarHBondContact OD1-CZ2 3.2Å; N15-T276 HydrophobicContact CB-CG2 3.76Å; N15-T276 VanDerWaalsContact CB-OG1 3.26Å; N15-T276 WeakPolarHBondContact CB-OG1 3.49Å; N15-T276 PolarHBondContact ND2-OG1 3.05Å |
| 16 | I | 84.6 | Confident | 81.7 | Confident | 78 Ų | 78 | 62 Ų | 62 | 40% | 0.4 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 176.5 | -66.6 | 167.8 | 0 | 0 | 0 | 110.7 | T12 K13 K14 L18 F19 W20 T276 | T12-I16 HydrophobicContact CG2-CD1 4.19Å; T12-I16 WeakPolarHBondContact O-CG1 3.29Å; T12-I16 PolarHBondContact O-N 3.47Å; K13-I16 PolarHBondContact O-N 3.43Å; K14-I16 VanDerWaalsContact C-N 3.33Å; K14-I16 PolarHBondContact O-N 2.98Å; I16-L18 PolarHBondContact O-N 3.48Å; I16-F19 WeakPolarHBondContact O-CB 3.46Å; I16-F19 PolarHBondContact O-N 3.34Å; I16-W20 PolarHBondContact O-N 3.22Å; I16-T276 HydrophobicContact CG1-CG2 3.87Å |
| 17 | L | 84.9 | Confident | 81.9 | Confident | 54 Ų | 54 | 64.3 Ų | 64.3 | 28% | 0.283 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | -179.6 | -171.7 | 124.1 | 0 | 0 | 0 | 112.2 | K13 K14 F19 W20 R21 L651 | K13-L17 WeakPolarHBondContact O-CB 3.26Å; K13-L17 PolarHBondContact O-N 2.88Å; K14-L17 PolarHBondContact O-N 2.94Å; L17-F19 VanDerWaalsContact C-N 3.33Å; L17-W20 PolarHBondContact O-N 2.76Å; L17-R21 WeakPolarHBondContact O-CG 3.38Å; L17-R21 PolarHBondContact O-N 3.29Å; L17-L651 HydrophobicContact CD2-CD2 3.36Å |
| 18 | L | 79.9 | Confident | 81.9 | Confident | 25 Ų | 25 | 68.4 Ų | 68.4 | 13% | 0.131 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -61 | -43.8 | 173.4 | -71.3 | 178.1 | 0 | 0 | 0 | 111.3 | K14 N15 I16 W20 R21 S22 Y648 T650 L651 | K14-L18 HydrophobicContact CD-CD1 4.03Å; K14-L18 HydrophobicContact CG-CD1 4.36Å; K14-L18 WeakPolarHBondContact O-CG 2.96Å; K14-L18 PolarHBondContact O-N 3.33Å; N15-L18 PolarHBondContact O-N 2.91Å; I16-L18 PolarHBondContact O-N 3.48Å; L18-W20 PolarHBondContact O-N 2.66Å; L18-R21 PolarHBondContact O-N 3.43Å; L18-S22 PolarHBondContact O-N 3.47Å; L18-S22 PolarHBondContact O-OG 3.13Å; L18-Y648 HydrophobicContact CD1-CD1 4.21Å; L18-Y648 HydrophobicContact CD1-CE1 4.08Å; L18-T650 VanDerWaalsContact CD2-OG1 3.24Å; L18-T650 WeakPolarHBondContact CD2-OG1 3.45Å; L18-L651 HydrophobicContact CD2-CD2 4.04Å; L18-L651 HydrophobicContact CD2-CG 4.15Å |
| 19 | F | 76 | Confident | 81.9 | Confident | 27 Ų | 27 | 65.6 Ų | 65.6 | 12% | 0.118 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.9 | -47.5 | 177.3 | -175.8 | -98.7 | 0 | 0 | 0 | 111.9 | N15 I16 L17 R21 S22 A26 Y242 V280 | N15-F19 WeakPolarHBondContact O-CB 3.34Å; N15-F19 PolarHBondContact O-N 3.43Å; I16-F19 WeakPolarHBondContact O-CB 3.46Å; I16-F19 PolarHBondContact O-N 3.34Å; L17-F19 VanDerWaalsContact C-N 3.33Å; F19-R21 PolarHBondContact O-N 3.49Å; F19-S22 CarbonylContact O-C 3.51Å; F19-S22 PolarHBondContact O-N 3.43Å; F19-S22 PolarHBondContact O-OG 2.88Å; F19-A26 HydrophobicContact CD1-CB 3.98Å; F19-A26 HydrophobicContact CD2-CB 4.23Å; F19-A26 HydrophobicContact CE1-CB 3.48Å; F19-A26 VanDerWaalsContact CE1-CB 3.48Å; F19-A26 HydrophobicContact CE2-CB 3.75Å; F19-A26 HydrophobicContact CG-CB 4.33Å; F19-A26 HydrophobicContact CZ-CB 3.35Å; F19-Y242 AromaticContact CD2-CE1 3.91Å; F19-Y242 HydrophobicContact CD2-CE1 3.91Å; F19-Y242 AromaticContact CE2-CE1 3.88Å; F19-Y242 HydrophobicContact CE2-CE1 3.88Å; F19-V280 HydrophobicContact CE1-CG2 4.11Å; F19-V280 HydrophobicContact CE2-CG2 3.87Å; F19-V280 HydrophobicContact CZ-CG1 4.34Å; F19-V280 HydrophobicContact CZ-CG2 3.6Å |
| 20 | W | 77.3 | Confident | 81.9 | Confident | 183 Ų | 183 | 60.9 Ų | 60.9 | 69% | 0.693 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -66.5 | -34 | 179.4 | -89.7 | 89.7 | 0 | 0 | 0 | 113.9 | I16 L17 L18 S22 W23 | I16-W20 PolarHBondContact O-N 3.22Å; L17-W20 PolarHBondContact O-N 2.76Å; L18-W20 PolarHBondContact O-N 2.66Å; W20-S22 PolarHBondContact O-N 2.81Å; W20-W23 VanDerWaalsContact O-CB 3.31Å; W20-W23 WeakPolarHBondContact O-CB 3.26Å; W20-W23 PolarHBondContact O-N 2.95Å |
| 21 | R | 80.8 | Confident | 82 | Confident | 79 Ų | 79 | 61.6 Ų | 61.6 | 30% | 0.298 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.1 | -26.5 | 176.8 | -77.9 | -174.3 | 169.8 | 158.7 | 8.9 | 113.1 | L17 L18 F19 W23 T650 E655 | L17-R21 WeakPolarHBondContact O-CG 3.38Å; L17-R21 PolarHBondContact O-N 3.29Å; L18-R21 PolarHBondContact O-N 3.43Å; F19-R21 PolarHBondContact O-N 3.49Å; R21-W23 VanDerWaalsContact C-N 3.29Å; R21-W23 PolarHBondContact O-N 2.9Å; R21-T650 WeakPolarHBondContact CD-O 3.41Å; R21-T650 PolarHBondContact NH1-O 3.28Å; R21-E655 IonicContact CZ-OE1 3.49Å; R21-E655 IonicContact CZ-OE2 2.91Å; R21-E655 IonicContact NH1-OE1 3.55Å; R21-E655 IonicContact NH1-OE2 3.63Å; R21-E655 PolarHBondContact NH1-OE2 2.93Å; R21-E655 VanDerWaalsContact NH2-CD 3.29Å; R21-E655 IonicContact NH2-OE1 3.42Å; R21-E655 PolarHBondContact NH2-OE1 2.91Å; R21-E655 IonicContact NH2-OE2 3.85Å; R21-E655 PolarHBondContact NH2-OE2 2.91Å |
| 22 | S | 77.7 | Confident | 82 | Confident | 30 Ų | 30 | 63 Ų | 63 | 21% | 0.21 | 29% | 0.289 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93 | 38.8 | 168.9 | 51.9 | 0 | 0 | 0 | 0 | 112.4 | L18 F19 W20 F24 Q25 A26 Y242 | L18-S22 PolarHBondContact O-N 3.47Å; L18-S22 PolarHBondContact O-OG 3.13Å; F19-S22 CarbonylContact O-C 3.51Å; F19-S22 PolarHBondContact O-N 3.43Å; F19-S22 PolarHBondContact O-OG 2.88Å; W20-S22 PolarHBondContact O-N 2.81Å; S22-F24 PolarHBondContact O-N 3.35Å; S22-F24 VanDerWaalsContact O-N 3.07Å; S22-Q25 WeakPolarHBondContact O-CA 3.28Å; S22-Q25 WeakPolarHBondContact O-CB 3.48Å; S22-Q25 PolarHBondContact O-N 3.24Å; S22-A26 PolarHBondContact O-N 3.47Å; S22-Y242 PolarHBondContact OG-OH 3.3Å; S22-Y242 VanDerWaalsContact OG-OH 3.06Å |
| 23 | W | 74.8 | Confident | 82 | Confident | 162 Ų | 162 | 62.3 Ų | 62.3 | 61% | 0.614 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -50.2 | -39.7 | -172.2 | 72.7 | -84.4 | 0 | 0 | 0 | 114 | W20 R21 Q25 A26 I27 | W20-W23 VanDerWaalsContact O-CB 3.31Å; W20-W23 WeakPolarHBondContact O-CB 3.26Å; W20-W23 PolarHBondContact O-N 2.95Å; R21-W23 VanDerWaalsContact C-N 3.29Å; R21-W23 PolarHBondContact O-N 2.9Å; W23-Q25 PolarHBondContact O-N 3.34Å; W23-A26 PolarHBondContact O-N 3.44Å; W23-I27 HydrophobicContact CE3-CD1 3.47Å; W23-I27 VanDerWaalsContact CE3-CD1 3.47Å; W23-I27 HydrophobicContact CE3-CG1 4.4Å; W23-I27 HydrophobicContact CZ3-CD1 3.72Å; W23-I27 WeakPolarHBondContact O-CB 3.47Å; W23-I27 VanDerWaalsContact O-CG1 3.32Å; W23-I27 WeakPolarHBondContact O-CG1 3.14Å; W23-I27 PolarHBondContact O-N 2.85Å |
| 24 | F | 77 | Confident | 82.1 | Confident | 144 Ų | 144 | 59.4 Ų | 59.4 | 63% | 0.632 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.2 | -41.7 | 177.4 | -172.8 | -93.4 | 0 | 0 | 0 | 112.2 | S22 F28 | S22-F24 PolarHBondContact O-N 3.35Å; S22-F24 VanDerWaalsContact O-N 3.07Å; F24-F28 VanDerWaalsContact O-CB 3.31Å; F24-F28 WeakPolarHBondContact O-CB 3.27Å; F24-F28 PolarHBondContact O-N 3.43Å |
| 25 | Q | 76.9 | Confident | 82.1 | Confident | 93 Ų | 93 | 63.9 Ų | 63.9 | 44% | 0.435 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.2 | -41 | 176.3 | -63.6 | 179.7 | -1.6 | 0 | 0 | 110.9 | S22 W23 F28 V29 Y242 | S22-Q25 WeakPolarHBondContact O-CA 3.28Å; S22-Q25 WeakPolarHBondContact O-CB 3.48Å; S22-Q25 PolarHBondContact O-N 3.24Å; W23-Q25 PolarHBondContact O-N 3.34Å; Q25-F28 PolarHBondContact O-N 3.15Å; Q25-V29 VanDerWaalsContact O-CG2 3.24Å; Q25-V29 WeakPolarHBondContact O-CG2 3.31Å; Q25-V29 PolarHBondContact O-N 3.43Å; Q25-Y242 HydrophobicContact CB-CE2 4.09Å |
| 26 | A | 75.3 | Confident | 82.1 | Confident | 5 Ų | 5 | 66.1 Ų | 66.1 | 4% | 0.041 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -60.3 | -46.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | F19 S22 W23 F28 V29 I30 | F19-A26 HydrophobicContact CD1-CB 3.98Å; F19-A26 HydrophobicContact CD2-CB 4.23Å; F19-A26 HydrophobicContact CE1-CB 3.48Å; F19-A26 VanDerWaalsContact CE1-CB 3.48Å; F19-A26 HydrophobicContact CE2-CB 3.75Å; F19-A26 HydrophobicContact CG-CB 4.33Å; F19-A26 HydrophobicContact CZ-CB 3.35Å; S22-A26 PolarHBondContact O-N 3.47Å; W23-A26 PolarHBondContact O-N 3.44Å; A26-F28 VanDerWaalsContact C-N 3.34Å; A26-V29 WeakPolarHBondContact O-CB 3.07Å; A26-V29 PolarHBondContact O-N 2.93Å; A26-I30 PolarHBondContact O-N 3.42Å |
| 27 | I | 82.8 | Confident | 82.2 | Confident | 87 Ų | 87 | 62.4 Ų | 62.4 | 45% | 0.446 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 174.5 | -70.9 | -178.8 | 0 | 0 | 0 | 109.9 | W23 V29 I30 V31 | W23-I27 HydrophobicContact CE3-CD1 3.47Å; W23-I27 VanDerWaalsContact CE3-CD1 3.47Å; W23-I27 HydrophobicContact CE3-CG1 4.4Å; W23-I27 HydrophobicContact CZ3-CD1 3.72Å; W23-I27 WeakPolarHBondContact O-CB 3.47Å; W23-I27 VanDerWaalsContact O-CG1 3.32Å; W23-I27 WeakPolarHBondContact O-CG1 3.14Å; W23-I27 PolarHBondContact O-N 2.85Å; I27-V29 VanDerWaalsContact C-N 3.26Å; I27-V29 PolarHBondContact O-N 3.25Å; I27-I30 PolarHBondContact O-N 2.74Å; I27-I30 VanDerWaalsContact O-N 3.09Å; I27-V31 HydrophobicContact CG2-CG2 3.76Å; I27-V31 WeakPolarHBondContact O-CB 3.45Å; I27-V31 VanDerWaalsContact O-CG2 3.25Å; I27-V31 WeakPolarHBondContact O-CG2 3.27Å; I27-V31 PolarHBondContact O-N 3.44Å |
| 28 | F | 81.4 | Confident | 82.3 | Confident | 106 Ų | 106 | 62.2 Ų | 62.2 | 47% | 0.465 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -59.5 | -38.2 | 178.3 | -168 | -99 | 0 | 0 | 0 | 112.1 | F24 Q25 A26 I30 V31 V32 F238 | F24-F28 VanDerWaalsContact O-CB 3.31Å; F24-F28 WeakPolarHBondContact O-CB 3.27Å; F24-F28 PolarHBondContact O-N 3.43Å; Q25-F28 PolarHBondContact O-N 3.15Å; A26-F28 VanDerWaalsContact C-N 3.34Å; F28-I30 VanDerWaalsContact C-N 3.32Å; F28-I30 PolarHBondContact O-N 3.38Å; F28-V31 PolarHBondContact O-N 2.97Å; F28-V32 HydrophobicContact CD1-CG2 3.76Å; F28-V32 HydrophobicContact CD2-CG2 4.26Å; F28-V32 HydrophobicContact CE1-CG2 3.41Å; F28-V32 VanDerWaalsContact CE1-CG2 3.41Å; F28-V32 HydrophobicContact CE2-CG2 3.95Å; F28-V32 HydrophobicContact CG-CG2 4.17Å; F28-V32 HydrophobicContact CZ-CG2 3.52Å; F28-V32 WeakPolarHBondContact O-CB 3.38Å; F28-V32 VanDerWaalsContact O-CG2 3.23Å; F28-V32 WeakPolarHBondContact O-CG2 3.15Å; F28-V32 PolarHBondContact O-N 3.49Å; F28-F238 AromaticContact CD1-CE1 3.65Å; F28-F238 HydrophobicContact CD1-CE1 3.65Å; F28-F238 AromaticContact CD1-CZ 3.51Å; F28-F238 HydrophobicContact CD1-CZ 3.51Å; F28-F238 AromaticContact CE1-CE1 3.98Å; F28-F238 HydrophobicContact CE1-CE1 3.98Å; F28-F238 HydrophobicContact CE1-CE2 4.17Å; F28-F238 AromaticContact CE1-CZ 3.52Å; F28-F238 HydrophobicContact CE1-CZ 3.52Å |
| 29 | V | 84.2 | Confident | 82.6 | Confident | 2 Ų | 2 | 63.9 Ų | 63.9 | 1% | 0.012 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -61.7 | -37.2 | 175.3 | 168.9 | 0 | 0 | 0 | 0 | 112.7 | Q25 A26 I27 P33 F238 P239 Y242 | Q25-V29 VanDerWaalsContact O-CG2 3.24Å; Q25-V29 WeakPolarHBondContact O-CG2 3.31Å; Q25-V29 PolarHBondContact O-N 3.43Å; A26-V29 WeakPolarHBondContact O-CB 3.07Å; A26-V29 PolarHBondContact O-N 2.93Å; I27-V29 VanDerWaalsContact C-N 3.26Å; I27-V29 PolarHBondContact O-N 3.25Å; V29-P33 WeakPolarHBondContact O-CD 3.45Å; V29-P33 WeakPolarHBondContact O-CG 3.11Å; V29-F238 HydrophobicContact CB-CD1 4.47Å; V29-F238 HydrophobicContact CB-CE1 4.25Å; V29-F238 HydrophobicContact CG2-CD1 4.14Å; V29-F238 HydrophobicContact CG2-CE1 3.63Å; V29-P239 HydrophobicContact CG1-CB 3.78Å; V29-P239 HydrophobicContact CG1-CG 3.98Å; V29-Y242 HydrophobicContact CG2-CD1 3.91Å; V29-Y242 HydrophobicContact CG2-CD2 3.88Å; V29-Y242 HydrophobicContact CG2-CE1 4.5Å; V29-Y242 HydrophobicContact CG2-CE2 4.48Å; V29-Y242 HydrophobicContact CG2-CG 3.56Å |
| 30 | I | 86.4 | Confident | 83 | Confident | 30 Ų | 30 | 62.7 Ų | 62.7 | 15% | 0.154 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -80.1 | -38.1 | 177.9 | -61.9 | 170.5 | 0 | 0 | 0 | 111 | A26 I27 F28 P33 L34 V280 I284 F287 | A26-I30 PolarHBondContact O-N 3.42Å; I27-I30 PolarHBondContact O-N 2.74Å; I27-I30 VanDerWaalsContact O-N 3.09Å; F28-I30 VanDerWaalsContact C-N 3.32Å; F28-I30 PolarHBondContact O-N 3.38Å; I30-P33 WeakPolarHBondContact O-CD 3.46Å; I30-L34 HydrophobicContact CG2-CD1 4.14Å; I30-L34 WeakPolarHBondContact O-CG 3.26Å; I30-V280 HydrophobicContact CG1-CG1 4.35Å; I30-I284 HydrophobicContact CB-CG1 4.45Å; I30-I284 HydrophobicContact CG1-CG1 4.23Å; I30-I284 HydrophobicContact CG2-CG1 4.27Å; I30-F287 HydrophobicContact CG2-CD2 4.5Å |
| 31 | V | 87.8 | Confident | 83.4 | Confident | 63 Ų | 63 | 55.2 Ų | 55.2 | 38% | 0.382 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -73.5 | -37.1 | -175.2 | 170.6 | 0 | 0 | 0 | 0 | 112.6 | I27 F28 L34 L35 | I27-V31 HydrophobicContact CG2-CG2 3.76Å; I27-V31 WeakPolarHBondContact O-CB 3.45Å; I27-V31 VanDerWaalsContact O-CG2 3.25Å; I27-V31 WeakPolarHBondContact O-CG2 3.27Å; I27-V31 PolarHBondContact O-N 3.44Å; F28-V31 PolarHBondContact O-N 2.97Å; V31-L34 CarbonylContact O-C 3.6Å; V31-L34 WeakPolarHBondContact O-CB 3.32Å; V31-L34 PolarHBondContact O-N 3.27Å; V31-L34 VanDerWaalsContact O-N 3.13Å; V31-L35 WeakPolarHBondContact O-CB 3.24Å; V31-L35 PolarHBondContact O-N 3.33Å |
| 32 | V | 84.9 | Confident | 83.6 | Confident | 30 Ų | 30 | 57.2 Ų | 57.2 | 18% | 0.182 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.3 | -50.8 | -178.1 | 166.1 | 0 | 0 | 0 | 0 | 113.1 | F28 L34 L35 L36 F238 | F28-V32 HydrophobicContact CD1-CG2 3.76Å; F28-V32 HydrophobicContact CD2-CG2 4.26Å; F28-V32 HydrophobicContact CE1-CG2 3.41Å; F28-V32 VanDerWaalsContact CE1-CG2 3.41Å; F28-V32 HydrophobicContact CE2-CG2 3.95Å; F28-V32 HydrophobicContact CG-CG2 4.17Å; F28-V32 HydrophobicContact CZ-CG2 3.52Å; F28-V32 WeakPolarHBondContact O-CB 3.38Å; F28-V32 VanDerWaalsContact O-CG2 3.23Å; F28-V32 WeakPolarHBondContact O-CG2 3.15Å; F28-V32 PolarHBondContact O-N 3.49Å; V32-L34 VanDerWaalsContact C-N 3.27Å; V32-L34 PolarHBondContact O-N 3.48Å; V32-L35 PolarHBondContact O-N 3.45Å; V32-L36 HydrophobicContact CG1-CD1 4.42Å; V32-L36 PolarHBondContact O-N 3.32Å; V32-L36 VanDerWaalsContact O-N 3.07Å; V32-F238 HydrophobicContact CB-CD1 4.2Å; V32-F238 HydrophobicContact CG1-CB 4.26Å; V32-F238 HydrophobicContact CG1-CD1 4.32Å; V32-F238 HydrophobicContact CG1-CG 4.21Å; V32-F238 HydrophobicContact CG2-CD1 4.44Å; V32-F238 HydrophobicContact CG2-CE1 4.38Å |
| 33 | P | 87.3 | Confident | 83.9 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.6 | -40.9 | 174.2 | -17 | 20.9 | 0 | 0 | 0 | 112.8 | V29 I30 L36 V37 G235 P239 I284 | V29-P33 WeakPolarHBondContact O-CD 3.45Å; V29-P33 WeakPolarHBondContact O-CG 3.11Å; I30-P33 WeakPolarHBondContact O-CD 3.46Å; P33-L36 PolarHBondContact O-N 3.23Å; P33-V37 PolarHBondContact O-N 2.85Å; P33-G235 WeakPolarHBondContact CG-O 3.44Å; P33-P239 HydrophobicContact CG-CG 3.98Å; P33-I284 HydrophobicContact CB-CG2 4.1Å; P33-I284 HydrophobicContact CG-CD1 4.4Å; P33-I284 HydrophobicContact CG-CG2 4.18Å |
| 34 | L | 90.3 | Very high | 84.4 | Confident | 34 Ų | 34 | 51.9 Ų | 51.9 | 18% | 0.178 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -68.4 | -37 | -179.9 | -60.2 | 174.6 | 0 | 0 | 0 | 112 | I30 V31 V32 V37 S38 F287 L288 L291 | I30-L34 HydrophobicContact CG2-CD1 4.14Å; I30-L34 WeakPolarHBondContact O-CG 3.26Å; V31-L34 CarbonylContact O-C 3.6Å; V31-L34 WeakPolarHBondContact O-CB 3.32Å; V31-L34 PolarHBondContact O-N 3.27Å; V31-L34 VanDerWaalsContact O-N 3.13Å; V32-L34 VanDerWaalsContact C-N 3.27Å; V32-L34 PolarHBondContact O-N 3.48Å; L34-V37 PolarHBondContact O-N 3.39Å; L34-S38 VanDerWaalsContact O-CB 3.32Å; L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.26Å; L34-F287 HydrophobicContact CD1-CB 4.03Å; L34-F287 HydrophobicContact CD1-CG 4.38Å; L34-F287 HydrophobicContact CD2-CB 3.5Å; L34-F287 VanDerWaalsContact CD2-CB 3.5Å; L34-F287 HydrophobicContact CG-CB 4.4Å; L34-L288 HydrophobicContact CD2-CD2 3.94Å; L34-L288 HydrophobicContact CD2-CG 4.02Å; L34-L291 HydrophobicContact CB-CD1 4.11Å; L34-L291 HydrophobicContact CD2-CD1 3.59Å; L34-L291 HydrophobicContact CG-CD1 4.44Å |
| 35 | L | 88.1 | Confident | 84.7 | Confident | 108 Ų | 108 | 46.5 Ų | 46.5 | 57% | 0.565 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -68.8 | -37.8 | 177.9 | -164.2 | 154.9 | 0 | 0 | 0 | 111.3 | V31 V32 S38 | V31-L35 WeakPolarHBondContact O-CB 3.24Å; V31-L35 PolarHBondContact O-N 3.33Å; V32-L35 PolarHBondContact O-N 3.45Å; L35-S38 PolarHBondContact O-N 3.41Å; L35-S38 PolarHBondContact O-OG 3.34Å |
| 36 | L | 86.5 | Confident | 85 | Confident | 48 Ų | 48 | 51 Ų | 51 | 25% | 0.251 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -42.6 | 174.5 | -73.3 | 170.1 | 0 | 0 | 0 | 111.7 | V32 P33 V39 M231 L234 | V32-L36 HydrophobicContact CG1-CD1 4.42Å; V32-L36 PolarHBondContact O-N 3.32Å; V32-L36 VanDerWaalsContact O-N 3.07Å; P33-L36 PolarHBondContact O-N 3.23Å; L36-V39 WeakPolarHBondContact O-CB 3.44Å; L36-M231 HydrophobicContact CB-SD 4.28Å; L36-M231 HydrophobicContact CD2-SD 4.3Å; L36-L234 HydrophobicContact CD1-CB 4.06Å |
| 37 | V | 86.2 | Confident | 85.1 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.006 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -78.4 | -25.6 | 179.3 | 175.6 | 0 | 0 | 0 | 0 | 112.6 | P33 L34 V39 L40 V41 L232 L288 L291 L292 | P33-V37 PolarHBondContact O-N 2.85Å; L34-V37 PolarHBondContact O-N 3.39Å; V37-V39 PolarHBondContact O-N 2.98Å; V37-L40 WeakPolarHBondContact O-CA 3.34Å; V37-L40 VanDerWaalsContact O-CB 3.3Å; V37-L40 WeakPolarHBondContact O-CB 3.44Å; V37-L40 PolarHBondContact O-N 3.24Å; V37-V41 PolarHBondContact O-N 3.28Å; V37-L232 HydrophobicContact CG2-CD2 3.85Å; V37-L288 HydrophobicContact CB-CD2 3.78Å; V37-L288 HydrophobicContact CG1-CD2 4.13Å; V37-L288 HydrophobicContact CG2-CD2 3.56Å; V37-L291 HydrophobicContact CG1-CB 4.44Å; V37-L292 HydrophobicContact CG1-CD2 3.96Å; V37-L292 HydrophobicContact CG1-CG 4.38Å |
| 38 | S | 86 | Confident | 84.8 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 34% | 0.343 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.2 | -23.3 | 175.1 | 74.3 | 0 | 0 | 0 | 0 | 112.8 | L34 L35 L40 V41 F42 | L34-S38 VanDerWaalsContact O-CB 3.32Å; L34-S38 WeakPolarHBondContact O-CB 3.46Å; L34-S38 PolarHBondContact O-N 3.26Å; L35-S38 PolarHBondContact O-N 3.41Å; L35-S38 PolarHBondContact O-OG 3.34Å; S38-L40 PolarHBondContact O-N 3.13Å; S38-V41 WeakPolarHBondContact O-CB 3.33Å; S38-V41 PolarHBondContact O-N 2.68Å; S38-V41 VanDerWaalsContact O-N 3.08Å; S38-F42 PolarHBondContact O-N 3.33Å |
| 39 | V | 86 | Confident | 84.6 | Confident | 61 Ų | 61 | 53 Ų | 53 | 37% | 0.37 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -57.6 | -38.5 | 168.6 | 179.7 | 0 | 0 | 0 | 0 | 110.9 | L36 V37 F42 L43 | L36-V39 WeakPolarHBondContact O-CB 3.44Å; V37-V39 PolarHBondContact O-N 2.98Å; V39-F42 WeakPolarHBondContact O-CB 3.19Å; V39-F42 PolarHBondContact O-N 3.19Å; V39-L43 HydrophobicContact CG1-CD1 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.33Å; V39-L43 PolarHBondContact O-N 3.49Å |
| 40 | L | 85.7 | Confident | 84.4 | Confident | 2 Ų | 2 | 58.1 Ų | 58.1 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 175.5 | -62.7 | 175.8 | 0 | 0 | 0 | 111.7 | V37 S38 F42 L43 R44 F220 V223 Q227 L228 M231 I302 | V37-L40 WeakPolarHBondContact O-CA 3.34Å; V37-L40 VanDerWaalsContact O-CB 3.3Å; V37-L40 WeakPolarHBondContact O-CB 3.44Å; V37-L40 PolarHBondContact O-N 3.24Å; S38-L40 PolarHBondContact O-N 3.13Å; L40-F42 VanDerWaalsContact C-N 3.33Å; L40-L43 HydrophobicContact CD2-CD1 4.39Å; L40-L43 PolarHBondContact O-N 3.33Å; L40-R44 VanDerWaalsContact O-CB 3.32Å; L40-R44 WeakPolarHBondContact O-CB 2.86Å; L40-R44 PolarHBondContact O-N 2.63Å; L40-F220 HydrophobicContact CB-CZ 4.35Å; L40-F220 VanDerWaalsContact O-CZ 3.28Å; L40-F220 WeakPolarHBondContact O-CZ 3.37Å; L40-V223 HydrophobicContact CD2-CG1 4.09Å; L40-Q227 HydrophobicContact CD2-CB 4.38Å; L40-Q227 HydrophobicContact CD2-CG 4.2Å; L40-L228 HydrophobicContact CD1-CD1 3.74Å; L40-M231 HydrophobicContact CD1-CB 4.43Å; L40-I302 HydrophobicContact CB-CD1 3.87Å |
| 41 | V | 85.5 | Confident | 84 | Confident | 25 Ų | 25 | 60.7 Ų | 60.7 | 15% | 0.152 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64 | -41.6 | 174.2 | -178.4 | 0 | 0 | 0 | 0 | 110.5 | V37 S38 R44 G45 L291 L296 I302 | V37-V41 PolarHBondContact O-N 3.28Å; S38-V41 WeakPolarHBondContact O-CB 3.33Å; S38-V41 PolarHBondContact O-N 2.68Å; S38-V41 VanDerWaalsContact O-N 3.08Å; V41-R44 WeakPolarHBondContact O-CB 3.43Å; V41-R44 PolarHBondContact O-N 2.79Å; V41-G45 PolarHBondContact O-N 2.89Å; V41-G45 VanDerWaalsContact O-N 3.1Å; V41-L291 HydrophobicContact CG2-CD2 4.5Å; V41-L296 HydrophobicContact CG1-CB 3.95Å; V41-I302 HydrophobicContact CG2-CD1 3.78Å |
| 42 | F | 84.8 | Confident | 83.7 | Confident | 122 Ų | 122 | 59.2 Ų | 59.2 | 54% | 0.535 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -62.7 | -46.7 | 174.6 | 177.1 | -97.4 | 0 | 0 | 0 | 111.9 | S38 V39 L40 R44 G45 R46 | S38-F42 PolarHBondContact O-N 3.33Å; V39-F42 WeakPolarHBondContact O-CB 3.19Å; V39-F42 PolarHBondContact O-N 3.19Å; L40-F42 VanDerWaalsContact C-N 3.33Å; F42-R44 VanDerWaalsContact C-N 3.3Å; F42-R44 PolarHBondContact O-N 3.37Å; F42-G45 PolarHBondContact O-N 3.47Å; F42-R46 PolarHBondContact O-N 3.06Å |
| 43 | L | 84 | Confident | 83.5 | Confident | 70 Ų | 70 | 64.5 Ų | 64.5 | 37% | 0.366 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.5 | -37.7 | 176.3 | -69.6 | 173.3 | 0 | 0 | 0 | 111.6 | V39 L40 G45 R46 A47 F220 V223 | V39-L43 HydrophobicContact CG1-CD1 4.29Å; V39-L43 WeakPolarHBondContact O-CG 3.33Å; V39-L43 PolarHBondContact O-N 3.49Å; L40-L43 HydrophobicContact CD2-CD1 4.39Å; L40-L43 PolarHBondContact O-N 3.33Å; L43-G45 VanDerWaalsContact C-N 3.32Å; L43-G45 PolarHBondContact O-N 3.2Å; L43-R46 PolarHBondContact O-N 3.34Å; L43-R46 VanDerWaalsContact O-N 3.1Å; L43-A47 PolarHBondContact O-N 2.92Å; L43-A47 VanDerWaalsContact O-N 3.13Å; L43-F220 HydrophobicContact CB-CE2 3.72Å; L43-F220 HydrophobicContact CB-CZ 4.48Å; L43-V223 HydrophobicContact CD1-CG1 4.26Å |
| 44 | R | 85.3 | Confident | 83.3 | Confident | 9 Ų | 9 | 72 Ų | 72 | 3% | 0.034 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -60.7 | -41.4 | 175.9 | -179.6 | 57.1 | 171.5 | 167.3 | -14.3 | 111.8 | L40 V41 F42 R46 A47 D218 F220 S297 P301 I302 | L40-R44 VanDerWaalsContact O-CB 3.32Å; L40-R44 WeakPolarHBondContact O-CB 2.86Å; L40-R44 PolarHBondContact O-N 2.63Å; V41-R44 WeakPolarHBondContact O-CB 3.43Å; V41-R44 PolarHBondContact O-N 2.79Å; F42-R44 VanDerWaalsContact C-N 3.3Å; F42-R44 PolarHBondContact O-N 3.37Å; R44-R46 PolarHBondContact O-N 2.94Å; R44-A47 PolarHBondContact O-N 3.02Å; R44-D218 IonicContact CZ-OD1 3.57Å; R44-D218 IonicContact CZ-OD2 2.78Å; R44-D218 IonicContact NH1-OD1 3.51Å; R44-D218 PolarHBondContact NH1-OD1 3.28Å; R44-D218 IonicContact NH1-OD2 2.73Å; R44-D218 PolarHBondContact NH1-OD2 2.83Å; R44-D218 IonicContact NH2-OD2 3.86Å; R44-D218 PolarHBondContact NH2-OD2 3.47Å; R44-F220 HydrophobicContact CB-CD1 4.43Å; R44-F220 HydrophobicContact CB-CD2 4.33Å; R44-F220 HydrophobicContact CB-CE1 4.03Å; R44-F220 HydrophobicContact CB-CE2 3.94Å; R44-F220 HydrophobicContact CB-CZ 3.78Å; R44-F220 HydrophobicContact CG-CD1 4.49Å; R44-F220 HydrophobicContact CG-CE1 4.44Å; R44-F220 VanDerWaalsContact N-CE2 3.28Å; R44-S297 WeakPolarHBondContact CG-OG 3.47Å; R44-P301 PolarHBondContact NE-O 3.39Å; R44-P301 PolarHBondContact NH2-O 3.47Å; R44-I302 HydrophobicContact CB-CG1 4.23Å; R44-I302 HydrophobicContact CG-CG1 4.35Å |
| 45 | G | 83.1 | Confident | 82.9 | Confident | 32 Ų | 32 | 73.6 Ų | 73.6 | 33% | 0.33 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -64.8 | -18.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | V41 F42 L43 N299 | V41-G45 PolarHBondContact O-N 2.89Å; V41-G45 VanDerWaalsContact O-N 3.1Å; F42-G45 PolarHBondContact O-N 3.47Å; L43-G45 VanDerWaalsContact C-N 3.32Å; L43-G45 PolarHBondContact O-N 3.2Å; G45-N299 PolarHBondContact O-ND2 3.4Å |
| 46 | R | 82.5 | Confident | 82.8 | Confident | 188 Ų | 188 | 71.1 Ų | 71.1 | 71% | 0.709 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -97.5 | -15.2 | 175.7 | -63.5 | -62.1 | -179.1 | 91.8 | -2.3 | 113.6 | F42 L43 R44 | F42-R46 PolarHBondContact O-N 3.06Å; L43-R46 PolarHBondContact O-N 3.34Å; L43-R46 VanDerWaalsContact O-N 3.1Å; R44-R46 PolarHBondContact O-N 2.94Å |
| 47 | A | 79.1 | Confident | 82.8 | Confident | 17 Ų | 17 | 73.2 Ų | 73.2 | 14% | 0.14 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -82 | 135.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L43 R44 F220 N299 | L43-A47 PolarHBondContact O-N 2.92Å; L43-A47 VanDerWaalsContact O-N 3.13Å; R44-A47 PolarHBondContact O-N 3.02Å; A47-F220 HydrophobicContact CB-CB 3.86Å; A47-F220 HydrophobicContact CB-CD2 3.79Å; A47-F220 HydrophobicContact CB-CG 4.22Å; A47-N299 PolarHBondContact O-ND2 2.73Å |
| 48 | T | 75.2 | Confident | 82.8 | Confident | 104 Ų | 104 | 74.2 Ų | 74.2 | 64% | 0.638 | 38% | 0.384 | S | S | * | . | trans | -80.6 | 133.6 | 178.8 | 53.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 49 | R | 77.5 | Confident | 82.8 | Confident | 119 Ų | 119 | 75.5 Ų | 75.5 | 45% | 0.449 | 39% | 0.393 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 116.3 | 174.1 | -175.8 | -178.6 | 178.7 | -166.5 | -0.5 | 109.3 | I216 K217 | R49-I216 HydrophobicContact CG-CG2 4.09Å; R49-K217 WeakPolarHBondContact CA-O 3.31Å |
| 50 | E | 80.4 | Confident | 82.8 | Confident | 108 Ų | 108 | 75.3 Ų | 75.3 | 51% | 0.505 | 40% | 0.395 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 130.8 | -177.7 | -172.8 | -175.2 | -179 | 0 | 0 | 110 | V52 K217 | E50-V52 HydrophobicContact CG-CG2 4.47Å; E50-K217 HydrophobicContact CB-CB 4.26Å; E50-K217 PolarHBondContact N-O 2.96Å; E50-K217 PolarHBondContact O-N 3.5Å |
| 51 | V | 78.4 | Confident | 82.8 | Confident | 85 Ų | 85 | 76 Ų | 76 | 52% | 0.515 | 40% | 0.398 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 117.2 | 178.9 | -177.6 | 0 | 0 | 0 | 0 | 108.9 | L53 I216 | V51-L53 HydrophobicContact CG1-CD2 3.94Å; V51-L53 HydrophobicContact CG1-CG 4.18Å; V51-I216 HydrophobicContact CG2-CG1 4.49Å |
| 52 | V | 80.9 | Confident | 82.6 | Confident | 31 Ų | 31 | 79.5 Ų | 79.5 | 19% | 0.188 | 41% | 0.408 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 103.2 | 179.7 | -176.1 | 0 | 0 | 0 | 0 | 108.8 | E50 P214 Y215 | E50-V52 HydrophobicContact CG-CG2 4.47Å; V52-P214 WeakPolarHBondContact O-CA 3.41Å; V52-P214 WeakPolarHBondContact O-CB 3.48Å; V52-Y215 HydrophobicContact CB-CD1 4.21Å; V52-Y215 HydrophobicContact CB-CE1 3.89Å; V52-Y215 HydrophobicContact CB-CE2 4.46Å; V52-Y215 HydrophobicContact CG1-CD1 4.48Å; V52-Y215 HydrophobicContact CG1-CE1 3.93Å; V52-Y215 HydrophobicContact CG2-CE1 4.21Å; V52-Y215 HydrophobicContact CG2-CE2 4.11Å; V52-Y215 PolarHBondContact N-O 3.48Å; V52-Y215 PolarHBondContact O-N 2.93Å |
| 53 | L | 80 | Confident | 82.2 | Confident | 141 Ų | 141 | 74 Ų | 74 | 74% | 0.738 | 38% | 0.384 | S | S | * | . | trans | -83.5 | -21.2 | -172.8 | -67.9 | 170.8 | 0 | 0 | 0 | 114.3 | V51 P214 | V51-L53 HydrophobicContact CG1-CD2 3.94Å; V51-L53 HydrophobicContact CG1-CG 4.18Å; L53-P214 WeakPolarHBondContact O-CB 3.41Å; L53-P214 VanDerWaalsContact O-CG 3.24Å; L53-P214 WeakPolarHBondContact O-CG 3.45Å | ||
| 54 | Q | 83.1 | Confident | 81.6 | Confident | 158 Ų | 158 | 73.6 Ų | 73.6 | 74% | 0.738 | 38% | 0.383 | S | S | * | . | S | Bend | trans | -96 | 139.5 | -179.6 | -67.6 | -174.3 | -8.8 | 0 | 0 | 111 | ||
| 55 | P | 82.9 | Confident | 80.7 | Confident | 67 Ų | 67 | 76.6 Ų | 76.6 | 44% | 0.435 | 41% | 0.405 | S | S | . | . | P | Polyproline II helix | trans | -64.8 | 137.6 | 174 | 27.1 | -32.4 | 0 | 0 | 0 | 110.5 | F212 L1030 | P55-F212 CarbonylContact C-O 3.51Å; P55-F212 VanDerWaalsContact CA-O 3.27Å; P55-F212 WeakPolarHBondContact CA-O 3.41Å; P55-L1030 HydrophobicContact CB-CD1 3.85Å; P55-L1030 HydrophobicContact CG-CD1 4.29Å |
| 56 | L | 86.2 | Confident | 79.6 | Confident | 56 Ų | 56 | 78.6 Ų | 78.6 | 29% | 0.293 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -84.8 | 116.2 | 176 | -79.3 | 163.5 | 0 | 0 | 0 | 109.3 | W58 P162 P211 F212 Y215 | L56-W58 HydrophobicContact CB-CH2 3.96Å; L56-W58 HydrophobicContact CB-CZ2 4.17Å; L56-W58 HydrophobicContact CB-CZ3 4.3Å; L56-W58 HydrophobicContact CD1-CZ2 4.43Å; L56-W58 WeakPolarHBondContact O-CZ3 3.32Å; L56-P162 HydrophobicContact CD1-CG 3.71Å; L56-P211 CarbonylContact O-C 3.48Å; L56-P211 VanDerWaalsContact O-CA 3.29Å; L56-P211 WeakPolarHBondContact O-CA 3.44Å; L56-F212 HydrophobicContact CB-CB 4.33Å; L56-F212 PolarHBondContact N-O 3.24Å; L56-F212 PolarHBondContact O-N 3.22Å; L56-Y215 HydrophobicContact CD1-CE1 3.49Å; L56-Y215 VanDerWaalsContact CD1-CE1 3.49Å; L56-Y215 HydrophobicContact CG-CE1 4.41Å |
| 57 | N | 86.6 | Confident | 78.7 | Confident | 92 Ų | 92 | 73.3 Ų | 73.3 | 49% | 0.492 | 41% | 0.408 | S | S | . | . | trans | -109.5 | 136.4 | 171.4 | -158.4 | -0.7 | 0 | 0 | 0 | 109.9 | ||||
| 58 | W | 86.2 | Confident | 78.1 | Confident | 22 Ų | 22 | 81.6 Ų | 81.6 | 8% | 0.083 | 44% | 0.437 | C | S | . | . | trans | -106.6 | 145.3 | -178.9 | -70.4 | -87.4 | 0 | 0 | 0 | 110.8 | L56 P162 K165 Q208 R209 M210 F212 | L56-W58 HydrophobicContact CB-CH2 3.96Å; L56-W58 HydrophobicContact CB-CZ2 4.17Å; L56-W58 HydrophobicContact CB-CZ3 4.3Å; L56-W58 HydrophobicContact CD1-CZ2 4.43Å; L56-W58 WeakPolarHBondContact O-CZ3 3.32Å; W58-P162 HydrophobicContact CH2-CB 4.01Å; W58-P162 HydrophobicContact CH2-CG 4.37Å; W58-P162 HydrophobicContact CZ2-CB 4.2Å; W58-P162 HydrophobicContact CZ2-CG 4.35Å; W58-K165 PolarHBondContact NE1-O 3.32Å; W58-Q208 PolarHBondContact O-NE2 2.98Å; W58-Q208 VanDerWaalsContact O-NE2 3.07Å; W58-R209 HydrophobicContact CB-CB 4.05Å; W58-R209 HydrophobicContact CD2-CB 4.21Å; W58-R209 HydrophobicContact CD2-CG 4.1Å; W58-R209 HydrophobicContact CE3-CB 4.08Å; W58-R209 HydrophobicContact CE3-CG 3.73Å; W58-R209 HydrophobicContact CG-CB 4.22Å; W58-R209 VanDerWaalsContact CZ2-NH1 3.3Å; W58-R209 HydrophobicContact CZ3-CG 4.13Å; W58-M210 WeakPolarHBondContact CZ3-O 3.42Å; W58-F212 HydrophobicContact CH2-CB 3.54Å; W58-F212 HydrophobicContact CH2-CG 4.43Å; W58-F212 HydrophobicContact CZ3-CB 3.67Å | ||
| 59 | S | 86.3 | Confident | 78.1 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 53% | 0.531 | 41% | 0.412 | S | S | . | . | trans | -71.3 | 145.5 | 176.3 | 54.3 | 0 | 0 | 0 | 0 | 111.7 | I167 | S59-I167 VanDerWaalsContact O-CG2 3.24Å; S59-I167 WeakPolarHBondContact O-CG2 3.15Å | ||
| 60 | S | 85.6 | Confident | 77.9 | Confident | 58 Ų | 58 | 77.3 Ų | 77.3 | 41% | 0.406 | 43% | 0.426 | S | S | . | . | trans | -71.5 | 141 | 174.5 | 74.3 | 0 | 0 | 0 | 0 | 110.7 | V206 L207 | S60-V206 VanDerWaalsContact CB-CG1 3.46Å; S60-L207 CarbonylContact C-O 3.55Å; S60-L207 WeakPolarHBondContact CA-O 3.48Å | ||
| 61 | F | 85.6 | Confident | 77.9 | Confident | 16 Ų | 16 | 74.2 Ų | 74.2 | 7% | 0.07 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 147.4 | 176 | 66.9 | -84.1 | 0 | 0 | 0 | 111.9 | I167 A168 K175 L179 V206 L207 F1068 | F61-I167 HydrophobicContact CD1-CG2 3.5Å; F61-I167 VanDerWaalsContact CD1-CG2 3.5Å; F61-I167 HydrophobicContact CE1-CG2 3.97Å; F61-I167 HydrophobicContact CG-CG2 4.46Å; F61-A168 HydrophobicContact CE1-CB 4.45Å; F61-A168 HydrophobicContact CZ-CB 4.19Å; F61-K175 HydrophobicContact CD2-CD 4.28Å; F61-K175 HydrophobicContact CD2-CG 4.07Å; F61-K175 HydrophobicContact CE2-CG 3.98Å; F61-L179 HydrophobicContact CE2-CD1 4.26Å; F61-L179 HydrophobicContact CZ-CD1 4.31Å; F61-V206 WeakPolarHBondContact O-CG1 3.17Å; F61-L207 HydrophobicContact CD1-CB 4.39Å; F61-L207 WeakPolarHBondContact CD1-O 3.19Å; F61-L207 HydrophobicContact CD2-CB 4.49Å; F61-L207 HydrophobicContact CE1-CB 3.84Å; F61-L207 HydrophobicContact CE2-CB 3.94Å; F61-L207 HydrophobicContact CE2-CD1 3.99Å; F61-L207 HydrophobicContact CZ-CB 3.58Å; F61-L207 HydrophobicContact CZ-CD1 3.94Å; F61-L207 HydrophobicContact CZ-CG 4.41Å; F61-L207 PolarHBondContact N-O 3.27Å; F61-L207 PolarHBondContact O-N 3.06Å; F61-F1068 AromaticContact CE1-CE1 3.93Å; F61-F1068 HydrophobicContact CE1-CE1 3.93Å; F61-F1068 HydrophobicContact CE1-CZ 4.01Å; F61-F1068 HydrophobicContact CZ-CE1 4.23Å; F61-F1068 HydrophobicContact CZ-CZ 4.37Å |
| 62 | R | 81 | Confident | 78.2 | Confident | 99 Ų | 99 | 76.1 Ų | 76.1 | 37% | 0.374 | 41% | 0.413 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 140.9 | 177.1 | -79.3 | -171.6 | 86.9 | 163.6 | 5.7 | 110.3 | D64 S65 V206 | R62-D64 VanDerWaalsContact CB-OD1 3.3Å; R62-D64 WeakPolarHBondContact CB-OD1 3.4Å; R62-D64 IonicContact CZ-OD1 2.82Å; R62-D64 IonicContact CZ-OD2 3.52Å; R62-D64 IonicContact NE-OD1 2.76Å; R62-D64 PolarHBondContact NE-OD1 3.18Å; R62-D64 IonicContact NE-OD2 3.32Å; R62-D64 IonicContact NH2-OD1 3.4Å; R62-D64 IonicContact NH2-OD2 2.83Å; R62-D64 PolarHBondContact NH2-OD2 3.25Å; R62-S65 PolarHBondContact O-OG 3.47Å; R62-V206 HydrophobicContact CG-CG1 4.44Å; R62-V206 HydrophobicContact CG-CG2 4.19Å |
| 63 | V | 76.8 | Confident | 78.6 | Confident | 6 Ų | 6 | 77.8 Ų | 77.8 | 4% | 0.036 | 42% | 0.416 | C | S | . | . | S | Bend | trans | -83.4 | -24 | 176.4 | -169.9 | 0 | 0 | 0 | 0 | 111.1 | L179 Y183 L207 L1080 | V63-L179 HydrophobicContact CG1-CB 4.2Å; V63-L179 WeakPolarHBondContact CG1-O 3.43Å; V63-Y183 HydrophobicContact CB-CG 4.34Å; V63-Y183 HydrophobicContact CG1-CD1 4.3Å; V63-Y183 HydrophobicContact CG1-CG 3.97Å; V63-L207 HydrophobicContact CG2-CD1 3.58Å; V63-L207 HydrophobicContact CG2-CG 3.85Å; V63-L1080 HydrophobicContact CG1-CD2 4.45Å; V63-L1080 HydrophobicContact CG2-CD1 4.34Å |
| 64 | D | 71.5 | Confident | 79.1 | Confident | 62 Ų | 62 | 71.1 Ų | 71.1 | 33% | 0.332 | 38% | 0.381 | S | S | . | . | trans | -89.7 | 5.6 | -178.4 | 63 | -25.9 | 0 | 0 | 0 | 114.4 | R62 G66 Y183 | R62-D64 VanDerWaalsContact CB-OD1 3.3Å; R62-D64 WeakPolarHBondContact CB-OD1 3.4Å; R62-D64 IonicContact CZ-OD1 2.82Å; R62-D64 IonicContact CZ-OD2 3.52Å; R62-D64 IonicContact NE-OD1 2.76Å; R62-D64 PolarHBondContact NE-OD1 3.18Å; R62-D64 IonicContact NE-OD2 3.32Å; R62-D64 IonicContact NH2-OD1 3.4Å; R62-D64 IonicContact NH2-OD2 2.83Å; R62-D64 PolarHBondContact NH2-OD2 3.25Å; D64-G66 PolarHBondContact O-N 3.46Å; D64-Y183 HydrophobicContact CB-CE1 4.03Å | ||
| 65 | S | 66.3 | Low | 79.5 | Confident | 72 Ų | 72 | 63.6 Ų | 63.6 | 50% | 0.503 | 35% | 0.346 | S | S | . | . | S | Bend | trans | -68.5 | 114.9 | 175.3 | 53.6 | 0 | 0 | 0 | 0 | 109.4 | R62 F67 | R62-S65 PolarHBondContact O-OG 3.47Å; S65-F67 PolarHBondContact O-N 3.48Å |
| 66 | G | 59.1 | Low | 79.9 | Confident | 74 Ų | 74 | 60.6 Ų | 60.6 | 76% | 0.763 | 33% | 0.327 | S | S | * | . | trans | -44.9 | 90 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | D64 | D64-G66 PolarHBondContact O-N 3.46Š| ||
| 67 | F | 64.6 | Low | 80.1 | Confident | 77 Ų | 77 | 58 Ų | 58 | 34% | 0.338 | 31% | 0.313 | S | S | . | . | trans | -91.4 | 129 | 178 | -175.7 | -97.9 | 0 | 0 | 0 | 108.4 | S65 F69 E176 V180 | S65-F67 PolarHBondContact O-N 3.48Å; F67-F69 HydrophobicContact CD1-CD1 4.49Å; F67-F69 HydrophobicContact CE1-CD1 4.41Å; F67-E176 WeakPolarHBondContact CD1-O 3.43Å; F67-E176 HydrophobicContact CD2-CB 4.49Å; F67-E176 HydrophobicContact CD2-CG 4.46Å; F67-E176 HydrophobicContact CE1-CB 3.92Å; F67-E176 WeakPolarHBondContact CE1-O 3.37Å; F67-E176 HydrophobicContact CE2-CB 3.79Å; F67-E176 HydrophobicContact CE2-CG 3.71Å; F67-E176 HydrophobicContact CZ-CB 3.48Å; F67-E176 VanDerWaalsContact CZ-CB 3.48Å; F67-E176 HydrophobicContact CZ-CG 3.89Å; F67-V180 HydrophobicContact CB-CG2 4.48Å | ||
| 68 | Y | 66.6 | Low | 80.2 | Confident | 191 Ų | 191 | 55.2 Ų | 55.2 | 75% | 0.749 | 30% | 0.3 | S | S | * | . | trans | -90.3 | 113.2 | 176.2 | -73.7 | -84.7 | 0 | 0 | 0 | 109.1 | ||||
| 69 | F | 73.8 | Confident | 80.3 | Confident | 24 Ų | 24 | 57.8 Ų | 57.8 | 11% | 0.105 | 32% | 0.315 | C | S | . | . | trans | -65.7 | 135.1 | 168.8 | -66.9 | -85.5 | 0 | 0 | 0 | 109.6 | F67 H71 T94 L96 L122 V180 | F67-F69 HydrophobicContact CD1-CD1 4.49Å; F67-F69 HydrophobicContact CE1-CD1 4.41Å; F69-H71 PolarHBondContact O-N 3.47Å; F69-T94 WeakPolarHBondContact CD2-O 3.47Å; F69-T94 HydrophobicContact CE2-CG2 3.78Å; F69-T94 HydrophobicContact CZ-CG2 4.39Å; F69-L96 HydrophobicContact CB-CD1 4.49Å; F69-L96 HydrophobicContact CB-CD2 3.81Å; F69-L96 HydrophobicContact CB-CG 4.27Å; F69-L96 HydrophobicContact CD1-CD1 4.13Å; F69-L96 HydrophobicContact CD2-CD1 3.87Å; F69-L96 HydrophobicContact CD2-CD2 4.49Å; F69-L96 HydrophobicContact CD2-CG 4.01Å; F69-L96 HydrophobicContact CE1-CD1 4.27Å; F69-L96 HydrophobicContact CE2-CD1 4.06Å; F69-L96 HydrophobicContact CG-CD1 3.9Å; F69-L96 HydrophobicContact CG-CD2 4.14Å; F69-L96 HydrophobicContact CG-CG 4.11Å; F69-L96 HydrophobicContact CZ-CD1 4.25Å; F69-L122 HydrophobicContact CD1-CD1 4.46Å; F69-L122 HydrophobicContact CD1-CD2 3.58Å; F69-L122 HydrophobicContact CE1-CD2 3.59Å; F69-V180 HydrophobicContact CE2-CG1 3.99Å; F69-V180 HydrophobicContact CZ-CB 4.08Å; F69-V180 HydrophobicContact CZ-CG1 3.81Å | ||
| 70 | S | 73.7 | Confident | 80.3 | Confident | 108 Ų | 108 | 58.4 Ų | 58.4 | 76% | 0.755 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -70.5 | -19 | 172.3 | 54.1 | 0 | 0 | 0 | 0 | 113 | ||
| 71 | H | 81.9 | Confident | 80.3 | Confident | 43 Ų | 43 | 61.3 Ų | 61.3 | 20% | 0.199 | 33% | 0.328 | C | S | . | . | trans | -90.3 | 153.6 | -178.6 | -59.8 | 82.6 | 0 | 0 | 0 | 110.7 | F69 L96 L122 | F69-H71 PolarHBondContact O-N 3.47Å; H71-L96 HydrophobicContact CB-CD2 4.28Å; H71-L96 WeakPolarHBondContact O-CD2 3.27Å; H71-L122 HydrophobicContact CB-CB 3.79Å; H71-L122 HydrophobicContact CB-CD1 4.46Å; H71-L122 VanDerWaalsContact ND1-CD1 3.35Å; H71-L122 WeakPolarHBondContact ND1-CD1 3.45Å | ||
| 72 | K | 83.1 | Confident | 80.1 | Confident | 126 Ų | 126 | 63.5 Ų | 63.5 | 55% | 0.548 | 34% | 0.34 | S | S | . | . | trans | -99.2 | -28.5 | -177.5 | -68.6 | -175.2 | 178.8 | -178.7 | 0 | 113.5 | Q97 Q120 | K72-Q97 PolarHBondContact O-N 2.89Å; K72-Q120 PolarHBondContact N-O 2.78Å | ||
| 73 | Y | 89.9 | Confident | 80.4 | Confident | 65 Ų | 65 | 58.9 Ų | 58.9 | 26% | 0.255 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.7 | 153 | -170 | -56.6 | -76.4 | 0 | 0 | 0 | 112 | Q97 Q120 T121 L122 | Y73-Q97 CarbonylContact C-O 3.55Å; Y73-Q97 VanDerWaalsContact CA-O 3.3Å; Y73-Q97 WeakPolarHBondContact CA-O 3.17Å; Y73-Q97 HydrophobicContact CD1-CB 3.86Å; Y73-Q97 HydrophobicContact CD1-CG 4.32Å; Y73-Q97 HydrophobicContact CE1-CB 4.19Å; Y73-Q97 HydrophobicContact CE1-CG 4.4Å; Y73-Q120 HydrophobicContact CD2-CB 4.01Å; Y73-Q120 HydrophobicContact CE2-CB 4.27Å; Y73-Q120 PolarHBondContact N-O 3.47Å; Y73-T121 WeakPolarHBondContact O-CA 3.3Å; Y73-L122 PolarHBondContact O-N 3.41Å |
| 74 | M | 90 | Very high | 80.9 | Confident | 1 Ų | 1 | 61.8 Ų | 61.8 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 124.5 | 169.6 | -170.6 | 67.3 | -170.3 | 0 | 0 | 110.2 | M87 L96 Q97 P98 F99 L122 V125 L142 L181 | M74-M87 HydrophobicContact CB-CE 4.11Å; M74-M87 HydrophobicContact CG-CE 3.7Å; M74-L96 HydrophobicContact CB-CB 3.94Å; M74-L96 HydrophobicContact CB-CD1 4.38Å; M74-Q97 PolarHBondContact N-O 2.93Å; M74-P98 CarbonylContact O-C 3.59Å; M74-P98 WeakPolarHBondContact O-CA 3.21Å; M74-F99 PolarHBondContact O-N 3.25Å; M74-L122 HydrophobicContact SD-CB 4.09Å; M74-L122 HydrophobicContact SD-CD2 4.27Å; M74-L122 HydrophobicContact SD-CG 4.48Å; M74-V125 HydrophobicContact CE-CG2 3.43Å; M74-V125 VanDerWaalsContact CE-CG2 3.43Å; M74-V125 HydrophobicContact CG-CG2 4.45Å; M74-L142 HydrophobicContact CE-CD2 4.49Å; M74-L181 HydrophobicContact CE-CD1 4.36Å; M74-L181 HydrophobicContact CE-CD2 3.54Å; M74-L181 HydrophobicContact SD-CD2 4.37Å |
| 75 | A | 91.1 | Very high | 81.6 | Confident | 0 Ų | 0 | 64 Ų | 64 | 0% | 0 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 152.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | F99 F101 F111 T121 G123 A124 V125 | A75-F99 CarbonylContact C-O 3.6Å; A75-F99 WeakPolarHBondContact CA-O 3.48Å; A75-F101 HydrophobicContact CB-CD2 4.17Å; A75-F101 HydrophobicContact CB-CE2 3.81Å; A75-F111 HydrophobicContact CB-CE2 3.95Å; A75-F111 HydrophobicContact CB-CZ 3.89Å; A75-T121 HydrophobicContact CB-CG2 4.22Å; A75-G123 WeakPolarHBondContact CB-O 3.5Å; A75-G123 PolarHBondContact N-O 2.87Å; A75-A124 HydrophobicContact CB-CB 3.99Å; A75-A124 CarbonylContact O-C 3.53Å; A75-A124 VanDerWaalsContact O-CA 3.27Å; A75-A124 WeakPolarHBondContact O-CA 3.35Å; A75-V125 PolarHBondContact O-N 2.85Å |
| 76 | Y | 92.2 | Very high | 82.6 | Confident | 5 Ų | 5 | 60.8 Ų | 60.8 | 2% | 0.02 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 154.9 | 169.8 | 70.6 | -82.9 | 0 | 0 | 0 | 113 | N79 N83 L84 M87 P98 F99 G100 F101 V125 | Y76-N79 HydrophobicContact CE2-CB 4.37Å; Y76-N79 PolarHBondContact OH-OD1 2.79Å; Y76-N83 HydrophobicContact CD2-CB 3.9Å; Y76-N83 HydrophobicContact CE2-CB 3.96Å; Y76-L84 HydrophobicContact CE1-CD1 4.42Å; Y76-L84 WeakPolarHBondContact OH-CD1 3.35Å; Y76-M87 HydrophobicContact CD1-CB 4.29Å; Y76-M87 HydrophobicContact CD1-CG 3.87Å; Y76-M87 HydrophobicContact CD2-CG 4.33Å; Y76-M87 HydrophobicContact CE1-CG 4.5Å; Y76-M87 HydrophobicContact CG-CG 3.79Å; Y76-P98 HydrophobicContact CD1-CB 4.23Å; Y76-P98 HydrophobicContact CE1-CB 4.03Å; Y76-F99 WeakPolarHBondContact CD1-O 3.14Å; Y76-F99 PolarHBondContact N-O 3.21Å; Y76-G100 VanDerWaalsContact CE1-N 3.3Å; Y76-G100 VanDerWaalsContact CZ-CA 3.48Å; Y76-G100 CarbonylContact O-C 3.58Å; Y76-G100 WeakPolarHBondContact O-CA 3.37Å; Y76-F101 PolarHBondContact O-N 2.87Å; Y76-V125 CarbonylContact C-O 3.59Å; Y76-V125 WeakPolarHBondContact CA-O 3.49Å |
| 77 | A | 90.5 | Very high | 84 | Confident | 1 Ų | 1 | 57.3 Ų | 57.3 | 1% | 0.008 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149.9 | 148.1 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | F101 V125 I126 F127 | A77-F101 HydrophobicContact CB-CB 4.28Å; A77-V125 PolarHBondContact N-O 2.85Å; A77-I126 HydrophobicContact CB-CD1 3.99Å; A77-I126 CarbonylContact O-C 3.53Å; A77-I126 WeakPolarHBondContact O-CA 3.49Å; A77-F127 PolarHBondContact O-N 2.86Å |
| 78 | P | 89.6 | Confident | 85.2 | Confident | 33 Ų | 33 | 57.1 Ų | 57.1 | 21% | 0.214 | 29% | 0.29 | C | S | . | . | S | Bend | cis | -74.4 | 154.7 | -7.5 | 30.7 | -34.4 | 0 | 0 | 0 | 112.7 | D80 N83 F101 K102 F127 | P78-D80 VanDerWaalsContact C-N 3.28Å; P78-D80 WeakPolarHBondContact CG-OD2 3.41Å; P78-D80 PolarHBondContact O-N 3.1Å; P78-N83 PolarHBondContact O-ND2 2.78Å; P78-F101 CarbonylContact C-O 3.53Å; P78-F101 WeakPolarHBondContact CA-O 3.44Å; P78-K102 WeakPolarHBondContact CB-O 3.42Å; P78-F127 WeakPolarHBondContact CD-O 3.31Å |
| 79 | N | 87.7 | Confident | 86.1 | Confident | 77 Ų | 77 | 49.8 Ų | 49.8 | 41% | 0.412 | 26% | 0.264 | S | S | . | . | trans | -78.3 | 72 | -179.5 | -171.9 | 11.9 | 0 | 0 | 0 | 112.6 | Y76 F101 | Y76-N79 HydrophobicContact CE2-CB 4.37Å; Y76-N79 PolarHBondContact OH-OD1 2.79Å; N79-F101 WeakPolarHBondContact CB-O 3.42Å; N79-F101 PolarHBondContact N-O 3.05Å | ||
| 80 | D | 86.7 | Confident | 86.8 | Confident | 88 Ų | 88 | 48.7 Ų | 48.7 | 47% | 0.471 | 26% | 0.26 | S | S | . | . | trans | -107 | 160.4 | 176.5 | -62.1 | -34.6 | 0 | 0 | 0 | 111.7 | P78 I82 N83 L84 | P78-D80 VanDerWaalsContact C-N 3.28Å; P78-D80 WeakPolarHBondContact CG-OD2 3.41Å; P78-D80 PolarHBondContact O-N 3.1Å; D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 PolarHBondContact O-N 3.06Å; D80-N83 PolarHBondContact O-N 3.37Å; D80-N83 VanDerWaalsContact O-N 3.17Å; D80-L84 PolarHBondContact O-N 3.32Å | ||
| 81 | T | 85.1 | Confident | 87.5 | Confident | 120 Ų | 120 | 48 Ų | 48 | 74% | 0.736 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -58.7 | -39.2 | -176.2 | 51.5 | 0 | 0 | 0 | 0 | 113.1 | Q85 | T81-Q85 PolarHBondContact O-N 3.42Å |
| 82 | I | 82.1 | Confident | 87.6 | Confident | 62 Ų | 62 | 53 Ų | 53 | 32% | 0.318 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -65.7 | -46 | 177.9 | -60.9 | 173.4 | 0 | 0 | 0 | 110.5 | D80 Q85 I86 F130 F133 | D80-I82 VanDerWaalsContact C-N 3.3Å; D80-I82 PolarHBondContact O-N 3.06Å; I82-Q85 WeakPolarHBondContact O-CB 3.34Å; I82-Q85 PolarHBondContact O-N 2.8Å; I82-I86 HydrophobicContact CG2-CD1 4.05Å; I82-I86 WeakPolarHBondContact O-CG1 3.05Å; I82-I86 PolarHBondContact O-N 2.98Å; I82-F130 HydrophobicContact CG2-CE2 4.32Å; I82-F130 HydrophobicContact CG2-CZ 4.18Å; I82-F133 HydrophobicContact CD1-CZ 4.33Å |
| 83 | N | 86.8 | Confident | 87.5 | Confident | 1 Ų | 1 | 51.6 Ų | 51.6 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.1 | -40.4 | -179.9 | -69.2 | -20.8 | 0 | 0 | 0 | 111.7 | Y76 P78 D80 Q85 I86 M87 F127 F130 | Y76-N83 HydrophobicContact CD2-CB 3.9Å; Y76-N83 HydrophobicContact CE2-CB 3.96Å; P78-N83 PolarHBondContact O-ND2 2.78Å; D80-N83 PolarHBondContact O-N 3.37Å; D80-N83 VanDerWaalsContact O-N 3.17Å; N83-Q85 VanDerWaalsContact C-N 3.29Å; N83-Q85 PolarHBondContact O-N 3.1Å; N83-I86 PolarHBondContact O-N 3.29Å; N83-M87 WeakPolarHBondContact O-CB 3.44Å; N83-M87 VanDerWaalsContact O-CG 3.28Å; N83-M87 WeakPolarHBondContact O-CG 3.44Å; N83-M87 PolarHBondContact O-N 2.84Å; N83-F127 HydrophobicContact CB-CD2 4.04Å; N83-F127 HydrophobicContact CB-CE2 4.26Å; N83-F127 WeakPolarHBondContact OD1-CG 2.92Å; N83-F130 VanDerWaalsContact OD1-CE2 3.27Å; N83-F130 WeakPolarHBondContact OD1-CE2 3.35Å |
| 84 | L | 87.3 | Confident | 87.2 | Confident | 67 Ų | 67 | 48.9 Ų | 48.9 | 35% | 0.351 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -60.9 | -40.2 | 173.3 | 178.6 | 61.8 | 0 | 0 | 0 | 111.3 | Y76 D80 M87 N88 | Y76-L84 HydrophobicContact CE1-CD1 4.42Å; Y76-L84 WeakPolarHBondContact OH-CD1 3.35Å; D80-L84 PolarHBondContact O-N 3.32Å; L84-M87 PolarHBondContact O-N 3.37Å; L84-N88 WeakPolarHBondContact O-CB 3.44Å; L84-N88 VanDerWaalsContact O-CG 3.23Å; L84-N88 PolarHBondContact O-N 2.69Å; L84-N88 PolarHBondContact O-ND2 3.14Å |
| 85 | Q | 86.2 | Confident | 87 | Confident | 110 Ų | 110 | 53.8 Ų | 53.8 | 51% | 0.514 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63.1 | -46.3 | 175.7 | -174.6 | 178.8 | -12.9 | 0 | 0 | 111.7 | T81 I82 N83 M87 N88 T89 I192 | T81-Q85 PolarHBondContact O-N 3.42Å; I82-Q85 WeakPolarHBondContact O-CB 3.34Å; I82-Q85 PolarHBondContact O-N 2.8Å; N83-Q85 VanDerWaalsContact C-N 3.29Å; N83-Q85 PolarHBondContact O-N 3.1Å; Q85-M87 VanDerWaalsContact C-N 3.34Å; Q85-M87 PolarHBondContact O-N 3.06Å; Q85-N88 PolarHBondContact O-N 3.03Å; Q85-T89 PolarHBondContact O-N 3.5Å; Q85-T89 VanDerWaalsContact O-N 3.17Å; Q85-T89 PolarHBondContact O-OG1 2.83Å; Q85-I192 HydrophobicContact CG-CD1 4.41Å |
| 86 | I | 87.2 | Confident | 86.7 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.9 | -49.9 | 175 | -65.3 | 161.4 | 0 | 0 | 0 | 110 | I82 N83 N88 T89 V90 F127 F130 L189 I192 | I82-I86 HydrophobicContact CG2-CD1 4.05Å; I82-I86 WeakPolarHBondContact O-CG1 3.05Å; I82-I86 PolarHBondContact O-N 2.98Å; N83-I86 PolarHBondContact O-N 3.29Å; I86-N88 VanDerWaalsContact C-N 3.33Å; I86-N88 PolarHBondContact O-N 2.71Å; I86-T89 WeakPolarHBondContact O-CB 3.4Å; I86-T89 PolarHBondContact O-N 3.15Å; I86-T89 VanDerWaalsContact O-N 3.13Å; I86-V90 HydrophobicContact CG2-CG2 4.47Å; I86-V90 WeakPolarHBondContact O-CG2 3.22Å; I86-V90 PolarHBondContact O-N 2.97Å; I86-F127 HydrophobicContact CD1-CE1 4.3Å; I86-F127 HydrophobicContact CG2-CE1 4.23Å; I86-F127 HydrophobicContact CG2-CZ 3.96Å; I86-F130 HydrophobicContact CD1-CZ 4.11Å; I86-L189 HydrophobicContact CD1-CD2 3.68Å; I86-L189 HydrophobicContact CG1-CD2 4.12Å; I86-L189 HydrophobicContact CG2-CD2 4.37Å; I86-I192 HydrophobicContact CB-CD1 4.18Å; I86-I192 HydrophobicContact CG1-CD1 3.62Å |
| 87 | M | 89.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -68.9 | -28.5 | -176.7 | -69.2 | -57 | -59.7 | 0 | 0 | 113.4 | M74 Y76 N83 L84 Q85 V90 Y91 P98 V125 F127 | M74-M87 HydrophobicContact CB-CE 4.11Å; M74-M87 HydrophobicContact CG-CE 3.7Å; Y76-M87 HydrophobicContact CD1-CB 4.29Å; Y76-M87 HydrophobicContact CD1-CG 3.87Å; Y76-M87 HydrophobicContact CD2-CG 4.33Å; Y76-M87 HydrophobicContact CE1-CG 4.5Å; Y76-M87 HydrophobicContact CG-CG 3.79Å; N83-M87 WeakPolarHBondContact O-CB 3.44Å; N83-M87 VanDerWaalsContact O-CG 3.28Å; N83-M87 WeakPolarHBondContact O-CG 3.44Å; N83-M87 PolarHBondContact O-N 2.84Å; L84-M87 PolarHBondContact O-N 3.37Å; Q85-M87 VanDerWaalsContact C-N 3.34Å; Q85-M87 PolarHBondContact O-N 3.06Å; M87-V90 HydrophobicContact CE-CG1 4.45Å; M87-V90 PolarHBondContact O-N 3.07Å; M87-V90 HydrophobicContact SD-CG2 4.44Å; M87-Y91 PolarHBondContact O-N 3.23Å; M87-P98 HydrophobicContact CB-CB 3.69Å; M87-P98 HydrophobicContact CB-CG 4.46Å; M87-V125 HydrophobicContact CE-CG2 4.32Å; M87-V125 HydrophobicContact SD-CB 4.41Å; M87-V125 HydrophobicContact SD-CG2 4.23Å; M87-F127 HydrophobicContact CG-CE2 4.16Å; M87-F127 HydrophobicContact CG-CZ 4.45Å; M87-F127 HydrophobicContact SD-CE2 4.11Å; M87-F127 HydrophobicContact SD-CZ 4.08Å |
| 88 | N | 89.1 | Confident | 86.6 | Confident | 73 Ų | 73 | 59.8 Ų | 59.8 | 39% | 0.39 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -68.2 | -36.1 | 170.8 | -77.6 | -24.3 | 0 | 0 | 0 | 112.2 | L84 Q85 I86 Y91 M92 P98 | L84-N88 WeakPolarHBondContact O-CB 3.44Å; L84-N88 VanDerWaalsContact O-CG 3.23Å; L84-N88 PolarHBondContact O-N 2.69Å; L84-N88 PolarHBondContact O-ND2 3.14Å; Q85-N88 PolarHBondContact O-N 3.03Å; I86-N88 VanDerWaalsContact C-N 3.33Å; I86-N88 PolarHBondContact O-N 2.71Å; N88-Y91 WeakPolarHBondContact O-CB 3.45Å; N88-Y91 PolarHBondContact O-N 3.18Å; N88-M92 PolarHBondContact O-N 3.32Å; N88-P98 WeakPolarHBondContact OD1-CG 3.34Å |
| 89 | T | 86.3 | Confident | 86.5 | Confident | 36 Ų | 36 | 61.5 Ų | 61.5 | 22% | 0.221 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -68.1 | -39 | 171.4 | -52.2 | 0 | 0 | 0 | 0 | 110.9 | Q85 I86 Y91 M92 Y93 S188 | Q85-T89 PolarHBondContact O-N 3.5Å; Q85-T89 VanDerWaalsContact O-N 3.17Å; Q85-T89 PolarHBondContact O-OG1 2.83Å; I86-T89 WeakPolarHBondContact O-CB 3.4Å; I86-T89 PolarHBondContact O-N 3.15Å; I86-T89 VanDerWaalsContact O-N 3.13Å; T89-Y91 VanDerWaalsContact C-N 3.3Å; T89-Y91 PolarHBondContact O-N 3.02Å; T89-M92 WeakPolarHBondContact O-CB 3.3Å; T89-M92 PolarHBondContact O-N 3.14Å; T89-Y93 HydrophobicContact CG2-CD2 4.43Å; T89-Y93 HydrophobicContact CG2-CE2 3.94Å; T89-Y93 VanDerWaalsContact O-CD2 3.3Å; T89-Y93 WeakPolarHBondContact O-CD2 3.46Å; T89-Y93 PolarHBondContact O-N 2.81Å; T89-S188 WeakPolarHBondContact CG2-OG 3.14Å |
| 90 | V | 87.7 | Confident | 86.5 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.012 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -61.9 | -38.2 | 173.7 | 174.9 | 0 | 0 | 0 | 0 | 111.6 | I86 M87 M92 Y93 T94 L181 A184 I185 S188 | I86-V90 HydrophobicContact CG2-CG2 4.47Å; I86-V90 WeakPolarHBondContact O-CG2 3.22Å; I86-V90 PolarHBondContact O-N 2.97Å; M87-V90 HydrophobicContact CE-CG1 4.45Å; M87-V90 PolarHBondContact O-N 3.07Å; M87-V90 HydrophobicContact SD-CG2 4.44Å; V90-M92 VanDerWaalsContact C-N 3.29Å; V90-M92 PolarHBondContact O-N 2.96Å; V90-Y93 PolarHBondContact O-N 3.02Å; V90-Y93 VanDerWaalsContact O-N 3.07Å; V90-T94 HydrophobicContact CG1-CG2 4.13Å; V90-T94 PolarHBondContact O-N 3.46Å; V90-T94 PolarHBondContact O-OG1 3.07Å; V90-L181 HydrophobicContact CG1-CD1 4.33Å; V90-A184 HydrophobicContact CG1-CB 4.35Å; V90-I185 HydrophobicContact CG1-CG1 4.47Å; V90-I185 HydrophobicContact CG2-CB 4.41Å; V90-I185 HydrophobicContact CG2-CG1 3.83Å; V90-S188 PolarHBondContact N-OG 3.41Å |
| 91 | Y | 88.1 | Confident | 86.7 | Confident | 93 Ų | 93 | 55.9 Ų | 55.9 | 37% | 0.365 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -57.5 | -40.5 | 174.4 | 170.5 | -113.6 | 0 | 0 | 0 | 112 | M87 N88 T89 Y93 T94 N95 L96 Q97 | M87-Y91 PolarHBondContact O-N 3.23Å; N88-Y91 WeakPolarHBondContact O-CB 3.45Å; N88-Y91 PolarHBondContact O-N 3.18Å; T89-Y91 VanDerWaalsContact C-N 3.3Å; T89-Y91 PolarHBondContact O-N 3.02Å; Y91-Y93 PolarHBondContact O-N 2.73Å; Y91-T94 PolarHBondContact O-N 3.09Å; Y91-N95 VanDerWaalsContact O-CA 3.32Å; Y91-N95 WeakPolarHBondContact O-CA 3.43Å; Y91-N95 PolarHBondContact O-N 3.34Å; Y91-L96 VanDerWaalsContact CD2-C 3.46Å; Y91-L96 WeakPolarHBondContact CD2-O 3.17Å; Y91-Q97 HydrophobicContact CE2-CB 4.44Å |
| 92 | M | 84.3 | Confident | 86.7 | Confident | 149 Ų | 149 | 57.9 Ų | 57.9 | 73% | 0.734 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -63.2 | -28.2 | 176.7 | -65.5 | -70.7 | -176.7 | 0 | 0 | 113.2 | N88 T89 V90 | N88-M92 PolarHBondContact O-N 3.32Å; T89-M92 WeakPolarHBondContact O-CB 3.3Å; T89-M92 PolarHBondContact O-N 3.14Å; V90-M92 VanDerWaalsContact C-N 3.29Å; V90-M92 PolarHBondContact O-N 2.96Å |
| 93 | Y | 80.4 | Confident | 87.1 | Confident | 96 Ų | 96 | 58.3 Ų | 58.3 | 38% | 0.376 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -88.5 | -30.4 | 178.5 | -71.6 | -62.2 | 0 | 0 | 0 | 113.8 | T89 V90 Y91 R187 N191 | T89-Y93 HydrophobicContact CG2-CD2 4.43Å; T89-Y93 HydrophobicContact CG2-CE2 3.94Å; T89-Y93 VanDerWaalsContact O-CD2 3.3Å; T89-Y93 WeakPolarHBondContact O-CD2 3.46Å; T89-Y93 PolarHBondContact O-N 2.81Å; V90-Y93 PolarHBondContact O-N 3.02Å; V90-Y93 VanDerWaalsContact O-N 3.07Å; Y91-Y93 PolarHBondContact O-N 2.73Å; Y93-R187 HydrophobicContact CE2-CG 4.46Å; Y93-N191 PolarHBondContact OH-ND2 3.15Å |
| 94 | T | 83.4 | Confident | 87.1 | Confident | 7 Ų | 7 | 62.1 Ų | 62.1 | 4% | 0.043 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -117.5 | -14.6 | -167 | 60.4 | 0 | 0 | 0 | 0 | 114.4 | F69 V90 Y91 L96 A184 | F69-T94 WeakPolarHBondContact CD2-O 3.47Å; F69-T94 HydrophobicContact CE2-CG2 3.78Å; F69-T94 HydrophobicContact CZ-CG2 4.39Å; V90-T94 HydrophobicContact CG1-CG2 4.13Å; V90-T94 PolarHBondContact O-N 3.46Å; V90-T94 PolarHBondContact O-OG1 3.07Å; Y91-T94 PolarHBondContact O-N 3.09Å; T94-L96 PolarHBondContact O-N 2.99Å; T94-L96 PolarHBondContact OG1-N 3.13Å; T94-A184 HydrophobicContact CG2-CB 3.73Å |
| 95 | N | 85.7 | Confident | 87 | Confident | 105 Ų | 105 | 61.3 Ų | 61.3 | 56% | 0.561 | 31% | 0.313 | S | S | * | . | trans | 58 | 19.8 | -168.1 | -68.3 | -32.5 | 0 | 0 | 0 | 114.9 | Y91 | Y91-N95 VanDerWaalsContact O-CA 3.32Å; Y91-N95 WeakPolarHBondContact O-CA 3.43Å; Y91-N95 PolarHBondContact O-N 3.34Å | ||
| 96 | L | 86.5 | Confident | 87 | Confident | 3 Ų | 3 | 60.4 Ų | 60.4 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | trans | -92.2 | 112.6 | 175.8 | -68 | 170.4 | 0 | 0 | 0 | 111.6 | F69 H71 M74 Y91 T94 L122 | F69-L96 HydrophobicContact CB-CD1 4.49Å; F69-L96 HydrophobicContact CB-CD2 3.81Å; F69-L96 HydrophobicContact CB-CG 4.27Å; F69-L96 HydrophobicContact CD1-CD1 4.13Å; F69-L96 HydrophobicContact CD2-CD1 3.87Å; F69-L96 HydrophobicContact CD2-CD2 4.49Å; F69-L96 HydrophobicContact CD2-CG 4.01Å; F69-L96 HydrophobicContact CE1-CD1 4.27Å; F69-L96 HydrophobicContact CE2-CD1 4.06Å; F69-L96 HydrophobicContact CG-CD1 3.9Å; F69-L96 HydrophobicContact CG-CD2 4.14Å; F69-L96 HydrophobicContact CG-CG 4.11Å; F69-L96 HydrophobicContact CZ-CD1 4.25Å; H71-L96 HydrophobicContact CB-CD2 4.28Å; H71-L96 WeakPolarHBondContact O-CD2 3.27Å; M74-L96 HydrophobicContact CB-CB 3.94Å; M74-L96 HydrophobicContact CB-CD1 4.38Å; Y91-L96 VanDerWaalsContact CD2-C 3.46Å; Y91-L96 WeakPolarHBondContact CD2-O 3.17Å; T94-L96 PolarHBondContact O-N 2.99Å; T94-L96 PolarHBondContact OG1-N 3.13Å; L96-L122 HydrophobicContact CD1-CD2 3.73Å | ||
| 97 | Q | 89.2 | Confident | 87 | Confident | 103 Ų | 103 | 60.2 Ų | 60.2 | 48% | 0.481 | 31% | 0.308 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.2 | 128.1 | -176.3 | -173.3 | 178.9 | -4.5 | 0 | 0 | 110.8 | K72 Y73 M74 Y91 | K72-Q97 PolarHBondContact O-N 2.89Å; Y73-Q97 CarbonylContact C-O 3.55Å; Y73-Q97 VanDerWaalsContact CA-O 3.3Å; Y73-Q97 WeakPolarHBondContact CA-O 3.17Å; Y73-Q97 HydrophobicContact CD1-CB 3.86Å; Y73-Q97 HydrophobicContact CD1-CG 4.32Å; Y73-Q97 HydrophobicContact CE1-CB 4.19Å; Y73-Q97 HydrophobicContact CE1-CG 4.4Å; M74-Q97 PolarHBondContact N-O 2.93Å; Y91-Q97 HydrophobicContact CE2-CB 4.44Å |
| 98 | P | 89.7 | Confident | 86.8 | Confident | 26 Ų | 26 | 61.4 Ų | 61.4 | 17% | 0.169 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.7 | 141.9 | -172.9 | 31.9 | -35.8 | 0 | 0 | 0 | 112.9 | M74 Y76 M87 N88 | M74-P98 CarbonylContact O-C 3.59Å; M74-P98 WeakPolarHBondContact O-CA 3.21Å; Y76-P98 HydrophobicContact CD1-CB 4.23Å; Y76-P98 HydrophobicContact CE1-CB 4.03Å; M87-P98 HydrophobicContact CB-CB 3.69Å; M87-P98 HydrophobicContact CB-CG 4.46Å; N88-P98 WeakPolarHBondContact OD1-CG 3.34Å |
| 99 | F | 87.6 | Confident | 86.5 | Confident | 68 Ų | 68 | 60.5 Ų | 60.5 | 30% | 0.298 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 109.8 | -176.4 | -175.3 | -123.3 | 0 | 0 | 0 | 111.7 | M74 A75 Y76 F101 F110 | M74-F99 PolarHBondContact O-N 3.25Å; A75-F99 CarbonylContact C-O 3.6Å; A75-F99 WeakPolarHBondContact CA-O 3.48Å; Y76-F99 WeakPolarHBondContact CD1-O 3.14Å; Y76-F99 PolarHBondContact N-O 3.21Å; F99-F101 HydrophobicContact CD1-CD2 4.5Å; F99-F101 AromaticContact CD1-CE2 3.57Å; F99-F101 HydrophobicContact CD1-CE2 3.57Å; F99-F101 AromaticContact CD1-CZ 3.8Å; F99-F101 HydrophobicContact CD1-CZ 3.8Å; F99-F101 HydrophobicContact CE1-CE1 4.11Å; F99-F101 AromaticContact CE1-CE2 3.59Å; F99-F101 HydrophobicContact CE1-CE2 3.59Å; F99-F101 AromaticContact CE1-CZ 3.28Å; F99-F101 HydrophobicContact CE1-CZ 3.28Å; F99-F101 HydrophobicContact CZ-CZ 4.16Å; F99-F110 HydrophobicContact CE1-CE1 4.32Å; F99-F110 HydrophobicContact CE1-CE2 4.33Å; F99-F110 HydrophobicContact CE1-CZ 4.14Å |
| 100 | G | 88.1 | Confident | 86.6 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 141.2 | -169 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y76 | Y76-G100 VanDerWaalsContact CE1-N 3.3Å; Y76-G100 VanDerWaalsContact CZ-CA 3.48Å; Y76-G100 CarbonylContact O-C 3.58Å; Y76-G100 WeakPolarHBondContact O-CA 3.37Å |
| 101 | F | 90.7 | Very high | 86.4 | Confident | 28 Ų | 28 | 59.9 Ų | 59.9 | 12% | 0.123 | 31% | 0.312 | C | S | . | . | trans | -119.4 | 154.7 | 172.4 | -68 | -87.4 | 0 | 0 | 0 | 111.7 | A75 Y76 A77 P78 N79 F99 E106 A107 F110 | A75-F101 HydrophobicContact CB-CD2 4.17Å; A75-F101 HydrophobicContact CB-CE2 3.81Å; Y76-F101 PolarHBondContact O-N 2.87Å; A77-F101 HydrophobicContact CB-CB 4.28Å; P78-F101 CarbonylContact C-O 3.53Å; P78-F101 WeakPolarHBondContact CA-O 3.44Å; N79-F101 WeakPolarHBondContact CB-O 3.42Å; N79-F101 PolarHBondContact N-O 3.05Å; F99-F101 HydrophobicContact CD1-CD2 4.5Å; F99-F101 AromaticContact CD1-CE2 3.57Å; F99-F101 HydrophobicContact CD1-CE2 3.57Å; F99-F101 AromaticContact CD1-CZ 3.8Å; F99-F101 HydrophobicContact CD1-CZ 3.8Å; F99-F101 HydrophobicContact CE1-CE1 4.11Å; F99-F101 AromaticContact CE1-CE2 3.59Å; F99-F101 HydrophobicContact CE1-CE2 3.59Å; F99-F101 AromaticContact CE1-CZ 3.28Å; F99-F101 HydrophobicContact CE1-CZ 3.28Å; F99-F101 HydrophobicContact CZ-CZ 4.16Å; F101-E106 HydrophobicContact CB-CB 4.45Å; F101-E106 HydrophobicContact CD1-CB 4.08Å; F101-A107 HydrophobicContact CB-CB 4.04Å; F101-A107 HydrophobicContact CD2-CB 3.64Å; F101-A107 HydrophobicContact CE2-CB 4.18Å; F101-A107 HydrophobicContact CG-CB 3.83Å; F101-F110 HydrophobicContact CE1-CB 3.84Å; F101-F110 HydrophobicContact CE1-CG 4.19Å; F101-F110 HydrophobicContact CE2-CD1 4.21Å; F101-F110 HydrophobicContact CE2-CG 4.47Å; F101-F110 HydrophobicContact CZ-CB 3.56Å; F101-F110 AromaticContact CZ-CD1 3.69Å; F101-F110 HydrophobicContact CZ-CD1 3.69Å; F101-F110 HydrophobicContact CZ-CD2 4.15Å; F101-F110 HydrophobicContact CZ-CE1 4.39Å; F101-F110 AromaticContact CZ-CG 3.53Å; F101-F110 HydrophobicContact CZ-CG 3.53Å | ||
| 102 | K | 86.2 | Confident | 85.8 | Confident | 161 Ų | 161 | 60.6 Ų | 60.6 | 70% | 0.7 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -73.5 | -37.7 | -178.8 | -65.7 | -178.9 | 178.7 | 178.5 | 0 | 112.2 | P78 E106 | P78-K102 WeakPolarHBondContact CB-O 3.42Å; K102-E106 WeakPolarHBondContact CB-OE2 3.46Å; K102-E106 PolarHBondContact N-OE2 3.01Å |
| 103 | T | 88.8 | Confident | 85.4 | Confident | 72 Ų | 72 | 55.8 Ų | 55.8 | 44% | 0.442 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -132.7 | 157.4 | -178.4 | 65.4 | 0 | 0 | 0 | 0 | 111 | G105 E106 A107 | T103-G105 VanDerWaalsContact C-N 3.25Å; T103-G105 PolarHBondContact O-N 3.49Å; T103-E106 PolarHBondContact O-N 3.45Å; T103-E106 WeakPolarHBondContact OG1-CG 3.41Å; T103-E106 PolarHBondContact OG1-N 2.99Å; T103-A107 PolarHBondContact O-N 3.43Å |
| 104 | E | 86.7 | Confident | 84.7 | Confident | 80 Ų | 80 | 57.8 Ų | 57.8 | 37% | 0.374 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -56.7 | -40.1 | 172.4 | -179.4 | -172.5 | 150.9 | 0 | 0 | 112 | E106 A107 V108 I126 R141 | E104-E106 PolarHBondContact O-N 2.94Å; E104-A107 WeakPolarHBondContact O-CB 3.49Å; E104-A107 PolarHBondContact O-N 3.29Å; E104-V108 WeakPolarHBondContact O-CG2 3.32Å; E104-V108 PolarHBondContact O-N 3.5Å; E104-I126 HydrophobicContact CB-CD1 4.22Å; E104-I126 HydrophobicContact CB-CG2 4.21Å; E104-I126 HydrophobicContact CG-CD1 3.9Å; E104-I126 HydrophobicContact CG-CG1 4.03Å; E104-I126 HydrophobicContact CG-CG2 4.24Å; E104-R141 VanDerWaalsContact CD-NH1 3.34Å; E104-R141 VanDerWaalsContact CG-NH1 3.26Å; E104-R141 IonicContact OE1-CZ 2.98Å; E104-R141 IonicContact OE1-NH1 2.9Å; E104-R141 PolarHBondContact OE1-NH1 2.91Å; E104-R141 IonicContact OE1-NH2 3.72Å; E104-R141 PolarHBondContact OE1-NH2 3.38Å |
| 105 | G | 85.4 | Confident | 84.3 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 52% | 0.515 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -62.7 | -40.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T103 V108 A109 | T103-G105 VanDerWaalsContact C-N 3.25Å; T103-G105 PolarHBondContact O-N 3.49Å; G105-V108 PolarHBondContact O-N 3Å; G105-A109 WeakPolarHBondContact O-CB 3.38Å; G105-A109 PolarHBondContact O-N 3.22Å |
| 106 | E | 87.9 | Confident | 83.8 | Confident | 91 Ų | 91 | 59.5 Ų | 59.5 | 43% | 0.425 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 174.5 | -74.4 | 175.5 | -179 | 0 | 0 | 111.8 | F101 K102 T103 E104 V108 A109 F110 | F101-E106 HydrophobicContact CB-CB 4.45Å; F101-E106 HydrophobicContact CD1-CB 4.08Å; K102-E106 WeakPolarHBondContact CB-OE2 3.46Å; K102-E106 PolarHBondContact N-OE2 3.01Å; T103-E106 PolarHBondContact O-N 3.45Å; T103-E106 WeakPolarHBondContact OG1-CG 3.41Å; T103-E106 PolarHBondContact OG1-N 2.99Å; E104-E106 PolarHBondContact O-N 2.94Å; E106-V108 PolarHBondContact O-N 3.31Å; E106-A109 PolarHBondContact O-N 3.04Å; E106-F110 PolarHBondContact O-N 2.88Å; E106-F110 VanDerWaalsContact O-N 3.08Å |
| 107 | A | 85.8 | Confident | 83.4 | Confident | 1 Ų | 1 | 65.6 Ų | 65.6 | 1% | 0.008 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -62.1 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | F101 T103 E104 F110 F111 | F101-A107 HydrophobicContact CB-CB 4.04Å; F101-A107 HydrophobicContact CD2-CB 3.64Å; F101-A107 HydrophobicContact CE2-CB 4.18Å; F101-A107 HydrophobicContact CG-CB 3.83Å; T103-A107 PolarHBondContact O-N 3.43Å; E104-A107 WeakPolarHBondContact O-CB 3.49Å; E104-A107 PolarHBondContact O-N 3.29Å; A107-F110 WeakPolarHBondContact O-CB 3.23Å; A107-F110 PolarHBondContact O-N 3.39Å; A107-F111 WeakPolarHBondContact O-CD2 3.47Å; A107-F111 PolarHBondContact O-N 3.48Å |
| 108 | V | 84.6 | Confident | 83 | Confident | 25 Ų | 25 | 60.9 Ų | 60.9 | 15% | 0.152 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.3 | -43.8 | 177.2 | 175.5 | 0 | 0 | 0 | 0 | 111.8 | E104 G105 E106 F110 F111 Q112 P1119 | E104-V108 WeakPolarHBondContact O-CG2 3.32Å; E104-V108 PolarHBondContact O-N 3.5Å; G105-V108 PolarHBondContact O-N 3Å; E106-V108 PolarHBondContact O-N 3.31Å; V108-F110 VanDerWaalsContact C-N 3.26Å; V108-F110 PolarHBondContact O-N 2.64Å; V108-F111 PolarHBondContact O-N 3.34Å; V108-F111 VanDerWaalsContact O-N 3.13Å; V108-Q112 PolarHBondContact O-N 3.1Å; V108-Q112 VanDerWaalsContact O-N 3.14Å; V108-P1119 HydrophobicContact CG1-CG 3.68Å |
| 109 | A | 83.9 | Confident | 82.2 | Confident | 54 Ų | 54 | 64 Ų | 64 | 45% | 0.446 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -60.6 | -36.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112 | G105 E106 F111 Q112 S113 | G105-A109 WeakPolarHBondContact O-CB 3.38Å; G105-A109 PolarHBondContact O-N 3.22Å; E106-A109 PolarHBondContact O-N 3.04Å; A109-F111 PolarHBondContact O-N 3.36Å; A109-Q112 PolarHBondContact O-N 3.12Å; A109-S113 PolarHBondContact O-N 3.2Å; A109-S113 VanDerWaalsContact O-N 3.15Å |
| 110 | F | 88.2 | Confident | 82 | Confident | 21 Ų | 21 | 64.3 Ų | 64.3 | 9% | 0.092 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 173.6 | 169.3 | -104.2 | 0 | 0 | 0 | 112.5 | F99 F101 E106 A107 V108 Q112 S113 D115 R117 | F99-F110 HydrophobicContact CE1-CE1 4.32Å; F99-F110 HydrophobicContact CE1-CE2 4.33Å; F99-F110 HydrophobicContact CE1-CZ 4.14Å; F101-F110 HydrophobicContact CE1-CB 3.84Å; F101-F110 HydrophobicContact CE1-CG 4.19Å; F101-F110 HydrophobicContact CE2-CD1 4.21Å; F101-F110 HydrophobicContact CE2-CG 4.47Å; F101-F110 HydrophobicContact CZ-CB 3.56Å; F101-F110 AromaticContact CZ-CD1 3.69Å; F101-F110 HydrophobicContact CZ-CD1 3.69Å; F101-F110 HydrophobicContact CZ-CD2 4.15Å; F101-F110 HydrophobicContact CZ-CE1 4.39Å; F101-F110 AromaticContact CZ-CG 3.53Å; F101-F110 HydrophobicContact CZ-CG 3.53Å; E106-F110 PolarHBondContact O-N 2.88Å; E106-F110 VanDerWaalsContact O-N 3.08Å; A107-F110 WeakPolarHBondContact O-CB 3.23Å; A107-F110 PolarHBondContact O-N 3.39Å; V108-F110 VanDerWaalsContact C-N 3.26Å; V108-F110 PolarHBondContact O-N 2.64Å; F110-Q112 VanDerWaalsContact C-N 3.27Å; F110-Q112 PolarHBondContact O-N 3.49Å; F110-S113 PolarHBondContact O-N 3.45Å; F110-S113 PolarHBondContact O-OG 3.21Å; F110-D115 HydrophobicContact CE2-CB 4.34Å; F110-R117 HydrophobicContact CE2-CB 4.35Å; F110-R117 HydrophobicContact CZ-CB 4.01Å |
| 111 | F | 82.7 | Confident | 82 | Confident | 5 Ų | 5 | 63.4 Ų | 63.4 | 2% | 0.022 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -69.8 | -22.5 | 177.3 | -72.6 | -73.2 | 0 | 0 | 0 | 113.8 | A75 A107 V108 A109 T121 G123 A124 L1118 T1121 | A75-F111 HydrophobicContact CB-CE2 3.95Å; A75-F111 HydrophobicContact CB-CZ 3.89Å; A107-F111 WeakPolarHBondContact O-CD2 3.47Å; A107-F111 PolarHBondContact O-N 3.48Å; V108-F111 PolarHBondContact O-N 3.34Å; V108-F111 VanDerWaalsContact O-N 3.13Å; A109-F111 PolarHBondContact O-N 3.36Å; F111-T121 HydrophobicContact CE1-CG2 3.73Å; F111-T121 HydrophobicContact CZ-CG2 3.56Å; F111-G123 VanDerWaalsContact CZ-C 3.49Å; F111-G123 WeakPolarHBondContact CZ-O 3.37Å; F111-A124 HydrophobicContact CE2-CB 3.93Å; F111-L1118 HydrophobicContact CB-CD1 4.27Å; F111-L1118 HydrophobicContact CB-CD2 4.34Å; F111-L1118 HydrophobicContact CD1-CD1 3.89Å; F111-L1118 HydrophobicContact CD2-CD1 3.99Å; F111-L1118 HydrophobicContact CD2-CD2 3.85Å; F111-L1118 HydrophobicContact CE1-CD1 4.23Å; F111-L1118 HydrophobicContact CE2-CD1 4.38Å; F111-L1118 HydrophobicContact CG-CD1 3.77Å; F111-L1118 HydrophobicContact CG-CD2 4.18Å; F111-L1118 HydrophobicContact CZ-CD1 4.48Å; F111-T1121 VanDerWaalsContact O-CG2 3.25Å; F111-T1121 WeakPolarHBondContact O-CG2 3.12Å |
| 112 | Q | 76.9 | Confident | 81.7 | Confident | 108 Ų | 108 | 62.3 Ų | 62.3 | 51% | 0.505 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -83.2 | -13.1 | 173.5 | -69 | -177.1 | -19.9 | 0 | 0 | 113.5 | V108 A109 F110 P1119 | V108-Q112 PolarHBondContact O-N 3.1Å; V108-Q112 VanDerWaalsContact O-N 3.14Å; A109-Q112 PolarHBondContact O-N 3.12Å; F110-Q112 VanDerWaalsContact C-N 3.27Å; F110-Q112 PolarHBondContact O-N 3.49Å; Q112-P1119 HydrophobicContact CG-CG 4.31Å; Q112-P1119 VanDerWaalsContact NE2-CG 3.34Å |
| 113 | S | 75.8 | Confident | 81.8 | Confident | 48 Ų | 48 | 54.6 Ų | 54.6 | 34% | 0.336 | 30% | 0.296 | S | S | . | . | S | Bend | trans | -84 | 151.4 | 178.5 | 77.2 | 0 | 0 | 0 | 0 | 112.3 | A109 F110 D115 S118 | A109-S113 PolarHBondContact O-N 3.2Å; A109-S113 VanDerWaalsContact O-N 3.15Å; F110-S113 PolarHBondContact O-N 3.45Å; F110-S113 PolarHBondContact O-OG 3.21Å; S113-D115 PolarHBondContact O-N 3.4Å; S113-S118 PolarHBondContact O-OG 3Å |
| 114 | D | 65.3 | Low | 81.9 | Confident | 137 Ų | 137 | 51.2 Ų | 51.2 | 73% | 0.733 | 28% | 0.275 | S | S | * | . | trans | -77.1 | 20.1 | 178.6 | -63.6 | -33.9 | 0 | 0 | 0 | 113.5 | V116 | D114-V116 PolarHBondContact O-N 3.31Š| ||
| 115 | D | 75.3 | Confident | 82.1 | Confident | 48 Ų | 48 | 47.4 Ų | 47.4 | 26% | 0.257 | 26% | 0.258 | S | S | . | . | trans | -65.6 | 130.3 | 177.3 | -171.2 | -21.5 | 0 | 0 | 0 | 110.4 | F110 S113 R117 S118 | F110-D115 HydrophobicContact CE2-CB 4.34Å; S113-D115 PolarHBondContact O-N 3.4Å; D115-R117 PolarHBondContact O-N 3.04Å; D115-R117 VanDerWaalsContact O-N 3.12Å; D115-R117 PolarHBondContact OD1-N 3.27Å; D115-R117 IonicContact OD1-NE 2.81Å; D115-R117 IonicContact OD2-CZ 3.74Å; D115-R117 IonicContact OD2-NE 2.68Å; D115-R117 PolarHBondContact OD2-NE 3.25Å; D115-R117 IonicContact OD2-NH2 3.84Å; D115-R117 PolarHBondContact OD2-NH2 3.1Å; D115-S118 VanDerWaalsContact O-CB 3.3Å; D115-S118 WeakPolarHBondContact O-CB 3.45Å; D115-S118 PolarHBondContact O-N 3.19Å; D115-S118 PolarHBondContact O-OG 3.4Å | ||
| 116 | V | 75.1 | Confident | 82.4 | Confident | 101 Ų | 101 | 45.5 Ų | 45.5 | 61% | 0.612 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -54.5 | -32.9 | 176.2 | -179.4 | 0 | 0 | 0 | 0 | 111.8 | D114 S118 K119 Q120 | D114-V116 PolarHBondContact O-N 3.31Å; V116-S118 VanDerWaalsContact C-N 3.29Å; V116-S118 PolarHBondContact O-N 2.99Å; V116-K119 PolarHBondContact O-N 3.41Å; V116-Q120 PolarHBondContact O-N 3.37Å |
| 117 | R | 78.3 | Confident | 82.5 | Confident | 130 Ų | 130 | 41.4 Ų | 41.4 | 49% | 0.491 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -66.4 | -29.1 | 176.4 | -71 | -179.4 | -66.6 | 175.5 | 1.2 | 112.7 | F110 D115 K119 Q120 T121 | F110-R117 HydrophobicContact CE2-CB 4.35Å; F110-R117 HydrophobicContact CZ-CB 4.01Å; D115-R117 PolarHBondContact O-N 3.04Å; D115-R117 VanDerWaalsContact O-N 3.12Å; D115-R117 PolarHBondContact OD1-N 3.27Å; D115-R117 IonicContact OD1-NE 2.81Å; D115-R117 IonicContact OD2-CZ 3.74Å; D115-R117 IonicContact OD2-NE 2.68Å; D115-R117 PolarHBondContact OD2-NE 3.25Å; D115-R117 IonicContact OD2-NH2 3.84Å; D115-R117 PolarHBondContact OD2-NH2 3.1Å; R117-K119 VanDerWaalsContact C-N 3.26Å; R117-K119 PolarHBondContact O-N 2.93Å; R117-Q120 PolarHBondContact O-N 3.33Å; R117-T121 PolarHBondContact O-N 3.1Å; R117-T121 VanDerWaalsContact O-N 3.15Å; R117-T121 PolarHBondContact O-OG1 3.43Å |
| 118 | S | 79.7 | Confident | 82.3 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 3% | 0.028 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66 | -31.4 | 176.2 | 86.5 | 0 | 0 | 0 | 0 | 111.4 | S113 D115 V116 R143 | S113-S118 PolarHBondContact O-OG 3Å; D115-S118 VanDerWaalsContact O-CB 3.3Å; D115-S118 WeakPolarHBondContact O-CB 3.45Å; D115-S118 PolarHBondContact O-N 3.19Å; D115-S118 PolarHBondContact O-OG 3.4Å; V116-S118 VanDerWaalsContact C-N 3.29Å; V116-S118 PolarHBondContact O-N 2.99Å; S118-R143 PolarHBondContact O-NH1 2.89Å |
| 119 | K | 74 | Confident | 81.6 | Confident | 92 Ų | 92 | 47.6 Ų | 47.6 | 40% | 0.4 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -73.6 | -27.6 | 174 | -62.6 | -170.8 | -179 | -172.1 | 0 | 113.1 | V116 R117 E1123 | V116-K119 PolarHBondContact O-N 3.41Å; R117-K119 VanDerWaalsContact C-N 3.26Å; R117-K119 PolarHBondContact O-N 2.93Å; K119-E1123 WeakPolarHBondContact CE-OE2 3.37Å; K119-E1123 IonicContact NZ-OE1 3.92Å; K119-E1123 PolarHBondContact NZ-OE1 3.42Å; K119-E1123 IonicContact NZ-OE2 3.22Å; K119-E1123 PolarHBondContact NZ-OE2 3.21Å |
| 120 | Q | 83.4 | Confident | 80.6 | Confident | 74 Ų | 74 | 48.4 Ų | 48.4 | 35% | 0.346 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -88.1 | -4.8 | 177.1 | -64.9 | -174.8 | -4.6 | 0 | 0 | 113.7 | K72 Y73 V116 R117 | K72-Q120 PolarHBondContact N-O 2.78Å; Y73-Q120 HydrophobicContact CD2-CB 4.01Å; Y73-Q120 HydrophobicContact CE2-CB 4.27Å; Y73-Q120 PolarHBondContact N-O 3.47Å; V116-Q120 PolarHBondContact O-N 3.37Å; R117-Q120 PolarHBondContact O-N 3.33Å |
| 121 | T | 86.8 | Confident | 78.9 | Confident | 2 Ų | 2 | 52.6 Ų | 52.6 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.6 | 128.1 | -179.9 | -53.4 | 0 | 0 | 0 | 0 | 109.7 | Y73 A75 F111 R117 | Y73-T121 WeakPolarHBondContact O-CA 3.3Å; A75-T121 HydrophobicContact CB-CG2 4.22Å; F111-T121 HydrophobicContact CE1-CG2 3.73Å; F111-T121 HydrophobicContact CZ-CG2 3.56Å; R117-T121 PolarHBondContact O-N 3.1Å; R117-T121 VanDerWaalsContact O-N 3.15Å; R117-T121 PolarHBondContact O-OG1 3.43Å |
| 122 | L | 85.8 | Confident | 77.8 | Confident | 4 Ų | 4 | 57.7 Ų | 57.7 | 2% | 0.021 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.8 | -42.8 | -176.2 | -179.7 | 66.3 | 0 | 0 | 0 | 112.5 | F69 H71 Y73 M74 L96 L142 E177 | F69-L122 HydrophobicContact CD1-CD1 4.46Å; F69-L122 HydrophobicContact CD1-CD2 3.58Å; F69-L122 HydrophobicContact CE1-CD2 3.59Å; H71-L122 HydrophobicContact CB-CB 3.79Å; H71-L122 HydrophobicContact CB-CD1 4.46Å; H71-L122 VanDerWaalsContact ND1-CD1 3.35Å; H71-L122 WeakPolarHBondContact ND1-CD1 3.45Å; Y73-L122 PolarHBondContact O-N 3.41Å; M74-L122 HydrophobicContact SD-CB 4.09Å; M74-L122 HydrophobicContact SD-CD2 4.27Å; M74-L122 HydrophobicContact SD-CG 4.48Å; L96-L122 HydrophobicContact CD1-CD2 3.73Å; L122-L142 HydrophobicContact CD1-CD2 4.46Å; L122-L142 HydrophobicContact CD2-CD2 4.18Å; L122-L142 HydrophobicContact CG-CD2 3.75Å; L122-E177 HydrophobicContact CD1-CG 4.32Å |
| 123 | G | 88.6 | Confident | 77.1 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 170.7 | -159.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | A75 F111 R141 | A75-G123 WeakPolarHBondContact CB-O 3.5Å; A75-G123 PolarHBondContact N-O 2.87Å; F111-G123 VanDerWaalsContact CZ-C 3.49Å; F111-G123 WeakPolarHBondContact CZ-O 3.37Å; G123-R141 CarbonylContact C-O 3.57Å; G123-R141 VanDerWaalsContact CA-O 3.3Å; G123-R141 WeakPolarHBondContact CA-O 3.49Å |
| 124 | A | 90.1 | Very high | 76.5 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.008 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 142.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.5 | A75 F111 I126 R141 | A75-A124 HydrophobicContact CB-CB 3.99Å; A75-A124 CarbonylContact O-C 3.53Å; A75-A124 VanDerWaalsContact O-CA 3.27Å; A75-A124 WeakPolarHBondContact O-CA 3.35Å; F111-A124 HydrophobicContact CE2-CB 3.93Å; A124-I126 HydrophobicContact CB-CD1 4.21Å; A124-R141 HydrophobicContact CB-CB 4.45Å; A124-R141 PolarHBondContact N-O 3.23Å; A124-R141 PolarHBondContact O-N 3.28Å |
| 125 | V | 91.8 | Very high | 76.7 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 118.9 | 165.8 | -172.5 | 0 | 0 | 0 | 0 | 109.2 | M74 A75 Y76 A77 M87 F127 Y138 T139 I185 | M74-V125 HydrophobicContact CE-CG2 3.43Å; M74-V125 VanDerWaalsContact CE-CG2 3.43Å; M74-V125 HydrophobicContact CG-CG2 4.45Å; A75-V125 PolarHBondContact O-N 2.85Å; Y76-V125 CarbonylContact C-O 3.59Å; Y76-V125 WeakPolarHBondContact CA-O 3.49Å; A77-V125 PolarHBondContact N-O 2.85Å; M87-V125 HydrophobicContact CE-CG2 4.32Å; M87-V125 HydrophobicContact SD-CB 4.41Å; M87-V125 HydrophobicContact SD-CG2 4.23Å; V125-F127 HydrophobicContact CB-CE2 4.14Å; V125-F127 HydrophobicContact CB-CZ 4.42Å; V125-F127 HydrophobicContact CG1-CD2 4.2Å; V125-F127 HydrophobicContact CG1-CE1 4.08Å; V125-F127 HydrophobicContact CG1-CE2 3.67Å; V125-F127 HydrophobicContact CG1-CZ 3.6Å; V125-Y138 HydrophobicContact CG1-CD2 4.03Å; V125-T139 WeakPolarHBondContact CA-O 3.34Å; V125-I185 HydrophobicContact CG1-CD1 4.15Å; V125-I185 HydrophobicContact CG2-CD1 3.79Å |
| 126 | I | 91.8 | Very high | 76.9 | Confident | 9 Ų | 9 | 50.3 Ų | 50.3 | 5% | 0.046 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 113.6 | 177.1 | -47.9 | -58.1 | 0 | 0 | 0 | 108.3 | A77 E104 A124 Y138 T139 R141 | A77-I126 HydrophobicContact CB-CD1 3.99Å; A77-I126 CarbonylContact O-C 3.53Å; A77-I126 WeakPolarHBondContact O-CA 3.49Å; E104-I126 HydrophobicContact CB-CD1 4.22Å; E104-I126 HydrophobicContact CB-CG2 4.21Å; E104-I126 HydrophobicContact CG-CD1 3.9Å; E104-I126 HydrophobicContact CG-CG1 4.03Å; E104-I126 HydrophobicContact CG-CG2 4.24Å; A124-I126 HydrophobicContact CB-CD1 4.21Å; I126-Y138 CarbonylContact O-C 3.48Å; I126-Y138 VanDerWaalsContact O-CA 3.3Å; I126-Y138 WeakPolarHBondContact O-CA 3.43Å; I126-T139 PolarHBondContact N-O 3.25Å; I126-T139 PolarHBondContact O-N 3.34Å; I126-R141 HydrophobicContact CG1-CG 4.14Å |
| 127 | F | 88.7 | Confident | 77.5 | Confident | 6 Ų | 6 | 47 Ų | 47 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 133.3 | 174.2 | -64.2 | -82.9 | 0 | 0 | 0 | 109.2 | A77 P78 N83 I86 M87 V125 Y138 | A77-F127 PolarHBondContact O-N 2.86Å; P78-F127 WeakPolarHBondContact CD-O 3.31Å; N83-F127 HydrophobicContact CB-CD2 4.04Å; N83-F127 HydrophobicContact CB-CE2 4.26Å; N83-F127 WeakPolarHBondContact OD1-CG 2.92Å; I86-F127 HydrophobicContact CD1-CE1 4.3Å; I86-F127 HydrophobicContact CG2-CE1 4.23Å; I86-F127 HydrophobicContact CG2-CZ 3.96Å; M87-F127 HydrophobicContact CG-CE2 4.16Å; M87-F127 HydrophobicContact CG-CZ 4.45Å; M87-F127 HydrophobicContact SD-CE2 4.11Å; M87-F127 HydrophobicContact SD-CZ 4.08Å; V125-F127 HydrophobicContact CB-CE2 4.14Å; V125-F127 HydrophobicContact CB-CZ 4.42Å; V125-F127 HydrophobicContact CG1-CD2 4.2Å; V125-F127 HydrophobicContact CG1-CE1 4.08Å; V125-F127 HydrophobicContact CG1-CE2 3.67Å; V125-F127 HydrophobicContact CG1-CZ 3.6Å; F127-Y138 HydrophobicContact CE1-CG 4.49Å |
| 128 | D | 81.9 | Confident | 78.2 | Confident | 42 Ų | 42 | 40.9 Ų | 40.9 | 23% | 0.225 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -72 | 148.5 | 171.8 | -67.6 | -37.7 | 0 | 0 | 0 | 109.3 | F130 S137 R968 | D128-F130 PolarHBondContact O-N 3.47Å; D128-F130 VanDerWaalsContact O-N 3.14Å; D128-S137 VanDerWaalsContact CB-OG 3.23Å; D128-S137 WeakPolarHBondContact CB-OG 3.39Å; D128-S137 VanDerWaalsContact CG-OG 3.29Å; D128-S137 PolarHBondContact N-O 3.26Å; D128-S137 VanDerWaalsContact N-O 3.08Å; D128-S137 WeakPolarHBondContact OD2-CB 3.35Å; D128-S137 PolarHBondContact OD2-OG 3.32Å; D128-R968 IonicContact OD1-CZ 3.6Å; D128-R968 IonicContact OD1-NH1 3.51Å; D128-R968 PolarHBondContact OD1-NH1 3.13Å; D128-R968 IonicContact OD1-NH2 2.73Å; D128-R968 IonicContact OD2-CZ 2.71Å; D128-R968 IonicContact OD2-NH1 3.79Å; D128-R968 PolarHBondContact OD2-NH1 3.43Å; D128-R968 IonicContact OD2-NH2 2.67Å; D128-R968 PolarHBondContact OD2-NH2 3.06Å |
| 129 | P | 70.4 | Confident | 78.7 | Confident | 114 Ų | 114 | 40.9 Ų | 40.9 | 74% | 0.74 | 23% | 0.225 | S | C | * | . | P | Polyproline II helix | trans | -60.3 | 119.8 | -178.5 | 12 | -17.4 | 0 | 0 | 0 | 111.1 | S131 | P129-S131 PolarHBondContact O-N 3.16Š|
| 130 | F | 62.6 | Low | 79.5 | Confident | 70 Ų | 70 | 36.5 Ų | 36.5 | 31% | 0.307 | 21% | 0.206 | S | C | . | . | trans | -60.8 | 100.7 | -174.9 | -73.4 | -94.5 | 0 | 0 | 0 | 111.8 | I82 N83 I86 D128 T136 | I82-F130 HydrophobicContact CG2-CE2 4.32Å; I82-F130 HydrophobicContact CG2-CZ 4.18Å; N83-F130 VanDerWaalsContact OD1-CE2 3.27Å; N83-F130 WeakPolarHBondContact OD1-CE2 3.35Å; I86-F130 HydrophobicContact CD1-CZ 4.11Å; D128-F130 PolarHBondContact O-N 3.47Å; D128-F130 VanDerWaalsContact O-N 3.14Å; F130-T136 HydrophobicContact CD1-CG2 4.24Å; F130-T136 HydrophobicContact CE1-CG2 3.74Å | ||
| 131 | S | 52.6 | Low | 79.8 | Confident | 110 Ų | 110 | 33.7 Ų | 33.7 | 77% | 0.769 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -93.9 | -17.1 | 172.6 | 63 | 0 | 0 | 0 | 0 | 113.7 | P129 | P129-S131 PolarHBondContact O-N 3.16Š|
| 132 | N | 59 | Low | 79.7 | Confident | 111 Ų | 111 | 33.6 Ų | 33.6 | 59% | 0.594 | 19% | 0.192 | S | C | * | . | trans | -164.1 | 133.3 | 171.2 | -89.8 | -33.5 | 0 | 0 | 0 | 110.7 | S134 V135 | N132-S134 PolarHBondContact O-N 2.84Å; N132-S134 VanDerWaalsContact O-N 3.1Å; N132-V135 PolarHBondContact O-N 2.99Å | ||
| 133 | F | 61.5 | Low | 79.3 | Confident | 100 Ų | 100 | 35.9 Ų | 35.9 | 44% | 0.439 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.5 | -22 | 179.1 | -80.1 | -82.4 | 0 | 0 | 0 | 114 | I82 V135 L1102 | I82-F133 HydrophobicContact CD1-CZ 4.33Å; F133-V135 VanDerWaalsContact C-N 3.28Å; F133-V135 PolarHBondContact O-N 2.99Å; F133-L1102 WeakPolarHBondContact O-CD2 3.44Å |
| 134 | S | 64.8 | Low | 78.2 | Confident | 14 Ų | 14 | 37.4 Ų | 37.4 | 10% | 0.098 | 21% | 0.211 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -68.1 | -23.5 | 179.8 | 56 | 0 | 0 | 0 | 0 | 114.1 | N132 P1109 Q1110 | N132-S134 PolarHBondContact O-N 2.84Å; N132-S134 VanDerWaalsContact O-N 3.1Å; S134-P1109 VanDerWaalsContact O-CA 3.29Å; S134-P1109 WeakPolarHBondContact O-CA 3.44Å; S134-Q1110 PolarHBondContact O-N 3.11Å |
| 135 | V | 69.8 | Low | 76.9 | Confident | 62 Ų | 62 | 41.4 Ų | 41.4 | 38% | 0.376 | 23% | 0.228 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.6 | 104.6 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | N132 F133 Y1112 | N132-V135 PolarHBondContact O-N 2.99Å; F133-V135 VanDerWaalsContact C-N 3.28Å; F133-V135 PolarHBondContact O-N 2.99Å; V135-Y1112 HydrophobicContact CG1-CD2 3.54Å; V135-Y1112 HydrophobicContact CG1-CE2 3.52Å |
| 136 | T | 79.2 | Confident | 75.2 | Confident | 10 Ų | 10 | 44.9 Ų | 44.9 | 6% | 0.061 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 128.1 | 178.8 | 54.1 | 0 | 0 | 0 | 0 | 110.2 | F130 Q1110 I1111 Y1112 | F130-T136 HydrophobicContact CD1-CG2 4.24Å; F130-T136 HydrophobicContact CE1-CG2 3.74Å; T136-Q1110 PolarHBondContact N-O 2.97Å; T136-I1111 WeakPolarHBondContact O-CA 3.24Å; T136-Y1112 PolarHBondContact O-N 3.47Å |
| 137 | S | 87.8 | Confident | 73.5 | Confident | 32 Ų | 32 | 49.6 Ų | 49.6 | 22% | 0.224 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 138.7 | 178.4 | 55 | 0 | 0 | 0 | 0 | 112.3 | D128 Y1112 | D128-S137 VanDerWaalsContact CB-OG 3.23Å; D128-S137 WeakPolarHBondContact CB-OG 3.39Å; D128-S137 VanDerWaalsContact CG-OG 3.29Å; D128-S137 PolarHBondContact N-O 3.26Å; D128-S137 VanDerWaalsContact N-O 3.08Å; D128-S137 WeakPolarHBondContact OD2-CB 3.35Å; D128-S137 PolarHBondContact OD2-OG 3.32Å; S137-Y1112 VanDerWaalsContact CA-O 3.23Å; S137-Y1112 WeakPolarHBondContact CA-O 3.36Å |
| 138 | Y | 91.4 | Very high | 72.4 | Confident | 1 Ų | 1 | 50 Ų | 50 | 0% | 0.004 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 155.6 | 177.1 | 70.3 | -89.9 | 0 | 0 | 0 | 111.8 | V125 I126 F127 I140 Q182 I185 D186 L189 I1111 Y1112 V1113 S1114 | V125-Y138 HydrophobicContact CG1-CD2 4.03Å; I126-Y138 CarbonylContact O-C 3.48Å; I126-Y138 VanDerWaalsContact O-CA 3.3Å; I126-Y138 WeakPolarHBondContact O-CA 3.43Å; F127-Y138 HydrophobicContact CE1-CG 4.49Å; Y138-I140 HydrophobicContact CD2-CG1 4.05Å; Y138-I140 HydrophobicContact CE2-CD1 3.91Å; Y138-I140 HydrophobicContact CE2-CG1 3.73Å; Y138-Q182 PolarHBondContact OH-O 2.87Å; Y138-I185 HydrophobicContact CD1-CG2 4.11Å; Y138-I185 HydrophobicContact CD2-CD1 4.32Å; Y138-I185 HydrophobicContact CD2-CG2 4.19Å; Y138-I185 HydrophobicContact CE1-CG2 3.69Å; Y138-I185 HydrophobicContact CE2-CB 4.21Å; Y138-I185 HydrophobicContact CE2-CD1 3.82Å; Y138-I185 HydrophobicContact CE2-CG2 3.78Å; Y138-I185 HydrophobicContact CG-CG2 4.34Å; Y138-D186 WeakPolarHBondContact CE1-OD1 3.41Å; Y138-D186 PolarHBondContact OH-OD1 2.87Å; Y138-L189 HydrophobicContact CD1-CD1 4.04Å; Y138-L189 HydrophobicContact CE1-CD1 3.9Å; Y138-I1111 HydrophobicContact CD1-CG2 4.19Å; Y138-I1111 HydrophobicContact CE1-CG2 3.68Å; Y138-Y1112 PolarHBondContact N-O 3.49Å; Y138-V1113 HydrophobicContact CD2-CG1 4.43Å; Y138-V1113 HydrophobicContact CE1-CG2 3.73Å; Y138-V1113 HydrophobicContact CE2-CG1 3.72Å; Y138-V1113 HydrophobicContact CE2-CG2 4.38Å; Y138-V1113 WeakPolarHBondContact OH-CG2 3.32Å; Y138-S1114 PolarHBondContact O-N 3.3Å; Y138-S1114 PolarHBondContact O-OG 3.49Å |
| 139 | T | 91.2 | Very high | 71.9 | Confident | 4 Ų | 4 | 49.9 Ų | 49.9 | 3% | 0.025 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 123.6 | -179.1 | -45.9 | 0 | 0 | 0 | 0 | 109.4 | V125 I126 R141 S1114 Q1116 | V125-T139 WeakPolarHBondContact CA-O 3.34Å; I126-T139 PolarHBondContact N-O 3.25Å; I126-T139 PolarHBondContact O-N 3.34Å; T139-R141 HydrophobicContact CG2-CG 4.28Å; T139-S1114 WeakPolarHBondContact CA-O 3.19Å; T139-S1114 WeakPolarHBondContact CA-OG 3.46Å; T139-S1114 WeakPolarHBondContact CB-OG 3.1Å; T139-S1114 WeakPolarHBondContact CG2-OG 3.48Å; T139-S1114 PolarHBondContact OG1-OG 2.99Å; T139-Q1116 HydrophobicContact CG2-CB 3.75Å |
| 140 | I | 90.3 | Very high | 72.3 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.2 | 125 | 171.5 | -62.3 | 177.4 | 0 | 0 | 0 | 108.3 | Y138 L142 F178 L181 Q182 I185 V1113 S1114 Q1116 | Y138-I140 HydrophobicContact CD2-CG1 4.05Å; Y138-I140 HydrophobicContact CE2-CD1 3.91Å; Y138-I140 HydrophobicContact CE2-CG1 3.73Å; I140-L142 HydrophobicContact CG2-CD1 4.17Å; I140-L142 HydrophobicContact CG2-CD2 4.45Å; I140-L142 HydrophobicContact CG2-CG 3.79Å; I140-F178 HydrophobicContact CB-CD2 4.32Å; I140-F178 HydrophobicContact CB-CE2 3.62Å; I140-F178 HydrophobicContact CB-CZ 4.07Å; I140-F178 HydrophobicContact CD1-CD2 4.48Å; I140-F178 HydrophobicContact CD1-CE1 4.22Å; I140-F178 HydrophobicContact CD1-CE2 4.07Å; I140-F178 HydrophobicContact CD1-CZ 3.91Å; I140-F178 HydrophobicContact CG1-CE2 4.41Å; I140-F178 HydrophobicContact CG1-CZ 4.46Å; I140-F178 HydrophobicContact CG2-CD2 3.8Å; I140-F178 HydrophobicContact CG2-CE2 3.6Å; I140-F178 HydrophobicContact CG2-CZ 4.43Å; I140-L181 HydrophobicContact CD1-CD2 4.22Å; I140-L181 HydrophobicContact CD1-CG 4.34Å; I140-L181 HydrophobicContact CG1-CD2 4.43Å; I140-L181 HydrophobicContact CG2-CD2 3.76Å; I140-Q182 HydrophobicContact CD1-CB 4.05Å; I140-I185 HydrophobicContact CD1-CD1 4.28Å; I140-I185 HydrophobicContact CG1-CD1 4.33Å; I140-V1113 HydrophobicContact CD1-CG1 4.49Å; I140-S1114 PolarHBondContact N-O 3.28Å; I140-Q1116 PolarHBondContact O-N 3.48Å; I140-Q1116 VanDerWaalsContact O-N 3.1Å |
| 141 | R | 88.9 | Confident | 72.9 | Confident | 16 Ų | 16 | 47 Ų | 47 | 6% | 0.06 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 103.8 | 174 | -46.9 | -170.7 | 103 | 160.5 | 24 | 110.5 | E104 G123 A124 I126 T139 Q1116 L1118 | E104-R141 VanDerWaalsContact CD-NH1 3.34Å; E104-R141 VanDerWaalsContact CG-NH1 3.26Å; E104-R141 IonicContact OE1-CZ 2.98Å; E104-R141 IonicContact OE1-NH1 2.9Å; E104-R141 PolarHBondContact OE1-NH1 2.91Å; E104-R141 IonicContact OE1-NH2 3.72Å; E104-R141 PolarHBondContact OE1-NH2 3.38Å; G123-R141 CarbonylContact C-O 3.57Å; G123-R141 VanDerWaalsContact CA-O 3.3Å; G123-R141 WeakPolarHBondContact CA-O 3.49Å; A124-R141 HydrophobicContact CB-CB 4.45Å; A124-R141 PolarHBondContact N-O 3.23Å; A124-R141 PolarHBondContact O-N 3.28Å; I126-R141 HydrophobicContact CG1-CG 4.14Å; T139-R141 HydrophobicContact CG2-CG 4.28Å; R141-Q1116 WeakPolarHBondContact CA-O 3.25Å; R141-Q1116 WeakPolarHBondContact CB-O 3.25Å; R141-Q1116 VanDerWaalsContact CG-O 3.22Å; R141-Q1116 WeakPolarHBondContact CG-O 3.43Å; R141-L1118 HydrophobicContact CB-CD2 4.08Å; R141-L1118 HydrophobicContact CB-CG 4.09Å |
| 142 | L | 85.5 | Confident | 73.9 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 163.1 | 175.2 | -67.9 | -176.8 | 0 | 0 | 0 | 110.3 | M74 L122 I140 S144 W148 E177 F178 L181 L1118 | M74-L142 HydrophobicContact CE-CD2 4.49Å; L122-L142 HydrophobicContact CD1-CD2 4.46Å; L122-L142 HydrophobicContact CD2-CD2 4.18Å; L122-L142 HydrophobicContact CG-CD2 3.75Å; I140-L142 HydrophobicContact CG2-CD1 4.17Å; I140-L142 HydrophobicContact CG2-CD2 4.45Å; I140-L142 HydrophobicContact CG2-CG 3.79Å; L142-S144 PolarHBondContact O-N 3.46Å; L142-W148 HydrophobicContact CB-CH2 3.37Å; L142-W148 HydrophobicContact CB-CZ2 4.28Å; L142-W148 HydrophobicContact CB-CZ3 3.62Å; L142-W148 HydrophobicContact CD1-CH2 3.64Å; L142-W148 HydrophobicContact CD1-CZ3 4.25Å; L142-W148 HydrophobicContact CG-CH2 3.98Å; L142-E177 HydrophobicContact CD1-CB 4.05Å; L142-F178 HydrophobicContact CD1-CB 4.18Å; L142-F178 HydrophobicContact CD1-CD2 4.12Å; L142-L181 HydrophobicContact CD2-CD2 4.37Å; L142-L1118 PolarHBondContact O-N 3.05Å |
| 143 | R | 77.4 | Confident | 74.8 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 20% | 0.196 | 22% | 0.217 | C | C | . | . | B | Isolated β-bridge | trans | -67.8 | 127 | -179.6 | -158.4 | 172.2 | -125.2 | 139.4 | 4.3 | 109.9 | S118 K145 E1124 | S118-R143 PolarHBondContact O-NH1 2.89Å; R143-K145 PolarHBondContact O-N 3.32Å; R143-E1124 WeakPolarHBondContact CD-OE1 3.24Å; R143-E1124 WeakPolarHBondContact CG-OE1 3.3Å; R143-E1124 IonicContact CZ-OE1 2.91Å; R143-E1124 IonicContact NE-OE1 2.94Å; R143-E1124 PolarHBondContact NE-OE1 2.88Å |
| 144 | S | 65.9 | Low | 75.5 | Confident | 32 Ų | 32 | 38.1 Ų | 38.1 | 22% | 0.224 | 20% | 0.203 | C | C | . | . | P | Polyproline II helix | trans | -71.1 | 127.3 | -177.4 | -167.9 | 0 | 0 | 0 | 0 | 111.1 | L142 W148 | L142-S144 PolarHBondContact O-N 3.46Å; S144-W148 PolarHBondContact OG-O 2.84Å; S144-W148 VanDerWaalsContact OG-O 3.14Å |
| 145 | K | 61.6 | Low | 75.8 | Confident | 85 Ų | 85 | 38.5 Ų | 38.5 | 37% | 0.37 | 21% | 0.205 | S | C | . | . | P | Polyproline II helix | trans | -101.5 | 160.5 | 167.5 | -65.8 | 176.6 | -172.3 | 161.3 | 0 | 108 | R143 D147 W148 P172 E177 | R143-K145 PolarHBondContact O-N 3.32Å; K145-D147 PolarHBondContact O-N 3.44Å; K145-W148 PolarHBondContact O-N 3.11Å; K145-P172 HydrophobicContact CB-CG 4.03Å; K145-P172 HydrophobicContact CD-CG 4.13Å; K145-E177 IonicContact NZ-OE1 2.78Å; K145-E177 PolarHBondContact NZ-OE1 3.46Å; K145-E177 IonicContact NZ-OE2 3.53Å |
| 146 | S | 56.2 | Low | 75.3 | Confident | 73 Ų | 73 | 39.2 Ų | 39.2 | 51% | 0.51 | 21% | 0.205 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -43.5 | -28.5 | -165.4 | 60.9 | 0 | 0 | 0 | 0 | 117.7 | ||
| 147 | D | 57.4 | Low | 74.4 | Confident | 108 Ų | 108 | 41 Ų | 41 | 58% | 0.578 | 21% | 0.213 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -107.6 | 2.7 | -177.2 | -63.4 | -17.8 | 0 | 0 | 0 | 115 | K145 S149 P171 | K145-D147 PolarHBondContact O-N 3.44Å; D147-S149 PolarHBondContact O-N 2.95Å; D147-P171 HydrophobicContact CB-CB 3.41Å; D147-P171 VanDerWaalsContact CB-CB 3.41Å; D147-P171 WeakPolarHBondContact O-CB 3.46Å; D147-P171 WeakPolarHBondContact O-CG 3.21Å |
| 148 | W | 64.8 | Low | 73.5 | Confident | 14 Ų | 14 | 41.2 Ų | 41.2 | 5% | 0.053 | 21% | 0.209 | C | C | . | . | trans | -92.4 | 95 | -174.5 | -168 | -11.4 | 0 | 0 | 0 | 111.9 | L142 S144 K145 F178 N1115 P1117 | L142-W148 HydrophobicContact CB-CH2 3.37Å; L142-W148 HydrophobicContact CB-CZ2 4.28Å; L142-W148 HydrophobicContact CB-CZ3 3.62Å; L142-W148 HydrophobicContact CD1-CH2 3.64Å; L142-W148 HydrophobicContact CD1-CZ3 4.25Å; L142-W148 HydrophobicContact CG-CH2 3.98Å; S144-W148 PolarHBondContact OG-O 2.84Å; S144-W148 VanDerWaalsContact OG-O 3.14Å; K145-W148 PolarHBondContact O-N 3.11Å; W148-F178 HydrophobicContact CH2-CB 4.45Å; W148-F178 AromaticContact CH2-CD2 3.9Å; W148-F178 HydrophobicContact CH2-CD2 3.9Å; W148-F178 AromaticContact CZ2-CD2 3.67Å; W148-F178 HydrophobicContact CZ2-CD2 3.67Å; W148-F178 HydrophobicContact CZ2-CE2 4.21Å; W148-N1115 PolarHBondContact NE1-ND2 2.93Å; W148-P1117 HydrophobicContact CG-CG 4.46Å | ||
| 149 | S | 71.7 | Confident | 72.3 | Confident | 40 Ų | 40 | 46.2 Ų | 46.2 | 28% | 0.28 | 23% | 0.231 | S | C | . | . | trans | -126.7 | 138.6 | 169.8 | -174.7 | 0 | 0 | 0 | 0 | 112.9 | D147 R151 D966 | D147-S149 PolarHBondContact O-N 2.95Å; S149-R151 PolarHBondContact OG-N 3.19Å; S149-D966 WeakPolarHBondContact CA-OD2 3.49Å; S149-D966 WeakPolarHBondContact CB-OD2 3.38Å; S149-D966 PolarHBondContact OG-OD1 3.42Å; S149-D966 PolarHBondContact OG-OD2 3.31Å | ||
| 150 | T | 79.7 | Confident | 71.1 | Confident | 6 Ų | 6 | 46.6 Ų | 46.6 | 4% | 0.037 | 24% | 0.236 | C | C | . | . | S | Bend | trans | -89.8 | -3.3 | 177.3 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | V152 D966 P967 L969 N1115 P1117 | T150-V152 VanDerWaalsContact C-N 3.27Å; T150-V152 PolarHBondContact O-N 3.18Å; T150-D966 PolarHBondContact N-OD2 3.46Å; T150-D966 WeakPolarHBondContact OG1-CB 3.38Å; T150-P967 WeakPolarHBondContact CB-O 3.32Å; T150-P967 PolarHBondContact OG1-O 3.03Å; T150-L969 HydrophobicContact CG2-CB 4.03Å; T150-L969 HydrophobicContact CG2-CD2 4.5Å; T150-N1115 HydrophobicContact CG2-CB 4.18Å; T150-P1117 HydrophobicContact CG2-CG 4.13Å |
| 151 | R | 74.6 | Confident | 70.5 | Confident | 117 Ų | 117 | 46.9 Ų | 46.9 | 44% | 0.442 | 24% | 0.239 | S | C | . | . | S | Bend | trans | -74.4 | -16.9 | 177.9 | -65.9 | -177.8 | -173.5 | -126.9 | 0.5 | 113.7 | S149 S964 P965 D966 P967 | S149-R151 PolarHBondContact OG-N 3.19Å; R151-S964 PolarHBondContact NH2-O 2.83Å; R151-S964 PolarHBondContact NH2-OG 2.63Å; R151-P965 PolarHBondContact NH2-O 3.34Å; R151-D966 WeakPolarHBondContact CD-OD1 3.36Å; R151-D966 IonicContact CZ-OD1 3.79Å; R151-D966 IonicContact NE-OD1 3.53Å; R151-D966 PolarHBondContact NE-OD1 3.35Å; R151-P967 HydrophobicContact CG-CG 3.66Å |
| 152 | V | 73.9 | Confident | 70.1 | Confident | 62 Ų | 62 | 46.8 Ų | 46.8 | 38% | 0.376 | 24% | 0.24 | S | C | . | . | trans | -127.8 | 117.2 | -164.9 | -175.2 | 0 | 0 | 0 | 0 | 109.5 | T150 F154 F1073 H1074 | T150-V152 VanDerWaalsContact C-N 3.27Å; T150-V152 PolarHBondContact O-N 3.18Å; V152-F154 WeakPolarHBondContact CG1-O 2.91Å; V152-F1073 HydrophobicContact CB-CE2 4.46Å; V152-F1073 HydrophobicContact CG1-CD2 4.14Å; V152-F1073 HydrophobicContact CG1-CE2 3.77Å; V152-F1073 VanDerWaalsContact O-CD2 3.32Å; V152-F1073 WeakPolarHBondContact O-CD2 3.47Å; V152-H1074 PolarHBondContact O-NE2 3.15Å | ||
| 153 | L | 77.9 | Confident | 69.8 | Low | 39 Ų | 39 | 49.2 Ų | 49.2 | 20% | 0.204 | 25% | 0.249 | C | C | . | . | S | Bend | trans | -86 | -36 | -178.3 | -63.8 | 174.7 | 0 | 0 | 0 | 113.5 | L969 P975 Y976 F1073 | L153-L969 HydrophobicContact CD2-CD1 3.87Å; L153-L969 HydrophobicContact CD2-CD2 4.15Å; L153-P975 HydrophobicContact CD1-CB 3.61Å; L153-P975 WeakPolarHBondContact CD1-O 3.38Å; L153-P975 HydrophobicContact CD2-CB 3.96Å; L153-P975 HydrophobicContact CG-CB 4.44Å; L153-Y976 HydrophobicContact CB-CE1 3.98Å; L153-Y976 HydrophobicContact CD2-CE2 4.18Å; L153-F1073 PolarHBondContact O-N 3.38Å |
| 154 | F | 75.6 | Confident | 69.8 | Low | 33 Ų | 33 | 48.1 Ų | 48.1 | 15% | 0.145 | 25% | 0.25 | C | C | . | . | S | Bend | trans | -128.3 | 151.1 | 177.2 | -69.1 | -77.2 | 0 | 0 | 0 | 109.2 | V152 M156 F158 Y976 L1043 I1046 F1073 | V152-F154 WeakPolarHBondContact CG1-O 2.91Å; F154-M156 PolarHBondContact O-N 2.81Å; F154-F158 HydrophobicContact CB-CZ 4.27Å; F154-F158 HydrophobicContact CD1-CE1 4.3Å; F154-F158 HydrophobicContact CD1-CZ 4.18Å; F154-F158 HydrophobicContact CG-CZ 4.39Å; F154-Y976 HydrophobicContact CD2-CD1 4.39Å; F154-Y976 HydrophobicContact CD2-CE1 4.27Å; F154-Y976 HydrophobicContact CE1-CD1 4.49Å; F154-Y976 HydrophobicContact CE1-CE1 4.23Å; F154-Y976 AromaticContact CE2-CD1 3.43Å; F154-Y976 HydrophobicContact CE2-CD1 3.43Å; F154-Y976 VanDerWaalsContact CE2-CD1 3.43Å; F154-Y976 AromaticContact CE2-CE1 3.64Å; F154-Y976 HydrophobicContact CE2-CE1 3.64Å; F154-Y976 AromaticContact CZ-CD1 3.5Å; F154-Y976 HydrophobicContact CZ-CD1 3.5Å; F154-Y976 AromaticContact CZ-CE1 3.64Å; F154-Y976 HydrophobicContact CZ-CE1 3.64Å; F154-L1043 HydrophobicContact CD1-CD2 4.32Å; F154-L1043 HydrophobicContact CD2-CD2 4.15Å; F154-L1043 HydrophobicContact CE1-CD2 4.16Å; F154-L1043 HydrophobicContact CE2-CD2 3.97Å; F154-L1043 HydrophobicContact CG-CD2 4.29Å; F154-L1043 HydrophobicContact CZ-CD2 3.95Å; F154-I1046 HydrophobicContact CE1-CD1 4.14Å; F154-I1046 HydrophobicContact CZ-CD1 3.63Å; F154-F1073 VanDerWaalsContact C-CE2 3.43Å |
| 155 | P | 70.4 | Confident | 70.2 | Confident | 23 Ų | 23 | 53.7 Ų | 53.7 | 15% | 0.149 | 27% | 0.27 | C | S | . | . | trans | -54.6 | 134.3 | 169.1 | 27.3 | -36.1 | 0 | 0 | 0 | 108.8 | F157 F158 E1071 F1073 | P155-F157 PolarHBondContact O-N 2.86Å; P155-F158 HydrophobicContact CG-CD1 4.13Å; P155-F158 HydrophobicContact CG-CE1 4.14Å; P155-E1071 VanDerWaalsContact CD-O 3.27Å; P155-E1071 WeakPolarHBondContact CD-O 3.39Å; P155-F1073 HydrophobicContact CB-CE2 4.29Å; P155-F1073 HydrophobicContact CB-CZ 4.15Å; P155-F1073 VanDerWaalsContact N-CE2 3.28Å | ||
| 156 | M | 59.7 | Low | 70.8 | Confident | 76 Ų | 76 | 54.5 Ų | 54.5 | 37% | 0.374 | 28% | 0.279 | S | S | . | . | S | Bend | trans | -53.2 | -27.7 | 177.5 | -171.9 | -179.6 | -177.3 | 0 | 0 | 111.8 | F154 E358 | F154-M156 PolarHBondContact O-N 2.81Å; M156-E358 WeakPolarHBondContact CE-O 3.22Å |
| 157 | F | 61.2 | Low | 71.8 | Confident | 49 Ų | 49 | 53.6 Ų | 53.6 | 22% | 0.215 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -134.8 | 125.9 | 177.7 | -54.1 | -75 | 0 | 0 | 0 | 110.9 | P155 | P155-F157 PolarHBondContact O-N 2.86Š|
| 158 | F | 67.9 | Low | 72.4 | Confident | 36 Ų | 36 | 48.9 Ų | 48.9 | 16% | 0.158 | 24% | 0.244 | C | C | . | . | trans | -76.3 | 129.9 | 174.5 | -67.3 | -74.3 | 0 | 0 | 0 | 110.7 | F154 P155 F1039 L1043 E1071 | F154-F158 HydrophobicContact CB-CZ 4.27Å; F154-F158 HydrophobicContact CD1-CE1 4.3Å; F154-F158 HydrophobicContact CD1-CZ 4.18Å; F154-F158 HydrophobicContact CG-CZ 4.39Å; P155-F158 HydrophobicContact CG-CD1 4.13Å; P155-F158 HydrophobicContact CG-CE1 4.14Å; F158-F1039 HydrophobicContact CE2-CE2 4.47Å; F158-L1043 HydrophobicContact CE2-CD2 3.99Å; F158-L1043 HydrophobicContact CE2-CG 4.4Å; F158-L1043 HydrophobicContact CZ-CD2 3.57Å; F158-L1043 HydrophobicContact CZ-CG 4.18Å; F158-E1071 HydrophobicContact CE1-CB 4.21Å | ||
| 159 | K | 67.6 | Low | 72.3 | Confident | 105 Ų | 105 | 48.3 Ų | 48.3 | 46% | 0.457 | 24% | 0.241 | S | C | . | . | trans | -74.8 | 156.1 | 168.6 | -63.1 | -174.7 | -178.6 | -175.4 | 0 | 109.1 | G161 R1042 | K159-G161 PolarHBondContact O-N 3.16Å; K159-G161 VanDerWaalsContact O-N 3.11Å; K159-G161 VanDerWaalsContact O-O 3.09Å; K159-R1042 PolarHBondContact O-NH1 3.09Å | ||
| 160 | G | 65.9 | Low | 72 | Confident | 13 Ų | 13 | 46.8 Ų | 46.8 | 13% | 0.134 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -57.1 | -27.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | Y215 I216 R1042 | G160-Y215 WeakPolarHBondContact O-CB 3.38Å; G160-I216 CarbonylContact C-O 3.54Å; G160-I216 WeakPolarHBondContact CA-O 3.32Å; G160-R1042 PolarHBondContact O-NH2 3.16Å; G160-R1042 VanDerWaalsContact O-NH2 3.13Å |
| 161 | G | 76.9 | Confident | 71.1 | Confident | 5 Ų | 5 | 47 Ų | 47 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | S | Bend | trans | -110 | -171.6 | 174 | 0 | 0 | 0 | 0 | 0 | 115.6 | K159 F212 | K159-G161 PolarHBondContact O-N 3.16Å; K159-G161 VanDerWaalsContact O-N 3.11Å; K159-G161 VanDerWaalsContact O-O 3.09Å; G161-F212 VanDerWaalsContact C-CZ 3.47Å |
| 162 | P | 79.9 | Confident | 70 | Confident | 15 Ų | 15 | 43.6 Ų | 43.6 | 10% | 0.097 | 23% | 0.226 | C | C | . | . | trans | -65.4 | 142.2 | 177.3 | 27.6 | -32.3 | 0 | 0 | 0 | 110.9 | L56 W58 S164 F212 Y215 E1071 | L56-P162 HydrophobicContact CD1-CG 3.71Å; W58-P162 HydrophobicContact CH2-CB 4.01Å; W58-P162 HydrophobicContact CH2-CG 4.37Å; W58-P162 HydrophobicContact CZ2-CB 4.2Å; W58-P162 HydrophobicContact CZ2-CG 4.35Å; P162-S164 PolarHBondContact O-N 3.32Å; P162-F212 HydrophobicContact CB-CD1 4.33Å; P162-F212 HydrophobicContact CB-CD2 4.06Å; P162-F212 HydrophobicContact CB-CE1 4.41Å; P162-F212 HydrophobicContact CB-CE2 4.12Å; P162-F212 HydrophobicContact CB-CG 4.12Å; P162-F212 HydrophobicContact CB-CZ 4.25Å; P162-F212 HydrophobicContact CG-CD1 4.3Å; P162-F212 HydrophobicContact CG-CE1 4.43Å; P162-F212 HydrophobicContact CG-CG 4.49Å; P162-Y215 VanDerWaalsContact CD-CE1 3.49Å; P162-Y215 HydrophobicContact CG-CE1 4.25Å; P162-E1071 VanDerWaalsContact CA-OE1 3.29Å; P162-E1071 WeakPolarHBondContact CA-OE1 3.31Å | ||
| 163 | R | 79.2 | Confident | 69.3 | Low | 50 Ų | 50 | 43.7 Ų | 43.7 | 19% | 0.189 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -53 | -49.5 | -175.6 | -179.8 | 168 | 64.4 | 80 | -5 | 114.3 | A169 G1070 E1071 S1072 | R163-A169 PolarHBondContact NH1-O 2.77Å; R163-A169 PolarHBondContact NH2-O 2.97Å; R163-G1070 PolarHBondContact NE-O 2.95Å; R163-G1070 PolarHBondContact NH2-O 3.15Å; R163-G1070 VanDerWaalsContact NH2-O 3.16Å; R163-E1071 PolarHBondContact N-OE1 3.38Å; R163-E1071 PolarHBondContact NE-O 3.27Å; R163-E1071 VanDerWaalsContact NE-O 3.09Å; R163-S1072 PolarHBondContact NH2-O 3.21Å; R163-S1072 VanDerWaalsContact NH2-O 3.16Å |
| 164 | S | 77.4 | Confident | 69 | Low | 29 Ų | 29 | 42 Ų | 42 | 20% | 0.203 | 22% | 0.215 | C | C | . | . | trans | -128.4 | 154.5 | 172.5 | 172.1 | 0 | 0 | 0 | 0 | 109.7 | P162 D166 R209 | P162-S164 PolarHBondContact O-N 3.32Å; S164-D166 VanDerWaalsContact C-N 3.31Å; S164-D166 WeakPolarHBondContact OG-CB 3.46Å; S164-D166 VanDerWaalsContact OG-CG 3.28Å; S164-D166 PolarHBondContact OG-N 2.91Å; S164-D166 PolarHBondContact OG-OD2 2.9Å; S164-R209 PolarHBondContact O-NH1 3.33Å; S164-R209 PolarHBondContact O-NH2 3Å | ||
| 165 | K | 74.8 | Confident | 68.5 | Low | 150 Ų | 150 | 44.6 Ų | 44.6 | 65% | 0.652 | 23% | 0.226 | S | C | * | . | S | Bend | trans | -81.6 | -13.4 | 168.9 | -68.2 | -172.3 | 177.3 | -174.8 | 0 | 112.3 | W58 | W58-K165 PolarHBondContact NE1-O 3.32Š|
| 166 | D | 75.1 | Confident | 68.5 | Low | 102 Ų | 102 | 46.9 Ų | 46.9 | 55% | 0.545 | 24% | 0.235 | S | C | . | . | S | Bend | trans | -64.9 | 148.7 | -178.2 | -60.5 | -40.4 | 0 | 0 | 0 | 112.7 | S164 A168 A169 R209 | S164-D166 VanDerWaalsContact C-N 3.31Å; S164-D166 WeakPolarHBondContact OG-CB 3.46Å; S164-D166 VanDerWaalsContact OG-CG 3.28Å; S164-D166 PolarHBondContact OG-N 2.91Å; S164-D166 PolarHBondContact OG-OD2 2.9Å; D166-A168 VanDerWaalsContact C-N 3.34Å; D166-A168 PolarHBondContact O-N 2.74Å; D166-A169 PolarHBondContact O-N 2.83Å; D166-R209 PolarHBondContact O-NH1 3.47Å |
| 167 | I | 75.9 | Confident | 69.5 | Low | 53 Ų | 53 | 44.4 Ų | 44.4 | 27% | 0.272 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -63 | -40.3 | -177.6 | -56.6 | 170.3 | 0 | 0 | 0 | 111.1 | S59 F61 F1068 | S59-I167 VanDerWaalsContact O-CG2 3.24Å; S59-I167 WeakPolarHBondContact O-CG2 3.15Å; F61-I167 HydrophobicContact CD1-CG2 3.5Å; F61-I167 VanDerWaalsContact CD1-CG2 3.5Å; F61-I167 HydrophobicContact CE1-CG2 3.97Å; F61-I167 HydrophobicContact CG-CG2 4.46Å; I167-F1068 WeakPolarHBondContact O-CZ 3.44Å |
| 168 | A | 69.8 | Low | 70.7 | Confident | 10 Ų | 10 | 42.1 Ų | 42.1 | 8% | 0.083 | 21% | 0.212 | C | C | . | . | S | Bend | trans | -89.1 | -9.8 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.8 | F61 D166 S170 K175 | F61-A168 HydrophobicContact CE1-CB 4.45Å; F61-A168 HydrophobicContact CZ-CB 4.19Å; D166-A168 VanDerWaalsContact C-N 3.34Å; D166-A168 PolarHBondContact O-N 2.74Å; A168-S170 WeakPolarHBondContact O-CB 3.49Å; A168-S170 PolarHBondContact O-N 3.02Å; A168-S170 PolarHBondContact O-OG 3.07Å; A168-K175 HydrophobicContact CB-CB 3.86Å |
| 169 | A | 63.7 | Low | 71.5 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | trans | 49.8 | 15.1 | 171.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | R163 D166 R209 | R163-A169 PolarHBondContact NH1-O 2.77Å; R163-A169 PolarHBondContact NH2-O 2.97Å; D166-A169 PolarHBondContact O-N 2.83Å; A169-R209 VanDerWaalsContact CB-CZ 3.41Å | ||
| 170 | S | 65.4 | Low | 72.3 | Confident | 9 Ų | 9 | 36.4 Ų | 36.4 | 6% | 0.063 | 19% | 0.189 | C | C | . | . | S | Bend | trans | -125.8 | 147.5 | -168.6 | -54.5 | 0 | 0 | 0 | 0 | 111.3 | A168 | A168-S170 WeakPolarHBondContact O-CB 3.49Å; A168-S170 PolarHBondContact O-N 3.02Å; A168-S170 PolarHBondContact O-OG 3.07Å |
| 171 | P | 60.5 | Low | 73.4 | Confident | 10 Ų | 10 | 35.8 Ų | 35.8 | 7% | 0.065 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 141.3 | -168.7 | 22.5 | -33.3 | 0 | 0 | 0 | 112.7 | D147 F1073 | D147-P171 HydrophobicContact CB-CB 3.41Å; D147-P171 VanDerWaalsContact CB-CB 3.41Å; D147-P171 WeakPolarHBondContact O-CB 3.46Å; D147-P171 WeakPolarHBondContact O-CG 3.21Å; P171-F1073 HydrophobicContact CG-CD1 3.98Å |
| 172 | P | 52.2 | Low | 74 | Confident | 46 Ų | 46 | 35.6 Ų | 35.6 | 30% | 0.299 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | -69.5 | 119.7 | -103.7 | 32.2 | -25.4 | 0 | 0 | 0 | 110.5 | K145 | K145-P172 HydrophobicContact CB-CG 4.03Å; K145-P172 HydrophobicContact CD-CG 4.13Å | |
| 173 | N | 58.5 | Low | 74.4 | Confident | 63 Ų | 63 | 35.9 Ų | 35.9 | 34% | 0.337 | 18% | 0.18 | S | C | . | . | trans | 87.6 | 41.1 | 163.9 | -51 | -7.9 | 0 | 0 | 0 | 117.4 | K175 E176 E177 | N173-K175 PolarHBondContact O-N 3.28Å; N173-E176 HydrophobicContact CB-CB 3.94Å; N173-E176 HydrophobicContact CB-CG 4.02Å; N173-E176 VanDerWaalsContact ND2-CD 3.28Å; N173-E176 PolarHBondContact ND2-OE2 2.98Å; N173-E176 PolarHBondContact O-N 2.84Å; N173-E177 PolarHBondContact O-N 3.21Å | ||
| 174 | Y | 72.2 | Confident | 74.8 | Confident | 4 Ų | 4 | 33.7 Ų | 33.7 | 2% | 0.016 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -43.8 | -35.5 | 155.9 | -90.8 | -82.3 | 0 | 0 | 0 | 112 | E176 F178 L179 H1074 P1077 N1115 | Y174-E176 PolarHBondContact O-N 3.25Å; Y174-F178 HydrophobicContact CD1-CB 3.66Å; Y174-F178 AromaticContact CD1-CD1 3.56Å; Y174-F178 HydrophobicContact CD1-CD1 3.56Å; Y174-F178 HydrophobicContact CD1-CE1 4.39Å; Y174-F178 AromaticContact CD1-CG 3.68Å; Y174-F178 HydrophobicContact CD1-CG 3.68Å; Y174-F178 HydrophobicContact CE1-CB 4.09Å; Y174-F178 AromaticContact CE1-CD1 3.54Å; Y174-F178 HydrophobicContact CE1-CD1 3.54Å; Y174-F178 HydrophobicContact CE1-CD2 4.18Å; Y174-F178 AromaticContact CE1-CE1 3.99Å; Y174-F178 HydrophobicContact CE1-CE1 3.99Å; Y174-F178 AromaticContact CE1-CG 3.66Å; Y174-F178 HydrophobicContact CE1-CG 3.66Å; Y174-F178 HydrophobicContact CE1-CZ 4.48Å; Y174-F178 HydrophobicContact CG-CB 4.43Å; Y174-L179 WeakPolarHBondContact O-CB 3.47Å; Y174-L179 WeakPolarHBondContact O-CG 3.29Å; Y174-L179 PolarHBondContact O-N 3.5Å; Y174-H1074 AromaticContact CZ-ND1 3.87Å; Y174-H1074 PolarHBondContact OH-CE1 3.47Å; Y174-H1074 PolarHBondContact OH-ND1 3.37Å; Y174-P1077 HydrophobicContact CD1-CB 4.42Å; Y174-P1077 HydrophobicContact CD1-CG 3.95Å; Y174-P1077 HydrophobicContact CE1-CB 4.34Å; Y174-P1077 HydrophobicContact CE1-CG 3.66Å; Y174-N1115 PolarHBondContact OH-ND2 2.89Å |
| 175 | K | 65.1 | Low | 75.3 | Confident | 87 Ų | 87 | 32.3 Ų | 32.3 | 38% | 0.378 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -39.7 | 177.3 | -171.6 | -178.6 | 174.6 | -167.2 | 0 | 114.5 | F61 A168 N173 V180 | F61-K175 HydrophobicContact CD2-CD 4.28Å; F61-K175 HydrophobicContact CD2-CG 4.07Å; F61-K175 HydrophobicContact CE2-CG 3.98Å; A168-K175 HydrophobicContact CB-CB 3.86Å; N173-K175 PolarHBondContact O-N 3.28Å; K175-V180 WeakPolarHBondContact O-CG2 3.37Å |
| 176 | E | 70 | Confident | 76 | Confident | 71 Ų | 71 | 25.2 Ų | 25.2 | 33% | 0.332 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -93.5 | -39.3 | -167.6 | -66 | 179.4 | 176.8 | 0 | 0 | 111.9 | F67 N173 Y174 | F67-E176 WeakPolarHBondContact CD1-O 3.43Å; F67-E176 HydrophobicContact CD2-CB 4.49Å; F67-E176 HydrophobicContact CD2-CG 4.46Å; F67-E176 HydrophobicContact CE1-CB 3.92Å; F67-E176 WeakPolarHBondContact CE1-O 3.37Å; F67-E176 HydrophobicContact CE2-CB 3.79Å; F67-E176 HydrophobicContact CE2-CG 3.71Å; F67-E176 HydrophobicContact CZ-CB 3.48Å; F67-E176 VanDerWaalsContact CZ-CB 3.48Å; F67-E176 HydrophobicContact CZ-CG 3.89Å; N173-E176 HydrophobicContact CB-CB 3.94Å; N173-E176 HydrophobicContact CB-CG 4.02Å; N173-E176 VanDerWaalsContact ND2-CD 3.28Å; N173-E176 PolarHBondContact ND2-OE2 2.98Å; N173-E176 PolarHBondContact O-N 2.84Å; Y174-E176 PolarHBondContact O-N 3.25Å |
| 177 | E | 80.1 | Confident | 76.5 | Confident | 25 Ų | 25 | 23.6 Ų | 23.6 | 12% | 0.117 | 12% | 0.118 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -109.5 | -66 | -173.3 | -62.5 | 172 | -165.3 | 0 | 0 | 111.1 | L122 L142 K145 N173 L181 | L122-E177 HydrophobicContact CD1-CG 4.32Å; L142-E177 HydrophobicContact CD1-CB 4.05Å; K145-E177 IonicContact NZ-OE1 2.78Å; K145-E177 PolarHBondContact NZ-OE1 3.46Å; K145-E177 IonicContact NZ-OE2 3.53Å; N173-E177 PolarHBondContact O-N 3.21Å; E177-L181 VanDerWaalsContact O-CB 3.3Å; E177-L181 WeakPolarHBondContact O-CB 3.41Å; E177-L181 PolarHBondContact O-N 3.39Å; E177-L181 VanDerWaalsContact O-N 3.1Å |
| 178 | F | 85.9 | Confident | 76.9 | Confident | 1 Ų | 1 | 21 Ų | 21 | 0% | 0.004 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.2 | -48.3 | -168 | -168.3 | -80.2 | 0 | 0 | 0 | 114.2 | I140 L142 W148 Y174 L181 Q182 L971 P1077 N1115 | I140-F178 HydrophobicContact CB-CD2 4.32Å; I140-F178 HydrophobicContact CB-CE2 3.62Å; I140-F178 HydrophobicContact CB-CZ 4.07Å; I140-F178 HydrophobicContact CD1-CD2 4.48Å; I140-F178 HydrophobicContact CD1-CE1 4.22Å; I140-F178 HydrophobicContact CD1-CE2 4.07Å; I140-F178 HydrophobicContact CD1-CZ 3.91Å; I140-F178 HydrophobicContact CG1-CE2 4.41Å; I140-F178 HydrophobicContact CG1-CZ 4.46Å; I140-F178 HydrophobicContact CG2-CD2 3.8Å; I140-F178 HydrophobicContact CG2-CE2 3.6Å; I140-F178 HydrophobicContact CG2-CZ 4.43Å; L142-F178 HydrophobicContact CD1-CB 4.18Å; L142-F178 HydrophobicContact CD1-CD2 4.12Å; W148-F178 HydrophobicContact CH2-CB 4.45Å; W148-F178 AromaticContact CH2-CD2 3.9Å; W148-F178 HydrophobicContact CH2-CD2 3.9Å; W148-F178 AromaticContact CZ2-CD2 3.67Å; W148-F178 HydrophobicContact CZ2-CD2 3.67Å; W148-F178 HydrophobicContact CZ2-CE2 4.21Å; Y174-F178 HydrophobicContact CD1-CB 3.66Å; Y174-F178 AromaticContact CD1-CD1 3.56Å; Y174-F178 HydrophobicContact CD1-CD1 3.56Å; Y174-F178 HydrophobicContact CD1-CE1 4.39Å; Y174-F178 AromaticContact CD1-CG 3.68Å; Y174-F178 HydrophobicContact CD1-CG 3.68Å; Y174-F178 HydrophobicContact CE1-CB 4.09Å; Y174-F178 AromaticContact CE1-CD1 3.54Å; Y174-F178 HydrophobicContact CE1-CD1 3.54Å; Y174-F178 HydrophobicContact CE1-CD2 4.18Å; Y174-F178 AromaticContact CE1-CE1 3.99Å; Y174-F178 HydrophobicContact CE1-CE1 3.99Å; Y174-F178 AromaticContact CE1-CG 3.66Å; Y174-F178 HydrophobicContact CE1-CG 3.66Å; Y174-F178 HydrophobicContact CE1-CZ 4.48Å; Y174-F178 HydrophobicContact CG-CB 4.43Å; F178-L181 PolarHBondContact O-N 2.91Å; F178-Q182 HydrophobicContact CE1-CB 4.47Å; F178-Q182 VanDerWaalsContact O-CB 3.29Å; F178-Q182 WeakPolarHBondContact O-CB 3.47Å; F178-Q182 PolarHBondContact O-N 3.06Å; F178-L971 HydrophobicContact CE1-CD1 3.66Å; F178-L971 HydrophobicContact CZ-CD1 3.61Å; F178-P1077 HydrophobicContact CD1-CB 4.09Å; F178-P1077 HydrophobicContact CE1-CB 3.78Å; F178-P1077 HydrophobicContact CE1-CG 4.42Å; F178-N1115 HydrophobicContact CE2-CB 3.95Å; F178-N1115 VanDerWaalsContact CE2-CG 3.49Å; F178-N1115 HydrophobicContact CZ-CB 3.91Å |
| 179 | L | 85.5 | Confident | 77.7 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | -176.8 | -71.5 | 170.7 | 0 | 0 | 0 | 112 | F61 V63 Y174 Y183 L207 A1076 P1077 L1080 | F61-L179 HydrophobicContact CE2-CD1 4.26Å; F61-L179 HydrophobicContact CZ-CD1 4.31Å; V63-L179 HydrophobicContact CG1-CB 4.2Å; V63-L179 WeakPolarHBondContact CG1-O 3.43Å; Y174-L179 WeakPolarHBondContact O-CB 3.47Å; Y174-L179 WeakPolarHBondContact O-CG 3.29Å; Y174-L179 PolarHBondContact O-N 3.5Å; L179-Y183 VanDerWaalsContact O-CB 3.27Å; L179-Y183 WeakPolarHBondContact O-CB 3.43Å; L179-Y183 PolarHBondContact O-N 2.84Å; L179-L207 HydrophobicContact CD1-CD1 3.89Å; L179-L207 HydrophobicContact CD2-CD1 4.2Å; L179-A1076 HydrophobicContact CD1-CB 4.24Å; L179-A1076 HydrophobicContact CD2-CB 4.47Å; L179-P1077 HydrophobicContact CD2-CB 3.87Å; L179-L1080 HydrophobicContact CB-CD2 4.48Å; L179-L1080 HydrophobicContact CD2-CB 4.39Å; L179-L1080 HydrophobicContact CD2-CD2 3.87Å |
| 180 | V | 85 | Confident | 78.5 | Confident | 20 Ų | 20 | 21.3 Ų | 21.3 | 12% | 0.121 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64 | -46.4 | 176.7 | 179.7 | 0 | 0 | 0 | 0 | 109.6 | F67 F69 K175 Y183 A184 | F67-V180 HydrophobicContact CB-CG2 4.48Å; F69-V180 HydrophobicContact CE2-CG1 3.99Å; F69-V180 HydrophobicContact CZ-CB 4.08Å; F69-V180 HydrophobicContact CZ-CG1 3.81Å; K175-V180 WeakPolarHBondContact O-CG2 3.37Å; V180-Y183 PolarHBondContact O-N 3.43Å; V180-A184 WeakPolarHBondContact O-CB 3.38Å; V180-A184 PolarHBondContact O-N 2.95Å |
| 181 | L | 87.8 | Confident | 79.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -64.2 | -46.2 | 177.9 | -176.7 | 67.1 | 0 | 0 | 0 | 111.7 | M74 V90 I140 L142 E177 F178 Y183 A184 I185 | M74-L181 HydrophobicContact CE-CD1 4.36Å; M74-L181 HydrophobicContact CE-CD2 3.54Å; M74-L181 HydrophobicContact SD-CD2 4.37Å; V90-L181 HydrophobicContact CG1-CD1 4.33Å; I140-L181 HydrophobicContact CD1-CD2 4.22Å; I140-L181 HydrophobicContact CD1-CG 4.34Å; I140-L181 HydrophobicContact CG1-CD2 4.43Å; I140-L181 HydrophobicContact CG2-CD2 3.76Å; L142-L181 HydrophobicContact CD2-CD2 4.37Å; E177-L181 VanDerWaalsContact O-CB 3.3Å; E177-L181 WeakPolarHBondContact O-CB 3.41Å; E177-L181 PolarHBondContact O-N 3.39Å; E177-L181 VanDerWaalsContact O-N 3.1Å; F178-L181 PolarHBondContact O-N 2.91Å; L181-Y183 PolarHBondContact O-N 3.39Å; L181-A184 PolarHBondContact O-N 3.15Å; L181-I185 HydrophobicContact CD1-CD1 4.05Å; L181-I185 HydrophobicContact CD1-CG1 4.42Å; L181-I185 HydrophobicContact CG-CD1 3.81Å; L181-I185 WeakPolarHBondContact O-CD1 3.42Å; L181-I185 VanDerWaalsContact O-CG1 3.24Å; L181-I185 WeakPolarHBondContact O-CG1 3.35Å; L181-I185 PolarHBondContact O-N 3.48Å |
| 182 | Q | 89.4 | Confident | 80.2 | Confident | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.7 | -51 | 175.4 | -179.8 | -175.4 | -3.2 | 0 | 0 | 110.9 | Y138 I140 F178 A184 I185 D186 P1077 L1080 V1113 | Y138-Q182 PolarHBondContact OH-O 2.87Å; I140-Q182 HydrophobicContact CD1-CB 4.05Å; F178-Q182 HydrophobicContact CE1-CB 4.47Å; F178-Q182 VanDerWaalsContact O-CB 3.29Å; F178-Q182 WeakPolarHBondContact O-CB 3.47Å; F178-Q182 PolarHBondContact O-N 3.06Å; Q182-A184 VanDerWaalsContact C-N 3.34Å; Q182-A184 PolarHBondContact O-N 3.37Å; Q182-I185 PolarHBondContact O-N 3.37Å; Q182-D186 WeakPolarHBondContact CG-OD2 3.46Å; Q182-D186 WeakPolarHBondContact O-CB 3.39Å; Q182-D186 VanDerWaalsContact O-CG 3.3Å; Q182-D186 PolarHBondContact O-N 3.19Å; Q182-P1077 PolarHBondContact NE2-O 2.88Å; Q182-L1080 HydrophobicContact CB-CD2 4.45Å; Q182-L1080 HydrophobicContact CG-CD2 4.28Å; Q182-V1113 HydrophobicContact CG-CG1 4.27Å; Q182-V1113 HydrophobicContact CG-CG2 4.42Å |
| 183 | Y | 88.7 | Confident | 81.4 | Confident | 21 Ų | 21 | 24.3 Ų | 24.3 | 8% | 0.082 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.7 | -40.2 | 179.6 | -174.7 | -110.1 | 0 | 0 | 0 | 112.7 | V63 D64 L179 V180 L181 R187 V205 L1080 V1084 | V63-Y183 HydrophobicContact CB-CG 4.34Å; V63-Y183 HydrophobicContact CG1-CD1 4.3Å; V63-Y183 HydrophobicContact CG1-CG 3.97Å; D64-Y183 HydrophobicContact CB-CE1 4.03Å; L179-Y183 VanDerWaalsContact O-CB 3.27Å; L179-Y183 WeakPolarHBondContact O-CB 3.43Å; L179-Y183 PolarHBondContact O-N 2.84Å; V180-Y183 PolarHBondContact O-N 3.43Å; L181-Y183 PolarHBondContact O-N 3.39Å; Y183-R187 WeakPolarHBondContact O-CB 3.42Å; Y183-R187 PolarHBondContact O-N 2.64Å; Y183-R187 PolarHBondContact OH-NH1 3.37Å; Y183-V205 HydrophobicContact CE2-CG2 4.49Å; Y183-L1080 HydrophobicContact CD2-CD1 4.03Å; Y183-V1084 HydrophobicContact CD2-CG2 4.47Å |
| 184 | A | 87.4 | Confident | 82.3 | Confident | 5 Ų | 5 | 21.3 Ų | 21.3 | 4% | 0.041 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.6 | -41.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V90 T94 V180 L181 Q182 S188 | V90-A184 HydrophobicContact CG1-CB 4.35Å; T94-A184 HydrophobicContact CG2-CB 3.73Å; V180-A184 WeakPolarHBondContact O-CB 3.38Å; V180-A184 PolarHBondContact O-N 2.95Å; L181-A184 PolarHBondContact O-N 3.15Å; Q182-A184 VanDerWaalsContact C-N 3.34Å; Q182-A184 PolarHBondContact O-N 3.37Å; A184-S188 VanDerWaalsContact O-CB 3.3Å; A184-S188 WeakPolarHBondContact O-CB 3.29Å; A184-S188 PolarHBondContact O-N 3.48Å; A184-S188 PolarHBondContact O-OG 3.2Å |
| 185 | I | 89.2 | Confident | 82.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -67 | -51.7 | 176.7 | -64.9 | 163.6 | 0 | 0 | 0 | 110.2 | V90 V125 Y138 I140 L181 Q182 R187 S188 L189 | V90-I185 HydrophobicContact CG1-CG1 4.47Å; V90-I185 HydrophobicContact CG2-CB 4.41Å; V90-I185 HydrophobicContact CG2-CG1 3.83Å; V125-I185 HydrophobicContact CG1-CD1 4.15Å; V125-I185 HydrophobicContact CG2-CD1 3.79Å; Y138-I185 HydrophobicContact CD1-CG2 4.11Å; Y138-I185 HydrophobicContact CD2-CD1 4.32Å; Y138-I185 HydrophobicContact CD2-CG2 4.19Å; Y138-I185 HydrophobicContact CE1-CG2 3.69Å; Y138-I185 HydrophobicContact CE2-CB 4.21Å; Y138-I185 HydrophobicContact CE2-CD1 3.82Å; Y138-I185 HydrophobicContact CE2-CG2 3.78Å; Y138-I185 HydrophobicContact CG-CG2 4.34Å; I140-I185 HydrophobicContact CD1-CD1 4.28Å; I140-I185 HydrophobicContact CG1-CD1 4.33Å; L181-I185 HydrophobicContact CD1-CD1 4.05Å; L181-I185 HydrophobicContact CD1-CG1 4.42Å; L181-I185 HydrophobicContact CG-CD1 3.81Å; L181-I185 WeakPolarHBondContact O-CD1 3.42Å; L181-I185 VanDerWaalsContact O-CG1 3.24Å; L181-I185 WeakPolarHBondContact O-CG1 3.35Å; L181-I185 PolarHBondContact O-N 3.48Å; Q182-I185 PolarHBondContact O-N 3.37Å; I185-R187 VanDerWaalsContact C-N 3.31Å; I185-R187 PolarHBondContact O-N 3.43Å; I185-S188 WeakPolarHBondContact O-CB 3.32Å; I185-S188 PolarHBondContact O-N 2.98Å; I185-S188 VanDerWaalsContact O-N 3.09Å; I185-L189 HydrophobicContact CG2-CD1 4.01Å; I185-L189 HydrophobicContact CG2-CG 4.42Å; I185-L189 WeakPolarHBondContact O-CG 3.35Å; I185-L189 PolarHBondContact O-N 3.16Å |
| 186 | D | 88.5 | Confident | 82.2 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.5 | -44.2 | -179.6 | -70.9 | -30.4 | 0 | 0 | 0 | 111.3 | Y138 Q182 S188 L189 I190 V1084 I1111 | Y138-D186 WeakPolarHBondContact CE1-OD1 3.41Å; Y138-D186 PolarHBondContact OH-OD1 2.87Å; Q182-D186 WeakPolarHBondContact CG-OD2 3.46Å; Q182-D186 WeakPolarHBondContact O-CB 3.39Å; Q182-D186 VanDerWaalsContact O-CG 3.3Å; Q182-D186 PolarHBondContact O-N 3.19Å; D186-S188 VanDerWaalsContact C-N 3.34Å; D186-S188 PolarHBondContact O-N 2.83Å; D186-L189 PolarHBondContact O-N 3.04Å; D186-I190 VanDerWaalsContact O-CG1 3.3Å; D186-I190 WeakPolarHBondContact O-CG1 3.46Å; D186-I190 PolarHBondContact O-N 2.96Å; D186-V1084 HydrophobicContact CB-CG1 3.78Å; D186-I1111 WeakPolarHBondContact OD1-CG2 3.28Å |
| 187 | R | 85.3 | Confident | 81.7 | Confident | 68 Ų | 68 | 29.7 Ų | 29.7 | 26% | 0.257 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -65.5 | -37.3 | 176.9 | -172.6 | 170.3 | -176.1 | 164.6 | -4.9 | 112.3 | Y93 Y183 I185 I190 N191 | Y93-R187 HydrophobicContact CE2-CG 4.46Å; Y183-R187 WeakPolarHBondContact O-CB 3.42Å; Y183-R187 PolarHBondContact O-N 2.64Å; Y183-R187 PolarHBondContact OH-NH1 3.37Å; I185-R187 VanDerWaalsContact C-N 3.31Å; I185-R187 PolarHBondContact O-N 3.43Å; R187-I190 PolarHBondContact O-N 3.34Å; R187-N191 WeakPolarHBondContact O-CB 3.33Å; R187-N191 VanDerWaalsContact O-CG 3.23Å; R187-N191 PolarHBondContact O-N 3.35Å |
| 188 | S | 85.3 | Confident | 80.5 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.9 | -42.9 | 174.9 | -60.5 | 0 | 0 | 0 | 0 | 111.3 | T89 V90 A184 I185 D186 I190 N191 I192 | T89-S188 WeakPolarHBondContact CG2-OG 3.14Å; V90-S188 PolarHBondContact N-OG 3.41Å; A184-S188 VanDerWaalsContact O-CB 3.3Å; A184-S188 WeakPolarHBondContact O-CB 3.29Å; A184-S188 PolarHBondContact O-N 3.48Å; A184-S188 PolarHBondContact O-OG 3.2Å; I185-S188 WeakPolarHBondContact O-CB 3.32Å; I185-S188 PolarHBondContact O-N 2.98Å; I185-S188 VanDerWaalsContact O-N 3.09Å; D186-S188 VanDerWaalsContact C-N 3.34Å; D186-S188 PolarHBondContact O-N 2.83Å; S188-I190 PolarHBondContact O-N 3.17Å; S188-N191 PolarHBondContact O-N 3.27Å; S188-I192 WeakPolarHBondContact O-CB 3.37Å; S188-I192 WeakPolarHBondContact O-CD1 3.08Å; S188-I192 VanDerWaalsContact O-CG1 3.25Å; S188-I192 WeakPolarHBondContact O-CG1 3.23Å; S188-I192 PolarHBondContact O-N 3.47Å |
| 189 | L | 85.4 | Confident | 78.8 | Confident | 6 Ų | 6 | 38.5 Ų | 38.5 | 3% | 0.031 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.1 | -42.8 | 174.6 | -73 | 170.5 | 0 | 0 | 0 | 111.7 | I86 Y138 I185 D186 N193 I1111 | I86-L189 HydrophobicContact CD1-CD2 3.68Å; I86-L189 HydrophobicContact CG1-CD2 4.12Å; I86-L189 HydrophobicContact CG2-CD2 4.37Å; Y138-L189 HydrophobicContact CD1-CD1 4.04Å; Y138-L189 HydrophobicContact CE1-CD1 3.9Å; I185-L189 HydrophobicContact CG2-CD1 4.01Å; I185-L189 HydrophobicContact CG2-CG 4.42Å; I185-L189 WeakPolarHBondContact O-CG 3.35Å; I185-L189 PolarHBondContact O-N 3.16Å; D186-L189 PolarHBondContact O-N 3.04Å; L189-N193 WeakPolarHBondContact O-CB 3.32Å; L189-N193 PolarHBondContact O-N 3.26Å; L189-N193 VanDerWaalsContact O-N 3.09Å; L189-N193 PolarHBondContact O-ND2 2.7Å; L189-I1111 HydrophobicContact CB-CD1 4.17Å; L189-I1111 HydrophobicContact CD1-CD1 4.26Å; L189-I1111 HydrophobicContact CD1-CG2 4.07Å |
| 190 | I | 81.8 | Confident | 77.2 | Confident | 11 Ų | 11 | 42.5 Ų | 42.5 | 6% | 0.056 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.8 | -48.3 | 175 | -67.5 | 171 | 0 | 0 | 0 | 110.6 | D186 R187 S188 I192 N193 C194 V1084 L1088 L1091 I1111 | D186-I190 VanDerWaalsContact O-CG1 3.3Å; D186-I190 WeakPolarHBondContact O-CG1 3.46Å; D186-I190 PolarHBondContact O-N 2.96Å; R187-I190 PolarHBondContact O-N 3.34Å; S188-I190 PolarHBondContact O-N 3.17Å; I190-I192 VanDerWaalsContact C-N 3.3Å; I190-I192 PolarHBondContact O-N 3.24Å; I190-N193 PolarHBondContact O-N 3.42Å; I190-C194 HydrophobicContact CG2-CB 4.43Å; I190-C194 WeakPolarHBondContact O-CA 3.19Å; I190-C194 WeakPolarHBondContact O-CB 3.29Å; I190-C194 PolarHBondContact O-N 3.38Å; I190-V1084 HydrophobicContact CD1-CG1 3.42Å; I190-V1084 VanDerWaalsContact CD1-CG1 3.42Å; I190-L1088 HydrophobicContact CG1-CD1 4.25Å; I190-L1091 HydrophobicContact CG2-CD1 4.12Å; I190-I1111 HydrophobicContact CG1-CD1 4.42Å |
| 191 | N | 81.2 | Confident | 75.8 | Confident | 52 Ų | 52 | 44.8 Ų | 44.8 | 28% | 0.278 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.4 | -31.1 | -178.3 | -73.5 | -8.5 | 0 | 0 | 0 | 113.6 | Y93 R187 S188 C194 | Y93-N191 PolarHBondContact OH-ND2 3.15Å; R187-N191 WeakPolarHBondContact O-CB 3.33Å; R187-N191 VanDerWaalsContact O-CG 3.23Å; R187-N191 PolarHBondContact O-N 3.35Å; S188-N191 PolarHBondContact O-N 3.27Å; N191-C194 CarbonylContact C-O 3.43Å |
| 192 | I | 79.5 | Confident | 74.7 | Confident | 57 Ų | 57 | 49.8 Ų | 49.8 | 29% | 0.292 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -75.6 | -41.3 | 178 | -70.8 | 166.4 | 0 | 0 | 0 | 110.6 | Q85 I86 S188 I190 | Q85-I192 HydrophobicContact CG-CD1 4.41Å; I86-I192 HydrophobicContact CB-CD1 4.18Å; I86-I192 HydrophobicContact CG1-CD1 3.62Å; S188-I192 WeakPolarHBondContact O-CB 3.37Å; S188-I192 WeakPolarHBondContact O-CD1 3.08Å; S188-I192 VanDerWaalsContact O-CG1 3.25Å; S188-I192 WeakPolarHBondContact O-CG1 3.23Å; S188-I192 PolarHBondContact O-N 3.47Å; I190-I192 VanDerWaalsContact C-N 3.3Å; I190-I192 PolarHBondContact O-N 3.24Å |
| 193 | N | 78.5 | Confident | 73.9 | Confident | 18 Ų | 18 | 51.1 Ų | 51.1 | 10% | 0.096 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -83.5 | -27.7 | -178.3 | -71.8 | -38.8 | 0 | 0 | 0 | 113.8 | L189 I190 S1101 L1102 | L189-N193 WeakPolarHBondContact O-CB 3.32Å; L189-N193 PolarHBondContact O-N 3.26Å; L189-N193 VanDerWaalsContact O-N 3.09Å; L189-N193 PolarHBondContact O-ND2 2.7Å; I190-N193 PolarHBondContact O-N 3.42Å; N193-S1101 PolarHBondContact O-OG 3.01Å; N193-S1101 PolarHBondContact OD1-OG 3.13Å; N193-L1102 HydrophobicContact CB-CD1 3.75Å; N193-L1102 HydrophobicContact CB-CG 4.19Å |
| 194 | C | 76.7 | Confident | 73.5 | Confident | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 28% | 0.275 | C | S | . | . | S | Bend | trans | -120.3 | 124.4 | -178.6 | -58.9 | 0 | 0 | 0 | 0 | 109.7 | I190 N191 V196 I1098 C1099 | I190-C194 HydrophobicContact CG2-CB 4.43Å; I190-C194 WeakPolarHBondContact O-CA 3.19Å; I190-C194 WeakPolarHBondContact O-CB 3.29Å; I190-C194 PolarHBondContact O-N 3.38Å; N191-C194 CarbonylContact C-O 3.43Å; C194-V196 HydrophobicContact CB-CG2 3.82Å; C194-V196 PolarHBondContact O-N 3.47Å; C194-I1098 CarbonylContact C-O 3.59Å; C194-I1098 VanDerWaalsContact CA-O 3.28Å; C194-I1098 WeakPolarHBondContact CA-O 3.5Å; C194-I1098 HydrophobicContact CB-CG2 4.19Å; C194-C1099 HydrophobicContact CB-CB 4.07Å; C194-C1099 WeakPolarHBondContact CB-SG 3.47Å; C194-C1099 WeakPolarHBondContact SG-CB 3.31Å; C194-C1099 CovalentContact SG-SG 2.03Å; C194-C1099 PolarHBondContact SG-SG 3.45Å |
| 195 | K | 70 | Confident | 73.4 | Confident | 179 Ų | 179 | 53.1 Ų | 53.1 | 78% | 0.778 | 27% | 0.274 | S | S | * | . | trans | -76.2 | 66.1 | 176.5 | -70.1 | -175.4 | 178.9 | 179.6 | 0 | 110.7 | N197 I1098 | K195-N197 PolarHBondContact O-N 2.74Å; K195-I1098 PolarHBondContact N-O 3.24Å | ||
| 196 | V | 65.1 | Low | 73.4 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 26% | 0.261 | 28% | 0.278 | S | S | . | . | trans | -79.4 | 107.4 | 177.9 | -174 | 0 | 0 | 0 | 0 | 108.5 | C194 D198 L1091 I1098 | C194-V196 HydrophobicContact CB-CG2 3.82Å; C194-V196 PolarHBondContact O-N 3.47Å; V196-D198 PolarHBondContact O-N 3.08Å; V196-L1091 HydrophobicContact CG2-CD1 4.06Å; V196-I1098 HydrophobicContact CG2-CG2 4.3Å | ||
| 197 | N | 59.2 | Low | 73.4 | Confident | 117 Ų | 117 | 53.7 Ų | 53.7 | 63% | 0.626 | 28% | 0.278 | S | S | * | . | trans | -68.3 | 129.3 | 167.5 | -76.9 | -15.6 | 0 | 0 | 0 | 108.7 | K195 S199 S200 | K195-N197 PolarHBondContact O-N 2.74Å; N197-S199 PolarHBondContact O-N 3.48Å; N197-S200 PolarHBondContact O-N 2.97Å | ||
| 198 | D | 55.5 | Low | 73.6 | Confident | 120 Ų | 120 | 51 Ų | 51 | 64% | 0.642 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -8 | -177.8 | -104.8 | -23 | 0 | 0 | 0 | 114.7 | V196 | V196-D198 PolarHBondContact O-N 3.08Š|
| 199 | S | 50.3 | Low | 73.8 | Confident | 91 Ų | 91 | 51 Ų | 51 | 64% | 0.636 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102 | -5.6 | -172.2 | 56.8 | 0 | 0 | 0 | 0 | 116.4 | N197 | N197-S199 PolarHBondContact O-N 3.48Š|
| 200 | S | 51.7 | Low | 74 | Confident | 84 Ų | 84 | 50.7 Ų | 50.7 | 59% | 0.587 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -24.4 | -173.1 | 53.5 | 0 | 0 | 0 | 0 | 117.3 | N197 | N197-S200 PolarHBondContact O-N 2.97Š|
| 201 | Q | 55.9 | Low | 74.4 | Confident | 68 Ų | 68 | 50.2 Ų | 50.2 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | trans | -151.2 | 93.8 | 175.5 | -71.1 | -174.3 | -17.2 | 0 | 0 | 111.1 | L203 | Q201-L203 PolarHBondContact O-N 3.15Š| ||
| 202 | K | 64 | Low | 74.7 | Confident | 106 Ų | 106 | 47.7 Ų | 47.7 | 46% | 0.461 | 25% | 0.251 | S | S | . | . | trans | -79.2 | 110.3 | 173.1 | -76.4 | 175.3 | -172.5 | 148.3 | 0 | 109.6 | D1059 I1061 | K202-D1059 IonicContact NZ-OD2 2.73Å; K202-D1059 PolarHBondContact NZ-OD2 3.33Å; K202-I1061 HydrophobicContact CB-CG1 4.27Å; K202-I1061 WeakPolarHBondContact O-CG2 3.23Å | ||
| 203 | L | 73.1 | Confident | 75 | Confident | 27 Ų | 27 | 45.2 Ų | 45.2 | 14% | 0.141 | 24% | 0.238 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.5 | 123.6 | 166.9 | -178.5 | 70.2 | 0 | 0 | 0 | 109.6 | Q201 V205 L1064 F1087 | Q201-L203 PolarHBondContact O-N 3.15Å; L203-V205 HydrophobicContact CD1-CG2 4.3Å; L203-V205 HydrophobicContact CD2-CG2 3.51Å; L203-V205 HydrophobicContact CG-CG2 3.71Å; L203-L1064 HydrophobicContact CD1-CD1 3.56Å; L203-L1064 HydrophobicContact CD1-CG 3.91Å; L203-F1087 HydrophobicContact CB-CD2 4.49Å; L203-F1087 HydrophobicContact CB-CE1 4.19Å; L203-F1087 HydrophobicContact CB-CE2 4.06Å; L203-F1087 HydrophobicContact CB-CZ 3.89Å; L203-F1087 HydrophobicContact CD1-CD2 3.79Å; L203-F1087 HydrophobicContact CD1-CE2 4.01Å; L203-F1087 HydrophobicContact CD1-CG 4.26Å; L203-F1087 HydrophobicContact CD2-CB 4.05Å; L203-F1087 HydrophobicContact CD2-CD1 3.67Å; L203-F1087 HydrophobicContact CD2-CD2 4.01Å; L203-F1087 HydrophobicContact CD2-CE1 4.04Å; L203-F1087 HydrophobicContact CD2-CE2 4.37Å; L203-F1087 HydrophobicContact CD2-CG 3.64Å; L203-F1087 HydrophobicContact CD2-CZ 4.38Å; L203-F1087 HydrophobicContact CG-CD2 4.31Å; L203-F1087 HydrophobicContact CG-CE2 4.37Å; L203-F1087 HydrophobicContact CG-CG 4.42Å |
| 204 | K | 81.1 | Confident | 75.3 | Confident | 65 Ų | 65 | 47 Ų | 47 | 28% | 0.283 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 103.9 | 170 | -179.2 | 174.2 | 176.9 | 177.5 | 0 | 109.3 | V206 I1061 I1062 S1063 L1064 | K204-V206 HydrophobicContact CG-CG2 4.16Å; K204-I1061 HydrophobicContact CB-CG2 4.04Å; K204-I1062 PolarHBondContact N-O 2.87Å; K204-S1063 WeakPolarHBondContact O-CA 3.48Å; K204-L1064 PolarHBondContact O-N 2.89Å |
| 205 | V | 84.3 | Confident | 75.5 | Confident | 3 Ų | 3 | 48.1 Ų | 48.1 | 2% | 0.018 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 126.7 | 173.7 | -173 | 0 | 0 | 0 | 0 | 109.6 | Y183 L203 L1080 V1083 | Y183-V205 HydrophobicContact CE2-CG2 4.49Å; L203-V205 HydrophobicContact CD1-CG2 4.3Å; L203-V205 HydrophobicContact CD2-CG2 3.51Å; L203-V205 HydrophobicContact CG-CG2 3.71Å; V205-L1080 HydrophobicContact CG1-CD1 4.08Å; V205-V1083 HydrophobicContact CG1-CG1 4.03Å; V205-V1083 HydrophobicContact CG2-CG1 3.96Å |
| 206 | V | 88.7 | Confident | 75.8 | Confident | 12 Ų | 12 | 43 Ų | 43 | 7% | 0.073 | 24% | 0.236 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 132.9 | 173.4 | -165.5 | 0 | 0 | 0 | 0 | 107.9 | S60 F61 R62 K204 L1064 R1065 A1066 | S60-V206 VanDerWaalsContact CB-CG1 3.46Å; F61-V206 WeakPolarHBondContact O-CG1 3.17Å; R62-V206 HydrophobicContact CG-CG1 4.44Å; R62-V206 HydrophobicContact CG-CG2 4.19Å; K204-V206 HydrophobicContact CG-CG2 4.16Å; V206-L1064 PolarHBondContact N-O 2.87Å; V206-R1065 CarbonylContact O-C 3.57Å; V206-R1065 WeakPolarHBondContact O-CA 3.34Å; V206-A1066 PolarHBondContact O-N 3.48Å |
| 207 | L | 89.1 | Confident | 76.3 | Confident | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 135.7 | 175 | -65.8 | 178.4 | 0 | 0 | 0 | 109.2 | S60 F61 V63 L179 A1066 F1068 L1080 | S60-L207 CarbonylContact C-O 3.55Å; S60-L207 WeakPolarHBondContact CA-O 3.48Å; F61-L207 HydrophobicContact CD1-CB 4.39Å; F61-L207 WeakPolarHBondContact CD1-O 3.19Å; F61-L207 HydrophobicContact CD2-CB 4.49Å; F61-L207 HydrophobicContact CE1-CB 3.84Å; F61-L207 HydrophobicContact CE2-CB 3.94Å; F61-L207 HydrophobicContact CE2-CD1 3.99Å; F61-L207 HydrophobicContact CZ-CB 3.58Å; F61-L207 HydrophobicContact CZ-CD1 3.94Å; F61-L207 HydrophobicContact CZ-CG 4.41Å; F61-L207 PolarHBondContact N-O 3.27Å; F61-L207 PolarHBondContact O-N 3.06Å; V63-L207 HydrophobicContact CG2-CD1 3.58Å; V63-L207 HydrophobicContact CG2-CG 3.85Å; L179-L207 HydrophobicContact CD1-CD1 3.89Å; L179-L207 HydrophobicContact CD2-CD1 4.2Å; L207-A1066 WeakPolarHBondContact CA-O 3.24Å; L207-A1066 HydrophobicContact CD2-CB 3.69Å; L207-F1068 HydrophobicContact CB-CD1 4.4Å; L207-F1068 HydrophobicContact CB-CE1 4.03Å; L207-L1080 HydrophobicContact CD1-CB 4.49Å; L207-L1080 HydrophobicContact CD2-CB 4.39Å |
| 208 | Q | 90 | Very high | 77.2 | Confident | 11 Ų | 11 | 39.9 Ų | 39.9 | 5% | 0.051 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 140.4 | 174.2 | -170.7 | 170.9 | -18.8 | 0 | 0 | 109.9 | W58 R1065 A1066 Y1067 F1068 | W58-Q208 PolarHBondContact O-NE2 2.98Å; W58-Q208 VanDerWaalsContact O-NE2 3.07Å; Q208-R1065 HydrophobicContact CB-CG 4.18Å; Q208-A1066 PolarHBondContact N-O 3.49Å; Q208-Y1067 HydrophobicContact CB-CD1 4.19Å; Q208-Y1067 HydrophobicContact CB-CE1 3.96Å; Q208-Y1067 HydrophobicContact CG-CD1 4.35Å; Q208-Y1067 HydrophobicContact CG-CE1 3.8Å; Q208-Y1067 WeakPolarHBondContact O-CA 3.49Å; Q208-F1068 VanDerWaalsContact O-CD1 3.3Å; Q208-F1068 WeakPolarHBondContact O-CD1 3.45Å; Q208-F1068 WeakPolarHBondContact O-CE1 3.04Å; Q208-F1068 PolarHBondContact O-N 3.35Å; Q208-F1068 VanDerWaalsContact O-N 3.1Å |
| 209 | R | 88.4 | Confident | 78.2 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 140 | 175.3 | -176.9 | 175.9 | 173.3 | -178.6 | 3.4 | 110.1 | W58 S164 D166 A169 F1068 | W58-R209 HydrophobicContact CB-CB 4.05Å; W58-R209 HydrophobicContact CD2-CB 4.21Å; W58-R209 HydrophobicContact CD2-CG 4.1Å; W58-R209 HydrophobicContact CE3-CB 4.08Å; W58-R209 HydrophobicContact CE3-CG 3.73Å; W58-R209 HydrophobicContact CG-CB 4.22Å; W58-R209 VanDerWaalsContact CZ2-NH1 3.3Å; W58-R209 HydrophobicContact CZ3-CG 4.13Å; S164-R209 PolarHBondContact O-NH1 3.33Å; S164-R209 PolarHBondContact O-NH2 3Å; D166-R209 PolarHBondContact O-NH1 3.47Å; A169-R209 VanDerWaalsContact CB-CZ 3.41Å; R209-F1068 WeakPolarHBondContact CA-O 3.28Å; R209-F1068 HydrophobicContact CB-CE1 4.42Å; R209-F1068 HydrophobicContact CB-CE2 4.08Å; R209-F1068 HydrophobicContact CB-CZ 3.88Å; R209-F1068 HydrophobicContact CG-CE2 4.24Å |
| 210 | M | 90.5 | Very high | 79.7 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.169 | C | C | . | . | P | Polyproline II helix | trans | -58.9 | 136.2 | 174.2 | -69.3 | -178.2 | 179 | 0 | 0 | 110.6 | W58 L1029 F1041 Y1067 F1068 Q1069 | W58-M210 WeakPolarHBondContact CZ3-O 3.42Å; M210-L1029 HydrophobicContact CB-CD2 4.04Å; M210-L1029 HydrophobicContact CG-CD2 3.97Å; M210-L1029 HydrophobicContact SD-CD2 4.18Å; M210-F1041 HydrophobicContact CB-CZ 4.05Å; M210-F1041 HydrophobicContact SD-CE2 4Å; M210-F1041 HydrophobicContact SD-CZ 4.29Å; M210-Y1067 HydrophobicContact CG-CD1 4.25Å; M210-F1068 PolarHBondContact N-O 2.96Å; M210-Q1069 HydrophobicContact SD-CB 4.27Å |
| 211 | P | 89.6 | Confident | 80.9 | Confident | 1 Ų | 1 | 30 Ų | 30 | 1% | 0.006 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -61.1 | 146.9 | 176.6 | 28 | -37.8 | 0 | 0 | 0 | 111.2 | L56 E1026 L1029 L1030 | L56-P211 CarbonylContact O-C 3.48Å; L56-P211 VanDerWaalsContact O-CA 3.29Å; L56-P211 WeakPolarHBondContact O-CA 3.44Å; P211-E1026 HydrophobicContact CG-CB 4.04Å; P211-E1026 HydrophobicContact CG-CG 4.26Å; P211-L1029 HydrophobicContact CG-CD2 4.25Å; P211-L1030 HydrophobicContact CB-CD1 4.08Å; P211-L1030 HydrophobicContact CB-CD2 4.15Å; P211-L1030 HydrophobicContact CB-CG 4.16Å; P211-L1030 HydrophobicContact CG-CD1 4.25Å; P211-L1030 HydrophobicContact CG-CD2 4.21Å; P211-L1030 HydrophobicContact CG-CG 3.94Å |
| 212 | F | 87.4 | Confident | 81.8 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 14% | 0.144 | C | C | . | . | B | Isolated β-bridge | trans | -109.1 | 131.9 | -179.1 | -164.5 | -92.4 | 0 | 0 | 0 | 110.4 | P55 L56 W58 G161 P162 Y215 | P55-F212 CarbonylContact C-O 3.51Å; P55-F212 VanDerWaalsContact CA-O 3.27Å; P55-F212 WeakPolarHBondContact CA-O 3.41Å; L56-F212 HydrophobicContact CB-CB 4.33Å; L56-F212 PolarHBondContact N-O 3.24Å; L56-F212 PolarHBondContact O-N 3.22Å; W58-F212 HydrophobicContact CH2-CB 3.54Å; W58-F212 HydrophobicContact CH2-CG 4.43Å; W58-F212 HydrophobicContact CZ3-CB 3.67Å; G161-F212 VanDerWaalsContact C-CZ 3.47Å; P162-F212 HydrophobicContact CB-CD1 4.33Å; P162-F212 HydrophobicContact CB-CD2 4.06Å; P162-F212 HydrophobicContact CB-CE1 4.41Å; P162-F212 HydrophobicContact CB-CE2 4.12Å; P162-F212 HydrophobicContact CB-CG 4.12Å; P162-F212 HydrophobicContact CB-CZ 4.25Å; P162-F212 HydrophobicContact CG-CD1 4.3Å; P162-F212 HydrophobicContact CG-CE1 4.43Å; P162-F212 HydrophobicContact CG-CG 4.49Å; F212-Y215 AromaticContact CD1-CD1 3.62Å; F212-Y215 HydrophobicContact CD1-CD1 3.62Å; F212-Y215 HydrophobicContact CD1-CE1 4.16Å; F212-Y215 HydrophobicContact CD1-CG 4.25Å; F212-Y215 AromaticContact CE1-CD1 3.57Å; F212-Y215 HydrophobicContact CE1-CD1 3.57Å; F212-Y215 HydrophobicContact CE1-CE1 4.28Å; F212-Y215 AromaticContact CE1-CG 3.72Å; F212-Y215 HydrophobicContact CE1-CG 3.72Å |
| 213 | P | 87 | Confident | 82.6 | Confident | 4 Ų | 4 | 26.6 Ų | 26.6 | 3% | 0.026 | 14% | 0.135 | C | C | . | . | trans | -69.7 | 166.6 | -176.5 | 28.1 | -33 | 0 | 0 | 0 | 112 | Y215 L1030 A1034 I1035 L1038 | P213-Y215 PolarHBondContact O-N 2.82Å; P213-L1030 HydrophobicContact CB-CD2 4.12Å; P213-A1034 HydrophobicContact CB-CB 4.4Å; P213-A1034 HydrophobicContact CG-CB 4.01Å; P213-I1035 HydrophobicContact CB-CG1 4.03Å; P213-L1038 HydrophobicContact CG-CD1 3.45Å; P213-L1038 VanDerWaalsContact CG-CD1 3.45Å | ||
| 214 | P | 83.4 | Confident | 82.8 | Confident | 57 Ų | 57 | 25.6 Ų | 25.6 | 37% | 0.37 | 13% | 0.13 | S | C | . | . | trans | -51.2 | 139.2 | 173.3 | -26.6 | 36.2 | 0 | 0 | 0 | 111.9 | V52 L53 | V52-P214 WeakPolarHBondContact O-CA 3.41Å; V52-P214 WeakPolarHBondContact O-CB 3.48Å; L53-P214 WeakPolarHBondContact O-CB 3.41Å; L53-P214 VanDerWaalsContact O-CG 3.24Å; L53-P214 WeakPolarHBondContact O-CG 3.45Å | ||
| 215 | Y | 80.7 | Confident | 82.4 | Confident | 23 Ų | 23 | 22.9 Ų | 22.9 | 9% | 0.09 | 12% | 0.118 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 164.6 | -172.3 | 69.6 | -85.4 | 0 | 0 | 0 | 113.1 | V52 L56 G160 P162 F212 P213 K217 | V52-Y215 HydrophobicContact CB-CD1 4.21Å; V52-Y215 HydrophobicContact CB-CE1 3.89Å; V52-Y215 HydrophobicContact CB-CE2 4.46Å; V52-Y215 HydrophobicContact CG1-CD1 4.48Å; V52-Y215 HydrophobicContact CG1-CE1 3.93Å; V52-Y215 HydrophobicContact CG2-CE1 4.21Å; V52-Y215 HydrophobicContact CG2-CE2 4.11Å; V52-Y215 PolarHBondContact N-O 3.48Å; V52-Y215 PolarHBondContact O-N 2.93Å; L56-Y215 HydrophobicContact CD1-CE1 3.49Å; L56-Y215 VanDerWaalsContact CD1-CE1 3.49Å; L56-Y215 HydrophobicContact CG-CE1 4.41Å; G160-Y215 WeakPolarHBondContact O-CB 3.38Å; P162-Y215 VanDerWaalsContact CD-CE1 3.49Å; P162-Y215 HydrophobicContact CG-CE1 4.25Å; F212-Y215 AromaticContact CD1-CD1 3.62Å; F212-Y215 HydrophobicContact CD1-CD1 3.62Å; F212-Y215 HydrophobicContact CD1-CE1 4.16Å; F212-Y215 HydrophobicContact CD1-CG 4.25Å; F212-Y215 AromaticContact CE1-CD1 3.57Å; F212-Y215 HydrophobicContact CE1-CD1 3.57Å; F212-Y215 HydrophobicContact CE1-CE1 4.28Å; F212-Y215 AromaticContact CE1-CG 3.72Å; F212-Y215 HydrophobicContact CE1-CG 3.72Å; P213-Y215 PolarHBondContact O-N 2.82Å; Y215-K217 HydrophobicContact CD2-CB 4.44Å; Y215-K217 HydrophobicContact CE2-CB 3.98Å |
| 216 | I | 76.3 | Confident | 81.9 | Confident | 72 Ų | 72 | 28.6 Ų | 28.6 | 37% | 0.369 | 14% | 0.143 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.2 | 120.2 | 174.7 | -56.9 | 174.2 | 0 | 0 | 0 | 107.9 | R49 V51 G160 | R49-I216 HydrophobicContact CG-CG2 4.09Å; V51-I216 HydrophobicContact CG2-CG1 4.49Å; G160-I216 CarbonylContact C-O 3.54Å; G160-I216 WeakPolarHBondContact CA-O 3.32Å |
| 217 | K | 76.6 | Confident | 81.6 | Confident | 72 Ų | 72 | 31 Ų | 31 | 31% | 0.313 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 110 | 172.8 | -165.8 | -177.6 | 172.5 | -168.7 | 0 | 108.8 | R49 E50 Y215 E219 | R49-K217 WeakPolarHBondContact CA-O 3.31Å; E50-K217 HydrophobicContact CB-CB 4.26Å; E50-K217 PolarHBondContact N-O 2.96Å; E50-K217 PolarHBondContact O-N 3.5Å; Y215-K217 HydrophobicContact CD2-CB 4.44Å; Y215-K217 HydrophobicContact CE2-CB 3.98Å; K217-E219 WeakPolarHBondContact CE-OE1 3.34Å; K217-E219 IonicContact NZ-OE1 3.18Å |
| 218 | D | 78 | Confident | 81.5 | Confident | 21 Ų | 21 | 31.1 Ų | 31.1 | 11% | 0.112 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.8 | 103.6 | 177.8 | -166.2 | -17.6 | 0 | 0 | 0 | 110 | R44 F220 I221 | R44-D218 IonicContact CZ-OD1 3.57Å; R44-D218 IonicContact CZ-OD2 2.78Å; R44-D218 IonicContact NH1-OD1 3.51Å; R44-D218 PolarHBondContact NH1-OD1 3.28Å; R44-D218 IonicContact NH1-OD2 2.73Å; R44-D218 PolarHBondContact NH1-OD2 2.83Å; R44-D218 IonicContact NH2-OD2 3.86Å; R44-D218 PolarHBondContact NH2-OD2 3.47Å; D218-F220 PolarHBondContact O-N 2.9Å; D218-F220 WeakPolarHBondContact OD1-CB 3.35Å; D218-F220 PolarHBondContact OD1-N 2.93Å; D218-I221 HydrophobicContact CB-CD1 3.87Å; D218-I221 HydrophobicContact CB-CG1 4.12Å; D218-I221 PolarHBondContact O-N 3.49Å |
| 219 | E | 76.5 | Confident | 81.4 | Confident | 68 Ų | 68 | 30.6 Ų | 30.6 | 32% | 0.318 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -16.5 | 178.6 | -64 | -65.3 | 159.6 | 0 | 0 | 111.9 | K217 I221 I222 | K217-E219 WeakPolarHBondContact CE-OE1 3.34Å; K217-E219 IonicContact NZ-OE1 3.18Å; E219-I221 PolarHBondContact O-N 3.29Å; E219-I222 PolarHBondContact O-N 2.91Å |
| 220 | F | 81.4 | Confident | 81.2 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.009 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.4 | -20.6 | 180 | -162.8 | -105.3 | 0 | 0 | 0 | 113.2 | L40 L43 R44 A47 D218 I222 V223 I224 I302 | L40-F220 HydrophobicContact CB-CZ 4.35Å; L40-F220 VanDerWaalsContact O-CZ 3.28Å; L40-F220 WeakPolarHBondContact O-CZ 3.37Å; L43-F220 HydrophobicContact CB-CE2 3.72Å; L43-F220 HydrophobicContact CB-CZ 4.48Å; R44-F220 HydrophobicContact CB-CD1 4.43Å; R44-F220 HydrophobicContact CB-CD2 4.33Å; R44-F220 HydrophobicContact CB-CE1 4.03Å; R44-F220 HydrophobicContact CB-CE2 3.94Å; R44-F220 HydrophobicContact CB-CZ 3.78Å; R44-F220 HydrophobicContact CG-CD1 4.49Å; R44-F220 HydrophobicContact CG-CE1 4.44Å; R44-F220 VanDerWaalsContact N-CE2 3.28Å; A47-F220 HydrophobicContact CB-CB 3.86Å; A47-F220 HydrophobicContact CB-CD2 3.79Å; A47-F220 HydrophobicContact CB-CG 4.22Å; D218-F220 PolarHBondContact O-N 2.9Å; D218-F220 WeakPolarHBondContact OD1-CB 3.35Å; D218-F220 PolarHBondContact OD1-N 2.93Å; F220-I222 PolarHBondContact O-N 2.99Å; F220-V223 HydrophobicContact CD2-CB 4.04Å; F220-V223 HydrophobicContact CD2-CG1 4.42Å; F220-V223 HydrophobicContact CD2-CG2 4.15Å; F220-V223 HydrophobicContact CE2-CB 4.01Å; F220-V223 HydrophobicContact CE2-CG1 3.9Å; F220-V223 HydrophobicContact CE2-CG2 4.4Å; F220-V223 HydrophobicContact CZ-CB 4.47Å; F220-V223 HydrophobicContact CZ-CG1 4.23Å; F220-V223 WeakPolarHBondContact O-CA 3.09Å; F220-V223 WeakPolarHBondContact O-CB 3.45Å; F220-V223 PolarHBondContact O-N 3.14Å; F220-I224 HydrophobicContact CD1-CD1 3.78Å; F220-I224 HydrophobicContact CD1-CG1 3.71Å; F220-I224 HydrophobicContact CE1-CD1 4.07Å; F220-I224 HydrophobicContact CE1-CG1 3.68Å; F220-I224 PolarHBondContact O-N 2.88Å; F220-I302 HydrophobicContact CE1-CB 4.27Å; F220-I302 HydrophobicContact CE1-CG1 3.98Å; F220-I302 HydrophobicContact CE1-CG2 3.85Å; F220-I302 HydrophobicContact CZ-CG1 4.43Å |
| 221 | I | 77.4 | Confident | 81 | Confident | 19 Ų | 19 | 35 Ų | 35 | 10% | 0.097 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -57.5 | -35.5 | 177.3 | -66.6 | 167.5 | 0 | 0 | 0 | 111.1 | D218 E219 V223 I224 Q225 | D218-I221 HydrophobicContact CB-CD1 3.87Å; D218-I221 HydrophobicContact CB-CG1 4.12Å; D218-I221 PolarHBondContact O-N 3.49Å; E219-I221 PolarHBondContact O-N 3.29Å; I221-V223 VanDerWaalsContact C-N 3.33Å; I221-V223 PolarHBondContact O-N 2.94Å; I221-I224 PolarHBondContact O-N 2.68Å; I221-Q225 WeakPolarHBondContact O-CG 2.95Å; I221-Q225 PolarHBondContact O-N 2.8Å |
| 222 | I | 74.5 | Confident | 81 | Confident | 55 Ų | 55 | 35.1 Ų | 35.1 | 28% | 0.282 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -66.5 | -37.5 | 177.1 | -59.7 | 171.4 | 0 | 0 | 0 | 110.8 | E219 F220 Q225 K226 | E219-I222 PolarHBondContact O-N 2.91Å; F220-I222 PolarHBondContact O-N 2.99Å; I222-Q225 PolarHBondContact O-N 2.97Å; I222-K226 HydrophobicContact CG2-CD 4.3Å; I222-K226 PolarHBondContact O-N 3.46Å; I222-K226 VanDerWaalsContact O-N 3.15Å |
| 223 | V | 80 | Confident | 81.2 | Confident | 46 Ų | 46 | 35.2 Ų | 35.2 | 28% | 0.279 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -67.3 | -42.1 | 177.2 | -177.6 | 0 | 0 | 0 | 0 | 110.4 | L40 L43 F220 I221 Q225 Q227 | L40-V223 HydrophobicContact CD2-CG1 4.09Å; L43-V223 HydrophobicContact CD1-CG1 4.26Å; F220-V223 HydrophobicContact CD2-CB 4.04Å; F220-V223 HydrophobicContact CD2-CG1 4.42Å; F220-V223 HydrophobicContact CD2-CG2 4.15Å; F220-V223 HydrophobicContact CE2-CB 4.01Å; F220-V223 HydrophobicContact CE2-CG1 3.9Å; F220-V223 HydrophobicContact CE2-CG2 4.4Å; F220-V223 HydrophobicContact CZ-CB 4.47Å; F220-V223 HydrophobicContact CZ-CG1 4.23Å; F220-V223 WeakPolarHBondContact O-CA 3.09Å; F220-V223 WeakPolarHBondContact O-CB 3.45Å; F220-V223 PolarHBondContact O-N 3.14Å; I221-V223 VanDerWaalsContact C-N 3.33Å; I221-V223 PolarHBondContact O-N 2.94Å; V223-Q225 VanDerWaalsContact C-N 3.35Å; V223-Q225 PolarHBondContact O-N 3.33Å; V223-Q227 HydrophobicContact CG1-CB 4.36Å; V223-Q227 VanDerWaalsContact O-CB 3.29Å; V223-Q227 WeakPolarHBondContact O-CB 3.36Å; V223-Q227 PolarHBondContact O-N 3.36Å |
| 224 | I | 78.5 | Confident | 81.1 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 3% | 0.031 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -58.2 | -49.3 | 175.1 | -64.8 | 172.6 | 0 | 0 | 0 | 110.1 | F220 I221 K226 L228 I302 L303 | F220-I224 HydrophobicContact CD1-CD1 3.78Å; F220-I224 HydrophobicContact CD1-CG1 3.71Å; F220-I224 HydrophobicContact CE1-CD1 4.07Å; F220-I224 HydrophobicContact CE1-CG1 3.68Å; F220-I224 PolarHBondContact O-N 2.88Å; I221-I224 PolarHBondContact O-N 2.68Å; I224-K226 PolarHBondContact O-N 3.16Å; I224-L228 HydrophobicContact CG2-CB 4.38Å; I224-L228 HydrophobicContact CG2-CD2 3.93Å; I224-L228 WeakPolarHBondContact O-CB 3.46Å; I224-L228 PolarHBondContact O-N 3.03Å; I224-I302 HydrophobicContact CD1-CG2 3.94Å; I224-I302 WeakPolarHBondContact CD1-O 3.23Å; I224-I302 HydrophobicContact CG1-CG2 4Å; I224-L303 HydrophobicContact CD1-CD2 4.39Å; I224-L303 HydrophobicContact CG2-CD2 4.28Å |
| 225 | Q | 72 | Confident | 81.3 | Confident | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.042 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.3 | -38.8 | -175.4 | -72.7 | 168.3 | -2.6 | 0 | 0 | 113.1 | I221 I222 V223 G388 | I221-Q225 WeakPolarHBondContact O-CG 2.95Å; I221-Q225 PolarHBondContact O-N 2.8Å; I222-Q225 PolarHBondContact O-N 2.97Å; V223-Q225 VanDerWaalsContact C-N 3.35Å; V223-Q225 PolarHBondContact O-N 3.33Å; Q225-G388 PolarHBondContact NE2-O 3.38Å |
| 226 | K | 74.6 | Confident | 81.8 | Confident | 122 Ų | 122 | 34.7 Ų | 34.7 | 53% | 0.53 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -90.4 | -32.5 | -176.4 | -66.9 | -175.6 | 176.8 | -178.3 | 0 | 114.9 | I222 I224 | I222-K226 HydrophobicContact CG2-CD 4.3Å; I222-K226 PolarHBondContact O-N 3.46Å; I222-K226 VanDerWaalsContact O-N 3.15Å; I224-K226 PolarHBondContact O-N 3.16Å |
| 227 | Q | 82.7 | Confident | 82.4 | Confident | 64 Ų | 64 | 31.8 Ų | 31.8 | 30% | 0.299 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -112.5 | -21.9 | -166.4 | -164.7 | 62.9 | 17.8 | 0 | 0 | 114.3 | L40 V223 A229 L230 M231 | L40-Q227 HydrophobicContact CD2-CB 4.38Å; L40-Q227 HydrophobicContact CD2-CG 4.2Å; V223-Q227 HydrophobicContact CG1-CB 4.36Å; V223-Q227 VanDerWaalsContact O-CB 3.29Å; V223-Q227 WeakPolarHBondContact O-CB 3.36Å; V223-Q227 PolarHBondContact O-N 3.36Å; Q227-A229 PolarHBondContact O-N 3.33Å; Q227-L230 PolarHBondContact O-N 3.44Å; Q227-M231 HydrophobicContact CG-CE 4.31Å; Q227-M231 HydrophobicContact CG-CG 4.09Å; Q227-M231 PolarHBondContact O-N 3.45Å |
| 228 | L | 86.4 | Confident | 82.9 | Confident | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.5 | -45.9 | -174.6 | -177.8 | 66.2 | 0 | 0 | 0 | 111.9 | L40 I224 L230 M231 L232 L292 C384 | L40-L228 HydrophobicContact CD1-CD1 3.74Å; I224-L228 HydrophobicContact CG2-CB 4.38Å; I224-L228 HydrophobicContact CG2-CD2 3.93Å; I224-L228 WeakPolarHBondContact O-CB 3.46Å; I224-L228 PolarHBondContact O-N 3.03Å; L228-L230 PolarHBondContact O-N 2.87Å; L228-M231 PolarHBondContact O-N 2.83Å; L228-L232 HydrophobicContact CD1-CD1 3.74Å; L228-L232 HydrophobicContact CD1-CG 4.23Å; L228-L232 HydrophobicContact CD2-CD1 4.39Å; L228-L232 HydrophobicContact CG-CD1 3.75Å; L228-L232 WeakPolarHBondContact O-CG 3.42Å; L228-L232 PolarHBondContact O-N 3.07Å; L228-L292 HydrophobicContact CD1-CD2 3.75Å; L228-C384 HydrophobicContact CD2-CB 4.41Å |
| 229 | A | 87.1 | Confident | 83.4 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -58.4 | -49.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q227 M231 L232 I233 Y354 C384 | Q227-A229 PolarHBondContact O-N 3.33Å; A229-M231 PolarHBondContact O-N 2.7Å; A229-L232 PolarHBondContact O-N 3.18Å; A229-I233 HydrophobicContact CB-CD1 4.47Å; A229-I233 WeakPolarHBondContact O-CB 3.38Å; A229-I233 WeakPolarHBondContact O-CD1 3.36Å; A229-I233 WeakPolarHBondContact O-CG1 3.45Å; A229-I233 PolarHBondContact O-N 2.98Å; A229-Y354 HydrophobicContact CB-CD1 4.39Å; A229-Y354 HydrophobicContact CB-CE1 3.46Å; A229-Y354 VanDerWaalsContact CB-CE1 3.46Å; A229-Y354 HydrophobicContact CB-CE2 4.26Å; A229-Y354 WeakPolarHBondContact CB-OH 3.37Å; A229-C384 HydrophobicContact CB-CB 3.76Å |
| 230 | L | 84.3 | Confident | 84.1 | Confident | 66 Ų | 66 | 27.5 Ų | 27.5 | 35% | 0.346 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -61.3 | -44.3 | -177.6 | -176.7 | 65.8 | 0 | 0 | 0 | 111.6 | Q227 L228 L234 | Q227-L230 PolarHBondContact O-N 3.44Å; L228-L230 PolarHBondContact O-N 2.87Å; L230-L234 HydrophobicContact CD1-CD1 4.03Å; L230-L234 HydrophobicContact CD1-CG 4.43Å; L230-L234 HydrophobicContact CG-CD1 3.94Å; L230-L234 WeakPolarHBondContact O-CB 3.5Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 2.92Å |
| 231 | M | 87.3 | Confident | 84.4 | Confident | 27 Ų | 27 | 28.4 Ų | 28.4 | 13% | 0.133 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -40.6 | -179.9 | -70.5 | -64.5 | 177 | 0 | 0 | 112.2 | L36 L40 Q227 L228 A229 G235 | L36-M231 HydrophobicContact CB-SD 4.28Å; L36-M231 HydrophobicContact CD2-SD 4.3Å; L40-M231 HydrophobicContact CD1-CB 4.43Å; Q227-M231 HydrophobicContact CG-CE 4.31Å; Q227-M231 HydrophobicContact CG-CG 4.09Å; Q227-M231 PolarHBondContact O-N 3.45Å; L228-M231 PolarHBondContact O-N 2.83Å; A229-M231 PolarHBondContact O-N 2.7Å; M231-G235 PolarHBondContact O-N 3.36Å |
| 232 | L | 89.8 | Confident | 84.8 | Confident | 4 Ų | 4 | 28.6 Ų | 28.6 | 2% | 0.021 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -70.8 | -44.4 | 177.5 | -69.7 | 171.6 | 0 | 0 | 0 | 111.8 | V37 L228 A229 L234 G235 F236 L288 L315 M380 | V37-L232 HydrophobicContact CG2-CD2 3.85Å; L228-L232 HydrophobicContact CD1-CD1 3.74Å; L228-L232 HydrophobicContact CD1-CG 4.23Å; L228-L232 HydrophobicContact CD2-CD1 4.39Å; L228-L232 HydrophobicContact CG-CD1 3.75Å; L228-L232 WeakPolarHBondContact O-CG 3.42Å; L228-L232 PolarHBondContact O-N 3.07Å; A229-L232 PolarHBondContact O-N 3.18Å; L232-L234 PolarHBondContact O-N 3.45Å; L232-G235 PolarHBondContact O-N 3.46Å; L232-G235 VanDerWaalsContact O-N 3.17Å; L232-F236 VanDerWaalsContact O-CD2 3.32Å; L232-F236 WeakPolarHBondContact O-CD2 3.25Å; L232-F236 PolarHBondContact O-N 3.26Å; L232-L288 HydrophobicContact CD2-CD1 4.15Å; L232-L288 HydrophobicContact CD2-CD2 4.36Å; L232-L315 HydrophobicContact CD1-CD2 4.17Å; L232-L315 HydrophobicContact CD2-CD2 4.4Å; L232-M380 HydrophobicContact CB-CE 3.57Å; L232-M380 HydrophobicContact CD1-CE 3.27Å; L232-M380 HydrophobicContact CG-CE 4Å |
| 233 | I | 90.4 | Very high | 85.4 | Confident | 2 Ų | 2 | 26 Ų | 26 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -57.9 | -49.6 | 176.8 | -68 | 163.7 | 0 | 0 | 0 | 110.2 | A229 G235 F236 I237 S377 M380 | A229-I233 HydrophobicContact CB-CD1 4.47Å; A229-I233 WeakPolarHBondContact O-CB 3.38Å; A229-I233 WeakPolarHBondContact O-CD1 3.36Å; A229-I233 WeakPolarHBondContact O-CG1 3.45Å; A229-I233 PolarHBondContact O-N 2.98Å; I233-G235 VanDerWaalsContact C-N 3.31Å; I233-G235 PolarHBondContact O-N 2.96Å; I233-F236 PolarHBondContact O-N 3.49Å; I233-I237 HydrophobicContact CG2-CD1 4.1Å; I233-I237 WeakPolarHBondContact O-CG1 3.3Å; I233-I237 PolarHBondContact O-N 3.15Å; I233-S377 VanDerWaalsContact CD1-O 3.24Å; I233-S377 WeakPolarHBondContact CD1-O 3.5Å; I233-M380 HydrophobicContact CG1-CB 4.15Å; I233-M380 HydrophobicContact CG1-CG 3.98Å |
| 234 | L | 84.8 | Confident | 85.8 | Confident | 71 Ų | 71 | 23.8 Ų | 23.8 | 37% | 0.372 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -61.9 | -38.3 | 177 | -75 | 166.9 | 0 | 0 | 0 | 112.5 | L36 L230 L232 F236 I237 | L36-L234 HydrophobicContact CD1-CB 4.06Å; L230-L234 HydrophobicContact CD1-CD1 4.03Å; L230-L234 HydrophobicContact CD1-CG 4.43Å; L230-L234 HydrophobicContact CG-CD1 3.94Å; L230-L234 WeakPolarHBondContact O-CB 3.5Å; L230-L234 WeakPolarHBondContact O-CG 3.32Å; L230-L234 PolarHBondContact O-N 2.92Å; L232-L234 PolarHBondContact O-N 3.45Å; L234-F236 PolarHBondContact O-N 3.19Å; L234-I237 PolarHBondContact O-N 3.38Å |
| 235 | G | 87.9 | Confident | 86.1 | Confident | 1 Ų | 1 | 28.2 Ų | 28.2 | 1% | 0.01 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -57.6 | -47.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P33 M231 L232 I233 P239 | P33-G235 WeakPolarHBondContact CG-O 3.44Å; M231-G235 PolarHBondContact O-N 3.36Å; L232-G235 PolarHBondContact O-N 3.46Å; L232-G235 VanDerWaalsContact O-N 3.17Å; I233-G235 VanDerWaalsContact C-N 3.31Å; I233-G235 PolarHBondContact O-N 2.96Å; G235-P239 WeakPolarHBondContact O-CD 3.37Å |
| 236 | F | 91.7 | Very high | 86.8 | Confident | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -79.9 | -16 | -176.8 | -78.3 | -83.8 | 0 | 0 | 0 | 114.9 | L232 I233 L234 T240 F281 I284 L288 L315 Y318 I322 | L232-F236 VanDerWaalsContact O-CD2 3.32Å; L232-F236 WeakPolarHBondContact O-CD2 3.25Å; L232-F236 PolarHBondContact O-N 3.26Å; I233-F236 PolarHBondContact O-N 3.49Å; L234-F236 PolarHBondContact O-N 3.19Å; F236-T240 PolarHBondContact O-N 2.64Å; F236-T240 PolarHBondContact O-OG1 2.8Å; F236-F281 AromaticContact CD1-CD1 3.82Å; F236-F281 HydrophobicContact CD1-CD1 3.82Å; F236-F281 AromaticContact CD1-CE1 3.89Å; F236-F281 HydrophobicContact CD1-CE1 3.89Å; F236-F281 AromaticContact CE1-CD1 3.97Å; F236-F281 HydrophobicContact CE1-CD1 3.97Å; F236-F281 HydrophobicContact CE1-CE1 4.5Å; F236-I284 HydrophobicContact CE1-CG2 4.04Å; F236-I284 HydrophobicContact CZ-CG2 4.2Å; F236-L288 HydrophobicContact CE2-CD1 3.63Å; F236-L288 HydrophobicContact CZ-CD1 3.76Å; F236-L315 HydrophobicContact CE2-CD2 4.26Å; F236-L315 HydrophobicContact CZ-CB 4.43Å; F236-Y318 HydrophobicContact CB-CE1 3.74Å; F236-Y318 AromaticContact CD2-CD1 3.87Å; F236-Y318 HydrophobicContact CD2-CD1 3.87Å; F236-Y318 AromaticContact CD2-CE1 3.59Å; F236-Y318 HydrophobicContact CD2-CE1 3.59Å; F236-Y318 HydrophobicContact CE2-CD1 4.18Å; F236-Y318 HydrophobicContact CE2-CE1 4.34Å; F236-Y318 HydrophobicContact CG-CD1 4.1Å; F236-Y318 AromaticContact CG-CE1 3.73Å; F236-Y318 HydrophobicContact CG-CE1 3.73Å; F236-I322 HydrophobicContact CB-CD1 4.49Å; F236-I322 HydrophobicContact CB-CG2 4.33Å |
| 237 | I | 89.2 | Confident | 87.4 | Confident | 11 Ų | 11 | 24 Ų | 24 | 6% | 0.056 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 174.6 | -74 | 169.5 | 0 | 0 | 0 | 110.9 | I233 L234 T240 L241 I322 L347 | I233-I237 HydrophobicContact CG2-CD1 4.1Å; I233-I237 WeakPolarHBondContact O-CG1 3.3Å; I233-I237 PolarHBondContact O-N 3.15Å; L234-I237 PolarHBondContact O-N 3.38Å; I237-T240 PolarHBondContact O-N 3.42Å; I237-L241 HydrophobicContact CG2-CD1 3.69Å; I237-L241 HydrophobicContact CG2-CG 4.21Å; I237-L241 WeakPolarHBondContact O-CG 3.16Å; I237-L241 PolarHBondContact O-N 3.35Å; I237-I322 HydrophobicContact CG1-CD1 4.29Å; I237-L347 HydrophobicContact CD1-CB 4.36Å; I237-L347 HydrophobicContact CG1-CB 4.23Å; I237-L347 HydrophobicContact CG2-CB 4.4Å; I237-L347 HydrophobicContact CG2-CD1 4.19Å |
| 238 | F | 86.8 | Confident | 87.6 | Confident | 72 Ų | 72 | 21 Ų | 21 | 32% | 0.316 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -65.1 | -48.7 | -173.6 | -173.7 | -94.6 | 0 | 0 | 0 | 113.8 | F28 V29 V32 T240 L241 Y242 | F28-F238 AromaticContact CD1-CE1 3.65Å; F28-F238 HydrophobicContact CD1-CE1 3.65Å; F28-F238 AromaticContact CD1-CZ 3.51Å; F28-F238 HydrophobicContact CD1-CZ 3.51Å; F28-F238 AromaticContact CE1-CE1 3.98Å; F28-F238 HydrophobicContact CE1-CE1 3.98Å; F28-F238 HydrophobicContact CE1-CE2 4.17Å; F28-F238 AromaticContact CE1-CZ 3.52Å; F28-F238 HydrophobicContact CE1-CZ 3.52Å; V29-F238 HydrophobicContact CB-CD1 4.47Å; V29-F238 HydrophobicContact CB-CE1 4.25Å; V29-F238 HydrophobicContact CG2-CD1 4.14Å; V29-F238 HydrophobicContact CG2-CE1 3.63Å; V32-F238 HydrophobicContact CB-CD1 4.2Å; V32-F238 HydrophobicContact CG1-CB 4.26Å; V32-F238 HydrophobicContact CG1-CD1 4.32Å; V32-F238 HydrophobicContact CG1-CG 4.21Å; V32-F238 HydrophobicContact CG2-CD1 4.44Å; V32-F238 HydrophobicContact CG2-CE1 4.38Å; F238-T240 VanDerWaalsContact C-N 3.34Å; F238-T240 PolarHBondContact O-N 3.32Å; F238-L241 PolarHBondContact O-N 3.17Å; F238-Y242 PolarHBondContact O-N 2.96Å; F238-Y242 VanDerWaalsContact O-N 3.12Å |
| 239 | P | 89.2 | Confident | 87.5 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -56.1 | -45.1 | 171.7 | -23.9 | 32.3 | 0 | 0 | 0 | 113 | V29 P33 G235 L241 Y242 C243 F281 I284 | V29-P239 HydrophobicContact CG1-CB 3.78Å; V29-P239 HydrophobicContact CG1-CG 3.98Å; P33-P239 HydrophobicContact CG-CG 3.98Å; G235-P239 WeakPolarHBondContact O-CD 3.37Å; P239-L241 VanDerWaalsContact C-N 3.29Å; P239-L241 PolarHBondContact O-N 3.45Å; P239-Y242 WeakPolarHBondContact O-CB 3.38Å; P239-Y242 PolarHBondContact O-N 3.31Å; P239-Y242 VanDerWaalsContact O-N 3.13Å; P239-C243 PolarHBondContact O-N 2.62Å; P239-C243 PolarHBondContact O-SG 3.48Å; P239-F281 HydrophobicContact CB-CE1 3.87Å; P239-F281 HydrophobicContact CB-CZ 3.79Å; P239-I284 HydrophobicContact CB-CD1 4.01Å; P239-I284 HydrophobicContact CG-CD1 3.58Å |
| 240 | T | 90.2 | Very high | 87.4 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -58.1 | -41.1 | 179.3 | -58.5 | 0 | 0 | 0 | 0 | 112.2 | F236 I237 F238 C243 T244 I322 L347 | F236-T240 PolarHBondContact O-N 2.64Å; F236-T240 PolarHBondContact O-OG1 2.8Å; I237-T240 PolarHBondContact O-N 3.42Å; F238-T240 VanDerWaalsContact C-N 3.34Å; F238-T240 PolarHBondContact O-N 3.32Å; T240-C243 PolarHBondContact O-N 3.14Å; T240-T244 WeakPolarHBondContact O-CB 3.39Å; T240-T244 PolarHBondContact O-N 2.99Å; T240-T244 PolarHBondContact O-OG1 3.19Å; T240-I322 HydrophobicContact CG2-CG1 4.48Å; T240-I322 WeakPolarHBondContact CG2-O 3.43Å; T240-L347 HydrophobicContact CG2-CD1 4.13Å |
| 241 | L | 87.6 | Confident | 87.4 | Confident | 20 Ų | 20 | 22.2 Ų | 22.2 | 11% | 0.105 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 177.2 | -70.1 | 172.5 | 0 | 0 | 0 | 113.1 | I237 F238 P239 T244 R245 V340 V343 C344 L347 | I237-L241 HydrophobicContact CG2-CD1 3.69Å; I237-L241 HydrophobicContact CG2-CG 4.21Å; I237-L241 WeakPolarHBondContact O-CG 3.16Å; I237-L241 PolarHBondContact O-N 3.35Å; F238-L241 PolarHBondContact O-N 3.17Å; P239-L241 VanDerWaalsContact C-N 3.29Å; P239-L241 PolarHBondContact O-N 3.45Å; L241-T244 PolarHBondContact O-N 3.27Å; L241-R245 WeakPolarHBondContact O-CB 3.33Å; L241-R245 PolarHBondContact O-N 2.91Å; L241-V340 HydrophobicContact CB-CG1 4.45Å; L241-V340 HydrophobicContact CD2-CG1 4.3Å; L241-V343 HydrophobicContact CD2-CB 4.15Å; L241-V343 HydrophobicContact CD2-CG1 3.8Å; L241-C344 HydrophobicContact CD1-CB 3.61Å; L241-C344 HydrophobicContact CD2-CB 3.65Å; L241-C344 HydrophobicContact CG-CB 4.29Å; L241-L347 HydrophobicContact CD2-CD1 4.09Å; L241-L347 HydrophobicContact CG-CD1 4.3Å |
| 242 | Y | 86.7 | Confident | 87 | Confident | 23 Ų | 23 | 26 Ų | 26 | 9% | 0.09 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61.7 | -46.7 | 176.1 | 176.9 | -100.7 | 0 | 0 | 0 | 111.2 | F19 S22 Q25 V29 F238 P239 R245 L246 | F19-Y242 AromaticContact CD2-CE1 3.91Å; F19-Y242 HydrophobicContact CD2-CE1 3.91Å; F19-Y242 AromaticContact CE2-CE1 3.88Å; F19-Y242 HydrophobicContact CE2-CE1 3.88Å; S22-Y242 PolarHBondContact OG-OH 3.3Å; S22-Y242 VanDerWaalsContact OG-OH 3.06Å; Q25-Y242 HydrophobicContact CB-CE2 4.09Å; V29-Y242 HydrophobicContact CG2-CD1 3.91Å; V29-Y242 HydrophobicContact CG2-CD2 3.88Å; V29-Y242 HydrophobicContact CG2-CE1 4.5Å; V29-Y242 HydrophobicContact CG2-CE2 4.48Å; V29-Y242 HydrophobicContact CG2-CG 3.56Å; F238-Y242 PolarHBondContact O-N 2.96Å; F238-Y242 VanDerWaalsContact O-N 3.12Å; P239-Y242 WeakPolarHBondContact O-CB 3.38Å; P239-Y242 PolarHBondContact O-N 3.31Å; P239-Y242 VanDerWaalsContact O-N 3.13Å; Y242-R245 WeakPolarHBondContact O-CB 3.48Å; Y242-R245 PolarHBondContact O-N 2.82Å; Y242-L246 HydrophobicContact CD1-CD1 4.26Å; Y242-L246 HydrophobicContact CE1-CD1 3.64Å; Y242-L246 HydrophobicContact CE1-CG 4.41Å; Y242-L246 PolarHBondContact O-N 3.09Å |
| 243 | C | 86.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.007 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -63.9 | -44.6 | 178.3 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | P239 T240 R245 L246 I247 N277 F323 | P239-C243 PolarHBondContact O-N 2.62Å; P239-C243 PolarHBondContact O-SG 3.48Å; T240-C243 PolarHBondContact O-N 3.14Å; C243-R245 PolarHBondContact O-N 3.22Å; C243-L246 PolarHBondContact O-N 3.37Å; C243-L246 VanDerWaalsContact O-N 3.13Å; C243-I247 PolarHBondContact O-N 3.25Å; C243-N277 VanDerWaalsContact SG-CG 3.55Å; C243-N277 PolarHBondContact SG-OD1 2.79Å; C243-F323 HydrophobicContact CB-CD2 4.17Å; C243-F323 HydrophobicContact CB-CE2 3.6Å |
| 244 | T | 87.7 | Confident | 86 | Confident | 0 Ų | 0 | 31.5 Ų | 31.5 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -58.6 | -37.8 | 177.3 | -57.2 | 0 | 0 | 0 | 0 | 111.7 | T240 L241 L248 V343 | T240-T244 WeakPolarHBondContact O-CB 3.39Å; T240-T244 PolarHBondContact O-N 2.99Å; T240-T244 PolarHBondContact O-OG1 3.19Å; L241-T244 PolarHBondContact O-N 3.27Å; T244-L248 HydrophobicContact CG2-CD1 3.98Å; T244-L248 HydrophobicContact CG2-CG 4.49Å; T244-L248 WeakPolarHBondContact O-CG 3.32Å; T244-L248 PolarHBondContact O-N 3.08Å; T244-L248 VanDerWaalsContact O-N 3.1Å; T244-V343 HydrophobicContact CG2-CB 4.5Å; T244-V343 HydrophobicContact CG2-CG1 4.34Å; T244-V343 HydrophobicContact CG2-CG2 4.13Å |
| 245 | R | 86.3 | Confident | 86 | Confident | 99 Ų | 99 | 28.2 Ų | 28.2 | 37% | 0.374 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -61.2 | -44.7 | 176 | -177.5 | 178.2 | 161.6 | 168.3 | -5.5 | 112.3 | L241 Y242 C243 L248 I249 V340 | L241-R245 WeakPolarHBondContact O-CB 3.33Å; L241-R245 PolarHBondContact O-N 2.91Å; Y242-R245 WeakPolarHBondContact O-CB 3.48Å; Y242-R245 PolarHBondContact O-N 2.82Å; C243-R245 PolarHBondContact O-N 3.22Å; R245-L248 PolarHBondContact O-N 3.1Å; R245-I249 HydrophobicContact CG-CD1 3.91Å; R245-I249 HydrophobicContact CG-CG1 4.47Å; R245-I249 VanDerWaalsContact O-CG1 3.29Å; R245-I249 WeakPolarHBondContact O-CG1 3.4Å; R245-I249 PolarHBondContact O-N 3.22Å; R245-V340 VanDerWaalsContact CA-CG2 3.46Å; R245-V340 HydrophobicContact CB-CG2 3.47Å; R245-V340 VanDerWaalsContact CB-CG2 3.47Å; R245-V340 HydrophobicContact CG-CG2 3.93Å |
| 246 | L | 84.9 | Confident | 85.8 | Confident | 40 Ų | 40 | 28.7 Ų | 28.7 | 21% | 0.209 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -44.5 | -177.7 | -66.5 | 176.2 | 0 | 0 | 0 | 111.2 | Y242 C243 L248 I249 E250 W273 | Y242-L246 HydrophobicContact CD1-CD1 4.26Å; Y242-L246 HydrophobicContact CE1-CD1 3.64Å; Y242-L246 HydrophobicContact CE1-CG 4.41Å; Y242-L246 PolarHBondContact O-N 3.09Å; C243-L246 PolarHBondContact O-N 3.37Å; C243-L246 VanDerWaalsContact O-N 3.13Å; L246-L248 PolarHBondContact O-N 3.46Å; L246-I249 PolarHBondContact O-N 3.35Å; L246-E250 PolarHBondContact O-N 2.95Å; L246-E250 VanDerWaalsContact O-N 3.16Å; L246-W273 HydrophobicContact CB-CH2 3.67Å; L246-W273 HydrophobicContact CB-CZ2 4.3Å; L246-W273 HydrophobicContact CB-CZ3 4.19Å; L246-W273 HydrophobicContact CD1-CH2 3.97Å; L246-W273 HydrophobicContact CD1-CZ3 4Å; L246-W273 HydrophobicContact CG-CH2 4.43Å |
| 247 | I | 87.4 | Confident | 85.1 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.015 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -61.7 | -45.4 | 177.6 | -66.3 | 167.9 | 0 | 0 | 0 | 111 | C243 I249 E250 K251 W270 W273 F327 | C243-I247 PolarHBondContact O-N 3.25Å; I247-I249 VanDerWaalsContact C-N 3.31Å; I247-I249 PolarHBondContact O-N 3.37Å; I247-E250 PolarHBondContact O-N 3.02Å; I247-K251 PolarHBondContact O-N 3.3Å; I247-W270 HydrophobicContact CD1-CZ3 4.29Å; I247-W270 HydrophobicContact CG2-CH2 4.19Å; I247-W270 HydrophobicContact CG2-CZ3 4.08Å; I247-W273 HydrophobicContact CD1-CG 4.38Å; I247-W273 HydrophobicContact CG1-CD2 4.1Å; I247-W273 HydrophobicContact CG1-CG 4.21Å; I247-F327 HydrophobicContact CD1-CD1 3.57Å; I247-F327 HydrophobicContact CD1-CE1 3.15Å; I247-F327 HydrophobicContact CD1-CG 4.49Å; I247-F327 HydrophobicContact CD1-CZ 3.82Å |
| 248 | L | 87 | Confident | 84.9 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -67.3 | -30.5 | 179.1 | -69.4 | 169.1 | 0 | 0 | 0 | 113.1 | T244 R245 L246 Q252 S330 F333 A336 V340 | T244-L248 HydrophobicContact CG2-CD1 3.98Å; T244-L248 HydrophobicContact CG2-CG 4.49Å; T244-L248 WeakPolarHBondContact O-CG 3.32Å; T244-L248 PolarHBondContact O-N 3.08Å; T244-L248 VanDerWaalsContact O-N 3.1Å; R245-L248 PolarHBondContact O-N 3.1Å; L246-L248 PolarHBondContact O-N 3.46Å; L248-Q252 VanDerWaalsContact O-CB 3.23Å; L248-Q252 WeakPolarHBondContact O-CB 3.14Å; L248-Q252 PolarHBondContact O-N 3.3Å; L248-S330 WeakPolarHBondContact CD2-O 3.31Å; L248-F333 HydrophobicContact CD2-CB 3.84Å; L248-F333 WeakPolarHBondContact CD2-O 3.5Å; L248-A336 HydrophobicContact CB-CB 3.89Å; L248-V340 HydrophobicContact CD1-CG2 4.21Å |
| 249 | I | 84.2 | Confident | 84.7 | Confident | 48 Ų | 48 | 27.6 Ų | 27.6 | 25% | 0.246 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -65.7 | -43.5 | 174 | -72 | 169.2 | 0 | 0 | 0 | 110.4 | R245 L246 I247 Q252 R253 A336 | R245-I249 HydrophobicContact CG-CD1 3.91Å; R245-I249 HydrophobicContact CG-CG1 4.47Å; R245-I249 VanDerWaalsContact O-CG1 3.29Å; R245-I249 WeakPolarHBondContact O-CG1 3.4Å; R245-I249 PolarHBondContact O-N 3.22Å; L246-I249 PolarHBondContact O-N 3.35Å; I247-I249 VanDerWaalsContact C-N 3.31Å; I247-I249 PolarHBondContact O-N 3.37Å; I249-Q252 PolarHBondContact O-N 2.93Å; I249-R253 WeakPolarHBondContact O-CG 3.08Å; I249-R253 PolarHBondContact O-N 3.27Å; I249-R253 VanDerWaalsContact O-N 3.15Å; I249-A336 HydrophobicContact CG1-CB 3.55Å |
| 250 | E | 86.3 | Confident | 84.2 | Confident | 6 Ų | 6 | 29.9 Ų | 29.9 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 176.1 | -71.9 | -172.4 | 164.6 | 0 | 0 | 111.7 | K14 L246 I247 R253 G254 I255 Y269 W273 Y648 | K14-E250 IonicContact NZ-OE1 3.5Å; K14-E250 PolarHBondContact NZ-OE1 3.27Å; L246-E250 PolarHBondContact O-N 2.95Å; L246-E250 VanDerWaalsContact O-N 3.16Å; I247-E250 PolarHBondContact O-N 3.02Å; E250-R253 PolarHBondContact O-N 2.94Å; E250-G254 PolarHBondContact O-N 3.26Å; E250-I255 HydrophobicContact CB-CB 4.27Å; E250-I255 HydrophobicContact CG-CG2 4.41Å; E250-I255 PolarHBondContact O-N 3.23Å; E250-Y269 WeakPolarHBondContact OE2-CE2 3.47Å; E250-Y269 PolarHBondContact OE2-OH 2.99Å; E250-W273 WeakPolarHBondContact OE1-CZ2 3.41Å; E250-W273 PolarHBondContact OE2-NE1 3.37Å; E250-W273 VanDerWaalsContact OE2-NE1 3.16Å; E250-Y648 HydrophobicContact CG-CE1 4.35Å |
| 251 | K | 82.8 | Confident | 83.5 | Confident | 38 Ų | 38 | 31 Ų | 31 | 17% | 0.165 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -64 | -42.6 | 177.6 | -164.6 | 178.1 | 178 | -161.6 | 0 | 112 | I247 R253 G254 T331 F333 N334 | I247-K251 PolarHBondContact O-N 3.3Å; K251-R253 VanDerWaalsContact C-N 3.27Å; K251-R253 PolarHBondContact O-N 3.33Å; K251-G254 PolarHBondContact O-N 3.1Å; K251-T331 PolarHBondContact NZ-O 3Å; K251-F333 WeakPolarHBondContact CD-O 3.44Å; K251-F333 PolarHBondContact NZ-O 2.87Å; K251-N334 WeakPolarHBondContact CE-OD1 3.45Å; K251-N334 PolarHBondContact NZ-OD1 2.94Å |
| 252 | Q | 80.2 | Confident | 83.1 | Confident | 106 Ų | 106 | 30.6 Ų | 30.6 | 50% | 0.495 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.2 | -33 | 178.8 | -176.3 | 176 | -20.5 | 0 | 0 | 112.5 | L248 I249 N334 | L248-Q252 VanDerWaalsContact O-CB 3.23Å; L248-Q252 WeakPolarHBondContact O-CB 3.14Å; L248-Q252 PolarHBondContact O-N 3.3Å; I249-Q252 PolarHBondContact O-N 2.93Å; Q252-N334 WeakPolarHBondContact CA-O 3.14Å; Q252-N334 WeakPolarHBondContact CB-O 3.41Å |
| 253 | R | 79.1 | Confident | 82.5 | Confident | 108 Ų | 108 | 31.1 Ų | 31.1 | 41% | 0.408 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -87.4 | -6.4 | -179.8 | -68.8 | 178.7 | -179.1 | -155 | -3.9 | 114.1 | I249 E250 K251 I255 D649 | I249-R253 WeakPolarHBondContact O-CG 3.08Å; I249-R253 PolarHBondContact O-N 3.27Å; I249-R253 VanDerWaalsContact O-N 3.15Å; E250-R253 PolarHBondContact O-N 2.94Å; K251-R253 VanDerWaalsContact C-N 3.27Å; K251-R253 PolarHBondContact O-N 3.33Å; R253-I255 VanDerWaalsContact C-N 3.27Å; R253-I255 HydrophobicContact CB-CD1 3.91Å; R253-I255 HydrophobicContact CB-CG1 3.85Å; R253-I255 PolarHBondContact O-N 3.48Å; R253-D649 IonicContact CZ-OD2 3.56Å; R253-D649 IonicContact NH1-OD1 2.9Å; R253-D649 IonicContact NH1-OD2 2.73Å; R253-D649 PolarHBondContact NH1-OD2 3.1Å; R253-D649 IonicContact NH2-OD2 3.96Å; R253-D649 PolarHBondContact NH2-OD2 3.31Å |
| 254 | G | 80.2 | Confident | 82.1 | Confident | 15 Ų | 15 | 31.4 Ų | 31.4 | 16% | 0.155 | 15% | 0.154 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 9.2 | -176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E250 K251 K256 E257 M258 | E250-G254 PolarHBondContact O-N 3.26Å; K251-G254 PolarHBondContact O-N 3.1Å; G254-K256 VanDerWaalsContact C-N 3.33Å; G254-K256 PolarHBondContact O-N 2.97Å; G254-E257 PolarHBondContact O-N 2.81Å; G254-M258 PolarHBondContact O-N 3.12Å; G254-M258 VanDerWaalsContact O-N 3.14Å |
| 255 | I | 84.5 | Confident | 81.6 | Confident | 2 Ų | 2 | 33.1 Ų | 33.1 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -63.9 | -38.6 | -175.9 | -67.7 | 174.2 | 0 | 0 | 0 | 111.4 | E250 R253 E257 M258 L259 V646 Y648 | E250-I255 HydrophobicContact CB-CB 4.27Å; E250-I255 HydrophobicContact CG-CG2 4.41Å; E250-I255 PolarHBondContact O-N 3.23Å; R253-I255 VanDerWaalsContact C-N 3.27Å; R253-I255 HydrophobicContact CB-CD1 3.91Å; R253-I255 HydrophobicContact CB-CG1 3.85Å; R253-I255 PolarHBondContact O-N 3.48Å; I255-E257 PolarHBondContact O-N 3.44Å; I255-M258 PolarHBondContact O-N 3.26Å; I255-L259 HydrophobicContact CG2-CD1 4.29Å; I255-L259 HydrophobicContact CG2-CG 4.43Å; I255-L259 WeakPolarHBondContact O-CG 3.44Å; I255-L259 PolarHBondContact O-N 3.32Å; I255-V646 HydrophobicContact CB-CG1 4.21Å; I255-V646 HydrophobicContact CG1-CG1 3.66Å; I255-Y648 HydrophobicContact CD1-CD1 3.8Å; I255-Y648 HydrophobicContact CD1-CE1 3.84Å; I255-Y648 HydrophobicContact CD1-CG 4.18Å; I255-Y648 HydrophobicContact CG2-CE1 3.74Å; I255-Y648 HydrophobicContact CG2-CE2 3.72Å; I255-Y648 WeakPolarHBondContact CG2-OH 3.47Å |
| 256 | K | 82.7 | Confident | 81.2 | Confident | 11 Ų | 11 | 30 Ų | 30 | 5% | 0.048 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -55.1 | -42.4 | 176.5 | 179.3 | -179 | 174 | -176 | 0 | 111.6 | G254 L259 K260 E266 Y269 S436 | G254-K256 VanDerWaalsContact C-N 3.33Å; G254-K256 PolarHBondContact O-N 2.97Å; K256-L259 PolarHBondContact O-N 2.83Å; K256-K260 PolarHBondContact O-N 3.24Å; K256-E266 IonicContact NZ-OE1 3.36Å; K256-Y269 HydrophobicContact CB-CE2 4.41Å; K256-Y269 HydrophobicContact CD-CD1 4.32Å; K256-Y269 HydrophobicContact CD-CE1 4Å; K256-Y269 HydrophobicContact CG-CD2 4.4Å; K256-Y269 HydrophobicContact CG-CE1 4.32Å; K256-Y269 HydrophobicContact CG-CE2 4.22Å; K256-S436 PolarHBondContact NZ-OG 2.96Å |
| 257 | E | 78.7 | Confident | 81 | Confident | 23 Ų | 23 | 31 Ų | 31 | 11% | 0.107 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -78.8 | -34.1 | -176.4 | -46.9 | -50.4 | 156.3 | 0 | 0 | 111.5 | G254 I255 L259 K260 L261 | G254-E257 PolarHBondContact O-N 2.81Å; I255-E257 PolarHBondContact O-N 3.44Å; E257-L259 VanDerWaalsContact C-N 3.3Å; E257-L259 PolarHBondContact O-N 2.63Å; E257-K260 PolarHBondContact O-N 3.43Å; E257-K260 IonicContact OE1-NZ 2.81Å; E257-K260 VanDerWaalsContact OE2-CD 3.28Å; E257-K260 WeakPolarHBondContact OE2-CD 3.12Å; E257-K260 VanDerWaalsContact OE2-CE 3.29Å; E257-K260 WeakPolarHBondContact OE2-CE 3.4Å; E257-K260 IonicContact OE2-NZ 2.75Å; E257-K260 PolarHBondContact OE2-NZ 3.39Å; E257-L261 WeakPolarHBondContact O-CG 3.49Å; E257-L261 PolarHBondContact O-N 3.47Å |
| 258 | M | 83.3 | Confident | 80.9 | Confident | 34 Ų | 34 | 31.8 Ų | 31.8 | 17% | 0.167 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -60.3 | -40.1 | 168.9 | -172.3 | 179.1 | 75.2 | 0 | 0 | 111.9 | G254 I255 K260 L261 L262 V646 M707 | G254-M258 PolarHBondContact O-N 3.12Å; G254-M258 VanDerWaalsContact O-N 3.14Å; I255-M258 PolarHBondContact O-N 3.26Å; M258-K260 VanDerWaalsContact C-N 3.32Å; M258-K260 PolarHBondContact O-N 2.79Å; M258-L261 PolarHBondContact O-N 2.94Å; M258-L262 HydrophobicContact CG-CD1 4.42Å; M258-L262 WeakPolarHBondContact O-CG 3.21Å; M258-L262 PolarHBondContact O-N 2.97Å; M258-L262 VanDerWaalsContact O-N 3.11Å; M258-V646 HydrophobicContact CB-CB 4.36Å; M258-V646 HydrophobicContact CB-CG1 3.85Å; M258-V646 HydrophobicContact CE-CB 4.48Å; M258-V646 HydrophobicContact CE-CG1 4.19Å; M258-V646 WeakPolarHBondContact CE-O 3.25Å; M258-V646 HydrophobicContact CG-CG1 4.48Å; M258-V646 HydrophobicContact SD-CB 3.7Å; M258-V646 HydrophobicContact SD-CG1 3.9Å; M258-M707 HydrophobicContact CE-CE 3.4Å; M258-M707 HydrophobicContact SD-CE 3.79Å |
| 259 | L | 83.3 | Confident | 81 | Confident | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.01 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.1 | -36.9 | 175.3 | -69.6 | 173 | 0 | 0 | 0 | 112.1 | I255 K256 E257 L262 G263 L264 Y269 L659 L663 | I255-L259 HydrophobicContact CG2-CD1 4.29Å; I255-L259 HydrophobicContact CG2-CG 4.43Å; I255-L259 WeakPolarHBondContact O-CG 3.44Å; I255-L259 PolarHBondContact O-N 3.32Å; K256-L259 PolarHBondContact O-N 2.83Å; E257-L259 VanDerWaalsContact C-N 3.3Å; E257-L259 PolarHBondContact O-N 2.63Å; L259-L262 PolarHBondContact O-N 3.49Å; L259-G263 PolarHBondContact O-N 3.46Å; L259-L264 HydrophobicContact CB-CB 4.14Å; L259-L264 HydrophobicContact CB-CD2 3.83Å; L259-L264 HydrophobicContact CD1-CD2 4.1Å; L259-L264 HydrophobicContact CG-CD2 4.49Å; L259-L264 WeakPolarHBondContact O-CB 3.49Å; L259-L264 PolarHBondContact O-N 2.91Å; L259-Y269 HydrophobicContact CD1-CD2 4.46Å; L259-Y269 HydrophobicContact CD1-CE2 4.5Å; L259-L659 HydrophobicContact CD2-CD2 4.32Å; L259-L663 HydrophobicContact CD2-CD1 3.58Å |
| 260 | K | 77.9 | Confident | 81.1 | Confident | 48 Ų | 48 | 30.4 Ų | 30.4 | 21% | 0.209 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.1 | -41.7 | 174.5 | -69.3 | -175 | -168.7 | 158.3 | 0 | 112 | K256 E257 M258 L262 G263 | K256-K260 PolarHBondContact O-N 3.24Å; E257-K260 PolarHBondContact O-N 3.43Å; E257-K260 IonicContact OE1-NZ 2.81Å; E257-K260 VanDerWaalsContact OE2-CD 3.28Å; E257-K260 WeakPolarHBondContact OE2-CD 3.12Å; E257-K260 VanDerWaalsContact OE2-CE 3.29Å; E257-K260 WeakPolarHBondContact OE2-CE 3.4Å; E257-K260 IonicContact OE2-NZ 2.75Å; E257-K260 PolarHBondContact OE2-NZ 3.39Å; M258-K260 VanDerWaalsContact C-N 3.32Å; M258-K260 PolarHBondContact O-N 2.79Å; K260-L262 PolarHBondContact O-N 2.82Å; K260-G263 PolarHBondContact O-N 2.94Å |
| 261 | L | 77.3 | Confident | 81.3 | Confident | 23 Ų | 23 | 35.1 Ų | 35.1 | 12% | 0.12 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.4 | -24.2 | 175.2 | -70.2 | 171 | 0 | 0 | 0 | 113.1 | E257 M258 G263 T610 L612 F640 | E257-L261 WeakPolarHBondContact O-CG 3.49Å; E257-L261 PolarHBondContact O-N 3.47Å; M258-L261 PolarHBondContact O-N 2.94Å; L261-G263 VanDerWaalsContact C-N 3.28Å; L261-T610 WeakPolarHBondContact CD2-O 3.36Å; L261-L612 HydrophobicContact CD1-CD1 4.31Å; L261-L612 HydrophobicContact CD1-CD2 4.22Å; L261-L612 HydrophobicContact CD1-CG 4.46Å; L261-L612 HydrophobicContact CD2-CD2 4.19Å; L261-L612 HydrophobicContact CD2-CG 4.15Å; L261-L612 HydrophobicContact CG-CD2 4.34Å; L261-F640 HydrophobicContact CD1-CD1 3.71Å; L261-F640 HydrophobicContact CD1-CE1 4.06Å |
| 262 | L | 78.8 | Confident | 81.6 | Confident | 12 Ų | 12 | 33.3 Ų | 33.3 | 6% | 0.063 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.6 | 6.5 | 172.7 | -67.9 | 168.4 | 0 | 0 | 0 | 113 | M258 L259 K260 L663 R664 M707 | M258-L262 HydrophobicContact CG-CD1 4.42Å; M258-L262 WeakPolarHBondContact O-CG 3.21Å; M258-L262 PolarHBondContact O-N 2.97Å; M258-L262 VanDerWaalsContact O-N 3.11Å; L259-L262 PolarHBondContact O-N 3.49Å; K260-L262 PolarHBondContact O-N 2.82Å; L262-L663 HydrophobicContact CB-CB 4.05Å; L262-L663 HydrophobicContact CB-CD1 4.18Å; L262-L663 HydrophobicContact CD1-CD1 4.18Å; L262-L663 CarbonylContact O-C 3.57Å; L262-L663 WeakPolarHBondContact O-CB 3.36Å; L262-L663 VanDerWaalsContact O-O 3.1Å; L262-R664 HydrophobicContact CD2-CG 4.41Å; L262-M707 HydrophobicContact CD1-CE 4.46Å |
| 263 | G | 72.7 | Confident | 82 | Confident | 35 Ų | 35 | 28.5 Ų | 28.5 | 36% | 0.361 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 97.5 | 13.5 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | L259 K260 L261 G265 | L259-G263 PolarHBondContact O-N 3.46Å; K260-G263 PolarHBondContact O-N 2.94Å; L261-G263 VanDerWaalsContact C-N 3.28Å; G263-G265 PolarHBondContact O-N 3.4Å |
| 264 | L | 78.8 | Confident | 82.5 | Confident | 7 Ų | 7 | 24.4 Ų | 24.4 | 4% | 0.037 | 14% | 0.144 | C | C | . | . | trans | -81.8 | 117.9 | 177.7 | -169.5 | 69.1 | 0 | 0 | 0 | 112.5 | N7 V11 L259 T268 Y269 L663 | N7-L264 HydrophobicContact CB-CD1 4.22Å; V11-L264 HydrophobicContact CG2-CD1 3.86Å; V11-L264 HydrophobicContact CG2-CD2 4.15Å; L259-L264 HydrophobicContact CB-CB 4.14Å; L259-L264 HydrophobicContact CB-CD2 3.83Å; L259-L264 HydrophobicContact CD1-CD2 4.1Å; L259-L264 HydrophobicContact CG-CD2 4.49Å; L259-L264 WeakPolarHBondContact O-CB 3.49Å; L259-L264 PolarHBondContact O-N 2.91Å; L264-T268 HydrophobicContact CD1-CG2 3.7Å; L264-Y269 HydrophobicContact CD2-CD2 4.17Å; L264-L663 HydrophobicContact CB-CD2 4.43Å; L264-L663 HydrophobicContact CD1-CD2 4.07Å | ||
| 265 | G | 77 | Confident | 82.9 | Confident | 35 Ų | 35 | 27.2 Ų | 27.2 | 36% | 0.361 | 15% | 0.154 | S | C | . | . | trans | -62.6 | 146.3 | 169.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | G263 S267 T268 Y269 | G263-G265 PolarHBondContact O-N 3.4Å; G265-S267 VanDerWaalsContact C-N 3.34Å; G265-S267 PolarHBondContact O-N 2.76Å; G265-T268 PolarHBondContact O-N 3.34Å; G265-Y269 PolarHBondContact O-N 2.95Å | ||
| 266 | E | 77.3 | Confident | 83 | Confident | 35 Ų | 35 | 27.6 Ų | 27.6 | 16% | 0.164 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -34.7 | -176.9 | -179.3 | 162.6 | -142.7 | 0 | 0 | 113.5 | K256 S436 | K256-E266 IonicContact NZ-OE1 3.36Å; E266-S436 VanDerWaalsContact OE1-CB 3.27Å; E266-S436 WeakPolarHBondContact OE1-CB 3.46Å; E266-S436 PolarHBondContact OE1-OG 3.24Å |
| 267 | S | 82 | Confident | 83.2 | Confident | 59 Ų | 59 | 27.2 Ų | 27.2 | 41% | 0.413 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -65 | -46.8 | 174.9 | 50.8 | 0 | 0 | 0 | 0 | 111 | G265 Y269 W270 F271 | G265-S267 VanDerWaalsContact C-N 3.34Å; G265-S267 PolarHBondContact O-N 2.76Å; S267-Y269 PolarHBondContact O-N 2.97Å; S267-W270 PolarHBondContact O-N 2.69Å; S267-W270 VanDerWaalsContact O-N 3.15Å; S267-F271 VanDerWaalsContact O-CD2 3.26Å; S267-F271 WeakPolarHBondContact O-CD2 3.31Å; S267-F271 PolarHBondContact O-N 2.86Å |
| 268 | T | 85.9 | Confident | 83.7 | Confident | 20 Ų | 20 | 28.9 Ų | 28.9 | 12% | 0.123 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -57.1 | -38.8 | 179.4 | -49.8 | 0 | 0 | 0 | 0 | 111.9 | F8 L264 G265 S272 | F8-T268 HydrophobicContact CB-CG2 3.72Å; F8-T268 HydrophobicContact CD2-CG2 4.17Å; F8-T268 HydrophobicContact CG-CG2 4.47Å; L264-T268 HydrophobicContact CD1-CG2 3.7Å; G265-T268 PolarHBondContact O-N 3.34Å; T268-S272 WeakPolarHBondContact O-CB 3.34Å; T268-S272 PolarHBondContact O-N 2.61Å; T268-S272 PolarHBondContact O-OG 3.14Å |
| 269 | Y | 87.4 | Confident | 83.9 | Confident | 4 Ų | 4 | 33.4 Ų | 33.4 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -56.8 | -54.8 | 174.6 | 177.7 | -98.5 | 0 | 0 | 0 | 112 | E250 K256 L259 L264 G265 S267 S272 W273 | E250-Y269 WeakPolarHBondContact OE2-CE2 3.47Å; E250-Y269 PolarHBondContact OE2-OH 2.99Å; K256-Y269 HydrophobicContact CB-CE2 4.41Å; K256-Y269 HydrophobicContact CD-CD1 4.32Å; K256-Y269 HydrophobicContact CD-CE1 4Å; K256-Y269 HydrophobicContact CG-CD2 4.4Å; K256-Y269 HydrophobicContact CG-CE1 4.32Å; K256-Y269 HydrophobicContact CG-CE2 4.22Å; L259-Y269 HydrophobicContact CD1-CD2 4.46Å; L259-Y269 HydrophobicContact CD1-CE2 4.5Å; L264-Y269 HydrophobicContact CD2-CD2 4.17Å; G265-Y269 PolarHBondContact O-N 2.95Å; S267-Y269 PolarHBondContact O-N 2.97Å; Y269-S272 PolarHBondContact O-N 3.15Å; Y269-S272 PolarHBondContact O-OG 3.12Å; Y269-W273 AromaticContact CE2-CD1 3.94Å; Y269-W273 AromaticContact CE2-NE1 3.72Å; Y269-W273 AromaticContact CZ-CD1 3.71Å; Y269-W273 AromaticContact CZ-NE1 3.6Å; Y269-W273 PolarHBondContact O-N 2.8Å; Y269-W273 PolarHBondContact OH-NE1 3.46Å |
| 270 | W | 88.1 | Confident | 84 | Confident | 15 Ų | 15 | 33.5 Ų | 33.5 | 6% | 0.057 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.9 | -40.2 | -177.6 | -68.3 | 114.2 | 0 | 0 | 0 | 112.5 | I247 S267 S272 W273 L274 F327 T331 T432 | I247-W270 HydrophobicContact CD1-CZ3 4.29Å; I247-W270 HydrophobicContact CG2-CH2 4.19Å; I247-W270 HydrophobicContact CG2-CZ3 4.08Å; S267-W270 PolarHBondContact O-N 2.69Å; S267-W270 VanDerWaalsContact O-N 3.15Å; W270-S272 VanDerWaalsContact C-N 3.34Å; W270-S272 PolarHBondContact O-N 2.65Å; W270-W273 PolarHBondContact O-N 3.34Å; W270-L274 WeakPolarHBondContact O-CB 2.92Å; W270-L274 PolarHBondContact O-N 2.99Å; W270-F327 HydrophobicContact CE3-CD2 4.19Å; W270-F327 HydrophobicContact CE3-CE2 4.44Å; W270-F327 HydrophobicContact CZ3-CG 4.46Å; W270-T331 HydrophobicContact CH2-CG2 3.72Å; W270-T331 HydrophobicContact CZ2-CG2 3.76Å; W270-T432 HydrophobicContact CD2-CG2 3.62Å; W270-T432 HydrophobicContact CE3-CG2 3.7Å; W270-T432 HydrophobicContact CG-CG2 4.26Å; W270-T432 HydrophobicContact CH2-CG2 3.87Å; W270-T432 HydrophobicContact CZ2-CG2 3.78Å; W270-T432 HydrophobicContact CZ3-CG2 3.82Å |
| 271 | F | 88.7 | Confident | 84.6 | Confident | 106 Ų | 106 | 31.3 Ų | 31.3 | 47% | 0.465 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -64 | -37.3 | 176.4 | -84.4 | -71.6 | 0 | 0 | 0 | 112.4 | F8 S267 W273 L274 I275 | F8-F271 HydrophobicContact CD2-CB 4.37Å; F8-F271 HydrophobicContact CE2-CB 3.97Å; S267-F271 VanDerWaalsContact O-CD2 3.26Å; S267-F271 WeakPolarHBondContact O-CD2 3.31Å; S267-F271 PolarHBondContact O-N 2.86Å; F271-W273 VanDerWaalsContact C-N 3.3Å; F271-W273 PolarHBondContact O-N 2.76Å; F271-L274 HydrophobicContact CD1-CD2 3.96Å; F271-L274 HydrophobicContact CE1-CD2 4.13Å; F271-L274 WeakPolarHBondContact O-CB 3.08Å; F271-L274 PolarHBondContact O-N 3.1Å; F271-L274 VanDerWaalsContact O-N 3.16Å; F271-I275 PolarHBondContact O-N 2.84Å |
| 272 | S | 90 | Very high | 85.4 | Confident | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.3 | -40.3 | 178.4 | 75 | 0 | 0 | 0 | 0 | 111.9 | V11 N15 T268 Y269 W270 T276 | V11-S272 VanDerWaalsContact CG1-OG 3.3Å; V11-S272 WeakPolarHBondContact CG1-OG 3.48Å; N15-S272 PolarHBondContact ND2-O 3.23Å; N15-S272 PolarHBondContact ND2-OG 3.22Å; T268-S272 WeakPolarHBondContact O-CB 3.34Å; T268-S272 PolarHBondContact O-N 2.61Å; T268-S272 PolarHBondContact O-OG 3.14Å; Y269-S272 PolarHBondContact O-N 3.15Å; Y269-S272 PolarHBondContact O-OG 3.12Å; W270-S272 VanDerWaalsContact C-N 3.34Å; W270-S272 PolarHBondContact O-N 2.65Å; S272-T276 PolarHBondContact O-N 3.02Å; S272-T276 VanDerWaalsContact O-N 3.15Å; S272-T276 PolarHBondContact O-OG1 3.29Å |
| 273 | W | 89 | Confident | 86 | Confident | 5 Ų | 5 | 34 Ų | 34 | 2% | 0.019 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -71.4 | -36.2 | 174.6 | -83.9 | 117.4 | 0 | 0 | 0 | 111.5 | N15 L246 I247 E250 Y269 W270 F271 N277 F327 | N15-W273 HydrophobicContact CB-CZ3 4.38Å; N15-W273 WeakPolarHBondContact OD1-CZ2 3.2Å; L246-W273 HydrophobicContact CB-CH2 3.67Å; L246-W273 HydrophobicContact CB-CZ2 4.3Å; L246-W273 HydrophobicContact CB-CZ3 4.19Å; L246-W273 HydrophobicContact CD1-CH2 3.97Å; L246-W273 HydrophobicContact CD1-CZ3 4Å; L246-W273 HydrophobicContact CG-CH2 4.43Å; I247-W273 HydrophobicContact CD1-CG 4.38Å; I247-W273 HydrophobicContact CG1-CD2 4.1Å; I247-W273 HydrophobicContact CG1-CG 4.21Å; E250-W273 WeakPolarHBondContact OE1-CZ2 3.41Å; E250-W273 PolarHBondContact OE2-NE1 3.37Å; E250-W273 VanDerWaalsContact OE2-NE1 3.16Å; Y269-W273 AromaticContact CE2-CD1 3.94Å; Y269-W273 AromaticContact CE2-NE1 3.72Å; Y269-W273 AromaticContact CZ-CD1 3.71Å; Y269-W273 AromaticContact CZ-NE1 3.6Å; Y269-W273 PolarHBondContact O-N 2.8Å; Y269-W273 PolarHBondContact OH-NE1 3.46Å; W270-W273 PolarHBondContact O-N 3.34Å; F271-W273 VanDerWaalsContact C-N 3.3Å; F271-W273 PolarHBondContact O-N 2.76Å; W273-N277 WeakPolarHBondContact O-CB 3.38Å; W273-N277 PolarHBondContact O-N 3.49Å; W273-N277 PolarHBondContact O-ND2 3.01Å; W273-F327 HydrophobicContact CB-CE2 4.3Å; W273-F327 HydrophobicContact CB-CZ 3.71Å |
| 274 | L | 89.6 | Confident | 86.9 | Confident | 22 Ų | 22 | 32.4 Ų | 32.4 | 12% | 0.115 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -59.3 | -51.7 | 175.5 | -174.9 | 67.2 | 0 | 0 | 0 | 111.3 | W270 F271 N277 L278 F323 T324 F327 L429 | W270-L274 WeakPolarHBondContact O-CB 2.92Å; W270-L274 PolarHBondContact O-N 2.99Å; F271-L274 HydrophobicContact CD1-CD2 3.96Å; F271-L274 HydrophobicContact CE1-CD2 4.13Å; F271-L274 WeakPolarHBondContact O-CB 3.08Å; F271-L274 PolarHBondContact O-N 3.1Å; F271-L274 VanDerWaalsContact O-N 3.16Å; L274-N277 PolarHBondContact O-N 3.04Å; L274-L278 WeakPolarHBondContact O-CB 3.37Å; L274-L278 PolarHBondContact O-N 2.83Å; L274-F323 HydrophobicContact CD1-CD1 4.07Å; L274-F323 HydrophobicContact CD1-CE1 3.7Å; L274-T324 HydrophobicContact CD1-CG2 3.97Å; L274-F327 HydrophobicContact CB-CE2 4.31Å; L274-L429 HydrophobicContact CD1-CD2 4.44Å; L274-L429 HydrophobicContact CD2-CD1 4.1Å; L274-L429 HydrophobicContact CD2-CD2 4.3Å |
| 275 | I | 89.1 | Confident | 87.6 | Confident | 74 Ų | 74 | 32 Ų | 32 | 38% | 0.379 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -68.9 | -40.3 | -176.7 | -67.6 | -58.2 | 0 | 0 | 0 | 112.5 | F8 T12 F271 N277 L278 F279 | F8-I275 HydrophobicContact CE2-CG1 4.34Å; F8-I275 HydrophobicContact CZ-CB 4Å; F8-I275 HydrophobicContact CZ-CG1 3.75Å; F8-I275 HydrophobicContact CZ-CG2 4.28Å; T12-I275 HydrophobicContact CG2-CG2 4.4Å; F271-I275 PolarHBondContact O-N 2.84Å; I275-N277 VanDerWaalsContact C-N 3.28Å; I275-N277 PolarHBondContact O-N 3.28Å; I275-L278 HydrophobicContact CD1-CD2 4.14Å; I275-L278 WeakPolarHBondContact O-CB 3.08Å; I275-L278 PolarHBondContact O-N 2.6Å; I275-F279 PolarHBondContact O-N 2.85Å |
| 276 | T | 85.9 | Confident | 88.4 | Confident | 10 Ų | 10 | 33.9 Ų | 33.9 | 6% | 0.061 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -61.5 | -41.3 | 178.6 | -51.4 | 0 | 0 | 0 | 0 | 111.3 | N15 I16 S272 | N15-T276 HydrophobicContact CB-CG2 3.76Å; N15-T276 VanDerWaalsContact CB-OG1 3.26Å; N15-T276 WeakPolarHBondContact CB-OG1 3.49Å; N15-T276 PolarHBondContact ND2-OG1 3.05Å; I16-T276 HydrophobicContact CG1-CG2 3.87Å; S272-T276 PolarHBondContact O-N 3.02Å; S272-T276 VanDerWaalsContact O-N 3.15Å; S272-T276 PolarHBondContact O-OG1 3.29Å |
| 277 | N | 86.3 | Confident | 89.1 | Confident | 3 Ų | 3 | 36.5 Ų | 36.5 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -80.1 | -30 | -179.5 | -69.9 | -60.3 | 0 | 0 | 0 | 112.2 | C243 W273 L274 I275 F279 V280 F281 F323 | C243-N277 VanDerWaalsContact SG-CG 3.55Å; C243-N277 PolarHBondContact SG-OD1 2.79Å; W273-N277 WeakPolarHBondContact O-CB 3.38Å; W273-N277 PolarHBondContact O-N 3.49Å; W273-N277 PolarHBondContact O-ND2 3.01Å; L274-N277 PolarHBondContact O-N 3.04Å; I275-N277 VanDerWaalsContact C-N 3.28Å; I275-N277 PolarHBondContact O-N 3.28Å; N277-F279 PolarHBondContact O-N 2.91Å; N277-V280 WeakPolarHBondContact O-CA 3.39Å; N277-V280 WeakPolarHBondContact O-CB 3.23Å; N277-V280 PolarHBondContact O-N 2.89Å; N277-F281 HydrophobicContact CB-CD2 4.3Å; N277-F281 HydrophobicContact CB-CE2 4.33Å; N277-F281 VanDerWaalsContact O-CD2 3.24Å; N277-F281 WeakPolarHBondContact O-CD2 3.4Å; N277-F281 PolarHBondContact O-N 2.8Å; N277-F323 HydrophobicContact CB-CD2 4.37Å; N277-F323 HydrophobicContact CB-CE1 3.82Å; N277-F323 HydrophobicContact CB-CE2 3.53Å; N277-F323 HydrophobicContact CB-CZ 3.16Å; N277-F323 VanDerWaalsContact ND2-CZ 3.29Å; N277-F323 WeakPolarHBondContact ND2-CZ 3.32Å |
| 278 | L | 89.7 | Confident | 89.6 | Confident | 58 Ų | 58 | 33.8 Ų | 33.8 | 30% | 0.304 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -52.3 | -41.3 | 172.4 | -176.4 | 68.7 | 0 | 0 | 0 | 110.9 | L274 I275 V280 F281 T282 L316 I320 | L274-L278 WeakPolarHBondContact O-CB 3.37Å; L274-L278 PolarHBondContact O-N 2.83Å; I275-L278 HydrophobicContact CD1-CD2 4.14Å; I275-L278 WeakPolarHBondContact O-CB 3.08Å; I275-L278 PolarHBondContact O-N 2.6Å; L278-V280 PolarHBondContact O-N 3.42Å; L278-F281 PolarHBondContact O-N 2.8Å; L278-T282 VanDerWaalsContact O-CB 3.3Å; L278-T282 WeakPolarHBondContact O-CB 3.43Å; L278-T282 PolarHBondContact O-N 2.68Å; L278-T282 PolarHBondContact O-OG1 2.87Å; L278-L316 HydrophobicContact CD1-CD1 4.31Å; L278-I320 HydrophobicContact CD1-CD1 3.65Å; L278-I320 HydrophobicContact CD1-CG1 3.66Å |
| 279 | F | 87.1 | Confident | 90 | Very high | 129 Ų | 129 | 33 Ų | 33 | 57% | 0.566 | 16% | 0.161 | S | C | * | . | H | α-helix | trans | -59.1 | -45.3 | 174.7 | -180 | -102 | 0 | 0 | 0 | 112.8 | I275 N277 T282 L283 | I275-F279 PolarHBondContact O-N 2.85Å; N277-F279 PolarHBondContact O-N 2.91Å; F279-T282 WeakPolarHBondContact O-CB 3.4Å; F279-T282 PolarHBondContact O-N 3.28Å; F279-L283 HydrophobicContact CD1-CD1 4.2Å; F279-L283 HydrophobicContact CE1-CD1 3.56Å; F279-L283 HydrophobicContact CE1-CG 4.37Å; F279-L283 HydrophobicContact CZ-CD1 3.79Å; F279-L283 HydrophobicContact CZ-CG 4.32Å; F279-L283 PolarHBondContact O-N 3.42Å |
| 280 | V | 86.2 | Confident | 90.1 | Very high | 4 Ų | 4 | 35.9 Ų | 35.9 | 2% | 0.024 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64.6 | -46.7 | 178.1 | 179.9 | 0 | 0 | 0 | 0 | 111.2 | F19 I30 N277 L278 T282 L283 I284 | F19-V280 HydrophobicContact CE1-CG2 4.11Å; F19-V280 HydrophobicContact CE2-CG2 3.87Å; F19-V280 HydrophobicContact CZ-CG1 4.34Å; F19-V280 HydrophobicContact CZ-CG2 3.6Å; I30-V280 HydrophobicContact CG1-CG1 4.35Å; N277-V280 WeakPolarHBondContact O-CA 3.39Å; N277-V280 WeakPolarHBondContact O-CB 3.23Å; N277-V280 PolarHBondContact O-N 2.89Å; L278-V280 PolarHBondContact O-N 3.42Å; V280-T282 VanDerWaalsContact C-N 3.27Å; V280-T282 PolarHBondContact O-N 2.84Å; V280-L283 PolarHBondContact O-N 2.78Å; V280-I284 HydrophobicContact CG1-CD1 3.95Å; V280-I284 WeakPolarHBondContact O-CG1 3.14Å; V280-I284 PolarHBondContact O-N 3.11Å |
| 281 | F | 90.7 | Very high | 90.3 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 0% | 0.004 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -66.9 | -29.2 | 177.8 | -77.4 | -80.6 | 0 | 0 | 0 | 112.6 | F236 P239 N277 L278 S285 F323 | F236-F281 AromaticContact CD1-CD1 3.82Å; F236-F281 HydrophobicContact CD1-CD1 3.82Å; F236-F281 AromaticContact CD1-CE1 3.89Å; F236-F281 HydrophobicContact CD1-CE1 3.89Å; F236-F281 AromaticContact CE1-CD1 3.97Å; F236-F281 HydrophobicContact CE1-CD1 3.97Å; F236-F281 HydrophobicContact CE1-CE1 4.5Å; P239-F281 HydrophobicContact CB-CE1 3.87Å; P239-F281 HydrophobicContact CB-CZ 3.79Å; N277-F281 HydrophobicContact CB-CD2 4.3Å; N277-F281 HydrophobicContact CB-CE2 4.33Å; N277-F281 VanDerWaalsContact O-CD2 3.24Å; N277-F281 WeakPolarHBondContact O-CD2 3.4Å; N277-F281 PolarHBondContact O-N 2.8Å; L278-F281 PolarHBondContact O-N 2.8Å; F281-S285 VanDerWaalsContact O-CB 3.28Å; F281-S285 WeakPolarHBondContact O-CB 3.44Å; F281-S285 PolarHBondContact O-N 2.86Å; F281-S285 PolarHBondContact O-OG 3.43Å; F281-F323 HydrophobicContact CD2-CB 4.4Å; F281-F323 HydrophobicContact CD2-CD2 4.48Å; F281-F323 HydrophobicContact CD2-CG 4.33Å; F281-F323 HydrophobicContact CE2-CB 3.79Å; F281-F323 AromaticContact CE2-CD2 3.54Å; F281-F323 HydrophobicContact CE2-CD2 3.54Å; F281-F323 HydrophobicContact CE2-CE2 4.18Å; F281-F323 AromaticContact CE2-CG 3.7Å; F281-F323 HydrophobicContact CE2-CG 3.7Å; F281-F323 HydrophobicContact CZ-CB 3.87Å; F281-F323 HydrophobicContact CZ-CD2 4.06Å; F281-F323 HydrophobicContact CZ-CG 4.21Å |
| 282 | T | 92.7 | Very high | 90.4 | Very high | 45 Ų | 45 | 31.9 Ų | 31.9 | 28% | 0.276 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -65.7 | -47.8 | 172.8 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | L278 F279 V280 I284 S285 L286 F312 | L278-T282 VanDerWaalsContact O-CB 3.3Å; L278-T282 WeakPolarHBondContact O-CB 3.43Å; L278-T282 PolarHBondContact O-N 2.68Å; L278-T282 PolarHBondContact O-OG1 2.87Å; F279-T282 WeakPolarHBondContact O-CB 3.4Å; F279-T282 PolarHBondContact O-N 3.28Å; V280-T282 VanDerWaalsContact C-N 3.27Å; V280-T282 PolarHBondContact O-N 2.84Å; T282-I284 PolarHBondContact O-N 3.27Å; T282-S285 PolarHBondContact O-N 2.78Å; T282-L286 VanDerWaalsContact O-CB 3.28Å; T282-L286 WeakPolarHBondContact O-CB 3.39Å; T282-L286 PolarHBondContact O-N 2.89Å; T282-F312 HydrophobicContact CG2-CE2 4.3Å; T282-F312 HydrophobicContact CG2-CZ 4.02Å |
| 283 | L | 91.1 | Very high | 90.4 | Very high | 48 Ų | 48 | 32.6 Ų | 32.6 | 25% | 0.251 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -60.9 | -45.7 | 175.7 | -73.4 | 176.9 | 0 | 0 | 0 | 111.8 | F279 V280 S285 L286 F287 | F279-L283 HydrophobicContact CD1-CD1 4.2Å; F279-L283 HydrophobicContact CE1-CD1 3.56Å; F279-L283 HydrophobicContact CE1-CG 4.37Å; F279-L283 HydrophobicContact CZ-CD1 3.79Å; F279-L283 HydrophobicContact CZ-CG 4.32Å; F279-L283 PolarHBondContact O-N 3.42Å; V280-L283 PolarHBondContact O-N 2.78Å; L283-S285 PolarHBondContact O-N 2.84Å; L283-L286 PolarHBondContact O-N 3.14Å; L283-F287 HydrophobicContact CB-CE2 4.41Å; L283-F287 HydrophobicContact CD2-CE2 4.34Å; L283-F287 WeakPolarHBondContact O-CD2 3.36Å; L283-F287 PolarHBondContact O-N 3.38Å |
| 284 | I | 91.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 178 | -68 | 169.2 | 0 | 0 | 0 | 110.6 | I30 P33 F236 P239 V280 T282 L286 F287 L288 | I30-I284 HydrophobicContact CB-CG1 4.45Å; I30-I284 HydrophobicContact CG1-CG1 4.23Å; I30-I284 HydrophobicContact CG2-CG1 4.27Å; P33-I284 HydrophobicContact CB-CG2 4.1Å; P33-I284 HydrophobicContact CG-CD1 4.4Å; P33-I284 HydrophobicContact CG-CG2 4.18Å; F236-I284 HydrophobicContact CE1-CG2 4.04Å; F236-I284 HydrophobicContact CZ-CG2 4.2Å; P239-I284 HydrophobicContact CB-CD1 4.01Å; P239-I284 HydrophobicContact CG-CD1 3.58Å; V280-I284 HydrophobicContact CG1-CD1 3.95Å; V280-I284 WeakPolarHBondContact O-CG1 3.14Å; V280-I284 PolarHBondContact O-N 3.11Å; T282-I284 PolarHBondContact O-N 3.27Å; I284-L286 VanDerWaalsContact C-N 3.35Å; I284-L286 PolarHBondContact O-N 2.86Å; I284-F287 PolarHBondContact O-N 3.26Å; I284-L288 HydrophobicContact CG2-CD1 3.7Å; I284-L288 HydrophobicContact CG2-CG 4.3Å; I284-L288 VanDerWaalsContact O-CB 3.29Å; I284-L288 WeakPolarHBondContact O-CB 3.44Å; I284-L288 VanDerWaalsContact O-CG 3.24Å; I284-L288 WeakPolarHBondContact O-CG 3.21Å; I284-L288 PolarHBondContact O-N 3.49Å |
| 285 | S | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 40.8 Ų | 40.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.6 | -38 | -179.9 | -55.3 | 0 | 0 | 0 | 0 | 112 | F281 T282 L283 S289 | F281-S285 VanDerWaalsContact O-CB 3.28Å; F281-S285 WeakPolarHBondContact O-CB 3.44Å; F281-S285 PolarHBondContact O-N 2.86Å; F281-S285 PolarHBondContact O-OG 3.43Å; T282-S285 PolarHBondContact O-N 2.78Å; L283-S285 PolarHBondContact O-N 2.84Å; S285-S289 WeakPolarHBondContact O-CB 3.49Å; S285-S289 PolarHBondContact O-N 2.82Å; S285-S289 PolarHBondContact O-OG 3.16Å |
| 286 | L | 94.1 | Very high | 89.7 | Confident | 73 Ų | 73 | 42 Ų | 42 | 38% | 0.382 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.1 | -54.9 | 175.4 | -178.3 | 67.5 | 0 | 0 | 0 | 110.7 | T282 L283 I284 L288 S289 I290 F312 | T282-L286 VanDerWaalsContact O-CB 3.28Å; T282-L286 WeakPolarHBondContact O-CB 3.39Å; T282-L286 PolarHBondContact O-N 2.89Å; L283-L286 PolarHBondContact O-N 3.14Å; I284-L286 VanDerWaalsContact C-N 3.35Å; I284-L286 PolarHBondContact O-N 2.86Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 3.21Å; L286-S289 PolarHBondContact O-N 3.42Å; L286-S289 PolarHBondContact O-OG 2.81Å; L286-I290 HydrophobicContact CD1-CD1 4.47Å; L286-I290 HydrophobicContact CG-CD1 4.19Å; L286-I290 WeakPolarHBondContact O-CG1 3.24Å; L286-I290 PolarHBondContact O-N 3.05Å; L286-F312 HydrophobicContact CB-CD2 4.21Å; L286-F312 HydrophobicContact CB-CE2 3.94Å; L286-F312 HydrophobicContact CD1-CD2 4.41Å; L286-F312 HydrophobicContact CD1-CE2 4.45Å |
| 287 | F | 92.7 | Very high | 89.3 | Confident | 91 Ų | 91 | 42.5 Ų | 42.5 | 40% | 0.399 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.3 | -37.4 | 179.9 | -72.3 | -58.9 | 0 | 0 | 0 | 112.6 | I30 L34 L283 I284 I290 L291 | I30-F287 HydrophobicContact CG2-CD2 4.5Å; L34-F287 HydrophobicContact CD1-CB 4.03Å; L34-F287 HydrophobicContact CD1-CG 4.38Å; L34-F287 HydrophobicContact CD2-CB 3.5Å; L34-F287 VanDerWaalsContact CD2-CB 3.5Å; L34-F287 HydrophobicContact CG-CB 4.4Å; L283-F287 HydrophobicContact CB-CE2 4.41Å; L283-F287 HydrophobicContact CD2-CE2 4.34Å; L283-F287 WeakPolarHBondContact O-CD2 3.36Å; L283-F287 PolarHBondContact O-N 3.38Å; I284-F287 PolarHBondContact O-N 3.26Å; F287-I290 PolarHBondContact O-N 3.5Å; F287-L291 WeakPolarHBondContact O-CG 3.47Å; F287-L291 PolarHBondContact O-N 3.28Å |
| 288 | L | 92.3 | Very high | 88.7 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64 | -43.1 | 173.4 | -76 | 174.9 | 0 | 0 | 0 | 112.2 | L34 V37 L232 F236 I284 L286 I290 L291 L292 L315 | L34-L288 HydrophobicContact CD2-CD2 3.94Å; L34-L288 HydrophobicContact CD2-CG 4.02Å; V37-L288 HydrophobicContact CB-CD2 3.78Å; V37-L288 HydrophobicContact CG1-CD2 4.13Å; V37-L288 HydrophobicContact CG2-CD2 3.56Å; L232-L288 HydrophobicContact CD2-CD1 4.15Å; L232-L288 HydrophobicContact CD2-CD2 4.36Å; F236-L288 HydrophobicContact CE2-CD1 3.63Å; F236-L288 HydrophobicContact CZ-CD1 3.76Å; I284-L288 HydrophobicContact CG2-CD1 3.7Å; I284-L288 HydrophobicContact CG2-CG 4.3Å; I284-L288 VanDerWaalsContact O-CB 3.29Å; I284-L288 WeakPolarHBondContact O-CB 3.44Å; I284-L288 VanDerWaalsContact O-CG 3.24Å; I284-L288 WeakPolarHBondContact O-CG 3.21Å; I284-L288 PolarHBondContact O-N 3.49Å; L286-L288 VanDerWaalsContact C-N 3.33Å; L286-L288 PolarHBondContact O-N 3.21Å; L288-I290 VanDerWaalsContact C-N 3.27Å; L288-I290 PolarHBondContact O-N 3.23Å; L288-L291 PolarHBondContact O-N 2.91Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.47Å; L288-L292 PolarHBondContact O-N 3.37Å; L288-L315 HydrophobicContact CB-CD1 4.11Å |
| 289 | S | 92.8 | Very high | 88.2 | Confident | 5 Ų | 5 | 46.6 Ų | 46.6 | 4% | 0.035 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -62.4 | -36.5 | 175.7 | 73 | 0 | 0 | 0 | 0 | 112 | S285 L286 L292 C293 | S285-S289 WeakPolarHBondContact O-CB 3.49Å; S285-S289 PolarHBondContact O-N 2.82Å; S285-S289 PolarHBondContact O-OG 3.16Å; L286-S289 PolarHBondContact O-N 3.42Å; L286-S289 PolarHBondContact O-OG 2.81Å; S289-L292 PolarHBondContact O-N 3.32Å; S289-C293 WeakPolarHBondContact O-CB 3.19Å; S289-C293 PolarHBondContact O-N 2.83Å |
| 290 | I | 91.3 | Very high | 87.8 | Confident | 64 Ų | 64 | 41 Ų | 41 | 33% | 0.328 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -64.8 | -48.4 | 174.6 | -66.6 | 166.5 | 0 | 0 | 0 | 110.6 | L286 F287 L288 L292 F294 | L286-I290 HydrophobicContact CD1-CD1 4.47Å; L286-I290 HydrophobicContact CG-CD1 4.19Å; L286-I290 WeakPolarHBondContact O-CG1 3.24Å; L286-I290 PolarHBondContact O-N 3.05Å; F287-I290 PolarHBondContact O-N 3.5Å; L288-I290 VanDerWaalsContact C-N 3.27Å; L288-I290 PolarHBondContact O-N 3.23Å; I290-L292 PolarHBondContact O-N 3.22Å; I290-F294 HydrophobicContact CB-CD2 4.35Å; I290-F294 HydrophobicContact CG1-CD2 4.43Å; I290-F294 HydrophobicContact CG1-CE2 4.41Å; I290-F294 HydrophobicContact CG2-CD2 4.16Å; I290-F294 WeakPolarHBondContact O-CB 3.38Å; I290-F294 PolarHBondContact O-N 2.97Å |
| 291 | L | 90.6 | Very high | 87.8 | Confident | 35 Ų | 35 | 41.9 Ų | 41.9 | 18% | 0.183 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -59.1 | -34.8 | 178.1 | -74.3 | 177.9 | 0 | 0 | 0 | 113.1 | L34 V37 V41 F287 L288 L296 | L34-L291 HydrophobicContact CB-CD1 4.11Å; L34-L291 HydrophobicContact CD2-CD1 3.59Å; L34-L291 HydrophobicContact CG-CD1 4.44Å; V37-L291 HydrophobicContact CG1-CB 4.44Å; V41-L291 HydrophobicContact CG2-CD2 4.5Å; F287-L291 WeakPolarHBondContact O-CG 3.47Å; F287-L291 PolarHBondContact O-N 3.28Å; L288-L291 PolarHBondContact O-N 2.91Å; L291-L296 HydrophobicContact CB-CD1 4.44Å; L291-L296 HydrophobicContact CD2-CD1 3.52Å; L291-L296 HydrophobicContact CG-CD1 4.47Å |
| 292 | L | 90.8 | Very high | 87.6 | Confident | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -82.9 | -44.2 | -177.6 | -68.5 | 171.8 | 0 | 0 | 0 | 112.9 | V37 L228 L288 S289 I290 I302 L303 I311 L315 | V37-L292 HydrophobicContact CG1-CD2 3.96Å; V37-L292 HydrophobicContact CG1-CG 4.38Å; L228-L292 HydrophobicContact CD1-CD2 3.75Å; L288-L292 VanDerWaalsContact O-CG 3.3Å; L288-L292 WeakPolarHBondContact O-CG 3.47Å; L288-L292 PolarHBondContact O-N 3.37Å; S289-L292 PolarHBondContact O-N 3.32Å; I290-L292 PolarHBondContact O-N 3.22Å; L292-I302 HydrophobicContact CD2-CB 4.4Å; L292-I302 HydrophobicContact CD2-CD1 4.05Å; L292-I302 HydrophobicContact CD2-CG2 4Å; L292-I302 WeakPolarHBondContact O-CB 3.43Å; L292-I302 PolarHBondContact O-N 3.46Å; L292-L303 HydrophobicContact CB-CD1 4.17Å; L292-L303 HydrophobicContact CB-CG 4.48Å; L292-L303 PolarHBondContact O-N 3.01Å; L292-I311 HydrophobicContact CD1-CG2 4.42Å; L292-L315 HydrophobicContact CD1-CD1 4.37Å |
| 293 | C | 90.9 | Very high | 87.4 | Confident | 14 Ų | 14 | 40 Ų | 40 | 10% | 0.095 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -95.3 | -21.4 | -169.9 | -66.3 | 0 | 0 | 0 | 0 | 114.7 | S289 P301 P308 | S289-C293 WeakPolarHBondContact O-CB 3.19Å; S289-C293 PolarHBondContact O-N 2.83Å; C293-P301 VanDerWaalsContact O-CB 3.25Å; C293-P301 WeakPolarHBondContact O-CB 3.44Å; C293-P308 HydrophobicContact CB-CB 4.06Å; C293-P308 HydrophobicContact CB-CG 3.86Å |
| 294 | F | 88.8 | Confident | 86.8 | Confident | 106 Ų | 106 | 39.9 Ų | 39.9 | 47% | 0.465 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -97.1 | 147.8 | -177.7 | -72.8 | -97.1 | 0 | 0 | 0 | 112.7 | I290 L296 P308 | I290-F294 HydrophobicContact CB-CD2 4.35Å; I290-F294 HydrophobicContact CG1-CD2 4.43Å; I290-F294 HydrophobicContact CG1-CE2 4.41Å; I290-F294 HydrophobicContact CG2-CD2 4.16Å; I290-F294 WeakPolarHBondContact O-CB 3.38Å; I290-F294 PolarHBondContact O-N 2.97Å; F294-L296 PolarHBondContact O-N 2.98Å; F294-P308 HydrophobicContact CE2-CB 4.41Å; F294-P308 HydrophobicContact CE2-CG 4.38Å |
| 295 | P | 82.8 | Confident | 86.4 | Confident | 93 Ų | 93 | 43.7 Ų | 43.7 | 60% | 0.604 | 27% | 0.265 | S | S | * | . | trans | -73.7 | 93.5 | -179.1 | 29 | -33.7 | 0 | 0 | 0 | 111.2 | ||||
| 296 | L | 81.5 | Confident | 86.2 | Confident | 101 Ų | 101 | 44.1 Ų | 44.1 | 53% | 0.529 | 27% | 0.268 | S | S | . | . | trans | -97.8 | -14.2 | 174 | -71.2 | 154.4 | 0 | 0 | 0 | 113.2 | V41 L291 F294 | V41-L296 HydrophobicContact CG1-CB 3.95Å; L291-L296 HydrophobicContact CB-CD1 4.44Å; L291-L296 HydrophobicContact CD2-CD1 3.52Å; L291-L296 HydrophobicContact CG-CD1 4.47Å; F294-L296 PolarHBondContact O-N 2.98Å | ||
| 297 | S | 77.6 | Confident | 86.1 | Confident | 19 Ų | 19 | 43.2 Ų | 43.2 | 13% | 0.133 | 26% | 0.263 | C | S | . | . | S | Bend | trans | -113 | 152.3 | 178.2 | 87.9 | 0 | 0 | 0 | 0 | 110.4 | R44 N299 G300 | R44-S297 WeakPolarHBondContact CG-OG 3.47Å; S297-N299 PolarHBondContact O-N 3.41Å; S297-G300 PolarHBondContact O-N 3.19Å; S297-G300 VanDerWaalsContact O-N 3.11Å; S297-G300 PolarHBondContact OG-O 2.98Å |
| 298 | G | 74 | Confident | 86 | Confident | 84 Ų | 84 | 41.1 Ų | 41.1 | 87% | 0.866 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -20.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 299 | N | 79 | Confident | 86.1 | Confident | 64 Ų | 64 | 46.1 Ų | 46.1 | 34% | 0.342 | 29% | 0.285 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.9 | 12.9 | -177.7 | -61.2 | -13.6 | 0 | 0 | 0 | 113.2 | G45 A47 S297 | G45-N299 PolarHBondContact O-ND2 3.4Å; A47-N299 PolarHBondContact O-ND2 2.73Å; S297-N299 PolarHBondContact O-N 3.41Å |
| 300 | G | 79.3 | Confident | 86.1 | Confident | 12 Ų | 12 | 46.4 Ų | 46.4 | 12% | 0.124 | 29% | 0.286 | C | S | . | . | trans | 100.1 | -177.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | S297 | S297-G300 PolarHBondContact O-N 3.19Å; S297-G300 VanDerWaalsContact O-N 3.11Å; S297-G300 PolarHBondContact OG-O 2.98Å | ||
| 301 | P | 85.9 | Confident | 86.2 | Confident | 21 Ų | 21 | 43.6 Ų | 43.6 | 14% | 0.136 | 27% | 0.272 | C | S | . | . | trans | -70.3 | 165.4 | 177.7 | 31.3 | -35.7 | 0 | 0 | 0 | 112 | R44 C293 G304 | R44-P301 PolarHBondContact NE-O 3.39Å; R44-P301 PolarHBondContact NH2-O 3.47Å; C293-P301 VanDerWaalsContact O-CB 3.25Å; C293-P301 WeakPolarHBondContact O-CB 3.44Å; P301-G304 VanDerWaalsContact CG-CA 3.47Å | ||
| 302 | I | 86.2 | Confident | 86.4 | Confident | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.031 | 27% | 0.272 | C | S | . | . | S | Bend | trans | -73.7 | -52.3 | 174.2 | -67.9 | 165.9 | 0 | 0 | 0 | 109.7 | L40 V41 R44 F220 I224 L292 | L40-I302 HydrophobicContact CB-CD1 3.87Å; V41-I302 HydrophobicContact CG2-CD1 3.78Å; R44-I302 HydrophobicContact CB-CG1 4.23Å; R44-I302 HydrophobicContact CG-CG1 4.35Å; F220-I302 HydrophobicContact CE1-CB 4.27Å; F220-I302 HydrophobicContact CE1-CG1 3.98Å; F220-I302 HydrophobicContact CE1-CG2 3.85Å; F220-I302 HydrophobicContact CZ-CG1 4.43Å; I224-I302 HydrophobicContact CD1-CG2 3.94Å; I224-I302 WeakPolarHBondContact CD1-O 3.23Å; I224-I302 HydrophobicContact CG1-CG2 4Å; L292-I302 HydrophobicContact CD2-CB 4.4Å; L292-I302 HydrophobicContact CD2-CD1 4.05Å; L292-I302 HydrophobicContact CD2-CG2 4Å; L292-I302 WeakPolarHBondContact O-CB 3.43Å; L292-I302 PolarHBondContact O-N 3.46Å |
| 303 | L | 87.2 | Confident | 86.5 | Confident | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.01 | 29% | 0.285 | C | S | . | . | S | Bend | trans | -106.1 | 95.4 | 172.4 | -61.4 | 176.8 | 0 | 0 | 0 | 108.2 | I224 L292 I311 I387 E391 | I224-L303 HydrophobicContact CD1-CD2 4.39Å; I224-L303 HydrophobicContact CG2-CD2 4.28Å; L292-L303 HydrophobicContact CB-CD1 4.17Å; L292-L303 HydrophobicContact CB-CG 4.48Å; L292-L303 PolarHBondContact O-N 3.01Å; L303-I311 HydrophobicContact CD1-CD1 4.04Å; L303-I311 HydrophobicContact CD1-CG1 4.16Å; L303-I311 HydrophobicContact CD1-CG2 4.48Å; L303-I387 HydrophobicContact CD1-CG2 4.01Å; L303-I387 HydrophobicContact CD2-CG2 3.69Å; L303-E391 HydrophobicContact CD2-CG 4.31Å |
| 304 | G | 79.2 | Confident | 86.7 | Confident | 45 Ų | 45 | 45.4 Ų | 45.4 | 46% | 0.464 | 28% | 0.282 | S | S | . | . | S | Bend | trans | -87.8 | -22.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | P301 E391 | P301-G304 VanDerWaalsContact CG-CA 3.47Å; G304-E391 PolarHBondContact N-OE1 2.86Å |
| 305 | L | 82.6 | Confident | 86.9 | Confident | 79 Ų | 79 | 40.7 Ų | 40.7 | 41% | 0.414 | 26% | 0.262 | S | S | . | . | S | Bend | trans | -107.5 | -13.5 | -175 | -59.8 | 169.9 | 0 | 0 | 0 | 113 | E391 | L305-E391 PolarHBondContact N-OE1 2.83Š|
| 306 | S | 90.5 | Very high | 87.5 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.063 | 24% | 0.241 | C | C | . | . | S | Bend | trans | -85.7 | 143.1 | -176.4 | -63.5 | 0 | 0 | 0 | 0 | 112.8 | E391 V397 | S306-E391 PolarHBondContact N-OE2 2.91Å; S306-E391 PolarHBondContact OG-OE2 2.84Å; S306-V397 PolarHBondContact OG-N 2.97Å |
| 307 | N | 92 | Very high | 88.2 | Confident | 54 Ų | 54 | 34.8 Ų | 34.8 | 29% | 0.289 | 23% | 0.225 | S | C | . | . | trans | -73.3 | 123.9 | 179.1 | -172.6 | -48.2 | 0 | 0 | 0 | 111.3 | L309 L310 I311 V397 | N307-L309 VanDerWaalsContact C-N 3.26Å; N307-L309 PolarHBondContact O-N 2.84Å; N307-L309 WeakPolarHBondContact OD1-CB 3.47Å; N307-L309 PolarHBondContact OD1-N 3.06Å; N307-L310 HydrophobicContact CB-CB 4.44Å; N307-L310 HydrophobicContact CB-CD1 4.18Å; N307-L310 HydrophobicContact CB-CG 4.34Å; N307-L310 PolarHBondContact O-N 3.04Å; N307-I311 PolarHBondContact O-N 3.07Å; N307-V397 PolarHBondContact N-O 3.29Å | ||
| 308 | P | 91.5 | Very high | 89 | Confident | 48 Ų | 48 | 33.9 Ų | 33.9 | 31% | 0.312 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -57.1 | -34.9 | -178.4 | -22.8 | 30.3 | 0 | 0 | 0 | 114.3 | C293 F294 I311 F312 | C293-P308 HydrophobicContact CB-CB 4.06Å; C293-P308 HydrophobicContact CB-CG 3.86Å; F294-P308 HydrophobicContact CE2-CB 4.41Å; F294-P308 HydrophobicContact CE2-CG 4.38Å; P308-I311 PolarHBondContact O-N 3.36Å; P308-F312 WeakPolarHBondContact O-CB 3.47Å; P308-F312 PolarHBondContact O-N 2.95Å |
| 309 | L | 93 | Very high | 89.9 | Confident | 106 Ų | 106 | 29.9 Ų | 29.9 | 56% | 0.555 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -67.9 | -38.6 | -178.3 | -173.6 | 68.9 | 0 | 0 | 0 | 111.9 | N307 S313 | N307-L309 VanDerWaalsContact C-N 3.26Å; N307-L309 PolarHBondContact O-N 2.84Å; N307-L309 WeakPolarHBondContact OD1-CB 3.47Å; N307-L309 PolarHBondContact OD1-N 3.06Å; L309-S313 WeakPolarHBondContact O-CB 3.38Å; L309-S313 PolarHBondContact O-N 3.46Å; L309-S313 PolarHBondContact O-OG 3.27Å |
| 310 | L | 92.8 | Very high | 90.6 | Very high | 11 Ų | 11 | 28.7 Ų | 28.7 | 6% | 0.058 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -71 | -36.7 | 177.6 | -71.8 | 176.1 | 0 | 0 | 0 | 111.8 | N307 S313 S314 V397 F399 Y402 | N307-L310 HydrophobicContact CB-CB 4.44Å; N307-L310 HydrophobicContact CB-CD1 4.18Å; N307-L310 HydrophobicContact CB-CG 4.34Å; N307-L310 PolarHBondContact O-N 3.04Å; L310-S313 PolarHBondContact O-OG 2.97Å; L310-S314 WeakPolarHBondContact O-CB 3.49Å; L310-S314 PolarHBondContact O-N 3.46Å; L310-S314 PolarHBondContact O-OG 3.09Å; L310-V397 HydrophobicContact CB-CG1 4.3Å; L310-V397 HydrophobicContact CD1-CG1 4.13Å; L310-F399 HydrophobicContact CD1-CD1 4.2Å; L310-F399 HydrophobicContact CD1-CD2 4.35Å; L310-F399 HydrophobicContact CD1-CE1 4.31Å; L310-F399 HydrophobicContact CD1-CE2 4.45Å; L310-F399 HydrophobicContact CD1-CG 4.23Å; L310-F399 HydrophobicContact CD1-CZ 4.43Å; L310-F399 HydrophobicContact CD2-CD1 4.1Å; L310-F399 HydrophobicContact CD2-CE1 3.64Å; L310-F399 HydrophobicContact CD2-CZ 4.05Å; L310-F399 HydrophobicContact CG-CE1 4.13Å; L310-F399 HydrophobicContact CG-CE2 4.48Å; L310-F399 HydrophobicContact CG-CZ 4.11Å; L310-Y402 HydrophobicContact CD1-CD2 4.45Å; L310-Y402 HydrophobicContact CD2-CD2 4.24Å; L310-Y402 HydrophobicContact CD2-CE2 4.3Å |
| 311 | I | 93.5 | Very high | 91.3 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 2% | 0.021 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -67.2 | -46.4 | 174.4 | -61.4 | -58.3 | 0 | 0 | 0 | 110.2 | L292 L303 N307 P308 S313 S314 L315 I387 | L292-I311 HydrophobicContact CD1-CG2 4.42Å; L303-I311 HydrophobicContact CD1-CD1 4.04Å; L303-I311 HydrophobicContact CD1-CG1 4.16Å; L303-I311 HydrophobicContact CD1-CG2 4.48Å; N307-I311 PolarHBondContact O-N 3.07Å; P308-I311 PolarHBondContact O-N 3.36Å; I311-S313 PolarHBondContact O-N 3Å; I311-S314 PolarHBondContact O-N 2.77Å; I311-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CG 4.36Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 VanDerWaalsContact O-CG 3.3Å; I311-L315 WeakPolarHBondContact O-CG 3.22Å; I311-L315 PolarHBondContact O-N 3.45Å; I311-I387 HydrophobicContact CD1-CD1 3.96Å; I311-I387 HydrophobicContact CD1-CG1 4.27Å |
| 312 | F | 95.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 27.1 Ų | 27.1 | 19% | 0.193 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.1 | -49.1 | 175 | 166.8 | -104.8 | 0 | 0 | 0 | 112.2 | T282 L286 P308 S314 L315 L316 | T282-F312 HydrophobicContact CG2-CE2 4.3Å; T282-F312 HydrophobicContact CG2-CZ 4.02Å; L286-F312 HydrophobicContact CB-CD2 4.21Å; L286-F312 HydrophobicContact CB-CE2 3.94Å; L286-F312 HydrophobicContact CD1-CD2 4.41Å; L286-F312 HydrophobicContact CD1-CE2 4.45Å; P308-F312 WeakPolarHBondContact O-CB 3.47Å; P308-F312 PolarHBondContact O-N 2.95Å; F312-S314 PolarHBondContact O-N 3.31Å; F312-L315 PolarHBondContact O-N 3.07Å; F312-L316 HydrophobicContact CE1-CD2 4.39Å; F312-L316 HydrophobicContact CZ-CD2 4.13Å; F312-L316 WeakPolarHBondContact O-CB 3.35Å; F312-L316 PolarHBondContact O-N 3.45Å |
| 313 | S | 93.8 | Very high | 91.8 | Very high | 42 Ų | 42 | 27 Ų | 27 | 29% | 0.294 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -64.8 | -40.5 | -179.1 | 65.4 | 0 | 0 | 0 | 0 | 112.2 | L309 L310 I311 L316 L317 | L309-S313 WeakPolarHBondContact O-CB 3.38Å; L309-S313 PolarHBondContact O-N 3.46Å; L309-S313 PolarHBondContact O-OG 3.27Å; L310-S313 PolarHBondContact O-OG 2.97Å; I311-S313 PolarHBondContact O-N 3Å; S313-L316 PolarHBondContact O-N 3.4Å; S313-L317 WeakPolarHBondContact O-CG 3.29Å; S313-L317 PolarHBondContact O-N 3.08Å |
| 314 | S | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 26.9 Ų | 26.9 | 3% | 0.028 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -65.5 | -42.4 | 178 | -53 | 0 | 0 | 0 | 0 | 112 | L310 I311 F312 L317 Y318 | L310-S314 WeakPolarHBondContact O-CB 3.49Å; L310-S314 PolarHBondContact O-N 3.46Å; L310-S314 PolarHBondContact O-OG 3.09Å; I311-S314 PolarHBondContact O-N 2.77Å; F312-S314 PolarHBondContact O-N 3.31Å; S314-L317 PolarHBondContact O-N 3.47Å; S314-Y318 PolarHBondContact O-N 3.34Å; S314-Y318 VanDerWaalsContact O-N 3.08Å |
| 315 | L | 94.1 | Very high | 92.8 | Very high | 6 Ų | 6 | 25.8 Ų | 25.8 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.2 | -38.3 | 175.8 | -70.2 | 176.4 | 0 | 0 | 0 | 112.3 | L232 F236 L288 L292 I311 F312 Y318 G319 M380 | L232-L315 HydrophobicContact CD1-CD2 4.17Å; L232-L315 HydrophobicContact CD2-CD2 4.4Å; F236-L315 HydrophobicContact CE2-CD2 4.26Å; F236-L315 HydrophobicContact CZ-CB 4.43Å; L288-L315 HydrophobicContact CB-CD1 4.11Å; L292-L315 HydrophobicContact CD1-CD1 4.37Å; I311-L315 HydrophobicContact CG2-CD1 3.95Å; I311-L315 HydrophobicContact CG2-CG 4.36Å; I311-L315 WeakPolarHBondContact O-CB 3.4Å; I311-L315 VanDerWaalsContact O-CG 3.3Å; I311-L315 WeakPolarHBondContact O-CG 3.22Å; I311-L315 PolarHBondContact O-N 3.45Å; F312-L315 PolarHBondContact O-N 3.07Å; L315-Y318 PolarHBondContact O-N 2.9Å; L315-G319 PolarHBondContact O-N 3.34Å; L315-M380 HydrophobicContact CD2-CE 3.5Å; L315-M380 VanDerWaalsContact CD2-CE 3.5Å; L315-M380 HydrophobicContact CD2-SD 4.46Å |
| 316 | L | 94.8 | Very high | 93.1 | Very high | 32 Ų | 32 | 22 Ų | 22 | 17% | 0.168 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.7 | -45.3 | 176.7 | -179.2 | 61.7 | 0 | 0 | 0 | 111.4 | L278 F312 S313 Y318 G319 I320 | L278-L316 HydrophobicContact CD1-CD1 4.31Å; F312-L316 HydrophobicContact CE1-CD2 4.39Å; F312-L316 HydrophobicContact CZ-CD2 4.13Å; F312-L316 WeakPolarHBondContact O-CB 3.35Å; F312-L316 PolarHBondContact O-N 3.45Å; S313-L316 PolarHBondContact O-N 3.4Å; L316-Y318 PolarHBondContact O-N 3.06Å; L316-G319 PolarHBondContact O-N 3.34Å; L316-I320 HydrophobicContact CD1-CD1 4.47Å; L316-I320 HydrophobicContact CG-CD1 4.18Å; L316-I320 WeakPolarHBondContact O-CG1 3.27Å; L316-I320 PolarHBondContact O-N 3.46Å |
| 317 | L | 95.2 | Very high | 93.1 | Very high | 39 Ų | 39 | 21.6 Ų | 21.6 | 20% | 0.204 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 176.7 | -72.4 | 176.7 | 0 | 0 | 0 | 111.8 | S313 S314 I320 S321 C418 F421 I422 | S313-L317 WeakPolarHBondContact O-CG 3.29Å; S313-L317 PolarHBondContact O-N 3.08Å; S314-L317 PolarHBondContact O-N 3.47Å; L317-I320 PolarHBondContact O-N 2.94Å; L317-S321 PolarHBondContact O-N 3.31Å; L317-C418 HydrophobicContact CD1-CB 3.88Å; L317-F421 HydrophobicContact CB-CB 4.24Å; L317-F421 HydrophobicContact CB-CD2 4.4Å; L317-I422 HydrophobicContact CD1-CD1 4.3Å; L317-I422 HydrophobicContact CD1-CG1 4.35Å; L317-I422 HydrophobicContact CD2-CD1 4.18Å; L317-I422 HydrophobicContact CD2-CG1 3.72Å |
| 318 | Y | 95 | Very high | 93 | Very high | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -60.6 | -45.3 | 172.4 | 169.8 | -114.3 | 0 | 0 | 0 | 111.9 | F236 S314 L315 L316 I320 S321 I322 P376 M380 F421 | F236-Y318 HydrophobicContact CB-CE1 3.74Å; F236-Y318 AromaticContact CD2-CD1 3.87Å; F236-Y318 HydrophobicContact CD2-CD1 3.87Å; F236-Y318 AromaticContact CD2-CE1 3.59Å; F236-Y318 HydrophobicContact CD2-CE1 3.59Å; F236-Y318 HydrophobicContact CE2-CD1 4.18Å; F236-Y318 HydrophobicContact CE2-CE1 4.34Å; F236-Y318 HydrophobicContact CG-CD1 4.1Å; F236-Y318 AromaticContact CG-CE1 3.73Å; F236-Y318 HydrophobicContact CG-CE1 3.73Å; S314-Y318 PolarHBondContact O-N 3.34Å; S314-Y318 VanDerWaalsContact O-N 3.08Å; L315-Y318 PolarHBondContact O-N 2.9Å; L316-Y318 PolarHBondContact O-N 3.06Å; Y318-I320 VanDerWaalsContact C-N 3.28Å; Y318-I320 PolarHBondContact O-N 3.33Å; Y318-S321 PolarHBondContact O-N 2.95Å; Y318-S321 VanDerWaalsContact O-N 3.13Å; Y318-I322 HydrophobicContact CE2-CB 4.27Å; Y318-I322 WeakPolarHBondContact O-CG2 3.37Å; Y318-I322 PolarHBondContact O-N 3.17Å; Y318-I322 WeakPolarHBondContact OH-CD1 3.29Å; Y318-P376 HydrophobicContact CD2-CB 4.43Å; Y318-P376 HydrophobicContact CE2-CB 4.07Å; Y318-P376 VanDerWaalsContact CE2-O 3.27Å; Y318-P376 WeakPolarHBondContact CE2-O 3.49Å; Y318-M380 HydrophobicContact CD1-CB 4.39Å; Y318-M380 HydrophobicContact CD1-CG 4.03Å; Y318-M380 HydrophobicContact CD1-SD 3.92Å; Y318-M380 HydrophobicContact CD2-CB 3.72Å; Y318-M380 HydrophobicContact CD2-CG 4.25Å; Y318-M380 HydrophobicContact CD2-SD 4.47Å; Y318-M380 HydrophobicContact CE1-CB 4.19Å; Y318-M380 HydrophobicContact CE1-CG 3.84Å; Y318-M380 HydrophobicContact CE1-SD 4.32Å; Y318-M380 HydrophobicContact CE2-CB 3.51Å; Y318-M380 HydrophobicContact CE2-CG 4.11Å; Y318-M380 HydrophobicContact CG-CB 4.16Å; Y318-M380 HydrophobicContact CG-CG 4.21Å; Y318-M380 HydrophobicContact CG-SD 3.97Å; Y318-F421 HydrophobicContact CD2-CE1 4.11Å; Y318-F421 HydrophobicContact CD2-CZ 4.18Å |
| 319 | G | 93 | Very high | 92.9 | Very high | 0 Ų | 0 | 18.2 Ų | 18.2 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -56.1 | -40.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | L315 L316 I322 F323 | L315-G319 PolarHBondContact O-N 3.34Å; L316-G319 PolarHBondContact O-N 3.34Å; G319-I322 WeakPolarHBondContact O-CG2 3.38Å; G319-F323 WeakPolarHBondContact O-CB 3.42Å; G319-F323 PolarHBondContact O-N 3.28Å |
| 320 | I | 93.3 | Very high | 92.8 | Very high | 38 Ų | 38 | 13.2 Ų | 13.2 | 20% | 0.195 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -68.7 | -43.3 | 175.6 | -63.2 | 162 | 0 | 0 | 0 | 111 | L278 L316 L317 Y318 F323 T324 | L278-I320 HydrophobicContact CD1-CD1 3.65Å; L278-I320 HydrophobicContact CD1-CG1 3.66Å; L316-I320 HydrophobicContact CD1-CD1 4.47Å; L316-I320 HydrophobicContact CG-CD1 4.18Å; L316-I320 WeakPolarHBondContact O-CG1 3.27Å; L316-I320 PolarHBondContact O-N 3.46Å; L317-I320 PolarHBondContact O-N 2.94Å; Y318-I320 VanDerWaalsContact C-N 3.28Å; Y318-I320 PolarHBondContact O-N 3.33Å; I320-F323 PolarHBondContact O-N 2.92Å; I320-T324 HydrophobicContact CG2-CG2 4.3Å; I320-T324 WeakPolarHBondContact O-CB 3.45Å; I320-T324 WeakPolarHBondContact O-CG2 3.24Å; I320-T324 PolarHBondContact O-N 2.88Å; I320-T324 PolarHBondContact O-OG1 3.49Å |
| 321 | S | 94.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -63.3 | -50.7 | 179.9 | 177.6 | 0 | 0 | 0 | 0 | 112.4 | L317 Y318 F323 T324 F325 P376 D424 S425 | L317-S321 PolarHBondContact O-N 3.31Å; Y318-S321 PolarHBondContact O-N 2.95Å; Y318-S321 VanDerWaalsContact O-N 3.13Å; S321-F323 VanDerWaalsContact C-N 3.26Å; S321-F323 PolarHBondContact O-N 3.41Å; S321-T324 PolarHBondContact O-N 3.43Å; S321-T324 PolarHBondContact O-OG1 2.94Å; S321-F325 WeakPolarHBondContact O-CB 3.43Å; S321-F325 PolarHBondContact O-N 3.27Å; S321-P376 VanDerWaalsContact OG-CG 3.28Å; S321-P376 WeakPolarHBondContact OG-CG 3.22Å; S321-D424 WeakPolarHBondContact OG-CB 3.3Å; S321-S425 VanDerWaalsContact CA-OG 3.31Å; S321-S425 WeakPolarHBondContact CA-OG 3.49Å; S321-S425 PolarHBondContact N-OG 3.45Å |
| 322 | I | 92.8 | Very high | 92.1 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64.3 | -33.4 | 178.7 | -169.1 | 165.6 | 0 | 0 | 0 | 112.5 | F236 I237 T240 Y318 G319 F325 G326 L347 P376 | F236-I322 HydrophobicContact CB-CD1 4.49Å; F236-I322 HydrophobicContact CB-CG2 4.33Å; I237-I322 HydrophobicContact CG1-CD1 4.29Å; T240-I322 HydrophobicContact CG2-CG1 4.48Å; T240-I322 WeakPolarHBondContact CG2-O 3.43Å; Y318-I322 HydrophobicContact CE2-CB 4.27Å; Y318-I322 WeakPolarHBondContact O-CG2 3.37Å; Y318-I322 PolarHBondContact O-N 3.17Å; Y318-I322 WeakPolarHBondContact OH-CD1 3.29Å; G319-I322 WeakPolarHBondContact O-CG2 3.38Å; I322-F325 WeakPolarHBondContact O-CB 3.42Å; I322-G326 PolarHBondContact O-N 3.1Å; I322-L347 HydrophobicContact CD1-CD2 4.34Å; I322-L347 HydrophobicContact CG1-CD2 4.17Å; I322-P376 HydrophobicContact CB-CB 4.39Å |
| 323 | F | 91 | Very high | 91.5 | Very high | 3 Ų | 3 | 17.4 Ų | 17.4 | 1% | 0.013 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -71.8 | -44.7 | 179 | 169.3 | -111.5 | 0 | 0 | 0 | 112.9 | C243 L274 N277 F281 G319 I320 S321 F325 G326 F327 | C243-F323 HydrophobicContact CB-CD2 4.17Å; C243-F323 HydrophobicContact CB-CE2 3.6Å; L274-F323 HydrophobicContact CD1-CD1 4.07Å; L274-F323 HydrophobicContact CD1-CE1 3.7Å; N277-F323 HydrophobicContact CB-CD2 4.37Å; N277-F323 HydrophobicContact CB-CE1 3.82Å; N277-F323 HydrophobicContact CB-CE2 3.53Å; N277-F323 HydrophobicContact CB-CZ 3.16Å; N277-F323 VanDerWaalsContact ND2-CZ 3.29Å; N277-F323 WeakPolarHBondContact ND2-CZ 3.32Å; F281-F323 HydrophobicContact CD2-CB 4.4Å; F281-F323 HydrophobicContact CD2-CD2 4.48Å; F281-F323 HydrophobicContact CD2-CG 4.33Å; F281-F323 HydrophobicContact CE2-CB 3.79Å; F281-F323 AromaticContact CE2-CD2 3.54Å; F281-F323 HydrophobicContact CE2-CD2 3.54Å; F281-F323 HydrophobicContact CE2-CE2 4.18Å; F281-F323 AromaticContact CE2-CG 3.7Å; F281-F323 HydrophobicContact CE2-CG 3.7Å; F281-F323 HydrophobicContact CZ-CB 3.87Å; F281-F323 HydrophobicContact CZ-CD2 4.06Å; F281-F323 HydrophobicContact CZ-CG 4.21Å; G319-F323 WeakPolarHBondContact O-CB 3.42Å; G319-F323 PolarHBondContact O-N 3.28Å; I320-F323 PolarHBondContact O-N 2.92Å; S321-F323 VanDerWaalsContact C-N 3.26Å; S321-F323 PolarHBondContact O-N 3.41Å; F323-F325 VanDerWaalsContact C-N 3.28Å; F323-F325 PolarHBondContact O-N 3.38Å; F323-G326 WeakPolarHBondContact O-CA 3.41Å; F323-G326 PolarHBondContact O-N 3.12Å; F323-F327 HydrophobicContact CD1-CZ 4.49Å; F323-F327 HydrophobicContact CD2-CD1 4.37Å; F323-F327 HydrophobicContact CD2-CE1 4.04Å; F323-F327 HydrophobicContact CE1-CD1 4.45Å; F323-F327 HydrophobicContact CE1-CD2 4.38Å; F323-F327 AromaticContact CE1-CE1 3.8Å; F323-F327 HydrophobicContact CE1-CE1 3.8Å; F323-F327 AromaticContact CE1-CE2 3.72Å; F323-F327 HydrophobicContact CE1-CE2 3.72Å; F323-F327 AromaticContact CE1-CZ 3.43Å; F323-F327 HydrophobicContact CE1-CZ 3.43Å; F323-F327 VanDerWaalsContact CE1-CZ 3.43Å; F323-F327 AromaticContact CE2-CD1 3.89Å; F323-F327 HydrophobicContact CE2-CD1 3.89Å; F323-F327 AromaticContact CE2-CE1 3.15Å; F323-F327 HydrophobicContact CE2-CE1 3.15Å; F323-F327 AromaticContact CE2-CZ 3.6Å; F323-F327 HydrophobicContact CE2-CZ 3.6Å; F323-F327 AromaticContact CZ-CD1 3.96Å; F323-F327 HydrophobicContact CZ-CD1 3.96Å; F323-F327 HydrophobicContact CZ-CD2 4.5Å; F323-F327 AromaticContact CZ-CE1 3.03Å; F323-F327 HydrophobicContact CZ-CE1 3.03Å; F323-F327 AromaticContact CZ-CE2 3.7Å; F323-F327 HydrophobicContact CZ-CE2 3.7Å; F323-F327 AromaticContact CZ-CZ 2.9Å; F323-F327 HydrophobicContact CZ-CZ 2.9Å; F323-F327 PolarHBondContact O-N 3.13Å |
| 324 | T | 92.6 | Very high | 90.6 | Very high | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.3 | -32.9 | 174.4 | 51.8 | 0 | 0 | 0 | 0 | 111.7 | L274 I320 S321 F327 A328 S425 L429 | L274-T324 HydrophobicContact CD1-CG2 3.97Å; I320-T324 HydrophobicContact CG2-CG2 4.3Å; I320-T324 WeakPolarHBondContact O-CB 3.45Å; I320-T324 WeakPolarHBondContact O-CG2 3.24Å; I320-T324 PolarHBondContact O-N 2.88Å; I320-T324 PolarHBondContact O-OG1 3.49Å; S321-T324 PolarHBondContact O-N 3.43Å; S321-T324 PolarHBondContact O-OG1 2.94Å; T324-F327 WeakPolarHBondContact O-CB 3.02Å; T324-F327 PolarHBondContact O-N 3.44Å; T324-A328 PolarHBondContact O-N 3.32Å; T324-S425 WeakPolarHBondContact OG1-CA 3.43Å; T324-L429 HydrophobicContact CG2-CD1 4.15Å; T324-L429 HydrophobicContact CG2-CD2 4.03Å; T324-L429 HydrophobicContact CG2-CG 3.78Å |
| 325 | F | 93.1 | Very high | 89.7 | Confident | 22 Ų | 22 | 20.5 Ų | 20.5 | 10% | 0.096 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.7 | -43.4 | 167.8 | -178.6 | -112.3 | 0 | 0 | 0 | 112.3 | S321 I322 F323 F327 A328 L329 V346 L347 I350 P376 F428 | S321-F325 WeakPolarHBondContact O-CB 3.43Å; S321-F325 PolarHBondContact O-N 3.27Å; I322-F325 WeakPolarHBondContact O-CB 3.42Å; F323-F325 VanDerWaalsContact C-N 3.28Å; F323-F325 PolarHBondContact O-N 3.38Å; F325-F327 VanDerWaalsContact C-N 3.32Å; F325-F327 PolarHBondContact O-N 3.28Å; F325-A328 PolarHBondContact O-N 3.15Å; F325-L329 HydrophobicContact CD1-CD1 4.08Å; F325-L329 HydrophobicContact CE1-CD1 3.54Å; F325-L329 HydrophobicContact CE1-CG 4.34Å; F325-L329 HydrophobicContact CE2-CG 4.49Å; F325-L329 HydrophobicContact CZ-CD1 3.79Å; F325-L329 HydrophobicContact CZ-CD2 4.42Å; F325-L329 HydrophobicContact CZ-CG 4.21Å; F325-L329 PolarHBondContact O-N 3.44Å; F325-L329 VanDerWaalsContact O-N 3.11Å; F325-V346 HydrophobicContact CE1-CG1 4.38Å; F325-V346 HydrophobicContact CZ-CG1 4.3Å; F325-L347 HydrophobicContact CD1-CD2 3.74Å; F325-L347 HydrophobicContact CE1-CD2 3.84Å; F325-I350 HydrophobicContact CE1-CD1 3.61Å; F325-I350 HydrophobicContact CZ-CD1 3.47Å; F325-I350 VanDerWaalsContact CZ-CD1 3.47Å; F325-P376 HydrophobicContact CB-CG 4.36Å; F325-F428 HydrophobicContact CB-CD2 3.86Å; F325-F428 HydrophobicContact CB-CE2 3.93Å; F325-F428 HydrophobicContact CB-CG 4.34Å; F325-F428 HydrophobicContact CB-CZ 4.47Å; F325-F428 HydrophobicContact CD2-CD1 4.02Å; F325-F428 HydrophobicContact CD2-CD2 4.25Å; F325-F428 AromaticContact CD2-CE1 3.6Å; F325-F428 HydrophobicContact CD2-CE1 3.6Å; F325-F428 AromaticContact CD2-CE2 3.84Å; F325-F428 HydrophobicContact CD2-CE2 3.84Å; F325-F428 HydrophobicContact CD2-CG 4.35Å; F325-F428 AromaticContact CD2-CZ 3.51Å; F325-F428 HydrophobicContact CD2-CZ 3.51Å; F325-F428 HydrophobicContact CE2-CE1 4.15Å; F325-F428 HydrophobicContact CE2-CZ 4.17Å; F325-F428 HydrophobicContact CG-CE2 4.28Å; F325-F428 HydrophobicContact CG-CZ 4.37Å |
| 326 | G | 89.5 | Confident | 88.7 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -59.3 | -38.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | I322 F323 L329 S330 | I322-G326 PolarHBondContact O-N 3.1Å; F323-G326 WeakPolarHBondContact O-CA 3.41Å; F323-G326 PolarHBondContact O-N 3.12Å; G326-L329 PolarHBondContact O-N 3.13Å; G326-S330 PolarHBondContact O-N 2.76Å |
| 327 | F | 90.1 | Very high | 87.6 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -61.1 | -49.1 | 173.4 | -79.3 | 6.8 | 0 | 0 | 0 | 112.2 | I247 W270 W273 L274 F323 T324 F325 L329 S330 T331 T432 | I247-F327 HydrophobicContact CD1-CD1 3.57Å; I247-F327 HydrophobicContact CD1-CE1 3.15Å; I247-F327 HydrophobicContact CD1-CG 4.49Å; I247-F327 HydrophobicContact CD1-CZ 3.82Å; W270-F327 HydrophobicContact CE3-CD2 4.19Å; W270-F327 HydrophobicContact CE3-CE2 4.44Å; W270-F327 HydrophobicContact CZ3-CG 4.46Å; W273-F327 HydrophobicContact CB-CE2 4.3Å; W273-F327 HydrophobicContact CB-CZ 3.71Å; L274-F327 HydrophobicContact CB-CE2 4.31Å; F323-F327 HydrophobicContact CD1-CZ 4.49Å; F323-F327 HydrophobicContact CD2-CD1 4.37Å; F323-F327 HydrophobicContact CD2-CE1 4.04Å; F323-F327 HydrophobicContact CE1-CD1 4.45Å; F323-F327 HydrophobicContact CE1-CD2 4.38Å; F323-F327 AromaticContact CE1-CE1 3.8Å; F323-F327 HydrophobicContact CE1-CE1 3.8Å; F323-F327 AromaticContact CE1-CE2 3.72Å; F323-F327 HydrophobicContact CE1-CE2 3.72Å; F323-F327 AromaticContact CE1-CZ 3.43Å; F323-F327 HydrophobicContact CE1-CZ 3.43Å; F323-F327 VanDerWaalsContact CE1-CZ 3.43Å; F323-F327 AromaticContact CE2-CD1 3.89Å; F323-F327 HydrophobicContact CE2-CD1 3.89Å; F323-F327 AromaticContact CE2-CE1 3.15Å; F323-F327 HydrophobicContact CE2-CE1 3.15Å; F323-F327 AromaticContact CE2-CZ 3.6Å; F323-F327 HydrophobicContact CE2-CZ 3.6Å; F323-F327 AromaticContact CZ-CD1 3.96Å; F323-F327 HydrophobicContact CZ-CD1 3.96Å; F323-F327 HydrophobicContact CZ-CD2 4.5Å; F323-F327 AromaticContact CZ-CE1 3.03Å; F323-F327 HydrophobicContact CZ-CE1 3.03Å; F323-F327 AromaticContact CZ-CE2 3.7Å; F323-F327 HydrophobicContact CZ-CE2 3.7Å; F323-F327 AromaticContact CZ-CZ 2.9Å; F323-F327 HydrophobicContact CZ-CZ 2.9Å; F323-F327 PolarHBondContact O-N 3.13Å; T324-F327 WeakPolarHBondContact O-CB 3.02Å; T324-F327 PolarHBondContact O-N 3.44Å; F325-F327 VanDerWaalsContact C-N 3.32Å; F325-F327 PolarHBondContact O-N 3.28Å; F327-L329 VanDerWaalsContact C-N 3.29Å; F327-L329 PolarHBondContact O-N 2.85Å; F327-S330 WeakPolarHBondContact O-CB 3.43Å; F327-S330 PolarHBondContact O-N 3.37Å; F327-S330 PolarHBondContact O-OG 3.25Å; F327-T331 PolarHBondContact O-N 2.99Å; F327-T432 HydrophobicContact CB-CG2 4.25Å |
| 328 | A | 90.4 | Very high | 86.5 | Confident | 5 Ų | 5 | 23.7 Ų | 23.7 | 4% | 0.041 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | T324 F325 S330 T331 F428 L431 T432 | T324-A328 PolarHBondContact O-N 3.32Å; F325-A328 PolarHBondContact O-N 3.15Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.42Å; A328-T331 PolarHBondContact O-N 3.45Å; A328-T331 PolarHBondContact O-OG1 3.46Å; A328-F428 HydrophobicContact CB-CB 4.4Å; A328-F428 HydrophobicContact CB-CD1 4.47Å; A328-L431 HydrophobicContact CB-CD2 4.15Å; A328-T432 VanDerWaalsContact CA-OG1 3.31Å; A328-T432 WeakPolarHBondContact CA-OG1 3.44Å; A328-T432 PolarHBondContact N-OG1 2.9Å |
| 329 | L | 89.6 | Confident | 85.7 | Confident | 26 Ų | 26 | 23.7 Ų | 23.7 | 14% | 0.136 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.1 | -33.5 | 176.9 | -66.4 | 175.5 | 0 | 0 | 0 | 113.2 | F325 G326 F327 T331 L332 F333 V343 V346 | F325-L329 HydrophobicContact CD1-CD1 4.08Å; F325-L329 HydrophobicContact CE1-CD1 3.54Å; F325-L329 HydrophobicContact CE1-CG 4.34Å; F325-L329 HydrophobicContact CE2-CG 4.49Å; F325-L329 HydrophobicContact CZ-CD1 3.79Å; F325-L329 HydrophobicContact CZ-CD2 4.42Å; F325-L329 HydrophobicContact CZ-CG 4.21Å; F325-L329 PolarHBondContact O-N 3.44Å; F325-L329 VanDerWaalsContact O-N 3.11Å; G326-L329 PolarHBondContact O-N 3.13Å; F327-L329 VanDerWaalsContact C-N 3.29Å; F327-L329 PolarHBondContact O-N 2.85Å; L329-T331 PolarHBondContact O-N 3.39Å; L329-L332 HydrophobicContact CD2-CD1 4.37Å; L329-L332 PolarHBondContact O-N 2.87Å; L329-F333 VanDerWaalsContact O-CD2 3.26Å; L329-F333 WeakPolarHBondContact O-CD2 3.44Å; L329-V343 HydrophobicContact CB-CG2 3.84Å; L329-V343 HydrophobicContact CD1-CG1 4.12Å; L329-V343 HydrophobicContact CD1-CG2 4.33Å; L329-V346 HydrophobicContact CD1-CB 4.42Å; L329-V346 HydrophobicContact CD1-CG1 3.92Å |
| 330 | S | 89.9 | Confident | 85 | Confident | 1 Ų | 1 | 25 Ų | 25 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.3 | -29.8 | 178.6 | 82.1 | 0 | 0 | 0 | 0 | 113.1 | L248 G326 F327 A328 L332 F333 | L248-S330 WeakPolarHBondContact CD2-O 3.31Å; G326-S330 PolarHBondContact O-N 2.76Å; F327-S330 WeakPolarHBondContact O-CB 3.43Å; F327-S330 PolarHBondContact O-N 3.37Å; F327-S330 PolarHBondContact O-OG 3.25Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 3.42Å; S330-L332 PolarHBondContact O-N 3.27Å; S330-F333 PolarHBondContact O-N 3.44Å |
| 331 | T | 86.9 | Confident | 83.9 | Confident | 9 Ų | 9 | 24.4 Ų | 24.4 | 6% | 0.055 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.9 | -27.2 | -179.5 | 65.6 | 0 | 0 | 0 | 0 | 112.7 | K251 W270 F327 A328 L329 F333 T432 I435 | K251-T331 PolarHBondContact NZ-O 3Å; W270-T331 HydrophobicContact CH2-CG2 3.72Å; W270-T331 HydrophobicContact CZ2-CG2 3.76Å; F327-T331 PolarHBondContact O-N 2.99Å; A328-T331 PolarHBondContact O-N 3.45Å; A328-T331 PolarHBondContact O-OG1 3.46Å; L329-T331 PolarHBondContact O-N 3.39Å; T331-F333 VanDerWaalsContact C-N 3.33Å; T331-F333 PolarHBondContact O-N 3.48Å; T331-T432 HydrophobicContact CG2-CG2 3.78Å; T331-I435 VanDerWaalsContact OG1-CG2 3.26Å; T331-I435 WeakPolarHBondContact OG1-CG2 3.29Å |
| 332 | L | 85.3 | Confident | 83 | Confident | 84 Ų | 84 | 28.5 Ų | 28.5 | 44% | 0.44 | 16% | 0.155 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76 | -17.2 | -177.9 | -59.4 | 174.5 | 0 | 0 | 0 | 113.8 | L329 S330 I435 | L329-L332 HydrophobicContact CD2-CD1 4.37Å; L329-L332 PolarHBondContact O-N 2.87Å; S330-L332 PolarHBondContact O-N 3.27Å; L332-I435 HydrophobicContact CD2-CD1 4.29Å; L332-I435 HydrophobicContact CD2-CG2 4.16Å |
| 333 | F | 83.1 | Confident | 82.5 | Confident | 53 Ų | 53 | 28.5 Ų | 28.5 | 23% | 0.232 | 16% | 0.155 | C | C | . | . | trans | -116.1 | 150.2 | -173.8 | -55.6 | -70.7 | 0 | 0 | 0 | 112.4 | L248 K251 L329 S330 T331 L342 V343 | L248-F333 HydrophobicContact CD2-CB 3.84Å; L248-F333 WeakPolarHBondContact CD2-O 3.5Å; K251-F333 WeakPolarHBondContact CD-O 3.44Å; K251-F333 PolarHBondContact NZ-O 2.87Å; L329-F333 VanDerWaalsContact O-CD2 3.26Å; L329-F333 WeakPolarHBondContact O-CD2 3.44Å; S330-F333 PolarHBondContact O-N 3.44Å; T331-F333 VanDerWaalsContact C-N 3.33Å; T331-F333 PolarHBondContact O-N 3.48Å; F333-L342 HydrophobicContact CD1-CD1 4.27Å; F333-L342 HydrophobicContact CE1-CB 4.45Å; F333-L342 HydrophobicContact CE1-CD1 3.55Å; F333-L342 HydrophobicContact CE2-CB 4.48Å; F333-L342 HydrophobicContact CZ-CB 4.01Å; F333-L342 HydrophobicContact CZ-CD1 3.94Å; F333-V343 HydrophobicContact CD2-CG2 4.41Å; F333-V343 HydrophobicContact CE2-CG2 4.14Å | ||
| 334 | N | 74.6 | Confident | 82.1 | Confident | 74 Ų | 74 | 30.1 Ų | 30.1 | 40% | 0.396 | 17% | 0.166 | S | C | . | . | S | Bend | trans | -113.5 | -8 | 176.9 | -70.5 | -24.9 | 0 | 0 | 0 | 113.2 | K251 Q252 | K251-N334 WeakPolarHBondContact CE-OD1 3.45Å; K251-N334 PolarHBondContact NZ-OD1 2.94Å; Q252-N334 WeakPolarHBondContact CA-O 3.14Å; Q252-N334 WeakPolarHBondContact CB-O 3.41Å |
| 335 | S | 75.8 | Confident | 81.2 | Confident | 37 Ų | 37 | 33.6 Ų | 33.6 | 26% | 0.259 | 19% | 0.187 | S | C | . | . | trans | -118.3 | 133.2 | 178.8 | 174.1 | 0 | 0 | 0 | 0 | 110.4 | T338 G339 | S335-T338 VanDerWaalsContact CB-OG1 3.3Å; S335-T338 WeakPolarHBondContact CB-OG1 3.45Å; S335-T338 PolarHBondContact O-OG1 2.98Å; S335-T338 PolarHBondContact OG-OG1 3.03Å; S335-G339 PolarHBondContact O-N 2.84Å | ||
| 336 | A | 72.8 | Confident | 80.7 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.008 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.7 | -49.2 | -174.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | L248 I249 V340 | L248-A336 HydrophobicContact CB-CB 3.89Å; I249-A336 HydrophobicContact CG1-CB 3.55Å; A336-V340 WeakPolarHBondContact O-CB 3.38Å; A336-V340 WeakPolarHBondContact O-CG2 3.32Å; A336-V340 PolarHBondContact O-N 3.12Å |
| 337 | H | 71.9 | Confident | 80.5 | Confident | 99 Ų | 99 | 35.2 Ų | 35.2 | 46% | 0.458 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -68.6 | -41.4 | -174.7 | -66.4 | -61.8 | 0 | 0 | 0 | 112.7 | A341 | H337-A341 PolarHBondContact O-N 3.15Å |
| 338 | T | 71 | Confident | 80.1 | Confident | 44 Ų | 44 | 38.7 Ų | 38.7 | 27% | 0.27 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -71.5 | -42.5 | 177.8 | 56 | 0 | 0 | 0 | 0 | 111.3 | S335 A341 L342 T1252 | S335-T338 VanDerWaalsContact CB-OG1 3.3Å; S335-T338 WeakPolarHBondContact CB-OG1 3.45Å; S335-T338 PolarHBondContact O-OG1 2.98Å; S335-T338 PolarHBondContact OG-OG1 3.03Å; T338-A341 PolarHBondContact O-N 3.28Å; T338-L342 WeakPolarHBondContact O-CB 3.19Å; T338-L342 WeakPolarHBondContact O-CG 3.29Å; T338-L342 PolarHBondContact O-N 3.32Å; T338-T1252 HydrophobicContact CG2-CG2 3.47Å; T338-T1252 VanDerWaalsContact CG2-CG2 3.47Å |
| 339 | G | 78.3 | Confident | 79.4 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.4 | -46.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | S335 A341 L342 V343 | S335-G339 PolarHBondContact O-N 2.84Å; G339-A341 PolarHBondContact O-N 2.91Å; G339-L342 PolarHBondContact O-N 3.09Å; G339-V343 WeakPolarHBondContact O-CB 3.41Å; G339-V343 WeakPolarHBondContact O-CG2 3.36Å; G339-V343 PolarHBondContact O-N 2.93Å |
| 340 | V | 79.5 | Confident | 79.1 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 18% | 0.176 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.8 | -42.3 | 178.9 | 174.5 | 0 | 0 | 0 | 0 | 112.2 | L241 R245 L248 A336 V343 C344 | L241-V340 HydrophobicContact CB-CG1 4.45Å; L241-V340 HydrophobicContact CD2-CG1 4.3Å; R245-V340 VanDerWaalsContact CA-CG2 3.46Å; R245-V340 HydrophobicContact CB-CG2 3.47Å; R245-V340 VanDerWaalsContact CB-CG2 3.47Å; R245-V340 HydrophobicContact CG-CG2 3.93Å; L248-V340 HydrophobicContact CD1-CG2 4.21Å; A336-V340 WeakPolarHBondContact O-CB 3.38Å; A336-V340 WeakPolarHBondContact O-CG2 3.32Å; A336-V340 PolarHBondContact O-N 3.12Å; V340-V343 PolarHBondContact O-N 2.91Å; V340-C344 VanDerWaalsContact O-CB 3.27Å; V340-C344 WeakPolarHBondContact O-CB 3.4Å; V340-C344 PolarHBondContact O-N 2.91Å |
| 341 | A | 68.9 | Low | 78.8 | Confident | 25 Ų | 25 | 42.9 Ų | 42.9 | 21% | 0.207 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -42.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | H337 T338 G339 C344 T345 V1256 | H337-A341 PolarHBondContact O-N 3.15Å; T338-A341 PolarHBondContact O-N 3.28Å; G339-A341 PolarHBondContact O-N 2.91Å; A341-C344 PolarHBondContact O-N 3.49Å; A341-T345 PolarHBondContact O-N 3.01Å; A341-T345 PolarHBondContact O-OG1 2.78Å; A341-V1256 HydrophobicContact CB-CG2 3.81Å |
| 342 | L | 75.5 | Confident | 78.2 | Confident | 86 Ų | 86 | 47 Ų | 47 | 45% | 0.45 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -68.4 | -43.2 | 177.1 | -74.9 | 167 | 0 | 0 | 0 | 111.7 | F333 T338 G339 C344 T345 V346 | F333-L342 HydrophobicContact CD1-CD1 4.27Å; F333-L342 HydrophobicContact CE1-CB 4.45Å; F333-L342 HydrophobicContact CE1-CD1 3.55Å; F333-L342 HydrophobicContact CE2-CB 4.48Å; F333-L342 HydrophobicContact CZ-CB 4.01Å; F333-L342 HydrophobicContact CZ-CD1 3.94Å; T338-L342 WeakPolarHBondContact O-CB 3.19Å; T338-L342 WeakPolarHBondContact O-CG 3.29Å; T338-L342 PolarHBondContact O-N 3.32Å; G339-L342 PolarHBondContact O-N 3.09Å; L342-C344 VanDerWaalsContact C-N 3.3Å; L342-C344 PolarHBondContact O-N 3.24Å; L342-T345 WeakPolarHBondContact O-CB 3.43Å; L342-T345 PolarHBondContact O-N 3.07Å; L342-T345 VanDerWaalsContact O-N 3.16Å; L342-V346 WeakPolarHBondContact O-CG2 3.23Å; L342-V346 PolarHBondContact O-N 2.79Å |
| 343 | V | 82.7 | Confident | 77.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.006 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.7 | -41.8 | 175.1 | 173.1 | 0 | 0 | 0 | 0 | 110.7 | L241 T244 L329 F333 G339 V340 T345 V346 L347 | L241-V343 HydrophobicContact CD2-CB 4.15Å; L241-V343 HydrophobicContact CD2-CG1 3.8Å; T244-V343 HydrophobicContact CG2-CB 4.5Å; T244-V343 HydrophobicContact CG2-CG1 4.34Å; T244-V343 HydrophobicContact CG2-CG2 4.13Å; L329-V343 HydrophobicContact CB-CG2 3.84Å; L329-V343 HydrophobicContact CD1-CG1 4.12Å; L329-V343 HydrophobicContact CD1-CG2 4.33Å; F333-V343 HydrophobicContact CD2-CG2 4.41Å; F333-V343 HydrophobicContact CE2-CG2 4.14Å; G339-V343 WeakPolarHBondContact O-CB 3.41Å; G339-V343 WeakPolarHBondContact O-CG2 3.36Å; G339-V343 PolarHBondContact O-N 2.93Å; V340-V343 PolarHBondContact O-N 2.91Å; V343-T345 VanDerWaalsContact C-N 3.33Å; V343-T345 PolarHBondContact O-N 2.75Å; V343-V346 PolarHBondContact O-N 3.04Å; V343-L347 HydrophobicContact CG1-CD1 3.98Å; V343-L347 HydrophobicContact CG1-CG 4.35Å; V343-L347 WeakPolarHBondContact O-CB 3.22Å; V343-L347 VanDerWaalsContact O-CG 3.29Å; V343-L347 WeakPolarHBondContact O-CG 3.38Å; V343-L347 PolarHBondContact O-N 2.88Å |
| 344 | C | 82.5 | Confident | 77.7 | Confident | 36 Ų | 36 | 42.9 Ų | 42.9 | 24% | 0.243 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -60.1 | -45.1 | 174.4 | -179.3 | 0 | 0 | 0 | 0 | 111.6 | L241 V340 A341 L342 L347 I348 | L241-C344 HydrophobicContact CD1-CB 3.61Å; L241-C344 HydrophobicContact CD2-CB 3.65Å; L241-C344 HydrophobicContact CG-CB 4.29Å; V340-C344 VanDerWaalsContact O-CB 3.27Å; V340-C344 WeakPolarHBondContact O-CB 3.4Å; V340-C344 PolarHBondContact O-N 2.91Å; A341-C344 PolarHBondContact O-N 3.49Å; L342-C344 VanDerWaalsContact C-N 3.3Å; L342-C344 PolarHBondContact O-N 3.24Å; C344-L347 PolarHBondContact O-N 2.91Å; C344-I348 WeakPolarHBondContact O-CG1 3.21Å; C344-I348 PolarHBondContact O-N 2.67Å |
| 345 | T | 73.9 | Confident | 77.7 | Confident | 74 Ų | 74 | 42.3 Ų | 42.3 | 45% | 0.454 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.8 | -46.4 | 177.7 | -52.3 | 0 | 0 | 0 | 0 | 110.8 | A341 L342 V343 L347 I348 V349 | A341-T345 PolarHBondContact O-N 3.01Å; A341-T345 PolarHBondContact O-OG1 2.78Å; L342-T345 WeakPolarHBondContact O-CB 3.43Å; L342-T345 PolarHBondContact O-N 3.07Å; L342-T345 VanDerWaalsContact O-N 3.16Å; V343-T345 VanDerWaalsContact C-N 3.33Å; V343-T345 PolarHBondContact O-N 2.75Å; T345-L347 PolarHBondContact O-N 2.83Å; T345-I348 PolarHBondContact O-N 2.72Å; T345-V349 HydrophobicContact CG2-CG2 4.29Å; T345-V349 WeakPolarHBondContact O-CB 3.48Å; T345-V349 VanDerWaalsContact O-CG2 3.25Å; T345-V349 WeakPolarHBondContact O-CG2 3.38Å; T345-V349 PolarHBondContact O-N 3.36Å |
| 346 | V | 83 | Confident | 77.6 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 33% | 0.327 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 178 | 170.5 | 0 | 0 | 0 | 0 | 111.1 | F325 L329 L342 V343 I348 V349 I350 | F325-V346 HydrophobicContact CE1-CG1 4.38Å; F325-V346 HydrophobicContact CZ-CG1 4.3Å; L329-V346 HydrophobicContact CD1-CB 4.42Å; L329-V346 HydrophobicContact CD1-CG1 3.92Å; L342-V346 WeakPolarHBondContact O-CG2 3.23Å; L342-V346 PolarHBondContact O-N 2.79Å; V343-V346 PolarHBondContact O-N 3.04Å; V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 PolarHBondContact O-N 2.93Å; V346-V349 PolarHBondContact O-N 3.01Å; V346-I350 HydrophobicContact CG1-CD1 3.58Å; V346-I350 HydrophobicContact CG1-CG1 4.4Å; V346-I350 WeakPolarHBondContact O-CB 3.24Å; V346-I350 WeakPolarHBondContact O-CD1 3.4Å; V346-I350 VanDerWaalsContact O-CG1 3.23Å; V346-I350 WeakPolarHBondContact O-CG1 3.14Å; V346-I350 PolarHBondContact O-N 2.82Å |
| 347 | L | 85.7 | Confident | 77.8 | Confident | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.4 | -38.2 | 177.9 | -72.5 | 173.2 | 0 | 0 | 0 | 112.7 | I237 T240 L241 I322 F325 V343 C344 T345 S351 | I237-L347 HydrophobicContact CD1-CB 4.36Å; I237-L347 HydrophobicContact CG1-CB 4.23Å; I237-L347 HydrophobicContact CG2-CB 4.4Å; I237-L347 HydrophobicContact CG2-CD1 4.19Å; T240-L347 HydrophobicContact CG2-CD1 4.13Å; L241-L347 HydrophobicContact CD2-CD1 4.09Å; L241-L347 HydrophobicContact CG-CD1 4.3Å; I322-L347 HydrophobicContact CD1-CD2 4.34Å; I322-L347 HydrophobicContact CG1-CD2 4.17Å; F325-L347 HydrophobicContact CD1-CD2 3.74Å; F325-L347 HydrophobicContact CE1-CD2 3.84Å; V343-L347 HydrophobicContact CG1-CD1 3.98Å; V343-L347 HydrophobicContact CG1-CG 4.35Å; V343-L347 WeakPolarHBondContact O-CB 3.22Å; V343-L347 VanDerWaalsContact O-CG 3.29Å; V343-L347 WeakPolarHBondContact O-CG 3.38Å; V343-L347 PolarHBondContact O-N 2.88Å; C344-L347 PolarHBondContact O-N 2.91Å; T345-L347 PolarHBondContact O-N 2.83Å; L347-S351 PolarHBondContact O-N 3.38Å |
| 348 | I | 80.3 | Confident | 78.1 | Confident | 73 Ų | 73 | 41.8 Ų | 41.8 | 37% | 0.374 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -71.1 | -44.5 | 175.3 | -67.4 | 168.4 | 0 | 0 | 0 | 110.7 | C344 T345 V346 I350 S351 L352 | C344-I348 WeakPolarHBondContact O-CG1 3.21Å; C344-I348 PolarHBondContact O-N 2.67Å; T345-I348 PolarHBondContact O-N 2.72Å; V346-I348 VanDerWaalsContact C-N 3.34Å; V346-I348 PolarHBondContact O-N 2.93Å; I348-I350 PolarHBondContact O-N 3.03Å; I348-S351 PolarHBondContact O-N 3.36Å; I348-S351 PolarHBondContact O-OG 3.35Å; I348-L352 PolarHBondContact O-N 3.39Å |
| 349 | V | 77 | Confident | 78.1 | Confident | 81 Ų | 81 | 47.3 Ų | 47.3 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -61.5 | -37 | 179.2 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | T345 V346 S351 L352 P353 | T345-V349 HydrophobicContact CG2-CG2 4.29Å; T345-V349 WeakPolarHBondContact O-CB 3.48Å; T345-V349 VanDerWaalsContact O-CG2 3.25Å; T345-V349 WeakPolarHBondContact O-CG2 3.38Å; T345-V349 PolarHBondContact O-N 3.36Å; V346-V349 PolarHBondContact O-N 3.01Å; V349-S351 VanDerWaalsContact C-N 3.27Å; V349-S351 PolarHBondContact O-N 3.25Å; V349-L352 PolarHBondContact O-N 3.5Å; V349-P353 VanDerWaalsContact O-CD 3.25Å; V349-P353 WeakPolarHBondContact O-CD 3.14Å |
| 350 | I | 83.5 | Confident | 77.9 | Confident | 23 Ų | 23 | 49.2 Ų | 49.2 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -68.3 | -24.7 | 176.2 | -71.4 | 166.7 | 0 | 0 | 0 | 112.4 | F325 V346 I348 P353 L375 | F325-I350 HydrophobicContact CE1-CD1 3.61Å; F325-I350 HydrophobicContact CZ-CD1 3.47Å; F325-I350 VanDerWaalsContact CZ-CD1 3.47Å; V346-I350 HydrophobicContact CG1-CD1 3.58Å; V346-I350 HydrophobicContact CG1-CG1 4.4Å; V346-I350 WeakPolarHBondContact O-CB 3.24Å; V346-I350 WeakPolarHBondContact O-CD1 3.4Å; V346-I350 VanDerWaalsContact O-CG1 3.23Å; V346-I350 WeakPolarHBondContact O-CG1 3.14Å; V346-I350 PolarHBondContact O-N 2.82Å; I348-I350 PolarHBondContact O-N 3.03Å; I350-P353 WeakPolarHBondContact O-CD 3.27Å; I350-L375 HydrophobicContact CD1-CD2 4.17Å; I350-L375 HydrophobicContact CG1-CD2 4.32Å; I350-L375 HydrophobicContact CG2-CB 3.8Å; I350-L375 HydrophobicContact CG2-CD1 4.27Å; I350-L375 HydrophobicContact CG2-CD2 4.15Å; I350-L375 HydrophobicContact CG2-CG 4.3Å |
| 351 | S | 82.2 | Confident | 77.8 | Confident | 16 Ų | 16 | 48 Ų | 48 | 11% | 0.112 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -85.6 | -20.4 | 176.7 | 70.2 | 0 | 0 | 0 | 0 | 113.8 | L347 I348 V349 Y354 | L347-S351 PolarHBondContact O-N 3.38Å; I348-S351 PolarHBondContact O-N 3.36Å; I348-S351 PolarHBondContact O-OG 3.35Å; V349-S351 VanDerWaalsContact C-N 3.27Å; V349-S351 PolarHBondContact O-N 3.25Å; S351-Y354 WeakPolarHBondContact O-CB 3.44Å; S351-Y354 PolarHBondContact O-N 3.05Å |
| 352 | L | 74 | Confident | 77.8 | Confident | 95 Ų | 95 | 52.2 Ų | 52.2 | 50% | 0.497 | 28% | 0.279 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -33.7 | -179.9 | -71.3 | 175.8 | 0 | 0 | 0 | 115.7 | I348 V349 Y354 P355 | I348-L352 PolarHBondContact O-N 3.39Å; V349-L352 PolarHBondContact O-N 3.5Å; L352-Y354 PolarHBondContact O-N 3.49Å; L352-P355 WeakPolarHBondContact O-CD 3.44Å |
| 353 | P | 78.6 | Confident | 77.7 | Confident | 47 Ų | 47 | 54.6 Ų | 54.6 | 31% | 0.305 | 29% | 0.288 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.4 | -19 | 176.4 | -21.8 | 32.9 | 0 | 0 | 0 | 113.7 | V349 I350 L356 L357 L378 | V349-P353 VanDerWaalsContact O-CD 3.25Å; V349-P353 WeakPolarHBondContact O-CD 3.14Å; I350-P353 WeakPolarHBondContact O-CD 3.27Å; P353-L356 WeakPolarHBondContact O-CB 3.42Å; P353-L356 PolarHBondContact O-N 2.7Å; P353-L356 VanDerWaalsContact O-N 3.14Å; P353-L357 HydrophobicContact CB-CD1 3.97Å; P353-L357 WeakPolarHBondContact O-CB 3.35Å; P353-L357 WeakPolarHBondContact O-CG 3.43Å; P353-L357 PolarHBondContact O-N 2.97Å; P353-L378 HydrophobicContact CB-CD2 4.15Å |
| 354 | Y | 81.1 | Confident | 77.5 | Confident | 4 Ų | 4 | 56.1 Ų | 56.1 | 2% | 0.016 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -53 | -175 | 164.1 | -106.2 | 0 | 0 | 0 | 113.2 | A229 S351 L352 L356 L357 E358 G381 I385 | A229-Y354 HydrophobicContact CB-CD1 4.39Å; A229-Y354 HydrophobicContact CB-CE1 3.46Å; A229-Y354 VanDerWaalsContact CB-CE1 3.46Å; A229-Y354 HydrophobicContact CB-CE2 4.26Å; A229-Y354 WeakPolarHBondContact CB-OH 3.37Å; S351-Y354 WeakPolarHBondContact O-CB 3.44Å; S351-Y354 PolarHBondContact O-N 3.05Å; L352-Y354 PolarHBondContact O-N 3.49Å; Y354-L356 PolarHBondContact O-N 2.9Å; Y354-L356 VanDerWaalsContact O-N 3.14Å; Y354-L357 PolarHBondContact O-N 3.14Å; Y354-L357 VanDerWaalsContact O-N 3.11Å; Y354-E358 HydrophobicContact CE2-CB 4.4Å; Y354-E358 WeakPolarHBondContact O-CB 3.38Å; Y354-E358 PolarHBondContact O-N 3.35Å; Y354-G381 VanDerWaalsContact CE2-C 3.45Å; Y354-I385 HydrophobicContact CE2-CD1 4.05Å |
| 355 | P | 73.7 | Confident | 77.6 | Confident | 62 Ų | 62 | 60 Ų | 60 | 40% | 0.403 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.5 | -25.6 | 177.8 | -24.4 | 34.8 | 0 | 0 | 0 | 113.8 | L352 | L352-P355 WeakPolarHBondContact O-CD 3.44Å |
| 356 | L | 73.2 | Confident | 78.2 | Confident | 69 Ų | 69 | 59.2 Ų | 59.2 | 36% | 0.361 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -77 | -42.1 | 176.1 | -61 | 175.4 | 0 | 0 | 0 | 111.5 | P353 Y354 H360 F953 | P353-L356 WeakPolarHBondContact O-CB 3.42Å; P353-L356 PolarHBondContact O-N 2.7Å; P353-L356 VanDerWaalsContact O-N 3.14Å; Y354-L356 PolarHBondContact O-N 2.9Å; Y354-L356 VanDerWaalsContact O-N 3.14Å; L356-H360 PolarHBondContact O-ND1 3.17Å; L356-F953 HydrophobicContact CD1-CE1 4.37Å |
| 357 | L | 78 | Confident | 78.5 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 16% | 0.162 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -71 | -34.5 | 177.4 | -75.4 | 160.9 | 0 | 0 | 0 | 112 | P353 Y354 R359 H360 Y361 L364 L378 F382 | P353-L357 HydrophobicContact CB-CD1 3.97Å; P353-L357 WeakPolarHBondContact O-CB 3.35Å; P353-L357 WeakPolarHBondContact O-CG 3.43Å; P353-L357 PolarHBondContact O-N 2.97Å; Y354-L357 PolarHBondContact O-N 3.14Å; Y354-L357 VanDerWaalsContact O-N 3.11Å; L357-R359 VanDerWaalsContact C-N 3.26Å; L357-R359 PolarHBondContact O-N 3.28Å; L357-H360 CarbonylContact O-C 3.48Å; L357-H360 PolarHBondContact O-N 2.94Å; L357-Y361 PolarHBondContact O-N 2.98Å; L357-L364 HydrophobicContact CD2-CD1 3.72Å; L357-L364 HydrophobicContact CD2-CD2 4.43Å; L357-L378 HydrophobicContact CD1-CD1 3.92Å; L357-L378 HydrophobicContact CD1-CD2 3.94Å; L357-L378 HydrophobicContact CD1-CG 4.5Å; L357-F382 HydrophobicContact CB-CE1 4.4Å |
| 358 | E | 76.9 | Confident | 78.6 | Confident | 26 Ų | 26 | 67.9 Ų | 67.9 | 12% | 0.121 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -53.6 | -45 | 176.3 | -176.8 | -171.7 | 166.9 | 0 | 0 | 110.8 | M156 Y354 H360 Y361 I385 | M156-E358 WeakPolarHBondContact CE-O 3.22Å; Y354-E358 HydrophobicContact CE2-CB 4.4Å; Y354-E358 WeakPolarHBondContact O-CB 3.38Å; Y354-E358 PolarHBondContact O-N 3.35Å; E358-H360 VanDerWaalsContact C-N 3.31Å; E358-H360 PolarHBondContact O-N 3.1Å; E358-Y361 WeakPolarHBondContact O-CB 3.47Å; E358-Y361 PolarHBondContact O-N 3.29Å; E358-I385 HydrophobicContact CB-CD1 4.38Å; E358-I385 HydrophobicContact CG-CD1 3.97Å |
| 359 | R | 71.2 | Confident | 79 | Confident | 161 Ų | 161 | 64.7 Ų | 64.7 | 61% | 0.608 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -66.6 | -28.4 | 179.4 | -68.8 | -175.3 | -179 | -177.4 | -0 | 114 | L357 | L357-R359 VanDerWaalsContact C-N 3.26Å; L357-R359 PolarHBondContact O-N 3.28Å |
| 360 | H | 74.3 | Confident | 79.6 | Confident | 39 Ų | 39 | 62.3 Ų | 62.3 | 18% | 0.181 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | 14 | -177.4 | -57.8 | 93.6 | 0 | 0 | 0 | 112.3 | L356 L357 E358 N362 E363 H957 K961 | L356-H360 PolarHBondContact O-ND1 3.17Å; L357-H360 CarbonylContact O-C 3.48Å; L357-H360 PolarHBondContact O-N 2.94Å; E358-H360 VanDerWaalsContact C-N 3.31Å; E358-H360 PolarHBondContact O-N 3.1Å; H360-N362 PolarHBondContact O-N 2.95Å; H360-N362 VanDerWaalsContact O-N 3.1Å; H360-E363 IonicContact CD2-OE1 3.62Å; H360-E363 IonicContact CD2-OE2 2.63Å; H360-E363 PolarHBondContact CD2-OE2 2.56Å; H360-E363 WeakPolarHBondContact O-CB 3.37Å; H360-E363 PolarHBondContact O-N 3.41Å; H360-H957 AromaticContact CE1-CE1 3.91Å; H360-H957 AromaticContact CE1-NE2 3.59Å; H360-K961 PolarHBondContact NE2-NZ 2.97Å; H360-K961 VanDerWaalsContact NE2-NZ 3.13Å |
| 361 | Y | 77.6 | Confident | 79.9 | Confident | 3 Ų | 3 | 67.4 Ų | 67.4 | 1% | 0.012 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -54.1 | -37.2 | -173.3 | 177.7 | -99.3 | 0 | 0 | 0 | 113.7 | L357 E358 E363 L364 K369 F382 I385 D410 L412 | L357-Y361 PolarHBondContact O-N 2.98Å; E358-Y361 WeakPolarHBondContact O-CB 3.47Å; E358-Y361 PolarHBondContact O-N 3.29Å; Y361-E363 VanDerWaalsContact C-N 3.31Å; Y361-E363 PolarHBondContact O-N 3.31Å; Y361-L364 PolarHBondContact O-N 3.08Å; Y361-K369 HydrophobicContact CE2-CD 4.24Å; Y361-K369 WeakPolarHBondContact O-CE 3.48Å; Y361-K369 PolarHBondContact O-NZ 2.96Å; Y361-F382 AromaticContact CD2-CD1 3.77Å; Y361-F382 HydrophobicContact CD2-CD1 3.77Å; Y361-F382 AromaticContact CD2-CE1 3.72Å; Y361-F382 HydrophobicContact CD2-CE1 3.72Å; Y361-F382 HydrophobicContact CD2-CZ 4.44Å; Y361-F382 AromaticContact CE2-CD1 3.75Å; Y361-F382 HydrophobicContact CE2-CD1 3.75Å; Y361-F382 HydrophobicContact CE2-CE1 4.1Å; Y361-F382 HydrophobicContact CE2-CG 4.12Å; Y361-I385 HydrophobicContact CD2-CD1 4.34Å; Y361-I385 HydrophobicContact CE1-CG2 4.42Å; Y361-D410 WeakPolarHBondContact CE1-OD2 3.49Å; Y361-D410 PolarHBondContact OH-OD2 2.8Å; Y361-L412 HydrophobicContact CE2-CD2 4.31Å |
| 362 | N | 68.8 | Low | 80.1 | Confident | 114 Ų | 114 | 67.7 Ų | 67.7 | 61% | 0.61 | 33% | 0.334 | S | S | * | . | G | 310 helix | trans | -75.1 | -18.3 | -179.3 | -64.2 | -16.2 | 0 | 0 | 0 | 113.2 | H360 | H360-N362 PolarHBondContact O-N 2.95Å; H360-N362 VanDerWaalsContact O-N 3.1Å |
| 363 | E | 74.2 | Confident | 80.8 | Confident | 137 Ų | 137 | 63.2 Ų | 63.2 | 64% | 0.64 | 31% | 0.31 | S | S | * | . | G | 310 helix | trans | -87 | -12.8 | 178.3 | -60 | 175.2 | -169.8 | 0 | 0 | 112 | H360 Y361 | H360-E363 IonicContact CD2-OE1 3.62Å; H360-E363 IonicContact CD2-OE2 2.63Å; H360-E363 PolarHBondContact CD2-OE2 2.56Å; H360-E363 WeakPolarHBondContact O-CB 3.37Å; H360-E363 PolarHBondContact O-N 3.41Å; Y361-E363 VanDerWaalsContact C-N 3.31Å; Y361-E363 PolarHBondContact O-N 3.31Å |
| 364 | L | 78.7 | Confident | 81.3 | Confident | 32 Ų | 32 | 63.6 Ų | 63.6 | 17% | 0.168 | 31% | 0.309 | C | S | . | . | S | Bend | trans | -86.3 | 128.8 | -174.4 | -62 | 172.3 | 0 | 0 | 0 | 112.1 | L357 Y361 I368 K369 F382 | L357-L364 HydrophobicContact CD2-CD1 3.72Å; L357-L364 HydrophobicContact CD2-CD2 4.43Å; Y361-L364 PolarHBondContact O-N 3.08Å; L364-I368 HydrophobicContact CD2-CG2 3.97Å; L364-K369 HydrophobicContact CB-CG 3.87Å; L364-K369 VanDerWaalsContact O-CE 3.22Å; L364-K369 WeakPolarHBondContact O-CE 3.39Å; L364-F382 HydrophobicContact CD1-CZ 4.26Å |
| 365 | N | 84.6 | Confident | 81.7 | Confident | 119 Ų | 119 | 66.5 Ų | 66.5 | 64% | 0.636 | 33% | 0.325 | S | S | * | . | trans | -68.2 | 154.2 | 170.8 | -73.9 | -14.7 | 0 | 0 | 0 | 111.9 | F367 I368 K369 | N365-F367 VanDerWaalsContact C-N 3.28Å; N365-F367 PolarHBondContact O-N 3.25Å; N365-I368 HydrophobicContact CB-CD1 4.4Å; N365-I368 PolarHBondContact O-N 3.36Å; N365-K369 PolarHBondContact O-N 3Å | ||
| 366 | L | 85.5 | Confident | 82.4 | Confident | 57 Ų | 57 | 63.7 Ų | 63.7 | 30% | 0.298 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -53 | -42.5 | -179.4 | -179 | 65.7 | 0 | 0 | 0 | 113.1 | I368 K369 L370 N411 L412 L416 | L366-I368 VanDerWaalsContact C-N 3.35Å; L366-I368 PolarHBondContact O-N 3.41Å; L366-K369 PolarHBondContact O-N 2.99Å; L366-L370 HydrophobicContact CD1-CD1 4.31Å; L366-L370 HydrophobicContact CD1-CG 4.32Å; L366-L370 HydrophobicContact CG-CD1 4.12Å; L366-L370 HydrophobicContact CG-CG 4.49Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.13Å; L366-N411 HydrophobicContact CB-CB 4.37Å; L366-N411 HydrophobicContact CD1-CB 4.23Å; L366-N411 HydrophobicContact CD2-CB 4.06Å; L366-N411 HydrophobicContact CG-CB 4.46Å; L366-L412 HydrophobicContact CD1-CB 4.19Å; L366-L412 HydrophobicContact CD1-CD1 4.02Å; L366-L416 HydrophobicContact CD1-CD2 4.16Å |
| 367 | F | 88.6 | Confident | 83.2 | Confident | 162 Ų | 162 | 60.5 Ų | 60.5 | 71% | 0.711 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.7 | -43.9 | 177.9 | 178 | -96.8 | 0 | 0 | 0 | 112 | N365 L370 F371 | N365-F367 VanDerWaalsContact C-N 3.28Å; N365-F367 PolarHBondContact O-N 3.25Å; F367-L370 PolarHBondContact O-N 3.25Å; F367-F371 VanDerWaalsContact O-CB 3.26Å; F367-F371 WeakPolarHBondContact O-CB 3.25Å; F367-F371 PolarHBondContact O-N 3.36Å |
| 368 | I | 88.5 | Confident | 83.8 | Confident | 75 Ų | 75 | 59.2 Ų | 59.2 | 39% | 0.385 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 178.8 | -58.4 | 172.9 | 0 | 0 | 0 | 109.4 | L364 N365 L366 L370 F371 T372 | L364-I368 HydrophobicContact CD2-CG2 3.97Å; N365-I368 HydrophobicContact CB-CD1 4.4Å; N365-I368 PolarHBondContact O-N 3.36Å; L366-I368 VanDerWaalsContact C-N 3.35Å; L366-I368 PolarHBondContact O-N 3.41Å; I368-L370 PolarHBondContact O-N 2.96Å; I368-F371 PolarHBondContact O-N 3.18Å; I368-T372 HydrophobicContact CG2-CG2 4.38Å; I368-T372 WeakPolarHBondContact O-CG2 3.38Å; I368-T372 PolarHBondContact O-N 3.28Å; I368-T372 PolarHBondContact O-OG1 3.37Å |
| 369 | K | 88.7 | Confident | 84.4 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.026 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -55.5 | -51.7 | 175.1 | -68.2 | -178.8 | 176.7 | -179.1 | 0 | 111 | Y361 L364 N365 L366 T372 C373 F382 D410 L412 | Y361-K369 HydrophobicContact CE2-CD 4.24Å; Y361-K369 WeakPolarHBondContact O-CE 3.48Å; Y361-K369 PolarHBondContact O-NZ 2.96Å; L364-K369 HydrophobicContact CB-CG 3.87Å; L364-K369 VanDerWaalsContact O-CE 3.22Å; L364-K369 WeakPolarHBondContact O-CE 3.39Å; N365-K369 PolarHBondContact O-N 3Å; L366-K369 PolarHBondContact O-N 2.99Å; K369-T372 PolarHBondContact O-N 3.34Å; K369-T372 PolarHBondContact O-OG1 3.2Å; K369-C373 PolarHBondContact O-N 2.93Å; K369-C373 PolarHBondContact O-SG 3.36Å; K369-F382 HydrophobicContact CB-CE2 4.28Å; K369-F382 HydrophobicContact CG-CE2 4.5Å; K369-D410 IonicContact NZ-OD1 3.86Å; K369-D410 PolarHBondContact NZ-OD1 3.04Å; K369-D410 IonicContact NZ-OD2 3.82Å; K369-D410 PolarHBondContact NZ-OD2 2.92Å; K369-L412 HydrophobicContact CB-CD2 4.4Å; K369-L412 HydrophobicContact CD-CB 4.2Å; K369-L412 HydrophobicContact CD-CD2 4.1Å |
| 370 | L | 90 | Very high | 85.4 | Confident | 30 Ų | 30 | 50.4 Ų | 50.4 | 16% | 0.157 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.6 | -40.8 | 178.9 | -69.9 | 175.4 | 0 | 0 | 0 | 113 | L366 F367 I368 T372 C373 L412 L416 M420 | L366-L370 HydrophobicContact CD1-CD1 4.31Å; L366-L370 HydrophobicContact CD1-CG 4.32Å; L366-L370 HydrophobicContact CG-CD1 4.12Å; L366-L370 HydrophobicContact CG-CG 4.49Å; L366-L370 WeakPolarHBondContact O-CG 3.31Å; L366-L370 PolarHBondContact O-N 3.13Å; F367-L370 PolarHBondContact O-N 3.25Å; I368-L370 PolarHBondContact O-N 2.96Å; L370-T372 VanDerWaalsContact C-N 3.33Å; L370-T372 PolarHBondContact O-N 3.22Å; L370-C373 VanDerWaalsContact O-CB 3.3Å; L370-C373 WeakPolarHBondContact O-CB 3.48Å; L370-C373 PolarHBondContact O-N 3.21Å; L370-L412 HydrophobicContact CD2-CD1 4.03Å; L370-L416 HydrophobicContact CD1-CD2 3.93Å; L370-L416 HydrophobicContact CD2-CD2 3.85Å; L370-L416 HydrophobicContact CD2-CG 4.01Å; L370-L416 HydrophobicContact CG-CD2 4.36Å; L370-M420 HydrophobicContact CB-CE 4.14Å; L370-M420 HydrophobicContact CD1-CE 4.11Å; L370-M420 HydrophobicContact CD2-CE 3.91Å; L370-M420 HydrophobicContact CD2-CG 3.83Å; L370-M420 HydrophobicContact CG-CE 4.27Å |
| 371 | F | 89 | Confident | 86.1 | Confident | 131 Ų | 131 | 48.5 Ų | 48.5 | 58% | 0.575 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -63.7 | -39.6 | 177.5 | -177.3 | -100 | 0 | 0 | 0 | 111.7 | F367 I368 C373 L374 | F367-F371 VanDerWaalsContact O-CB 3.26Å; F367-F371 WeakPolarHBondContact O-CB 3.25Å; F367-F371 PolarHBondContact O-N 3.36Å; I368-F371 PolarHBondContact O-N 3.18Å; F371-C373 PolarHBondContact O-N 3.39Å; F371-L374 HydrophobicContact CD2-CD1 3.82Å; F371-L374 HydrophobicContact CE2-CD1 4.08Å; F371-L374 WeakPolarHBondContact O-CB 3.31Å; F371-L374 PolarHBondContact O-N 3.35Å |
| 372 | T | 87.3 | Confident | 86.7 | Confident | 22 Ų | 22 | 48.4 Ų | 48.4 | 14% | 0.135 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.7 | -23.3 | 174.3 | 51.9 | 0 | 0 | 0 | 0 | 113 | I368 K369 L370 L374 L375 F382 | I368-T372 HydrophobicContact CG2-CG2 4.38Å; I368-T372 WeakPolarHBondContact O-CG2 3.38Å; I368-T372 PolarHBondContact O-N 3.28Å; I368-T372 PolarHBondContact O-OG1 3.37Å; K369-T372 PolarHBondContact O-N 3.34Å; K369-T372 PolarHBondContact O-OG1 3.2Å; L370-T372 VanDerWaalsContact C-N 3.33Å; L370-T372 PolarHBondContact O-N 3.22Å; T372-L374 VanDerWaalsContact C-N 3.26Å; T372-L374 PolarHBondContact O-N 3.28Å; T372-L375 PolarHBondContact O-N 3.25Å; T372-F382 VanDerWaalsContact OG1-CE2 3.29Å; T372-F382 WeakPolarHBondContact OG1-CE2 3.41Å |
| 373 | C | 89.1 | Confident | 87.8 | Confident | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -68.3 | -20.4 | 176.5 | -65.6 | 0 | 0 | 0 | 0 | 113.9 | K369 L370 F371 L375 L417 M420 D424 | K369-C373 PolarHBondContact O-N 2.93Å; K369-C373 PolarHBondContact O-SG 3.36Å; L370-C373 VanDerWaalsContact O-CB 3.3Å; L370-C373 WeakPolarHBondContact O-CB 3.48Å; L370-C373 PolarHBondContact O-N 3.21Å; F371-C373 PolarHBondContact O-N 3.39Å; C373-L375 CarbonylContact O-C 3.53Å; C373-L375 VanDerWaalsContact O-C 3.32Å; C373-L375 PolarHBondContact O-N 3.14Å; C373-L417 WeakPolarHBondContact SG-CD2 3.24Å; C373-M420 HydrophobicContact CB-CB 4.28Å; C373-D424 VanDerWaalsContact O-OD2 3.05Å |
| 374 | L | 87.6 | Confident | 88.5 | Confident | 56 Ų | 56 | 36.6 Ų | 36.6 | 29% | 0.293 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.2 | 170.7 | -87.5 | 143.8 | 0 | 0 | 0 | 112.7 | F371 T372 P376 F423 D424 | F371-L374 HydrophobicContact CD2-CD1 3.82Å; F371-L374 HydrophobicContact CE2-CD1 4.08Å; F371-L374 WeakPolarHBondContact O-CB 3.31Å; F371-L374 PolarHBondContact O-N 3.35Å; T372-L374 VanDerWaalsContact C-N 3.26Å; T372-L374 PolarHBondContact O-N 3.28Å; L374-P376 WeakPolarHBondContact O-CD 3.24Å; L374-F423 HydrophobicContact CD2-CE1 4.39Å; L374-D424 WeakPolarHBondContact CA-OD1 3.39Å |
| 375 | L | 89.4 | Confident | 88.9 | Confident | 65 Ų | 65 | 35.4 Ų | 35.4 | 34% | 0.34 | 18% | 0.175 | S | C | . | . | S | Bend | trans | -91.8 | 105.8 | 165.5 | -64.2 | 177.7 | 0 | 0 | 0 | 108.4 | I350 T372 C373 S377 L378 G379 | I350-L375 HydrophobicContact CD1-CD2 4.17Å; I350-L375 HydrophobicContact CG1-CD2 4.32Å; I350-L375 HydrophobicContact CG2-CB 3.8Å; I350-L375 HydrophobicContact CG2-CD1 4.27Å; I350-L375 HydrophobicContact CG2-CD2 4.15Å; I350-L375 HydrophobicContact CG2-CG 4.3Å; T372-L375 PolarHBondContact O-N 3.25Å; C373-L375 CarbonylContact O-C 3.53Å; C373-L375 VanDerWaalsContact O-C 3.32Å; C373-L375 PolarHBondContact O-N 3.14Å; L375-S377 PolarHBondContact O-N 3.23Å; L375-L378 HydrophobicContact CB-CD1 4.1Å; L375-L378 HydrophobicContact CB-CG 4.21Å; L375-L378 HydrophobicContact CD1-CD1 3.93Å; L375-L378 PolarHBondContact O-N 3.34Å; L375-G379 PolarHBondContact O-N 2.94Å |
| 376 | P | 89.6 | Confident | 89 | Confident | 2 Ų | 2 | 29.8 Ų | 29.8 | 1% | 0.013 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -56 | -35.5 | -166.2 | -29 | 35.9 | 0 | 0 | 0 | 114.1 | Y318 S321 I322 F325 L374 L378 G379 M380 F428 | Y318-P376 HydrophobicContact CD2-CB 4.43Å; Y318-P376 HydrophobicContact CE2-CB 4.07Å; Y318-P376 VanDerWaalsContact CE2-O 3.27Å; Y318-P376 WeakPolarHBondContact CE2-O 3.49Å; S321-P376 VanDerWaalsContact OG-CG 3.28Å; S321-P376 WeakPolarHBondContact OG-CG 3.22Å; I322-P376 HydrophobicContact CB-CB 4.39Å; F325-P376 HydrophobicContact CB-CG 4.36Å; L374-P376 WeakPolarHBondContact O-CD 3.24Å; P376-L378 VanDerWaalsContact C-N 3.34Å; P376-L378 PolarHBondContact O-N 3.36Å; P376-G379 PolarHBondContact O-N 3.4Å; P376-M380 PolarHBondContact O-N 3.19Å; P376-F428 HydrophobicContact CG-CE2 4.04Å |
| 377 | S | 89.8 | Confident | 89.1 | Confident | 2 Ų | 2 | 27.5 Ų | 27.5 | 1% | 0.014 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -65 | -33.6 | 179.7 | -54.1 | 0 | 0 | 0 | 0 | 113.4 | I233 L375 G381 | I233-S377 VanDerWaalsContact CD1-O 3.24Å; I233-S377 WeakPolarHBondContact CD1-O 3.5Å; L375-S377 PolarHBondContact O-N 3.23Å; S377-G381 PolarHBondContact O-N 3.19Å; S377-G381 VanDerWaalsContact O-N 3.15Å |
| 378 | L | 89.8 | Confident | 88.9 | Confident | 5 Ų | 5 | 19.8 Ų | 19.8 | 3% | 0.026 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -73.2 | -41 | 175.9 | -61.8 | -178 | 0 | 0 | 0 | 110.8 | P353 L357 L375 P376 M380 G381 F382 | P353-L378 HydrophobicContact CB-CD2 4.15Å; L357-L378 HydrophobicContact CD1-CD1 3.92Å; L357-L378 HydrophobicContact CD1-CD2 3.94Å; L357-L378 HydrophobicContact CD1-CG 4.5Å; L375-L378 HydrophobicContact CB-CD1 4.1Å; L375-L378 HydrophobicContact CB-CG 4.21Å; L375-L378 HydrophobicContact CD1-CD1 3.93Å; L375-L378 PolarHBondContact O-N 3.34Å; P376-L378 VanDerWaalsContact C-N 3.34Å; P376-L378 PolarHBondContact O-N 3.36Å; L378-M380 VanDerWaalsContact C-N 3.29Å; L378-M380 PolarHBondContact O-N 2.93Å; L378-G381 WeakPolarHBondContact O-CA 3.31Å; L378-G381 PolarHBondContact O-N 2.87Å; L378-G381 VanDerWaalsContact O-N 3.07Å; L378-F382 PolarHBondContact O-N 3.12Å |
| 379 | G | 90.8 | Very high | 88.4 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -57.8 | -41.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L375 P376 G381 F382 L383 | L375-G379 PolarHBondContact O-N 2.94Å; P376-G379 PolarHBondContact O-N 3.4Å; G379-G381 VanDerWaalsContact C-N 3.34Å; G379-F382 PolarHBondContact O-N 3.19Å; G379-L383 WeakPolarHBondContact O-CB 3.4Å; G379-L383 PolarHBondContact O-N 3.38Å |
| 380 | M | 91.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -64.4 | -38.9 | 174.2 | -176.4 | 57.2 | -173.1 | 0 | 0 | 112.5 | L232 I233 L315 Y318 P376 L378 L383 C384 | L232-M380 HydrophobicContact CB-CE 3.57Å; L232-M380 HydrophobicContact CD1-CE 3.27Å; L232-M380 HydrophobicContact CG-CE 4Å; I233-M380 HydrophobicContact CG1-CB 4.15Å; I233-M380 HydrophobicContact CG1-CG 3.98Å; L315-M380 HydrophobicContact CD2-CE 3.5Å; L315-M380 VanDerWaalsContact CD2-CE 3.5Å; L315-M380 HydrophobicContact CD2-SD 4.46Å; Y318-M380 HydrophobicContact CD1-CB 4.39Å; Y318-M380 HydrophobicContact CD1-CG 4.03Å; Y318-M380 HydrophobicContact CD1-SD 3.92Å; Y318-M380 HydrophobicContact CD2-CB 3.72Å; Y318-M380 HydrophobicContact CD2-CG 4.25Å; Y318-M380 HydrophobicContact CD2-SD 4.47Å; Y318-M380 HydrophobicContact CE1-CB 4.19Å; Y318-M380 HydrophobicContact CE1-CG 3.84Å; Y318-M380 HydrophobicContact CE1-SD 4.32Å; Y318-M380 HydrophobicContact CE2-CB 3.51Å; Y318-M380 HydrophobicContact CE2-CG 4.11Å; Y318-M380 HydrophobicContact CG-CB 4.16Å; Y318-M380 HydrophobicContact CG-CG 4.21Å; Y318-M380 HydrophobicContact CG-SD 3.97Å; P376-M380 PolarHBondContact O-N 3.19Å; L378-M380 VanDerWaalsContact C-N 3.29Å; L378-M380 PolarHBondContact O-N 2.93Å; M380-L383 WeakPolarHBondContact O-CB 3.29Å; M380-L383 PolarHBondContact O-N 3.16Å; M380-L383 HydrophobicContact SD-CD2 3.97Å; M380-C384 PolarHBondContact O-N 3Å |
| 381 | G | 89.6 | Confident | 87.8 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56.8 | -48.8 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y354 S377 L378 G379 C384 I385 | Y354-G381 VanDerWaalsContact CE2-C 3.45Å; S377-G381 PolarHBondContact O-N 3.19Å; S377-G381 VanDerWaalsContact O-N 3.15Å; L378-G381 WeakPolarHBondContact O-CA 3.31Å; L378-G381 PolarHBondContact O-N 2.87Å; L378-G381 VanDerWaalsContact O-N 3.07Å; G379-G381 VanDerWaalsContact C-N 3.34Å; G381-C384 PolarHBondContact O-N 3.03Å; G381-I385 WeakPolarHBondContact O-CG1 3.34Å; G381-I385 PolarHBondContact O-N 3.19Å; G381-I385 VanDerWaalsContact O-N 3.13Å |
| 382 | F | 89.8 | Confident | 87 | Confident | 1 Ų | 1 | 11.5 Ų | 11.5 | 0% | 0.004 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -66.8 | -35.2 | 176.2 | -65.5 | -22.3 | 0 | 0 | 0 | 113.1 | L357 Y361 L364 K369 T372 L378 G379 C384 I385 L386 L412 L417 | L357-F382 HydrophobicContact CB-CE1 4.4Å; Y361-F382 AromaticContact CD2-CD1 3.77Å; Y361-F382 HydrophobicContact CD2-CD1 3.77Å; Y361-F382 AromaticContact CD2-CE1 3.72Å; Y361-F382 HydrophobicContact CD2-CE1 3.72Å; Y361-F382 HydrophobicContact CD2-CZ 4.44Å; Y361-F382 AromaticContact CE2-CD1 3.75Å; Y361-F382 HydrophobicContact CE2-CD1 3.75Å; Y361-F382 HydrophobicContact CE2-CE1 4.1Å; Y361-F382 HydrophobicContact CE2-CG 4.12Å; L364-F382 HydrophobicContact CD1-CZ 4.26Å; K369-F382 HydrophobicContact CB-CE2 4.28Å; K369-F382 HydrophobicContact CG-CE2 4.5Å; T372-F382 VanDerWaalsContact OG1-CE2 3.29Å; T372-F382 WeakPolarHBondContact OG1-CE2 3.41Å; L378-F382 PolarHBondContact O-N 3.12Å; G379-F382 PolarHBondContact O-N 3.19Å; F382-C384 VanDerWaalsContact C-N 3.35Å; F382-C384 PolarHBondContact O-N 3.05Å; F382-I385 HydrophobicContact CD1-CD1 4.2Å; F382-I385 PolarHBondContact O-N 3.19Å; F382-L386 PolarHBondContact O-N 2.86Å; F382-L412 HydrophobicContact CB-CD2 4.28Å; F382-L412 HydrophobicContact CD2-CD2 4.46Å; F382-L417 HydrophobicContact CB-CD1 4.25Å; F382-L417 HydrophobicContact CB-CD2 4.31Å |
| 383 | L | 91.1 | Very high | 86.2 | Confident | 2 Ų | 2 | 11.5 Ų | 11.5 | 1% | 0.01 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -60 | -45.9 | 174.3 | 178.1 | 62.7 | 0 | 0 | 0 | 111.1 | G379 M380 I385 L386 I387 I414 L417 F421 | G379-L383 WeakPolarHBondContact O-CB 3.4Å; G379-L383 PolarHBondContact O-N 3.38Å; M380-L383 WeakPolarHBondContact O-CB 3.29Å; M380-L383 PolarHBondContact O-N 3.16Å; M380-L383 HydrophobicContact SD-CD2 3.97Å; L383-I385 PolarHBondContact O-N 3.42Å; L383-L386 PolarHBondContact O-N 2.97Å; L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.42Å; L383-I387 HydrophobicContact CG-CD1 3.88Å; L383-I387 VanDerWaalsContact O-CG1 3.28Å; L383-I387 WeakPolarHBondContact O-CG1 3.29Å; L383-I387 PolarHBondContact O-N 3.1Å; L383-I414 HydrophobicContact CD1-CG1 4.37Å; L383-I414 HydrophobicContact CD1-CG2 3.71Å; L383-L417 HydrophobicContact CB-CD1 3.94Å; L383-L417 HydrophobicContact CD1-CD1 4.26Å; L383-F421 HydrophobicContact CD2-CE2 4.13Å |
| 384 | C | 89.8 | Confident | 85.4 | Confident | 0 Ų | 0 | 13.8 Ų | 13.8 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -65.1 | -35.7 | 177.1 | -74.4 | 0 | 0 | 0 | 0 | 113.3 | L228 A229 M380 G381 F382 I387 G388 | L228-C384 HydrophobicContact CD2-CB 4.41Å; A229-C384 HydrophobicContact CB-CB 3.76Å; M380-C384 PolarHBondContact O-N 3Å; G381-C384 PolarHBondContact O-N 3.03Å; F382-C384 VanDerWaalsContact C-N 3.35Å; F382-C384 PolarHBondContact O-N 3.05Å; C384-I387 PolarHBondContact O-N 3.21Å; C384-G388 PolarHBondContact O-N 2.79Å |
| 385 | I | 86 | Confident | 84.8 | Confident | 8 Ų | 8 | 15.2 Ų | 15.2 | 4% | 0.041 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -61.1 | -48.5 | 173.7 | -68.7 | 171.8 | 0 | 0 | 0 | 110.1 | Y354 E358 Y361 G381 F382 L383 G388 Q389 | Y354-I385 HydrophobicContact CE2-CD1 4.05Å; E358-I385 HydrophobicContact CB-CD1 4.38Å; E358-I385 HydrophobicContact CG-CD1 3.97Å; Y361-I385 HydrophobicContact CD2-CD1 4.34Å; Y361-I385 HydrophobicContact CE1-CG2 4.42Å; G381-I385 WeakPolarHBondContact O-CG1 3.34Å; G381-I385 PolarHBondContact O-N 3.19Å; G381-I385 VanDerWaalsContact O-N 3.13Å; F382-I385 HydrophobicContact CD1-CD1 4.2Å; F382-I385 PolarHBondContact O-N 3.19Å; L383-I385 PolarHBondContact O-N 3.42Å; I385-G388 PolarHBondContact O-N 3.24Å; I385-Q389 HydrophobicContact CG2-CG 4.44Å; I385-Q389 WeakPolarHBondContact O-CG 3.18Å; I385-Q389 PolarHBondContact O-N 2.89Å |
| 386 | L | 86.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.3 | -43.1 | 178.3 | -68.5 | -177.9 | 0 | 0 | 0 | 112.1 | F382 L383 G388 Q389 F390 A406 L412 I414 L417 | F382-L386 PolarHBondContact O-N 2.86Å; L383-L386 PolarHBondContact O-N 2.97Å; L386-G388 VanDerWaalsContact C-N 3.31Å; L386-G388 PolarHBondContact O-N 2.99Å; L386-Q389 PolarHBondContact O-N 2.8Å; L386-F390 WeakPolarHBondContact O-CD2 3.47Å; L386-F390 PolarHBondContact O-N 3.24Å; L386-A406 HydrophobicContact CD2-CB 3.84Å; L386-L412 HydrophobicContact CD1-CD2 4.39Å; L386-L412 HydrophobicContact CD1-CG 4.27Å; L386-I414 HydrophobicContact CB-CD1 4.43Å; L386-I414 HydrophobicContact CB-CG1 4Å; L386-I414 HydrophobicContact CD1-CG1 3.96Å; L386-L417 HydrophobicContact CD1-CD1 3.71Å |
| 387 | I | 88.2 | Confident | 84.3 | Confident | 9 Ų | 9 | 12 Ų | 12 | 5% | 0.046 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -57.5 | -47.3 | 174.1 | -68.4 | 164.3 | 0 | 0 | 0 | 110.1 | L303 I311 L383 C384 Q389 F390 E391 V397 | L303-I387 HydrophobicContact CD1-CG2 4.01Å; L303-I387 HydrophobicContact CD2-CG2 3.69Å; I311-I387 HydrophobicContact CD1-CD1 3.96Å; I311-I387 HydrophobicContact CD1-CG1 4.27Å; L383-I387 HydrophobicContact CD1-CD1 4.17Å; L383-I387 HydrophobicContact CD1-CG1 4.42Å; L383-I387 HydrophobicContact CG-CD1 3.88Å; L383-I387 VanDerWaalsContact O-CG1 3.28Å; L383-I387 WeakPolarHBondContact O-CG1 3.29Å; L383-I387 PolarHBondContact O-N 3.1Å; C384-I387 PolarHBondContact O-N 3.21Å; I387-Q389 VanDerWaalsContact C-N 3.32Å; I387-Q389 PolarHBondContact O-N 3.26Å; I387-F390 PolarHBondContact O-N 3.42Å; I387-E391 WeakPolarHBondContact O-CB 3.27Å; I387-E391 PolarHBondContact O-N 3.44Å; I387-V397 HydrophobicContact CB-CG2 4.42Å; I387-V397 HydrophobicContact CG1-CG2 3.96Å; I387-V397 HydrophobicContact CG2-CG2 4.5Å |
| 388 | G | 83.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -64.6 | -32.7 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q225 C384 I385 L386 G392 | Q225-G388 PolarHBondContact NE2-O 3.38Å; C384-G388 PolarHBondContact O-N 2.79Å; I385-G388 PolarHBondContact O-N 3.24Å; L386-G388 VanDerWaalsContact C-N 3.31Å; L386-G388 PolarHBondContact O-N 2.99Å; G388-G392 PolarHBondContact O-N 3.36Å |
| 389 | Q | 79.1 | Confident | 84.1 | Confident | 38 Ų | 38 | 22.1 Ų | 22.1 | 18% | 0.178 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -71.6 | -45.1 | 174.7 | -74.7 | 177.2 | -10.4 | 0 | 0 | 111.9 | I385 L386 I387 G392 A393 A406 | I385-Q389 HydrophobicContact CG2-CG 4.44Å; I385-Q389 WeakPolarHBondContact O-CG 3.18Å; I385-Q389 PolarHBondContact O-N 2.89Å; L386-Q389 PolarHBondContact O-N 2.8Å; I387-Q389 VanDerWaalsContact C-N 3.32Å; I387-Q389 PolarHBondContact O-N 3.26Å; Q389-G392 PolarHBondContact O-N 3.43Å; Q389-A393 VanDerWaalsContact O-CB 3.26Å; Q389-A393 WeakPolarHBondContact O-CB 3.42Å; Q389-A393 PolarHBondContact O-N 3.08Å; Q389-A406 HydrophobicContact CB-CB 3.92Å; Q389-A406 VanDerWaalsContact OE1-CB 3.25Å |
| 390 | F | 82.5 | Confident | 83.8 | Confident | 6 Ų | 6 | 25.7 Ų | 25.7 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.1 | -40.3 | 176.8 | -80.2 | -63.5 | 0 | 0 | 0 | 112.8 | L386 I387 A393 G394 L395 G396 V397 K404 A406 I414 | L386-F390 WeakPolarHBondContact O-CD2 3.47Å; L386-F390 PolarHBondContact O-N 3.24Å; I387-F390 PolarHBondContact O-N 3.42Å; F390-A393 PolarHBondContact O-N 3.5Å; F390-G394 PolarHBondContact O-N 3.29Å; F390-L395 HydrophobicContact CD1-CB 4.36Å; F390-L395 HydrophobicContact CD1-CD1 4.35Å; F390-L395 PolarHBondContact O-N 3.04Å; F390-L395 VanDerWaalsContact O-N 3.08Å; F390-G396 PolarHBondContact O-N 3.45Å; F390-V397 HydrophobicContact CB-CG2 4.38Å; F390-V397 HydrophobicContact CD2-CG2 4.37Å; F390-K404 WeakPolarHBondContact CZ-O 3.46Å; F390-A406 HydrophobicContact CD2-CB 4.19Å; F390-A406 HydrophobicContact CE1-CB 4.23Å; F390-A406 HydrophobicContact CE2-CB 3.82Å; F390-A406 HydrophobicContact CZ-CB 3.84Å; F390-I414 HydrophobicContact CD2-CD1 3.79Å; F390-I414 HydrophobicContact CE2-CD1 3.77Å; F390-I414 HydrophobicContact CE2-CG1 4.18Å |
| 391 | E | 83.4 | Confident | 83.3 | Confident | 18 Ų | 18 | 26.1 Ų | 26.1 | 8% | 0.084 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -66.9 | -41.9 | 175.9 | -161.3 | 72.9 | -163.5 | 0 | 0 | 110.6 | L303 G304 L305 S306 I387 A393 G394 | L303-E391 HydrophobicContact CD2-CG 4.31Å; G304-E391 PolarHBondContact N-OE1 2.86Å; L305-E391 PolarHBondContact N-OE1 2.83Å; S306-E391 PolarHBondContact N-OE2 2.91Å; S306-E391 PolarHBondContact OG-OE2 2.84Å; I387-E391 WeakPolarHBondContact O-CB 3.27Å; I387-E391 PolarHBondContact O-N 3.44Å; E391-A393 VanDerWaalsContact C-N 3.34Å; E391-A393 PolarHBondContact O-N 2.74Å; E391-G394 PolarHBondContact O-N 3.13Å; E391-G394 VanDerWaalsContact O-N 3.16Å |
| 392 | G | 73 | Confident | 83.1 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 7% | 0.072 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -66 | -31.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | G388 Q389 G394 | G388-G392 PolarHBondContact O-N 3.36Å; Q389-G392 PolarHBondContact O-N 3.43Å; G392-G394 PolarHBondContact O-N 2.78Å |
| 393 | A | 69.8 | Low | 83 | Confident | 22 Ų | 22 | 34.1 Ų | 34.1 | 18% | 0.182 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -6.6 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q389 F390 E391 L395 F1039 | Q389-A393 VanDerWaalsContact O-CB 3.26Å; Q389-A393 WeakPolarHBondContact O-CB 3.42Å; Q389-A393 PolarHBondContact O-N 3.08Å; F390-A393 PolarHBondContact O-N 3.5Å; E391-A393 VanDerWaalsContact C-N 3.34Å; E391-A393 PolarHBondContact O-N 2.74Å; A393-L395 VanDerWaalsContact C-N 3.34Å; A393-F1039 HydrophobicContact CB-CD2 3.96Å; A393-F1039 HydrophobicContact CB-CE2 4.5Å |
| 394 | G | 71.9 | Confident | 82.5 | Confident | 48 Ų | 48 | 40.4 Ų | 40.4 | 50% | 0.495 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 78.9 | 11 | -179.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | F390 E391 G392 | F390-G394 PolarHBondContact O-N 3.29Å; E391-G394 PolarHBondContact O-N 3.13Å; E391-G394 VanDerWaalsContact O-N 3.16Å; G392-G394 PolarHBondContact O-N 2.78Å |
| 395 | L | 74.8 | Confident | 81.9 | Confident | 85 Ų | 85 | 43.2 Ų | 43.2 | 45% | 0.445 | 23% | 0.231 | S | C | . | . | trans | -93.9 | -37.7 | 177.6 | -69.2 | 168.7 | 0 | 0 | 0 | 112.1 | F390 A393 | F390-L395 HydrophobicContact CD1-CB 4.36Å; F390-L395 HydrophobicContact CD1-CD1 4.35Å; F390-L395 PolarHBondContact O-N 3.04Å; F390-L395 VanDerWaalsContact O-N 3.08Å; A393-L395 VanDerWaalsContact C-N 3.34Å | ||
| 396 | G | 81.8 | Confident | 81.1 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 23% | 0.232 | C | C | . | . | trans | 63.9 | 171.4 | -168.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | F390 Q398 | F390-G396 PolarHBondContact O-N 3.45Å; G396-Q398 PolarHBondContact O-N 3.34Å | ||
| 397 | V | 87.5 | Confident | 80.2 | Confident | 1 Ų | 1 | 44.6 Ų | 44.6 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -80.5 | 99.4 | 174.3 | -176.7 | 0 | 0 | 0 | 0 | 109.6 | S306 N307 L310 I387 F390 Y402 I414 | S306-V397 PolarHBondContact OG-N 2.97Å; N307-V397 PolarHBondContact N-O 3.29Å; L310-V397 HydrophobicContact CB-CG1 4.3Å; L310-V397 HydrophobicContact CD1-CG1 4.13Å; I387-V397 HydrophobicContact CB-CG2 4.42Å; I387-V397 HydrophobicContact CG1-CG2 3.96Å; I387-V397 HydrophobicContact CG2-CG2 4.5Å; F390-V397 HydrophobicContact CB-CG2 4.38Å; F390-V397 HydrophobicContact CD2-CG2 4.37Å; V397-Y402 HydrophobicContact CG1-CD2 4.43Å; V397-I414 HydrophobicContact CB-CD1 4.33Å; V397-I414 HydrophobicContact CG1-CD1 3.79Å; V397-I414 HydrophobicContact CG2-CD1 3.56Å |
| 398 | Q | 88.8 | Confident | 78.7 | Confident | 93 Ų | 93 | 47.1 Ų | 47.1 | 44% | 0.435 | 26% | 0.259 | S | S | . | . | trans | -117.4 | 164.2 | 175.3 | -60.5 | -168.7 | -13.1 | 0 | 0 | 110.8 | G396 S400 S401 Y402 | G396-Q398 PolarHBondContact O-N 3.34Å; Q398-S400 PolarHBondContact O-N 2.97Å; Q398-S401 PolarHBondContact O-N 3.05Å; Q398-Y402 PolarHBondContact O-N 3.12Å | ||
| 399 | F | 86.9 | Confident | 77.6 | Confident | 125 Ų | 125 | 52.9 Ų | 52.9 | 55% | 0.548 | 29% | 0.29 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | -31.5 | 178 | -71.6 | -77.8 | 0 | 0 | 0 | 113.2 | L310 | L310-F399 HydrophobicContact CD1-CD1 4.2Å; L310-F399 HydrophobicContact CD1-CD2 4.35Å; L310-F399 HydrophobicContact CD1-CE1 4.31Å; L310-F399 HydrophobicContact CD1-CE2 4.45Å; L310-F399 HydrophobicContact CD1-CG 4.23Å; L310-F399 HydrophobicContact CD1-CZ 4.43Å; L310-F399 HydrophobicContact CD2-CD1 4.1Å; L310-F399 HydrophobicContact CD2-CE1 3.64Å; L310-F399 HydrophobicContact CD2-CZ 4.05Å; L310-F399 HydrophobicContact CG-CE1 4.13Å; L310-F399 HydrophobicContact CG-CE2 4.48Å; L310-F399 HydrophobicContact CG-CZ 4.11Å |
| 400 | S | 83.1 | Confident | 77.2 | Confident | 76 Ų | 76 | 51.6 Ų | 51.6 | 53% | 0.531 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -31.4 | 175.6 | 51.6 | 0 | 0 | 0 | 0 | 113.5 | Q398 | Q398-S400 PolarHBondContact O-N 2.97Š|
| 401 | S | 82.4 | Confident | 77 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 7% | 0.07 | 31% | 0.312 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | -20 | -177.9 | -54.1 | 0 | 0 | 0 | 0 | 112.9 | Q398 F403 K404 | Q398-S401 PolarHBondContact O-N 3.05Å; S401-F403 PolarHBondContact O-N 3.03Å; S401-F403 VanDerWaalsContact O-N 3.16Å; S401-K404 PolarHBondContact O-N 2.93Å |
| 402 | Y | 85.6 | Confident | 77.1 | Confident | 32 Ų | 32 | 55.9 Ų | 55.9 | 13% | 0.125 | 31% | 0.308 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -32.9 | -173.3 | -171.3 | -101.7 | 0 | 0 | 0 | 114.5 | L310 V397 Q398 I414 H415 C418 | L310-Y402 HydrophobicContact CD1-CD2 4.45Å; L310-Y402 HydrophobicContact CD2-CD2 4.24Å; L310-Y402 HydrophobicContact CD2-CE2 4.3Å; V397-Y402 HydrophobicContact CG1-CD2 4.43Å; Q398-Y402 PolarHBondContact O-N 3.12Å; Y402-I414 HydrophobicContact CD2-CB 4.13Å; Y402-I414 HydrophobicContact CD2-CG2 3.78Å; Y402-I414 HydrophobicContact CE2-CB 4.16Å; Y402-I414 HydrophobicContact CE2-CG2 3.42Å; Y402-I414 VanDerWaalsContact CE2-CG2 3.42Å; Y402-H415 HydrophobicContact CD1-CB 3.66Å; Y402-H415 HydrophobicContact CE1-CB 3.28Å; Y402-H415 PolarHBondContact O-N 2.55Å; Y402-C418 VanDerWaalsContact OH-CB 3.31Å; Y402-C418 WeakPolarHBondContact OH-CB 3.35Å; Y402-C418 PolarHBondContact OH-SG 2.87Å |
| 403 | F | 86.4 | Confident | 77.9 | Confident | 136 Ų | 136 | 55.9 Ų | 55.9 | 60% | 0.596 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.7 | -2.6 | -179.6 | -64.1 | -80.4 | 0 | 0 | 0 | 114.1 | S401 H415 | S401-F403 PolarHBondContact O-N 3.03Å; S401-F403 VanDerWaalsContact O-N 3.16Å; F403-H415 HydrophobicContact CD1-CB 3.96Å; F403-H415 AromaticContact CD1-CG 3.72Å; F403-H415 AromaticContact CD1-ND1 3.88Å; F403-H415 HydrophobicContact CE1-CB 4.01Å |
| 404 | K | 80.4 | Confident | 78.9 | Confident | 134 Ų | 134 | 54.9 Ų | 54.9 | 58% | 0.583 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -104.6 | 149.8 | -178.1 | -64.1 | -176.8 | -178.1 | -179 | 0 | 110.3 | F390 S401 | F390-K404 WeakPolarHBondContact CZ-O 3.46Å; S401-K404 PolarHBondContact O-N 2.93Å |
| 405 | P | 77.1 | Confident | 79.8 | Confident | 59 Ų | 59 | 55.3 Ų | 55.3 | 38% | 0.383 | 29% | 0.287 | S | S | . | . | trans | -70.8 | 152.3 | 170.9 | 29.8 | -33.5 | 0 | 0 | 0 | 110.7 | D410 | P405-D410 WeakPolarHBondContact CB-O 3.3Š| ||
| 406 | A | 70.1 | Confident | 80.6 | Confident | 9 Ų | 9 | 53.3 Ų | 53.3 | 7% | 0.074 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -76.8 | -23.5 | -180 | 0 | 0 | 0 | 0 | 0 | 113 | L386 Q389 F390 F1039 | L386-A406 HydrophobicContact CD2-CB 3.84Å; Q389-A406 HydrophobicContact CB-CB 3.92Å; Q389-A406 VanDerWaalsContact OE1-CB 3.25Å; F390-A406 HydrophobicContact CD2-CB 4.19Å; F390-A406 HydrophobicContact CE1-CB 4.23Å; F390-A406 HydrophobicContact CE2-CB 3.82Å; F390-A406 HydrophobicContact CZ-CB 3.84Å; A406-F1039 VanDerWaalsContact O-CE1 3.28Å; A406-F1039 WeakPolarHBondContact O-CE1 3.37Å; A406-F1039 WeakPolarHBondContact O-CZ 3.43Å |
| 407 | S | 67.7 | Low | 81.1 | Confident | 29 Ų | 29 | 53.4 Ų | 53.4 | 20% | 0.203 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -131.8 | 142.1 | 175.4 | -177.8 | 0 | 0 | 0 | 0 | 110.2 | D409 D410 | S407-D409 PolarHBondContact O-N 2.97Å; S407-D410 PolarHBondContact O-N 3.37Å; S407-D410 VanDerWaalsContact O-O 3.12Å |
| 408 | P | 56.8 | Low | 81.4 | Confident | 61 Ų | 61 | 53.5 Ų | 53.5 | 40% | 0.396 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -22 | 176.8 | 26.5 | -37 | 0 | 0 | 0 | 113.5 | L1043 | P408-L1043 VanDerWaalsContact CD-CD1 3.48Å; P408-L1043 HydrophobicContact CG-CD1 3.75Å |
| 409 | D | 59.7 | Low | 81.6 | Confident | 121 Ų | 121 | 51.6 Ų | 51.6 | 65% | 0.647 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | -4.8 | 177.5 | -57.7 | -34.7 | 0 | 0 | 0 | 112.6 | S407 | S407-D409 PolarHBondContact O-N 2.97Š|
| 410 | D | 70.7 | Confident | 82 | Confident | 11 Ų | 11 | 47.8 Ų | 47.8 | 6% | 0.059 | 26% | 0.259 | C | S | . | . | trans | -109.1 | 138.4 | 176.7 | -157.9 | -8.2 | 0 | 0 | 0 | 111.7 | Y361 K369 P405 S407 L412 | Y361-D410 WeakPolarHBondContact CE1-OD2 3.49Å; Y361-D410 PolarHBondContact OH-OD2 2.8Å; K369-D410 IonicContact NZ-OD1 3.86Å; K369-D410 PolarHBondContact NZ-OD1 3.04Å; K369-D410 IonicContact NZ-OD2 3.82Å; K369-D410 PolarHBondContact NZ-OD2 2.92Å; P405-D410 WeakPolarHBondContact CB-O 3.3Å; S407-D410 PolarHBondContact O-N 3.37Å; S407-D410 VanDerWaalsContact O-O 3.12Å; D410-L412 PolarHBondContact OD1-N 2.85Å | ||
| 411 | N | 80 | Confident | 82.6 | Confident | 114 Ų | 114 | 44.2 Ų | 44.2 | 61% | 0.61 | 23% | 0.234 | S | C | * | . | trans | -98.5 | -6.7 | 177.3 | -63.6 | -31.2 | 0 | 0 | 0 | 112.2 | L366 | L366-N411 HydrophobicContact CB-CB 4.37Å; L366-N411 HydrophobicContact CD1-CB 4.23Å; L366-N411 HydrophobicContact CD2-CB 4.06Å; L366-N411 HydrophobicContact CG-CB 4.46Å | ||
| 412 | L | 84.7 | Confident | 83.2 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.251 | C | S | . | . | trans | -82.6 | 135.2 | -179.9 | -170.1 | 66.9 | 0 | 0 | 0 | 111.2 | Y361 L366 K369 L370 F382 L386 D410 L416 L417 | Y361-L412 HydrophobicContact CE2-CD2 4.31Å; L366-L412 HydrophobicContact CD1-CB 4.19Å; L366-L412 HydrophobicContact CD1-CD1 4.02Å; K369-L412 HydrophobicContact CB-CD2 4.4Å; K369-L412 HydrophobicContact CD-CB 4.2Å; K369-L412 HydrophobicContact CD-CD2 4.1Å; L370-L412 HydrophobicContact CD2-CD1 4.03Å; F382-L412 HydrophobicContact CB-CD2 4.28Å; F382-L412 HydrophobicContact CD2-CD2 4.46Å; L386-L412 HydrophobicContact CD1-CD2 4.39Å; L386-L412 HydrophobicContact CD1-CG 4.27Å; D410-L412 PolarHBondContact OD1-N 2.85Å; L412-L416 HydrophobicContact CD1-CD2 4.4Å; L412-L417 HydrophobicContact CD1-CD2 4.1Å; L412-L417 HydrophobicContact CD1-CG 4.34Å; L412-L417 HydrophobicContact CD2-CD1 4.44Å; L412-L417 HydrophobicContact CD2-CD2 4.09Å; L412-L417 HydrophobicContact CD2-CG 4.43Å; L412-L417 HydrophobicContact CG-CD2 4.45Å; L412-L417 HydrophobicContact CG-CG 4.48Å | ||
| 413 | S | 89.7 | Confident | 83.6 | Confident | 7 Ų | 7 | 51.3 Ų | 51.3 | 5% | 0.049 | 27% | 0.268 | C | S | . | . | trans | -134.9 | 159.8 | 179 | 53.8 | 0 | 0 | 0 | 0 | 110.8 | H415 L416 L417 | S413-H415 VanDerWaalsContact C-N 3.34Å; S413-H415 PolarHBondContact O-N 3.31Å; S413-H415 PolarHBondContact OG-CE1 3Å; S413-H415 PolarHBondContact OG-ND1 2.96Å; S413-L416 WeakPolarHBondContact O-CB 3.21Å; S413-L416 PolarHBondContact O-N 3.49Å; S413-L416 VanDerWaalsContact O-N 3.16Å; S413-L417 PolarHBondContact O-N 2.75Å | ||
| 414 | I | 90.9 | Very high | 83.9 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 1% | 0.005 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.2 | -39.5 | -171.1 | -64.2 | 175.9 | 0 | 0 | 0 | 111.6 | L383 L386 F390 V397 Y402 L416 L417 C418 | L383-I414 HydrophobicContact CD1-CG1 4.37Å; L383-I414 HydrophobicContact CD1-CG2 3.71Å; L386-I414 HydrophobicContact CB-CD1 4.43Å; L386-I414 HydrophobicContact CB-CG1 4Å; L386-I414 HydrophobicContact CD1-CG1 3.96Å; F390-I414 HydrophobicContact CD2-CD1 3.79Å; F390-I414 HydrophobicContact CE2-CD1 3.77Å; F390-I414 HydrophobicContact CE2-CG1 4.18Å; V397-I414 HydrophobicContact CB-CD1 4.33Å; V397-I414 HydrophobicContact CG1-CD1 3.79Å; V397-I414 HydrophobicContact CG2-CD1 3.56Å; Y402-I414 HydrophobicContact CD2-CB 4.13Å; Y402-I414 HydrophobicContact CD2-CG2 3.78Å; Y402-I414 HydrophobicContact CE2-CB 4.16Å; Y402-I414 HydrophobicContact CE2-CG2 3.42Å; Y402-I414 VanDerWaalsContact CE2-CG2 3.42Å; I414-L416 PolarHBondContact O-N 3.05Å; I414-L417 WeakPolarHBondContact O-CB 3.44Å; I414-L417 PolarHBondContact O-N 2.95Å; I414-L417 VanDerWaalsContact O-N 3.11Å; I414-C418 PolarHBondContact O-N 3.01Å |
| 415 | H | 90.7 | Very high | 84.6 | Confident | 57 Ų | 57 | 39 Ų | 39 | 26% | 0.264 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -59.5 | -34.5 | 178.2 | 80.6 | -83.5 | 0 | 0 | 0 | 113.2 | Y402 F403 S413 L417 C418 S419 | Y402-H415 HydrophobicContact CD1-CB 3.66Å; Y402-H415 HydrophobicContact CE1-CB 3.28Å; Y402-H415 PolarHBondContact O-N 2.55Å; F403-H415 HydrophobicContact CD1-CB 3.96Å; F403-H415 AromaticContact CD1-CG 3.72Å; F403-H415 AromaticContact CD1-ND1 3.88Å; F403-H415 HydrophobicContact CE1-CB 4.01Å; S413-H415 VanDerWaalsContact C-N 3.34Å; S413-H415 PolarHBondContact O-N 3.31Å; S413-H415 PolarHBondContact OG-CE1 3Å; S413-H415 PolarHBondContact OG-ND1 2.96Å; H415-L417 VanDerWaalsContact C-N 3.34Å; H415-C418 PolarHBondContact O-N 2.82Å; H415-S419 PolarHBondContact O-N 2.88Å; H415-S419 PolarHBondContact O-OG 2.79Å |
| 416 | L | 92.3 | Very high | 85.4 | Confident | 44 Ų | 44 | 40.5 Ų | 40.5 | 23% | 0.23 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -71.1 | -31.1 | 179.4 | -142.4 | 71.1 | 0 | 0 | 0 | 111.6 | L366 L370 L412 S413 I414 S419 M420 | L366-L416 HydrophobicContact CD1-CD2 4.16Å; L370-L416 HydrophobicContact CD1-CD2 3.93Å; L370-L416 HydrophobicContact CD2-CD2 3.85Å; L370-L416 HydrophobicContact CD2-CG 4.01Å; L370-L416 HydrophobicContact CG-CD2 4.36Å; L412-L416 HydrophobicContact CD1-CD2 4.4Å; S413-L416 WeakPolarHBondContact O-CB 3.21Å; S413-L416 PolarHBondContact O-N 3.49Å; S413-L416 VanDerWaalsContact O-N 3.16Å; I414-L416 PolarHBondContact O-N 3.05Å; L416-S419 WeakPolarHBondContact CA-OG 3.34Å; L416-S419 PolarHBondContact O-OG 2.8Å; L416-M420 VanDerWaalsContact O-CG 3.3Å; L416-M420 WeakPolarHBondContact O-CG 3.49Å; L416-M420 PolarHBondContact O-N 3.18Å |
| 417 | L | 92.6 | Very high | 86.5 | Confident | 1 Ų | 1 | 42.4 Ų | 42.4 | 1% | 0.005 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.7 | -45.1 | 172.3 | -66.8 | 175.7 | 0 | 0 | 0 | 111.4 | C373 F382 L383 L386 L412 S413 I414 H415 S419 M420 F421 | C373-L417 WeakPolarHBondContact SG-CD2 3.24Å; F382-L417 HydrophobicContact CB-CD1 4.25Å; F382-L417 HydrophobicContact CB-CD2 4.31Å; L383-L417 HydrophobicContact CB-CD1 3.94Å; L383-L417 HydrophobicContact CD1-CD1 4.26Å; L386-L417 HydrophobicContact CD1-CD1 3.71Å; L412-L417 HydrophobicContact CD1-CD2 4.1Å; L412-L417 HydrophobicContact CD1-CG 4.34Å; L412-L417 HydrophobicContact CD2-CD1 4.44Å; L412-L417 HydrophobicContact CD2-CD2 4.09Å; L412-L417 HydrophobicContact CD2-CG 4.43Å; L412-L417 HydrophobicContact CG-CD2 4.45Å; L412-L417 HydrophobicContact CG-CG 4.48Å; S413-L417 PolarHBondContact O-N 2.75Å; I414-L417 WeakPolarHBondContact O-CB 3.44Å; I414-L417 PolarHBondContact O-N 2.95Å; I414-L417 VanDerWaalsContact O-N 3.11Å; H415-L417 VanDerWaalsContact C-N 3.34Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 2.66Å; L417-M420 PolarHBondContact O-N 2.95Å; L417-F421 PolarHBondContact O-N 3.45Å |
| 418 | C | 93.2 | Very high | 87.7 | Confident | 4 Ų | 4 | 42 Ų | 42 | 3% | 0.027 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -63 | -37.3 | 177.1 | -69.9 | 0 | 0 | 0 | 0 | 112.4 | L317 Y402 I414 H415 F421 I422 | L317-C418 HydrophobicContact CD1-CB 3.88Å; Y402-C418 VanDerWaalsContact OH-CB 3.31Å; Y402-C418 WeakPolarHBondContact OH-CB 3.35Å; Y402-C418 PolarHBondContact OH-SG 2.87Å; I414-C418 PolarHBondContact O-N 3.01Å; H415-C418 PolarHBondContact O-N 2.82Å; C418-F421 PolarHBondContact O-N 2.75Å; C418-I422 WeakPolarHBondContact O-CG1 3.48Å; C418-I422 PolarHBondContact O-N 2.84Å |
| 419 | S | 93.2 | Very high | 89.3 | Confident | 52 Ų | 52 | 41.3 Ų | 41.3 | 36% | 0.364 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.9 | -37.4 | 174.3 | 64.5 | 0 | 0 | 0 | 0 | 112.1 | H415 L416 L417 I422 F423 | H415-S419 PolarHBondContact O-N 2.88Å; H415-S419 PolarHBondContact O-OG 2.79Å; L416-S419 WeakPolarHBondContact CA-OG 3.34Å; L416-S419 PolarHBondContact O-OG 2.8Å; L417-S419 VanDerWaalsContact C-N 3.31Å; L417-S419 PolarHBondContact O-N 2.66Å; S419-I422 PolarHBondContact O-N 3.25Å; S419-F423 PolarHBondContact O-N 2.91Å |
| 420 | M | 94.1 | Very high | 90.8 | Very high | 46 Ų | 46 | 40.8 Ų | 40.8 | 23% | 0.227 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.1 | -41.6 | 172.8 | -74.2 | -63 | 165.8 | 0 | 0 | 112.2 | L370 C373 L416 L417 I422 F423 D424 | L370-M420 HydrophobicContact CB-CE 4.14Å; L370-M420 HydrophobicContact CD1-CE 4.11Å; L370-M420 HydrophobicContact CD2-CE 3.91Å; L370-M420 HydrophobicContact CD2-CG 3.83Å; L370-M420 HydrophobicContact CG-CE 4.27Å; C373-M420 HydrophobicContact CB-CB 4.28Å; L416-M420 VanDerWaalsContact O-CG 3.3Å; L416-M420 WeakPolarHBondContact O-CG 3.49Å; L416-M420 PolarHBondContact O-N 3.18Å; L417-M420 PolarHBondContact O-N 2.95Å; M420-I422 VanDerWaalsContact C-N 3.28Å; M420-I422 PolarHBondContact O-N 3.47Å; M420-F423 WeakPolarHBondContact O-CB 3.39Å; M420-F423 PolarHBondContact O-N 2.75Å; M420-F423 VanDerWaalsContact O-N 3.11Å; M420-D424 WeakPolarHBondContact O-CB 3.17Å; M420-D424 PolarHBondContact O-N 3.35Å |
| 421 | F | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 43.4 Ų | 43.4 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -61.2 | -35.7 | 175.5 | -64.8 | -37.9 | 0 | 0 | 0 | 113.5 | L317 Y318 L383 L417 C418 S425 | L317-F421 HydrophobicContact CB-CB 4.24Å; L317-F421 HydrophobicContact CB-CD2 4.4Å; Y318-F421 HydrophobicContact CD2-CE1 4.11Å; Y318-F421 HydrophobicContact CD2-CZ 4.18Å; L383-F421 HydrophobicContact CD2-CE2 4.13Å; L417-F421 PolarHBondContact O-N 3.45Å; C418-F421 PolarHBondContact O-N 2.75Å; F421-S425 WeakPolarHBondContact O-CB 3.15Å; F421-S425 PolarHBondContact O-N 2.89Å; F421-S425 VanDerWaalsContact O-N 3.08Å; F421-S425 PolarHBondContact O-OG 2.96Å |
| 422 | I | 95 | Very high | 92.2 | Very high | 82 Ų | 82 | 38 Ų | 38 | 42% | 0.421 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -66.8 | -46.3 | 174.1 | -65.5 | 167.8 | 0 | 0 | 0 | 109.9 | L317 C418 S419 M420 S425 I426 | L317-I422 HydrophobicContact CD1-CD1 4.3Å; L317-I422 HydrophobicContact CD1-CG1 4.35Å; L317-I422 HydrophobicContact CD2-CD1 4.18Å; L317-I422 HydrophobicContact CD2-CG1 3.72Å; C418-I422 WeakPolarHBondContact O-CG1 3.48Å; C418-I422 PolarHBondContact O-N 2.84Å; S419-I422 PolarHBondContact O-N 3.25Å; M420-I422 VanDerWaalsContact C-N 3.28Å; M420-I422 PolarHBondContact O-N 3.47Å; I422-S425 PolarHBondContact O-N 2.99Å; I422-I426 HydrophobicContact CG2-CD1 4.07Å; I422-I426 WeakPolarHBondContact O-CG1 3.43Å; I422-I426 PolarHBondContact O-N 3.12Å; I422-I426 VanDerWaalsContact O-N 3.12Å |
| 423 | F | 95 | Very high | 92.3 | Very high | 110 Ų | 110 | 41.5 Ų | 41.5 | 48% | 0.482 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -58.3 | -49.7 | 177.6 | 179.2 | -101 | 0 | 0 | 0 | 111.7 | L374 S419 M420 S425 I426 V427 | L374-F423 HydrophobicContact CD2-CE1 4.39Å; S419-F423 PolarHBondContact O-N 2.91Å; M420-F423 WeakPolarHBondContact O-CB 3.39Å; M420-F423 PolarHBondContact O-N 2.75Å; M420-F423 VanDerWaalsContact O-N 3.11Å; F423-S425 VanDerWaalsContact C-N 3.31Å; F423-S425 PolarHBondContact O-N 2.92Å; F423-I426 PolarHBondContact O-N 2.7Å; F423-I426 VanDerWaalsContact O-N 3.16Å; F423-V427 HydrophobicContact CD1-CG2 4.15Å; F423-V427 HydrophobicContact CE1-CG2 3.75Å; F423-V427 HydrophobicContact CE2-CG2 4.14Å; F423-V427 HydrophobicContact CZ-CG2 3.74Å; F423-V427 WeakPolarHBondContact O-CG2 3.16Å; F423-V427 PolarHBondContact O-N 3.26Å |
| 424 | D | 93.4 | Very high | 92.2 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -55.9 | -45.6 | 176.4 | -67.9 | -15.4 | 0 | 0 | 0 | 111.7 | S321 C373 L374 M420 I426 V427 F428 | S321-D424 WeakPolarHBondContact OG-CB 3.3Å; C373-D424 VanDerWaalsContact O-OD2 3.05Å; L374-D424 WeakPolarHBondContact CA-OD1 3.39Å; M420-D424 WeakPolarHBondContact O-CB 3.17Å; M420-D424 PolarHBondContact O-N 3.35Å; D424-I426 VanDerWaalsContact C-N 3.29Å; D424-I426 PolarHBondContact O-N 2.96Å; D424-V427 PolarHBondContact O-N 3.17Å; D424-F428 HydrophobicContact CB-CD2 4.21Å; D424-F428 HydrophobicContact CB-CE2 3.88Å; D424-F428 WeakPolarHBondContact O-CD2 3.48Å; D424-F428 WeakPolarHBondContact O-CG 3.48Å; D424-F428 PolarHBondContact O-N 3.21Å |
| 425 | S | 93.6 | Very high | 92 | Very high | 10 Ų | 10 | 46.1 Ų | 46.1 | 7% | 0.07 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 179.8 | -59.2 | 0 | 0 | 0 | 0 | 112 | S321 T324 F421 I422 F423 L429 | S321-S425 VanDerWaalsContact CA-OG 3.31Å; S321-S425 WeakPolarHBondContact CA-OG 3.49Å; S321-S425 PolarHBondContact N-OG 3.45Å; T324-S425 WeakPolarHBondContact OG1-CA 3.43Å; F421-S425 WeakPolarHBondContact O-CB 3.15Å; F421-S425 PolarHBondContact O-N 2.89Å; F421-S425 VanDerWaalsContact O-N 3.08Å; F421-S425 PolarHBondContact O-OG 2.96Å; I422-S425 PolarHBondContact O-N 2.99Å; F423-S425 VanDerWaalsContact C-N 3.31Å; F423-S425 PolarHBondContact O-N 2.92Å; S425-L429 WeakPolarHBondContact O-CB 3.4Å; S425-L429 VanDerWaalsContact O-CG 3.29Å; S425-L429 WeakPolarHBondContact O-CG 3.46Å; S425-L429 PolarHBondContact O-N 2.61Å; S425-L429 VanDerWaalsContact O-N 3.09Å |
| 426 | I | 93.8 | Very high | 91.6 | Very high | 92 Ų | 92 | 43.7 Ų | 43.7 | 47% | 0.472 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -67.8 | -47.2 | 177.1 | -66.2 | 167.3 | 0 | 0 | 0 | 110.3 | I422 F423 D424 F428 L429 I430 | I422-I426 HydrophobicContact CG2-CD1 4.07Å; I422-I426 WeakPolarHBondContact O-CG1 3.43Å; I422-I426 PolarHBondContact O-N 3.12Å; I422-I426 VanDerWaalsContact O-N 3.12Å; F423-I426 PolarHBondContact O-N 2.7Å; F423-I426 VanDerWaalsContact O-N 3.16Å; D424-I426 VanDerWaalsContact C-N 3.29Å; D424-I426 PolarHBondContact O-N 2.96Å; I426-F428 PolarHBondContact O-N 3.16Å; I426-L429 PolarHBondContact O-N 3.36Å; I426-I430 HydrophobicContact CG2-CD1 3.79Å; I426-I430 HydrophobicContact CG2-CG1 4.47Å; I426-I430 WeakPolarHBondContact O-CG1 3.35Å; I426-I430 PolarHBondContact O-N 3.19Å |
| 427 | V | 93.5 | Very high | 91 | Very high | 49 Ų | 49 | 41.7 Ų | 41.7 | 30% | 0.297 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -58.7 | -46.8 | 179.3 | 171.1 | 0 | 0 | 0 | 0 | 110.9 | F423 D424 I430 L431 | F423-V427 HydrophobicContact CD1-CG2 4.15Å; F423-V427 HydrophobicContact CE1-CG2 3.75Å; F423-V427 HydrophobicContact CE2-CG2 4.14Å; F423-V427 HydrophobicContact CZ-CG2 3.74Å; F423-V427 WeakPolarHBondContact O-CG2 3.16Å; F423-V427 PolarHBondContact O-N 3.26Å; D424-V427 PolarHBondContact O-N 3.17Å; V427-I430 PolarHBondContact O-N 2.68Å; V427-L431 VanDerWaalsContact O-CB 3.32Å; V427-L431 WeakPolarHBondContact O-CB 3.37Å; V427-L431 PolarHBondContact O-N 3.27Å |
| 428 | F | 93.6 | Very high | 90.4 | Very high | 19 Ų | 19 | 43.7 Ų | 43.7 | 8% | 0.083 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -70.3 | -31.4 | -179.6 | -64.2 | -46 | 0 | 0 | 0 | 113.3 | F325 A328 P376 D424 I426 L431 T432 | F325-F428 HydrophobicContact CB-CD2 3.86Å; F325-F428 HydrophobicContact CB-CE2 3.93Å; F325-F428 HydrophobicContact CB-CG 4.34Å; F325-F428 HydrophobicContact CB-CZ 4.47Å; F325-F428 HydrophobicContact CD2-CD1 4.02Å; F325-F428 HydrophobicContact CD2-CD2 4.25Å; F325-F428 AromaticContact CD2-CE1 3.6Å; F325-F428 HydrophobicContact CD2-CE1 3.6Å; F325-F428 AromaticContact CD2-CE2 3.84Å; F325-F428 HydrophobicContact CD2-CE2 3.84Å; F325-F428 HydrophobicContact CD2-CG 4.35Å; F325-F428 AromaticContact CD2-CZ 3.51Å; F325-F428 HydrophobicContact CD2-CZ 3.51Å; F325-F428 HydrophobicContact CE2-CE1 4.15Å; F325-F428 HydrophobicContact CE2-CZ 4.17Å; F325-F428 HydrophobicContact CG-CE2 4.28Å; F325-F428 HydrophobicContact CG-CZ 4.37Å; A328-F428 HydrophobicContact CB-CB 4.4Å; A328-F428 HydrophobicContact CB-CD1 4.47Å; P376-F428 HydrophobicContact CG-CE2 4.04Å; D424-F428 HydrophobicContact CB-CD2 4.21Å; D424-F428 HydrophobicContact CB-CE2 3.88Å; D424-F428 WeakPolarHBondContact O-CD2 3.48Å; D424-F428 WeakPolarHBondContact O-CG 3.48Å; D424-F428 PolarHBondContact O-N 3.21Å; I426-F428 PolarHBondContact O-N 3.16Å; F428-L431 HydrophobicContact CD1-CD2 4.41Å; F428-L431 PolarHBondContact O-N 3.43Å; F428-T432 WeakPolarHBondContact O-CB 3.49Å; F428-T432 PolarHBondContact O-N 2.81Å; F428-T432 PolarHBondContact O-OG1 3.19Å |
| 429 | L | 91 | Very high | 89.6 | Confident | 47 Ų | 47 | 51.9 Ų | 51.9 | 25% | 0.246 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -67.2 | -43.4 | 171.6 | -78.4 | 169.5 | 0 | 0 | 0 | 112 | L274 T324 S425 I426 L431 T432 H433 | L274-L429 HydrophobicContact CD1-CD2 4.44Å; L274-L429 HydrophobicContact CD2-CD1 4.1Å; L274-L429 HydrophobicContact CD2-CD2 4.3Å; T324-L429 HydrophobicContact CG2-CD1 4.15Å; T324-L429 HydrophobicContact CG2-CD2 4.03Å; T324-L429 HydrophobicContact CG2-CG 3.78Å; S425-L429 WeakPolarHBondContact O-CB 3.4Å; S425-L429 VanDerWaalsContact O-CG 3.29Å; S425-L429 WeakPolarHBondContact O-CG 3.46Å; S425-L429 PolarHBondContact O-N 2.61Å; S425-L429 VanDerWaalsContact O-N 3.09Å; I426-L429 PolarHBondContact O-N 3.36Å; L429-L431 VanDerWaalsContact C-N 3.33Å; L429-T432 WeakPolarHBondContact O-CB 3.29Å; L429-T432 PolarHBondContact O-N 2.93Å; L429-H433 PolarHBondContact O-N 2.95Å |
| 430 | I | 90.4 | Very high | 88.3 | Confident | 110 Ų | 110 | 50.2 Ų | 50.2 | 56% | 0.564 | 24% | 0.243 | S | C | * | . | H | α-helix | trans | -61.7 | -45.3 | 174.5 | -67.8 | 168.6 | 0 | 0 | 0 | 109.9 | I426 V427 T432 H433 Y434 | I426-I430 HydrophobicContact CG2-CD1 3.79Å; I426-I430 HydrophobicContact CG2-CG1 4.47Å; I426-I430 WeakPolarHBondContact O-CG1 3.35Å; I426-I430 PolarHBondContact O-N 3.19Å; V427-I430 PolarHBondContact O-N 2.68Å; I430-T432 VanDerWaalsContact C-N 3.32Å; I430-T432 PolarHBondContact O-N 3.44Å; I430-H433 PolarHBondContact O-N 2.93Å; I430-Y434 VanDerWaalsContact O-CB 3.28Å; I430-Y434 WeakPolarHBondContact O-CB 3.41Å; I430-Y434 PolarHBondContact O-N 3.05Å |
| 431 | L | 90.3 | Very high | 86.9 | Confident | 67 Ų | 67 | 49.3 Ų | 49.3 | 35% | 0.351 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -61.1 | -41.2 | 177.3 | -172.4 | 66.8 | 0 | 0 | 0 | 111.6 | A328 V427 F428 L429 Y434 I435 | A328-L431 HydrophobicContact CB-CD2 4.15Å; V427-L431 VanDerWaalsContact O-CB 3.32Å; V427-L431 WeakPolarHBondContact O-CB 3.37Å; V427-L431 PolarHBondContact O-N 3.27Å; F428-L431 HydrophobicContact CD1-CD2 4.41Å; F428-L431 PolarHBondContact O-N 3.43Å; L429-L431 VanDerWaalsContact C-N 3.33Å; L431-Y434 PolarHBondContact O-N 3.3Å; L431-I435 HydrophobicContact CD1-CD1 3.79Å; L431-I435 HydrophobicContact CD1-CG1 4.03Å; L431-I435 HydrophobicContact CD2-CD1 4.23Å; L431-I435 HydrophobicContact CG-CD1 3.64Å; L431-I435 HydrophobicContact CG-CG1 4.21Å; L431-I435 WeakPolarHBondContact O-CB 3.27Å; L431-I435 VanDerWaalsContact O-CG1 3.29Å; L431-I435 WeakPolarHBondContact O-CG1 3.48Å; L431-I435 PolarHBondContact O-N 3.04Å |
| 432 | T | 89.9 | Confident | 85.1 | Confident | 1 Ų | 1 | 57.1 Ų | 57.1 | 1% | 0.006 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 175.9 | -61 | 0 | 0 | 0 | 0 | 110.9 | W270 F327 A328 T331 F428 L429 I430 S436 | W270-T432 HydrophobicContact CD2-CG2 3.62Å; W270-T432 HydrophobicContact CE3-CG2 3.7Å; W270-T432 HydrophobicContact CG-CG2 4.26Å; W270-T432 HydrophobicContact CH2-CG2 3.87Å; W270-T432 HydrophobicContact CZ2-CG2 3.78Å; W270-T432 HydrophobicContact CZ3-CG2 3.82Å; F327-T432 HydrophobicContact CB-CG2 4.25Å; A328-T432 VanDerWaalsContact CA-OG1 3.31Å; A328-T432 WeakPolarHBondContact CA-OG1 3.44Å; A328-T432 PolarHBondContact N-OG1 2.9Å; T331-T432 HydrophobicContact CG2-CG2 3.78Å; F428-T432 WeakPolarHBondContact O-CB 3.49Å; F428-T432 PolarHBondContact O-N 2.81Å; F428-T432 PolarHBondContact O-OG1 3.19Å; L429-T432 WeakPolarHBondContact O-CB 3.29Å; L429-T432 PolarHBondContact O-N 2.93Å; I430-T432 VanDerWaalsContact C-N 3.32Å; I430-T432 PolarHBondContact O-N 3.44Å; T432-S436 WeakPolarHBondContact O-CB 3.39Å; T432-S436 PolarHBondContact O-N 2.82Å; T432-S436 VanDerWaalsContact O-N 3.09Å |
| 433 | H | 86 | Confident | 83.4 | Confident | 72 Ų | 72 | 58.5 Ų | 58.5 | 33% | 0.333 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 177.3 | -173.3 | 61 | 0 | 0 | 0 | 111.7 | L429 I430 S436 A437 | L429-H433 PolarHBondContact O-N 2.95Å; I430-H433 PolarHBondContact O-N 2.93Å; H433-S436 PolarHBondContact O-N 2.93Å; H433-A437 WeakPolarHBondContact O-CB 3.49Å; H433-A437 PolarHBondContact O-N 3.44Å |
| 434 | Y | 88.4 | Confident | 81.8 | Confident | 76 Ų | 76 | 54.2 Ų | 54.2 | 30% | 0.298 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -53.6 | 179.9 | -180 | -99.5 | 0 | 0 | 0 | 112.3 | I430 L431 S436 A437 V438 W449 F451 P452 | I430-Y434 VanDerWaalsContact O-CB 3.28Å; I430-Y434 WeakPolarHBondContact O-CB 3.41Å; I430-Y434 PolarHBondContact O-N 3.05Å; L431-Y434 PolarHBondContact O-N 3.3Å; Y434-S436 VanDerWaalsContact C-N 3.29Å; Y434-S436 PolarHBondContact O-N 2.86Å; Y434-A437 PolarHBondContact O-N 3.23Å; Y434-V438 HydrophobicContact CD1-CG2 4.47Å; Y434-V438 HydrophobicContact CD2-CG2 4.2Å; Y434-V438 HydrophobicContact CE1-CG2 4.12Å; Y434-V438 HydrophobicContact CE2-CG2 3.82Å; Y434-V438 WeakPolarHBondContact O-CG2 3.41Å; Y434-V438 PolarHBondContact O-N 2.94Å; Y434-W449 WeakPolarHBondContact CE2-O 3.36Å; Y434-W449 PolarHBondContact OH-O 2.98Å; Y434-F451 AromaticContact CD2-CE1 3.73Å; Y434-F451 HydrophobicContact CD2-CE1 3.73Å; Y434-F451 HydrophobicContact CD2-CZ 4.37Å; Y434-F451 HydrophobicContact CE2-CD1 4.45Å; Y434-F451 HydrophobicContact CE2-CE1 4.08Å; Y434-P452 HydrophobicContact CD2-CG 3.99Å; Y434-P452 HydrophobicContact CE2-CG 4.01Å |
| 435 | I | 86.7 | Confident | 80.3 | Confident | 29 Ų | 29 | 57.7 Ų | 57.7 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.2 | -39.5 | -179.5 | -64 | 172.4 | 0 | 0 | 0 | 110.3 | T331 L332 L431 A437 V438 W439 | T331-I435 VanDerWaalsContact OG1-CG2 3.26Å; T331-I435 WeakPolarHBondContact OG1-CG2 3.29Å; L332-I435 HydrophobicContact CD2-CD1 4.29Å; L332-I435 HydrophobicContact CD2-CG2 4.16Å; L431-I435 HydrophobicContact CD1-CD1 3.79Å; L431-I435 HydrophobicContact CD1-CG1 4.03Å; L431-I435 HydrophobicContact CD2-CD1 4.23Å; L431-I435 HydrophobicContact CG-CD1 3.64Å; L431-I435 HydrophobicContact CG-CG1 4.21Å; L431-I435 WeakPolarHBondContact O-CB 3.27Å; L431-I435 VanDerWaalsContact O-CG1 3.29Å; L431-I435 WeakPolarHBondContact O-CG1 3.48Å; L431-I435 PolarHBondContact O-N 3.04Å; I435-A437 VanDerWaalsContact C-N 3.3Å; I435-A437 PolarHBondContact O-N 3.01Å; I435-V438 PolarHBondContact O-N 2.86Å; I435-W439 WeakPolarHBondContact O-CA 3.41Å; I435-W439 PolarHBondContact O-N 3.4Å |
| 436 | S | 82.5 | Confident | 79.1 | Confident | 6 Ų | 6 | 61.2 Ų | 61.2 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.1 | -35.3 | 178.9 | -172 | 0 | 0 | 0 | 0 | 112.6 | K256 E266 T432 H433 Y434 | K256-S436 PolarHBondContact NZ-OG 2.96Å; E266-S436 VanDerWaalsContact OE1-CB 3.27Å; E266-S436 WeakPolarHBondContact OE1-CB 3.46Å; E266-S436 PolarHBondContact OE1-OG 3.24Å; T432-S436 WeakPolarHBondContact O-CB 3.39Å; T432-S436 PolarHBondContact O-N 2.82Å; T432-S436 VanDerWaalsContact O-N 3.09Å; H433-S436 PolarHBondContact O-N 2.93Å; Y434-S436 VanDerWaalsContact C-N 3.29Å; Y434-S436 PolarHBondContact O-N 2.86Å |
| 437 | A | 79.2 | Confident | 78.1 | Confident | 3 Ų | 3 | 61.5 Ų | 61.5 | 3% | 0.025 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.3 | -36.4 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | H433 Y434 I435 K447 F451 | H433-A437 WeakPolarHBondContact O-CB 3.49Å; H433-A437 PolarHBondContact O-N 3.44Å; Y434-A437 PolarHBondContact O-N 3.23Å; I435-A437 VanDerWaalsContact C-N 3.3Å; I435-A437 PolarHBondContact O-N 3.01Å; A437-K447 HydrophobicContact CB-CD 4.29Å; A437-K447 PolarHBondContact O-N 3.46Å; A437-F451 HydrophobicContact CB-CE1 3.82Å; A437-F451 HydrophobicContact CB-CZ 3.85Å |
| 438 | V | 80.7 | Confident | 77.1 | Confident | 42 Ų | 42 | 61.7 Ų | 61.7 | 26% | 0.255 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -80.8 | -37.5 | 180 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | Y434 I435 P440 P446 F451 | Y434-V438 HydrophobicContact CD1-CG2 4.47Å; Y434-V438 HydrophobicContact CD2-CG2 4.2Å; Y434-V438 HydrophobicContact CE1-CG2 4.12Å; Y434-V438 HydrophobicContact CE2-CG2 3.82Å; Y434-V438 WeakPolarHBondContact O-CG2 3.41Å; Y434-V438 PolarHBondContact O-N 2.94Å; I435-V438 PolarHBondContact O-N 2.86Å; V438-P440 VanDerWaalsContact O-CD 3.31Å; V438-P440 WeakPolarHBondContact O-CD 3.35Å; V438-P446 WeakPolarHBondContact O-CB 3.38Å; V438-F451 HydrophobicContact CG2-CD1 4.03Å; V438-F451 HydrophobicContact CG2-CE1 3.97Å |
| 439 | W | 75.8 | Confident | 76.3 | Confident | 177 Ų | 177 | 69.2 Ų | 69.2 | 67% | 0.67 | 34% | 0.335 | S | S | * | . | S | Bend | trans | -121.7 | 68.6 | 179.3 | -159.4 | -6.1 | 0 | 0 | 0 | 112 | I435 G441 | I435-W439 WeakPolarHBondContact O-CA 3.41Å; I435-W439 PolarHBondContact O-N 3.4Å; W439-G441 PolarHBondContact O-N 3.29Å |
| 440 | P | 66.2 | Low | 75.8 | Confident | 17 Ų | 17 | 72.2 Ų | 72.2 | 11% | 0.11 | 34% | 0.344 | C | S | . | . | trans | -74.5 | 75 | 177.4 | 32.5 | -35.2 | 0 | 0 | 0 | 110.6 | V438 K442 Y443 P446 | V438-P440 VanDerWaalsContact O-CD 3.31Å; V438-P440 WeakPolarHBondContact O-CD 3.35Å; P440-K442 PolarHBondContact O-N 3.48Å; P440-Y443 CarbonylContact O-C 3.59Å; P440-Y443 PolarHBondContact O-N 2.95Å; P440-P446 HydrophobicContact CG-CB 4.17Å | ||
| 441 | G | 64.5 | Low | 75.1 | Confident | 26 Ų | 26 | 68.4 Ų | 68.4 | 27% | 0.268 | 32% | 0.323 | S | S | . | . | S | Bend | trans | 40.2 | -128.3 | 166.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | W439 | W439-G441 PolarHBondContact O-N 3.29Š|
| 442 | K | 57.5 | Low | 74.1 | Confident | 164 Ų | 164 | 67.9 Ų | 67.9 | 71% | 0.713 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -95.1 | -11.9 | 174.8 | -73 | -176 | 176.5 | -177.8 | 0 | 113.3 | P440 | P440-K442 PolarHBondContact O-N 3.48Š|
| 443 | Y | 59.3 | Low | 73.1 | Confident | 112 Ų | 112 | 74.3 Ų | 74.3 | 44% | 0.439 | 35% | 0.352 | S | S | . | . | S | Bend | trans | -143.2 | 138.3 | -167.6 | -56.9 | -71.1 | 0 | 0 | 0 | 108.6 | P440 | P440-Y443 CarbonylContact O-C 3.59Å; P440-Y443 PolarHBondContact O-N 2.95Å |
| 444 | G | 61.3 | Low | 72 | Confident | 19 Ų | 19 | 74.2 Ų | 74.2 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | S | Bend | trans | 113 | 156.7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | P446 | G444-P446 VanDerWaalsContact O-CD 3.31Å; G444-P446 WeakPolarHBondContact O-CD 3.42Å |
| 445 | I | 62.7 | Low | 70.5 | Confident | 73 Ų | 73 | 75.3 Ų | 75.3 | 37% | 0.374 | 37% | 0.371 | S | S | . | . | trans | -87 | 110.2 | -174.7 | -47.9 | -173.1 | 0 | 0 | 0 | 108.7 | K447 P614 | I445-K447 PolarHBondContact O-N 3.26Å; I445-P614 HydrophobicContact CD1-CB 4.24Å; I445-P614 HydrophobicContact CG2-CB 4.39Å; I445-P614 HydrophobicContact CG2-CG 3.99Å | ||
| 446 | P | 68.4 | Low | 68.6 | Low | 84 Ų | 84 | 80.3 Ų | 80.3 | 55% | 0.545 | 40% | 0.397 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 123.3 | 178.3 | 26.5 | -32.5 | 0 | 0 | 0 | 109.3 | V438 P440 G444 | V438-P446 WeakPolarHBondContact O-CB 3.38Å; P440-P446 HydrophobicContact CG-CB 4.17Å; G444-P446 VanDerWaalsContact O-CD 3.31Å; G444-P446 WeakPolarHBondContact O-CD 3.42Å |
| 447 | K | 71.8 | Confident | 66.7 | Low | 98 Ų | 98 | 88.2 Ų | 88.2 | 43% | 0.426 | 43% | 0.427 | S | S | . | . | P | Polyproline II helix | trans | -74.3 | 146.4 | 171.3 | -65.3 | -170.2 | -177.2 | 175.2 | 0 | 109.4 | A437 I445 F451 | A437-K447 HydrophobicContact CB-CD 4.29Å; A437-K447 PolarHBondContact O-N 3.46Å; I445-K447 PolarHBondContact O-N 3.26Å; K447-F451 HydrophobicContact CB-CB 3.8Å; K447-F451 HydrophobicContact CB-CD1 3.73Å; K447-F451 HydrophobicContact CB-CE1 4.5Å; K447-F451 HydrophobicContact CB-CG 3.76Å; K447-F451 HydrophobicContact CD-CB 4.32Å; K447-F451 HydrophobicContact CD-CD1 4.32Å; K447-F451 HydrophobicContact CD-CD2 3.78Å; K447-F451 HydrophobicContact CD-CE2 4.18Å; K447-F451 HydrophobicContact CD-CG 3.88Å; K447-F451 HydrophobicContact CG-CG 4.45Å |
| 448 | P | 73.2 | Confident | 64.9 | Low | 54 Ų | 54 | 97.1 Ų | 97.1 | 35% | 0.351 | 46% | 0.46 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 151.3 | 176.4 | 24 | -33.1 | 0 | 0 | 0 | 110.7 | Y450 F451 L454 | P448-Y450 HydrophobicContact CB-CD1 4.04Å; P448-Y450 HydrophobicContact CB-CE1 3.7Å; P448-Y450 HydrophobicContact CB-CE2 4.32Å; P448-Y450 HydrophobicContact CB-CG 4.48Å; P448-Y450 HydrophobicContact CG-CE2 4.39Å; P448-Y450 PolarHBondContact O-N 3.03Å; P448-F451 HydrophobicContact CG-CB 4.16Å; P448-F451 VanDerWaalsContact O-CB 3.3Å; P448-F451 WeakPolarHBondContact O-CB 3.45Å; P448-F451 WeakPolarHBondContact O-CD1 3.36Å; P448-F451 PolarHBondContact O-N 3.38Å; P448-L454 HydrophobicContact CG-CD1 3.6Å |
| 449 | W | 76.4 | Confident | 62.8 | Low | 177 Ų | 177 | 105.2 Ų | 105.2 | 67% | 0.67 | 49% | 0.486 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.9 | -24.8 | -176.8 | 65.5 | -94 | 0 | 0 | 0 | 113.3 | Y434 | Y434-W449 WeakPolarHBondContact CE2-O 3.36Å; Y434-W449 PolarHBondContact OH-O 2.98Å |
| 450 | Y | 80.5 | Confident | 60.9 | Low | 110 Ų | 110 | 104.9 Ų | 104.9 | 43% | 0.431 | 49% | 0.49 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.1 | 13.1 | 176.5 | 58.2 | -88.2 | 0 | 0 | 0 | 114.3 | P448 P452 F453 L454 | P448-Y450 HydrophobicContact CB-CD1 4.04Å; P448-Y450 HydrophobicContact CB-CE1 3.7Å; P448-Y450 HydrophobicContact CB-CE2 4.32Å; P448-Y450 HydrophobicContact CB-CG 4.48Å; P448-Y450 HydrophobicContact CG-CE2 4.39Å; P448-Y450 PolarHBondContact O-N 3.03Å; Y450-P452 VanDerWaalsContact C-N 3.31Å; Y450-F453 WeakPolarHBondContact O-CB 3.36Å; Y450-F453 PolarHBondContact O-N 3.15Å; Y450-L454 HydrophobicContact CD2-CD1 3.45Å; Y450-L454 VanDerWaalsContact CD2-CD1 3.45Å; Y450-L454 HydrophobicContact CD2-CG 4.08Å; Y450-L454 HydrophobicContact CE2-CD1 3.34Å; Y450-L454 HydrophobicContact CE2-CG 4.07Å; Y450-L454 PolarHBondContact O-N 2.81Å |
| 451 | F | 77.1 | Confident | 59.5 | Low | 30 Ų | 30 | 108.8 Ų | 108.8 | 13% | 0.132 | 51% | 0.509 | C | S | . | . | H | α-helix | trans | -54.7 | -32.3 | -179.5 | 91 | -94.8 | 0 | 0 | 0 | 115.8 | Y434 A437 V438 K447 P448 F453 L454 | Y434-F451 AromaticContact CD2-CE1 3.73Å; Y434-F451 HydrophobicContact CD2-CE1 3.73Å; Y434-F451 HydrophobicContact CD2-CZ 4.37Å; Y434-F451 HydrophobicContact CE2-CD1 4.45Å; Y434-F451 HydrophobicContact CE2-CE1 4.08Å; A437-F451 HydrophobicContact CB-CE1 3.82Å; A437-F451 HydrophobicContact CB-CZ 3.85Å; V438-F451 HydrophobicContact CG2-CD1 4.03Å; V438-F451 HydrophobicContact CG2-CE1 3.97Å; K447-F451 HydrophobicContact CB-CB 3.8Å; K447-F451 HydrophobicContact CB-CD1 3.73Å; K447-F451 HydrophobicContact CB-CE1 4.5Å; K447-F451 HydrophobicContact CB-CG 3.76Å; K447-F451 HydrophobicContact CD-CB 4.32Å; K447-F451 HydrophobicContact CD-CD1 4.32Å; K447-F451 HydrophobicContact CD-CD2 3.78Å; K447-F451 HydrophobicContact CD-CE2 4.18Å; K447-F451 HydrophobicContact CD-CG 3.88Å; K447-F451 HydrophobicContact CG-CG 4.45Å; P448-F451 HydrophobicContact CG-CB 4.16Å; P448-F451 VanDerWaalsContact O-CB 3.3Å; P448-F451 WeakPolarHBondContact O-CB 3.45Å; P448-F451 WeakPolarHBondContact O-CD1 3.36Å; P448-F451 PolarHBondContact O-N 3.38Å; F451-F453 PolarHBondContact O-N 3.4Å; F451-L454 WeakPolarHBondContact O-CB 3.47Å; F451-L454 PolarHBondContact O-N 3.34Å |
| 452 | P | 68.7 | Low | 58 | Low | 55 Ų | 55 | 111.4 Ų | 111.4 | 36% | 0.357 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.6 | -30.9 | 176.9 | -21.5 | 34.9 | 0 | 0 | 0 | 111.7 | Y434 Y450 | Y434-P452 HydrophobicContact CD2-CG 3.99Å; Y434-P452 HydrophobicContact CE2-CG 4.01Å; Y450-P452 VanDerWaalsContact C-N 3.31Å |
| 453 | F | 69.1 | Low | 57 | Low | 136 Ų | 136 | 111.1 Ų | 111.1 | 60% | 0.596 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -83 | -22.3 | 178 | -52.8 | -72.3 | 0 | 0 | 0 | 112.6 | Y450 F451 C455 L456 Y457 | Y450-F453 WeakPolarHBondContact O-CB 3.36Å; Y450-F453 PolarHBondContact O-N 3.15Å; F451-F453 PolarHBondContact O-N 3.4Å; F453-C455 VanDerWaalsContact C-N 3.27Å; F453-C455 PolarHBondContact O-N 2.97Å; F453-L456 WeakPolarHBondContact O-CB 3.3Å; F453-L456 PolarHBondContact O-N 3Å; F453-L456 VanDerWaalsContact O-N 3.13Å; F453-Y457 PolarHBondContact O-N 3.35Å |
| 454 | L | 62.7 | Low | 55.8 | Low | 70 Ų | 70 | 112.8 Ų | 112.8 | 37% | 0.366 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.9 | -31.6 | 171.8 | -98.2 | 138.9 | 0 | 0 | 0 | 112.4 | P448 Y450 F451 L456 Y457 R458 | P448-L454 HydrophobicContact CG-CD1 3.6Å; Y450-L454 HydrophobicContact CD2-CD1 3.45Å; Y450-L454 VanDerWaalsContact CD2-CD1 3.45Å; Y450-L454 HydrophobicContact CD2-CG 4.08Å; Y450-L454 HydrophobicContact CE2-CD1 3.34Å; Y450-L454 HydrophobicContact CE2-CG 4.07Å; Y450-L454 PolarHBondContact O-N 2.81Å; F451-L454 WeakPolarHBondContact O-CB 3.47Å; F451-L454 PolarHBondContact O-N 3.34Å; L454-L456 PolarHBondContact O-N 2.91Å; L454-Y457 PolarHBondContact O-N 3.24Å; L454-Y457 VanDerWaalsContact O-N 3.09Å; L454-R458 PolarHBondContact O-N 3.44Å |
| 455 | C | 56.3 | Low | 54.6 | Low | 99 Ų | 99 | 116.8 Ų | 116.8 | 67% | 0.669 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -61.6 | -32.2 | 173.5 | -99 | 0 | 0 | 0 | 0 | 112.7 | F453 | F453-C455 VanDerWaalsContact C-N 3.27Å; F453-C455 PolarHBondContact O-N 2.97Å |
| 456 | L | 47.9 | Very low | 53.3 | Low | 135 Ų | 135 | 120.3 Ų | 120.3 | 71% | 0.707 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -73 | -30.1 | 174.4 | -77.8 | 154.8 | 0 | 0 | 0 | 111.9 | F453 L454 | F453-L456 WeakPolarHBondContact O-CB 3.3Å; F453-L456 PolarHBondContact O-N 3Å; F453-L456 VanDerWaalsContact O-N 3.13Å; L454-L456 PolarHBondContact O-N 2.91Å |
| 457 | Y | 41.5 | Very low | 51.7 | Low | 171 Ų | 171 | 122.7 Ų | 122.7 | 67% | 0.671 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -80.6 | -38.2 | 177.4 | -153.4 | -94.6 | 0 | 0 | 0 | 112.7 | F453 L454 R459 K460 L461 | F453-Y457 PolarHBondContact O-N 3.35Å; L454-Y457 PolarHBondContact O-N 3.24Å; L454-Y457 VanDerWaalsContact O-N 3.09Å; Y457-R459 VanDerWaalsContact C-N 3.27Å; Y457-R459 PolarHBondContact O-N 2.96Å; Y457-K460 WeakPolarHBondContact O-CB 3.37Å; Y457-K460 PolarHBondContact O-N 3.28Å; Y457-K460 VanDerWaalsContact O-N 3.08Å; Y457-L461 PolarHBondContact O-N 2.89Å |
| 458 | R | 41 | Very low | 49.8 | Very low | 190 Ų | 190 | 125 Ų | 125 | 72% | 0.717 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -63.3 | -32 | 179.7 | -128.7 | -179.6 | -171.5 | -171.6 | 0.8 | 112.6 | L454 K460 L461 T462 | L454-R458 PolarHBondContact O-N 3.44Å; R458-K460 PolarHBondContact O-N 3.37Å; R458-L461 PolarHBondContact O-N 3.09Å; R458-T462 PolarHBondContact O-N 3.22Å; R458-T462 PolarHBondContact O-OG1 3.41Å; R458-T462 VanDerWaalsContact O-OG1 3.07Å |
| 459 | R | 38 | Very low | 47.7 | Very low | 213 Ų | 213 | 129.4 Ų | 129.4 | 80% | 0.804 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -68.1 | -20.3 | 176.7 | -142 | 177.9 | -171.3 | -178.3 | 1.9 | 113.3 | Y457 T462 | Y457-R459 VanDerWaalsContact C-N 3.27Å; Y457-R459 PolarHBondContact O-N 2.96Å; R459-T462 PolarHBondContact O-OG1 2.89Å |
| 460 | K | 35.7 | Very low | 45.4 | Very low | 170 Ų | 170 | 128.7 Ų | 128.7 | 74% | 0.739 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -82.6 | -35.6 | 172.2 | -112.8 | -176 | 176.6 | -173.2 | 0 | 112.2 | Y457 R458 | Y457-K460 WeakPolarHBondContact O-CB 3.37Å; Y457-K460 PolarHBondContact O-N 3.28Å; Y457-K460 VanDerWaalsContact O-N 3.08Å; R458-K460 PolarHBondContact O-N 3.37Å |
| 461 | L | 36.1 | Very low | 43 | Very low | 98 Ų | 98 | 133.3 Ų | 133.3 | 51% | 0.513 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -79.4 | -26.9 | -178.9 | -146.2 | 79.7 | 0 | 0 | 0 | 113.2 | Y457 R458 F463 E464 V465 | Y457-L461 PolarHBondContact O-N 2.89Å; R458-L461 PolarHBondContact O-N 3.09Å; L461-F463 PolarHBondContact O-N 2.93Å; L461-E464 PolarHBondContact O-N 3.42Å; L461-V465 PolarHBondContact O-N 2.86Å |
| 462 | T | 33.6 | Very low | 40.8 | Very low | 82 Ų | 82 | 137 Ų | 137 | 50% | 0.503 | 67% | 0.672 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -6 | 176.3 | 46.7 | 0 | 0 | 0 | 0 | 114.3 | R458 R459 | R458-T462 PolarHBondContact O-N 3.22Å; R458-T462 PolarHBondContact O-OG1 3.41Å; R458-T462 VanDerWaalsContact O-OG1 3.07Å; R459-T462 PolarHBondContact O-OG1 2.89Å |
| 463 | F | 35.7 | Very low | 38.8 | Very low | 158 Ų | 158 | 141.1 Ų | 141.1 | 69% | 0.693 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -21 | 174.3 | -147.9 | -93.4 | 0 | 0 | 0 | 112.7 | L461 | L461-F463 PolarHBondContact O-N 2.93Š|
| 464 | E | 34.9 | Very low | 36.8 | Very low | 146 Ų | 146 | 143 Ų | 143 | 68% | 0.682 | 70% | 0.702 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.1 | -25.8 | 173.3 | -83.2 | 176.2 | 157.8 | 0 | 0 | 112.7 | L461 | L461-E464 PolarHBondContact O-N 3.42Š|
| 465 | V | 36.1 | Very low | 35.1 | Very low | 103 Ų | 103 | 147 Ų | 147 | 62% | 0.624 | 72% | 0.723 | S | S | * | * | G | 310 helix | trans | -83.1 | -15 | 177.2 | -179.7 | 0 | 0 | 0 | 0 | 112.7 | L461 L467 | L461-V465 PolarHBondContact O-N 2.86Å; V465-L467 VanDerWaalsContact C-N 3.33Å; V465-L467 PolarHBondContact O-N 3.1Å |
| 466 | L | 34.7 | Very low | 33.7 | Very low | 148 Ų | 148 | 147.9 Ų | 147.9 | 78% | 0.775 | 73% | 0.726 | S | S | * | * | G | 310 helix | trans | -88.4 | 4.5 | 180 | -137 | 102.7 | 0 | 0 | 0 | 114 | ||
| 467 | L | 34.6 | Very low | 32.7 | Very low | 133 Ų | 133 | 151.8 Ų | 151.8 | 70% | 0.696 | 73% | 0.731 | S | S | * | * | G | 310 helix | trans | -111.1 | -2.1 | -177 | -107.7 | 151.5 | 0 | 0 | 0 | 114.3 | V465 | V465-L467 VanDerWaalsContact C-N 3.33Å; V465-L467 PolarHBondContact O-N 3.1Å |
| 468 | D | 32 | Very low | 32 | Very low | 147 Ų | 147 | 149.8 Ų | 149.8 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | S | Bend | trans | -100.4 | -5.7 | 177.2 | -88 | -19.6 | 0 | 0 | 0 | 114.6 | ||
| 469 | D | 28.3 | Very low | 31.4 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 73% | 0.732 | S | S | * | * | trans | -109.4 | 58.2 | -179.4 | -80.2 | -29.8 | 0 | 0 | 0 | 112.9 | ||||
| 470 | L | 28.7 | Very low | 30.9 | Very low | 161 Ų | 161 | 143.9 Ų | 143.9 | 84% | 0.843 | 73% | 0.73 | S | S | * | * | trans | -145.2 | 84.3 | 165.9 | -84 | 172.8 | 0 | 0 | 0 | 111.9 | ||||
| 471 | K | 30.1 | Very low | 30.6 | Very low | 208 Ų | 208 | 143.9 Ų | 143.9 | 90% | 0.904 | 73% | 0.732 | S | S | * | * | trans | -169.2 | 150.8 | 131.7 | -103.9 | 171.6 | -170.8 | -177.7 | 0 | 112.8 | ||||
| 472 | P | 30.2 | Very low | 30.1 | Very low | 106 Ų | 106 | 144.2 Ų | 144.2 | 69% | 0.688 | 74% | 0.739 | S | S | * | * | trans | -105.1 | 163.1 | -164 | 39.3 | -30.5 | 0 | 0 | 0 | 114.9 | ||||
| 473 | N | 27.8 | Very low | 29.7 | Very low | 143 Ų | 143 | 147 Ų | 147 | 77% | 0.765 | 76% | 0.755 | S | S | * | * | trans | 75.4 | 123.5 | 155.5 | -69.4 | 0.2 | 0 | 0 | 0 | 122.1 | ||||
| 474 | E | 27.6 | Very low | 29.3 | Very low | 175 Ų | 175 | 142.5 Ų | 142.5 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | 65.6 | 130.2 | 147.7 | -66.8 | 179.1 | 170.8 | 0 | 0 | 117.3 | ||||
| 475 | L | 25.9 | Very low | 28.8 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 80% | 0.801 | 76% | 0.759 | S | S | * | * | -164.9 | 155.9 | 52 | -158.8 | 82.7 | 0 | 0 | 0 | 111.8 | |||||
| 476 | T | 26.8 | Very low | 28.3 | Very low | 119 Ų | 119 | 143.4 Ų | 143.4 | 73% | 0.73 | 77% | 0.768 | S | S | * | * | trans | -74.5 | 146.6 | 177.8 | 42.4 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 477 | R | 27 | Very low | 27.8 | Very low | 216 Ų | 216 | 140.1 Ų | 140.1 | 82% | 0.815 | 76% | 0.758 | S | S | * | * | trans | 59.9 | 119.1 | 138.6 | -81.2 | -169.7 | 168.2 | 164.3 | -1.4 | 122.9 | ||||
| 478 | N | 26.8 | Very low | 27.3 | Very low | 130 Ų | 130 | 140.7 Ų | 140.7 | 70% | 0.695 | 76% | 0.76 | S | S | * | * | 98.4 | 110.4 | 120.7 | -68.3 | 1 | 0 | 0 | 0 | 122.1 | |||||
| 479 | V | 28 | Very low | 27 | Very low | 116 Ų | 116 | 138 Ų | 138 | 70% | 0.703 | 75% | 0.749 | S | S | * | * | 59.8 | 114.4 | 125.7 | -172.7 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 480 | E | 28 | Very low | 26.9 | Very low | 163 Ų | 163 | 137.4 Ų | 137.4 | 76% | 0.762 | 75% | 0.746 | S | S | * | * | trans | 74.8 | 119.6 | 145 | -73.9 | 168.4 | -173.9 | 0 | 0 | 123.8 | ||||
| 481 | E | 29 | Very low | 26.9 | Very low | 169 Ų | 169 | 135.9 Ų | 135.9 | 79% | 0.79 | 74% | 0.744 | S | S | * | * | trans | 53.9 | 140.9 | 136.3 | -63.2 | -166.2 | 163 | 0 | 0 | 120.1 | ||||
| 482 | T | 26.9 | Very low | 26.6 | Very low | 106 Ų | 106 | 130.3 Ų | 130.3 | 65% | 0.65 | 74% | 0.737 | S | S | * | * | cis | -168.4 | 135.8 | -1.9 | 25.2 | 0 | 0 | 0 | 0 | 102.8 | ||||
| 483 | T | 25.3 | Very low | 26.4 | Very low | 139 Ų | 139 | 128.5 Ų | 128.5 | 85% | 0.853 | 74% | 0.737 | S | S | * | * | 158.1 | 144.1 | 94.8 | 36.3 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 484 | G | 26 | Very low | 26.2 | Very low | 65 Ų | 65 | 132.5 Ų | 132.5 | 67% | 0.67 | 74% | 0.741 | S | S | * | * | trans | 100.1 | 90.5 | 132 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 485 | S | 25.5 | Very low | 26 | Very low | 112 Ų | 112 | 130 Ų | 130 | 78% | 0.783 | 73% | 0.733 | S | S | * | * | trans | 66.9 | 147.2 | 131.9 | 67.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 486 | L | 24.6 | Very low | 25.8 | Very low | 156 Ų | 156 | 131.3 Ų | 131.3 | 82% | 0.817 | 74% | 0.735 | S | S | * | * | cis | -168.5 | 147 | 3.4 | -133.3 | 89.3 | 0 | 0 | 0 | 98.2 | ||||
| 487 | S | 24.6 | Very low | 25.8 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 55% | 0.552 | 74% | 0.737 | S | S | * | * | cis | 156.1 | 154.2 | 41.1 | 48.3 | 0 | 0 | 0 | 0 | 106.4 | ||||
| 488 | L | 25.3 | Very low | 25.8 | Very low | 144 Ų | 144 | 131.5 Ų | 131.5 | 75% | 0.754 | 74% | 0.735 | S | S | * | * | trans | 68.9 | 133.9 | 137.5 | -72.2 | 160 | 0 | 0 | 0 | 116.2 | ||||
| 489 | T | 25 | Very low | 25.5 | Very low | 91 Ų | 91 | 133.7 Ų | 133.7 | 56% | 0.558 | 74% | 0.741 | S | S | * | * | cis | 175.8 | 163.1 | -4.4 | 10.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 490 | N | 26.1 | Very low | 25.3 | Very low | 134 Ų | 134 | 134.7 Ų | 134.7 | 72% | 0.717 | 75% | 0.748 | S | S | * | * | trans | 70.5 | 132.6 | 144.8 | -66.8 | -15.3 | 0 | 0 | 0 | 113.7 | ||||
| 491 | T | 27.8 | Very low | 25.1 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 79% | 0.791 | 75% | 0.748 | S | S | * | * | cis | -175.1 | 150.5 | 44.3 | -0.3 | 0 | 0 | 0 | 0 | 101.2 | ||||
| 492 | A | 24.4 | Very low | 24.7 | Very low | 92 Ų | 92 | 132 Ų | 132 | 76% | 0.76 | 75% | 0.747 | S | S | * | * | cis | 154.4 | 162.7 | 16.3 | 0 | 0 | 0 | 0 | 0 | 104.2 | ||||
| 493 | G | 27.2 | Very low | 24.4 | Very low | 67 Ų | 67 | 134.4 Ų | 134.4 | 69% | 0.691 | 75% | 0.751 | S | S | * | * | trans | 102 | 82.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 494 | R | 22.5 | Very low | 24.3 | Very low | 228 Ų | 228 | 133.5 Ų | 133.5 | 86% | 0.86 | 75% | 0.745 | S | S | * | * | 46.7 | 140.3 | 54.3 | -96.3 | -157.2 | 170 | 156 | -2.2 | 111.2 | |||||
| 495 | N | 22.9 | Very low | 24 | Very low | 121 Ų | 121 | 134.8 Ų | 134.8 | 65% | 0.647 | 74% | 0.744 | S | S | * | * | cis | 177.3 | -179 | -7.2 | -116.4 | 4.2 | 0 | 0 | 0 | 103.6 | ||||
| 496 | Q | 22.9 | Very low | 23.9 | Very low | 181 Ų | 181 | 135.1 Ų | 135.1 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 84.3 | 125.6 | 167.6 | -50.3 | 175.7 | -35.8 | 0 | 0 | 111.7 | ||||
| 497 | E | 27.2 | Very low | 23.7 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 76% | 0.762 | 74% | 0.737 | S | S | * | * | -168.5 | 151.2 | 59.2 | -81.7 | -171.8 | 157.7 | 0 | 0 | 106.8 | |||||
| 498 | F | 26.5 | Very low | 23.7 | Very low | 177 Ų | 177 | 136.8 Ų | 136.8 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | cis | -163.3 | 141.9 | 9.4 | -135.6 | -95.2 | 0 | 0 | 0 | 108.2 | ||||
| 499 | Q | 20.4 | Very low | 23.6 | Very low | 175 Ų | 175 | 134.6 Ų | 134.6 | 82% | 0.818 | 74% | 0.738 | S | S | * | * | trans | -79.3 | 148.9 | 167 | -71.7 | 171 | -39.7 | 0 | 0 | 111.3 | ||||
| 500 | T | 23.1 | Very low | 23.5 | Very low | 138 Ų | 138 | 136.1 Ų | 136.1 | 85% | 0.847 | 74% | 0.743 | S | S | * | * | trans | 159.2 | 117.3 | 138 | 29.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 501 | S | 23.8 | Very low | 23.6 | Very low | 109 Ų | 109 | 139.7 Ų | 139.7 | 76% | 0.762 | 75% | 0.752 | S | S | * | * | -165.9 | 125 | 57.1 | 35.4 | 0 | 0 | 0 | 0 | 106.8 | |||||
| 502 | Q | 21.3 | Very low | 23.4 | Very low | 165 Ų | 165 | 138.7 Ų | 138.7 | 77% | 0.771 | 75% | 0.746 | S | S | * | * | 42.8 | 117.7 | 86.8 | -90.6 | -172.2 | -8.4 | 0 | 0 | 116.9 | |||||
| 503 | Q | 20.8 | Very low | 23.5 | Very low | 158 Ų | 158 | 138.8 Ų | 138.8 | 74% | 0.738 | 75% | 0.747 | S | S | * | * | trans | 70.4 | 132.2 | 139.5 | -70.4 | 176.1 | -8.1 | 0 | 0 | 116.3 | ||||
| 504 | T | 22.4 | Very low | 23.4 | Very low | 119 Ų | 119 | 139.7 Ų | 139.7 | 73% | 0.73 | 74% | 0.742 | S | S | * | * | cis | -169.8 | 146.6 | 37.4 | -3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 505 | S | 20.5 | Very low | 23.4 | Very low | 92 Ų | 92 | 135.7 Ų | 135.7 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | trans | 8.7 | 140.2 | 143.6 | 61.2 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 506 | T | 23.1 | Very low | 23.9 | Very low | 120 Ų | 120 | 134.8 Ų | 134.8 | 74% | 0.736 | 74% | 0.739 | S | S | * | * | 148 | 109.8 | 129.8 | 47.1 | 0 | 0 | 0 | 0 | 108.5 | |||||
| 507 | N | 21.2 | Very low | 24 | Very low | 135 Ų | 135 | 134.6 Ų | 134.6 | 72% | 0.722 | 74% | 0.735 | S | S | * | * | 72.1 | 136.7 | 102.3 | -81.1 | -5.6 | 0 | 0 | 0 | 113.8 | |||||
| 508 | N | 24 | Very low | 24.2 | Very low | 135 Ų | 135 | 132.2 Ų | 132.2 | 72% | 0.722 | 73% | 0.734 | S | S | * | * | trans | 75 | 142.2 | 151.7 | -62.4 | -5.5 | 0 | 0 | 0 | 114.8 | ||||
| 509 | T | 23.5 | Very low | 24.1 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 60% | 0.601 | 74% | 0.735 | S | S | * | * | cis | 178.4 | 143.7 | -6 | 27.5 | 0 | 0 | 0 | 0 | 102 | ||||
| 510 | D | 22.8 | Very low | 24.4 | Very low | 122 Ų | 122 | 132.7 Ų | 132.7 | 65% | 0.652 | 74% | 0.736 | S | S | * | * | trans | 51.6 | 108.6 | 138.9 | -52.4 | -28 | 0 | 0 | 0 | 119.9 | ||||
| 511 | F | 27.4 | Very low | 24.5 | Very low | 209 Ų | 209 | 132.9 Ų | 132.9 | 92% | 0.917 | 73% | 0.732 | S | S | * | * | -173.2 | 87 | 117.5 | -96.3 | -72.5 | 0 | 0 | 0 | 104.5 | |||||
| 512 | V | 23.5 | Very low | 24.6 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 66% | 0.655 | 74% | 0.735 | S | S | * | * | 40.7 | 99.7 | 69.5 | -170.6 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 513 | A | 27 | Very low | 25 | Very low | 95 Ų | 95 | 134.4 Ų | 134.4 | 79% | 0.785 | 74% | 0.738 | S | S | * | * | -141.3 | 91.2 | 115.2 | 0 | 0 | 0 | 0 | 0 | 106 | |||||
| 514 | S | 24.5 | Very low | 25.1 | Very low | 86 Ų | 86 | 134.6 Ų | 134.6 | 60% | 0.601 | 74% | 0.743 | S | S | * | * | 59.1 | 97.1 | 88.8 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 515 | D | 24.1 | Very low | 25.3 | Very low | 144 Ų | 144 | 137.1 Ų | 137.1 | 77% | 0.77 | 75% | 0.751 | S | S | * | * | 58.4 | 166.8 | 115.2 | -83.6 | -6.2 | 0 | 0 | 0 | 120.6 | |||||
| 516 | P | 32.1 | Very low | 25.6 | Very low | 102 Ų | 102 | 141 Ų | 141 | 66% | 0.662 | 76% | 0.759 | S | S | * | * | cis | -143.3 | 158.3 | -21.8 | 31.1 | -10.7 | 0 | 0 | 0 | 115 | ||||
| 517 | F | 25.6 | Very low | 25.6 | Very low | 176 Ų | 176 | 145.4 Ų | 145.4 | 77% | 0.772 | 76% | 0.764 | S | S | * | * | trans | 33.6 | 172.7 | 132.8 | -77.4 | -87.6 | 0 | 0 | 0 | 122.9 | ||||
| 518 | P | 31.4 | Very low | 25.9 | Very low | 114 Ų | 114 | 146.6 Ų | 146.6 | 74% | 0.74 | 77% | 0.77 | S | S | * | * | cis | -141.1 | 166.3 | -0.2 | 16.2 | 11.6 | 0 | 0 | 0 | 117.8 | ||||
| 519 | E | 24.7 | Very low | 25.9 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 78% | 0.78 | 77% | 0.77 | S | S | * | * | trans | -59.5 | 155.5 | 151.2 | -69.6 | 171.9 | 133 | 0 | 0 | 113.4 | ||||
| 520 | K | 26.2 | Very low | 26.2 | Very low | 195 Ų | 195 | 149.9 Ų | 149.9 | 85% | 0.848 | 78% | 0.784 | S | S | * | * | trans | -133.1 | 104.2 | 153.4 | -98.2 | -173.4 | 177.6 | 179.6 | 0 | 110.6 | ||||
| 521 | N | 25.3 | Very low | 26.4 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 75% | 0.754 | 79% | 0.79 | S | S | * | * | 56.8 | 99 | 123.8 | -56.7 | -2.6 | 0 | 0 | 0 | 118.9 | |||||
| 522 | E | 26 | Very low | 26.4 | Very low | 180 Ų | 180 | 145.8 Ų | 145.8 | 84% | 0.841 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -83 | 147 | 137.9 | -75.5 | -171.8 | 145.1 | 0 | 0 | 109.9 | ||
| 523 | P | 29.7 | Very low | 26.4 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 82% | 0.818 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -84.8 | 139.7 | -175.7 | 33.4 | -31.7 | 0 | 0 | 0 | 112.7 | ||
| 524 | L | 22.1 | Very low | 26.5 | Very low | 163 Ų | 163 | 150.1 Ų | 150.1 | 85% | 0.853 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -50.9 | 143.4 | 166.3 | -68.3 | 143.6 | 0 | 0 | 0 | 113.3 | ||
| 525 | L | 27.8 | Very low | 26.6 | Very low | 171 Ų | 171 | 154.8 Ų | 154.8 | 90% | 0.895 | 82% | 0.818 | S | S | * | * | trans | -134.3 | 135.2 | 135.8 | -93.6 | 170.2 | 0 | 0 | 0 | 108.4 | ||||
| 526 | E | 25.7 | Very low | 26.7 | Very low | 175 Ų | 175 | 156.7 Ų | 156.7 | 82% | 0.818 | 82% | 0.823 | S | S | * | * | trans | -65.1 | 145.6 | -163.1 | -73 | 153.7 | 139.9 | 0 | 0 | 114.9 | ||||
| 527 | Y | 23.7 | Very low | 26.2 | Very low | 211 Ų | 211 | 160.3 Ų | 160.3 | 83% | 0.827 | 83% | 0.83 | S | S | * | * | trans | -85 | 133 | 159.2 | -147.7 | -96.9 | 0 | 0 | 0 | 107.4 | ||||
| 528 | N | 27.5 | Very low | 26.2 | Very low | 160 Ų | 160 | 158.2 Ų | 158.2 | 86% | 0.856 | 84% | 0.835 | S | S | * | * | trans | -111.5 | 130.8 | 157.9 | -91.5 | -14.2 | 0 | 0 | 0 | 108 | ||||
| 529 | D | 24.7 | Very low | 25.9 | Very low | 136 Ų | 136 | 158 Ų | 158 | 73% | 0.727 | 84% | 0.836 | S | S | * | * | trans | -64.6 | 160.6 | 178.8 | -95.9 | -35.4 | 0 | 0 | 0 | 114.6 | ||||
| 530 | D | 28.4 | Very low | 25.9 | Very low | 166 Ų | 166 | 154.2 Ų | 154.2 | 89% | 0.888 | 83% | 0.833 | S | S | * | * | trans | 129 | 115.6 | 159.4 | -69 | -18.9 | 0 | 0 | 0 | 108.9 | ||||
| 531 | G | 26.9 | Very low | 25.9 | Very low | 76 Ų | 76 | 148.8 Ų | 148.8 | 78% | 0.784 | 82% | 0.82 | S | S | * | * | cis | 166.9 | 157.6 | 3.9 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 532 | D | 28.5 | Very low | 26.2 | Very low | 170 Ų | 170 | 145.3 Ų | 145.3 | 91% | 0.909 | 81% | 0.806 | S | S | * | * | trans | 89.8 | 116.2 | 166.6 | -125.8 | 4.5 | 0 | 0 | 0 | 120 | ||||
| 533 | D | 23.7 | Very low | 26.7 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 85% | 0.845 | 80% | 0.802 | S | S | * | * | trans | -96.1 | 121.9 | -173.7 | -79.8 | -50 | 0 | 0 | 0 | 111.1 | ||||
| 534 | T | 28.3 | Very low | 27.3 | Very low | 135 Ų | 135 | 141.8 Ų | 141.8 | 83% | 0.828 | 79% | 0.793 | S | S | * | * | trans | -131.8 | 129.5 | 153.7 | 40.3 | 0 | 0 | 0 | 0 | 110.2 | E536 | T534-E536 PolarHBondContact O-N 3.18Š| ||
| 535 | L | 25.6 | Very low | 28.5 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 96% | 0.963 | 77% | 0.773 | S | S | * | * | trans | -48.3 | 115.8 | 174.8 | -75.9 | 125.5 | 0 | 0 | 0 | 112.8 | ||||
| 536 | E | 26 | Very low | 29.8 | Very low | 185 Ų | 185 | 137.6 Ų | 137.6 | 86% | 0.864 | 76% | 0.763 | S | S | * | * | trans | -117.8 | 132.4 | 161.5 | -84.4 | -170.6 | 162.8 | 0 | 0 | 111.7 | T534 | T534-E536 PolarHBondContact O-N 3.18Š| ||
| 537 | Q | 22.8 | Very low | 31.6 | Very low | 177 Ų | 177 | 134.4 Ų | 134.4 | 83% | 0.827 | 75% | 0.748 | S | S | * | * | trans | -54 | 158.7 | 168.9 | -68 | 169.3 | -23.3 | 0 | 0 | 111.4 | S539 | Q537-S539 PolarHBondContact O-N 3.23Š| ||
| 538 | P | 25.9 | Very low | 34 | Very low | 133 Ų | 133 | 127.9 Ų | 127.9 | 86% | 0.864 | 72% | 0.722 | S | S | * | * | trans | -60.7 | 107.4 | 176.4 | 25.6 | -32 | 0 | 0 | 0 | 109.7 | ||||
| 539 | S | 24.8 | Very low | 36.5 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 76% | 0.755 | 70% | 0.695 | S | S | * | * | trans | -57.1 | 134.4 | 179.6 | 54.9 | 0 | 0 | 0 | 0 | 111.2 | Q537 | Q537-S539 PolarHBondContact O-N 3.23Š| ||
| 540 | A | 24.3 | Very low | 39.1 | Very low | 88 Ų | 88 | 119.1 Ų | 119.1 | 73% | 0.727 | 67% | 0.671 | S | S | * | * | trans | -44.3 | 150.5 | 171 | 0 | 0 | 0 | 0 | 0 | 113.3 | S542 | A540-S542 PolarHBondContact O-N 2.81Š| ||
| 541 | S | 27 | Very low | 41.5 | Very low | 81 Ų | 81 | 115.5 Ų | 115.5 | 57% | 0.566 | 66% | 0.659 | S | S | * | * | trans | -39.5 | 132.6 | 167 | 39.2 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 542 | S | 31.7 | Very low | 43.9 | Very low | 68 Ų | 68 | 117 Ų | 117 | 48% | 0.476 | 65% | 0.645 | S | S | . | * | trans | -46.9 | 136.7 | 173.3 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | A540 D544 T545 | A540-S542 PolarHBondContact O-N 2.81Å; S542-D544 PolarHBondContact O-N 3.3Å; S542-T545 PolarHBondContact O-N 2.8Å; S542-T545 PolarHBondContact O-OG1 3.36Å; S542-T545 PolarHBondContact OG-OG1 2.86Å | ||
| 543 | P | 35.7 | Very low | 46.1 | Very low | 117 Ų | 117 | 110.5 Ų | 110.5 | 76% | 0.76 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -64.6 | -10.9 | -177.2 | 23.7 | -31.7 | 0 | 0 | 0 | 114.6 | T545 | P543-T545 PolarHBondContact O-N 2.82Š|
| 544 | D | 41.5 | Very low | 48.2 | Very low | 116 Ų | 116 | 109.3 Ų | 109.3 | 62% | 0.62 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -77.3 | -14.8 | -179.3 | -64.2 | -18 | 0 | 0 | 0 | 114.1 | S542 Y546 | S542-D544 PolarHBondContact O-N 3.3Å; D544-Y546 PolarHBondContact O-N 3.42Å |
| 545 | T | 47.8 | Very low | 50.2 | Low | 70 Ų | 70 | 105.1 Ų | 105.1 | 43% | 0.429 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -75.7 | -26.8 | -173.1 | -34.2 | 0 | 0 | 0 | 0 | 112.9 | S542 P543 E547 F549 | S542-T545 PolarHBondContact O-N 2.8Å; S542-T545 PolarHBondContact O-OG1 3.36Å; S542-T545 PolarHBondContact OG-OG1 2.86Å; P543-T545 PolarHBondContact O-N 2.82Å; T545-E547 VanDerWaalsContact C-N 3.32Å; T545-E547 PolarHBondContact O-N 3.29Å; T545-F549 WeakPolarHBondContact O-CD2 3.43Å |
| 546 | Y | 54.8 | Low | 52.6 | Low | 176 Ų | 176 | 99 Ų | 99 | 69% | 0.69 | 56% | 0.557 | S | S | * | * | G | 310 helix | trans | -79.1 | -14.2 | -178.7 | -71.9 | -77.6 | 0 | 0 | 0 | 113.7 | D544 Y548 | D544-Y546 PolarHBondContact O-N 3.42Å; Y546-Y548 VanDerWaalsContact C-N 3.28Å; Y546-Y548 PolarHBondContact O-N 3.43Å |
| 547 | E | 63.9 | Low | 55.4 | Low | 108 Ų | 108 | 96 Ų | 96 | 51% | 0.505 | 54% | 0.543 | S | S | . | . | G | 310 helix | trans | -68 | -29.5 | -174.3 | -175.7 | 168.9 | -173.9 | 0 | 0 | 112.3 | T545 K783 | T545-E547 VanDerWaalsContact C-N 3.32Å; T545-E547 PolarHBondContact O-N 3.29Å; E547-K783 WeakPolarHBondContact O-CE 3.47Å; E547-K783 PolarHBondContact O-NZ 3.04Å; E547-K783 IonicContact OE1-NZ 3.7Å; E547-K783 PolarHBondContact OE1-NZ 3.39Å |
| 548 | Y | 73.6 | Confident | 58.4 | Low | 73 Ų | 73 | 90.2 Ų | 90.2 | 29% | 0.286 | 52% | 0.519 | S | S | . | . | G | 310 helix | trans | -101 | 7.5 | -174.1 | -55.1 | -65.2 | 0 | 0 | 0 | 114.8 | Y546 C773 C774 K783 Y784 | Y546-Y548 VanDerWaalsContact C-N 3.28Å; Y546-Y548 PolarHBondContact O-N 3.43Å; Y548-C773 VanDerWaalsContact O-CB 3.3Å; Y548-C773 WeakPolarHBondContact O-CB 3.39Å; Y548-C774 PolarHBondContact O-N 3.22Å; Y548-K783 HydrophobicContact CD1-CD 4.36Å; Y548-Y784 WeakPolarHBondContact CB-OH 3.34Å; Y548-Y784 HydrophobicContact CD1-CE1 4.1Å; Y548-Y784 HydrophobicContact CD1-CE2 4.15Å; Y548-Y784 AromaticContact CD1-CZ 3.48Å; Y548-Y784 VanDerWaalsContact CD1-CZ 3.48Å; Y548-Y784 WeakPolarHBondContact CD1-OH 3.46Å; Y548-Y784 HydrophobicContact CE1-CE1 4.12Å; Y548-Y784 AromaticContact CE1-CZ 3.96Å |
| 549 | F | 80.6 | Confident | 61.3 | Low | 64 Ų | 64 | 83.9 Ų | 83.9 | 28% | 0.281 | 48% | 0.478 | S | S | . | . | B | Isolated β-bridge | trans | -114.7 | 124 | 178.5 | -71 | -101.3 | 0 | 0 | 0 | 109.6 | T545 L771 C774 | T545-F549 WeakPolarHBondContact O-CD2 3.43Å; F549-L771 HydrophobicContact CE1-CD2 3.77Å; F549-L771 HydrophobicContact CE1-CG 4.05Å; F549-L771 HydrophobicContact CZ-CD2 4.39Å; F549-L771 HydrophobicContact CZ-CG 4.28Å; F549-C774 WeakPolarHBondContact CA-O 3.31Å; F549-C774 HydrophobicContact CD1-CB 3.72Å; F549-C774 HydrophobicContact CE1-CB 3.95Å |
| 550 | E | 80 | Confident | 64.6 | Low | 49 Ų | 49 | 78.8 Ų | 78.8 | 23% | 0.229 | 44% | 0.443 | C | S | . | . | P | Polyproline II helix | trans | -68.7 | 139.9 | 169.5 | -166.7 | 174.3 | -142 | 0 | 0 | 109.3 | C774 G775 S776 F779 | E550-C774 PolarHBondContact N-O 2.79Å; E550-G775 VanDerWaalsContact OE2-CA 3.31Å; E550-G775 WeakPolarHBondContact OE2-CA 3.4Å; E550-S776 PolarHBondContact OE1-OG 3.07Å; E550-S776 WeakPolarHBondContact OE2-CB 3.28Å; E550-S776 PolarHBondContact OE2-N 3.34Å; E550-S776 PolarHBondContact OE2-OG 3.39Å; E550-F779 HydrophobicContact CB-CD1 4.08Å; E550-F779 HydrophobicContact CB-CE1 4.11Å; E550-F779 HydrophobicContact CB-CG 4.4Å; E550-F779 HydrophobicContact CB-CZ 4.46Å; E550-F779 HydrophobicContact CG-CG 4.49Å |
| 551 | S | 77.2 | Confident | 67.8 | Low | 90 Ų | 90 | 76 Ų | 76 | 63% | 0.629 | 42% | 0.418 | S | S | * | . | P | Polyproline II helix | trans | -57.8 | 144.3 | 178.7 | 51.5 | 0 | 0 | 0 | 0 | 111.7 | ||
| 552 | E | 79.2 | Confident | 70.9 | Confident | 106 Ų | 106 | 72.2 Ų | 72.2 | 50% | 0.495 | 39% | 0.391 | S | S | . | . | P | Polyproline II helix | trans | -60.1 | 141.8 | 179.8 | -61.6 | -160 | 165.9 | 0 | 0 | 112.4 | I554 N585 Y587 | E552-I554 PolarHBondContact O-N 3.09Å; E552-N585 PolarHBondContact OE1-ND2 3.03Å; E552-Y587 WeakPolarHBondContact CB-OH 3.37Å; E552-Y587 WeakPolarHBondContact CG-OH 3.41Å; E552-Y587 PolarHBondContact OE1-OH 3.42Å; E552-Y587 PolarHBondContact OE2-OH 2.9Å |
| 553 | P | 74.7 | Confident | 73.7 | Confident | 34 Ų | 34 | 72 Ų | 72 | 22% | 0.221 | 39% | 0.385 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 130.7 | -179.7 | 27.3 | -33.9 | 0 | 0 | 0 | 111.5 | L556 Y587 | P553-L556 HydrophobicContact CB-CD1 3.82Å; P553-L556 HydrophobicContact CB-CG 4.5Å; P553-L556 HydrophobicContact CG-CD1 3.97Å; P553-Y587 HydrophobicContact CG-CD1 3.99Å; P553-Y587 HydrophobicContact CG-CD2 3.81Å; P553-Y587 HydrophobicContact CG-CE1 4.05Å; P553-Y587 HydrophobicContact CG-CE2 3.95Å; P553-Y587 HydrophobicContact CG-CG 3.87Å |
| 554 | I | 67.2 | Low | 76.3 | Confident | 133 Ų | 133 | 71.6 Ų | 71.6 | 68% | 0.682 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.9 | 122.3 | -176.6 | -53.9 | 169.2 | 0 | 0 | 0 | 109.4 | E552 | E552-I554 PolarHBondContact O-N 3.09Š|
| 555 | G | 69.5 | Low | 78.6 | Confident | 48 Ų | 48 | 66 Ų | 66 | 50% | 0.495 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.7 | 12.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | H1729 | G555-H1729 PolarHBondContact O-CE1 2.89Å; G555-H1729 VanDerWaalsContact O-CE1 3.25Å |
| 556 | L | 76.7 | Confident | 80.6 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 29% | 0.293 | 33% | 0.33 | S | S | . | . | P | Polyproline II helix | trans | -103.8 | 141.3 | 171.3 | -65.3 | 173.9 | 0 | 0 | 0 | 111.2 | P553 Y587 Q590 | P553-L556 HydrophobicContact CB-CD1 3.82Å; P553-L556 HydrophobicContact CB-CG 4.5Å; P553-L556 HydrophobicContact CG-CD1 3.97Å; L556-Y587 HydrophobicContact CB-CD1 4.14Å; L556-Y587 HydrophobicContact CB-CG 4.39Å; L556-Q590 HydrophobicContact CD1-CG 4.01Å |
| 557 | Q | 84.5 | Confident | 82.2 | Confident | 122 Ų | 122 | 56.5 Ų | 56.5 | 57% | 0.57 | 30% | 0.302 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 139.5 | 176.5 | -176.6 | 172.6 | -6.6 | 0 | 0 | 110.9 | G559 Y587 E588 | Q557-G559 PolarHBondContact O-N 3.07Å; Q557-Y587 WeakPolarHBondContact O-CA 3.48Å; Q557-E588 PolarHBondContact O-N 3.13Å |
| 558 | V | 86.7 | Confident | 83.2 | Confident | 54 Ų | 54 | 54 Ų | 54 | 33% | 0.327 | 29% | 0.294 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 117.1 | 174 | -177.7 | 0 | 0 | 0 | 0 | 109.4 | I560 N585 I586 Y587 | V558-I560 WeakPolarHBondContact CG1-O 3.31Å; V558-N585 HydrophobicContact CG1-CB 4.22Å; V558-N585 HydrophobicContact CG2-CB 4.5Å; V558-I586 CarbonylContact C-O 3.47Å; V558-Y587 HydrophobicContact CG2-CD1 4.03Å; V558-Y587 HydrophobicContact CG2-CE1 3.76Å |
| 559 | G | 87 | Confident | 83.5 | Confident | 1 Ų | 1 | 54.5 Ų | 54.5 | 1% | 0.01 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | -37.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q557 I586 I622 Y623 | Q557-G559 PolarHBondContact O-N 3.07Å; G559-I586 PolarHBondContact N-O 3.35Å; G559-I622 WeakPolarHBondContact O-CA 3.45Å; G559-Y623 PolarHBondContact O-N 2.86Å |
| 560 | I | 92.5 | Very high | 83 | Confident | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 124.6 | 174.2 | -49.5 | 174 | 0 | 0 | 0 | 108.9 | V558 I562 I586 L609 C621 I622 V715 I717 T745 L747 | V558-I560 WeakPolarHBondContact CG1-O 3.31Å; I560-I562 HydrophobicContact CG2-CG1 4Å; I560-I586 HydrophobicContact CB-CB 4.04Å; I560-I586 HydrophobicContact CB-CD1 4.04Å; I560-I586 HydrophobicContact CB-CG1 4.34Å; I560-I586 HydrophobicContact CD1-CD1 3.91Å; I560-I586 HydrophobicContact CG1-CD1 4.48Å; I560-I586 HydrophobicContact CG2-CD1 4.34Å; I560-I586 PolarHBondContact N-O 3.08Å; I560-I586 PolarHBondContact O-N 3.26Å; I560-L609 HydrophobicContact CG2-CD2 4.24Å; I560-C621 WeakPolarHBondContact CA-O 3.33Å; I560-I622 HydrophobicContact CG1-CG1 4.31Å; I560-I622 HydrophobicContact CG2-CG1 4.22Å; I560-V715 HydrophobicContact CD1-CG1 3.64Å; I560-V715 HydrophobicContact CG1-CG1 3.99Å; I560-I717 HydrophobicContact CD1-CD1 4.49Å; I560-T745 HydrophobicContact CG1-CG2 4.39Å; I560-L747 HydrophobicContact CD1-CD2 4.42Å |
| 561 | S | 92 | Very high | 82 | Confident | 29 Ų | 29 | 58.7 Ų | 58.7 | 20% | 0.203 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 124.9 | 171.8 | -164.8 | 0 | 0 | 0 | 0 | 108.7 | N585 A620 C621 | S561-N585 PolarHBondContact OG-OD1 3.35Å; S561-A620 CarbonylContact O-C 3.6Å; S561-A620 WeakPolarHBondContact O-CA 3.44Å; S561-A620 VanDerWaalsContact O-CB 3.3Å; S561-A620 WeakPolarHBondContact O-CB 3.41Å; S561-C621 PolarHBondContact N-O 2.7Å; S561-C621 PolarHBondContact O-N 3.1Å |
| 562 | I | 92.4 | Very high | 81 | Confident | 2 Ų | 2 | 64.6 Ų | 64.6 | 1% | 0.01 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.2 | 123.1 | 176.6 | -51.7 | -177.3 | 0 | 0 | 0 | 108.5 | I560 L565 L582 T583 M584 T605 L609 A620 | I560-I562 HydrophobicContact CG2-CG1 4Å; I562-L565 HydrophobicContact CG2-CB 3.65Å; I562-L565 HydrophobicContact CG2-CD2 4.1Å; I562-L565 HydrophobicContact CG2-CG 4.37Å; I562-L582 HydrophobicContact CG2-CG 4.41Å; I562-L582 WeakPolarHBondContact CG2-O 3.37Å; I562-T583 VanDerWaalsContact O-CA 3.24Å; I562-T583 WeakPolarHBondContact O-CA 3.46Å; I562-T583 WeakPolarHBondContact O-CG2 3.47Å; I562-M584 HydrophobicContact CB-CG 4.3Å; I562-M584 WeakPolarHBondContact CB-O 3.33Å; I562-M584 HydrophobicContact CD1-CG 3.83Å; I562-M584 HydrophobicContact CD1-SD 4.39Å; I562-M584 HydrophobicContact CG1-CG 4.29Å; I562-M584 PolarHBondContact N-O 2.94Å; I562-M584 PolarHBondContact O-N 2.64Å; I562-T605 HydrophobicContact CD1-CG2 4.48Å; I562-L609 HydrophobicContact CD1-CD1 4.13Å; I562-L609 HydrophobicContact CD1-CD2 4.11Å; I562-L609 HydrophobicContact CG1-CD2 4.23Å; I562-A620 HydrophobicContact CB-CB 4.31Å; I562-A620 HydrophobicContact CG1-CB 4.09Å; I562-A620 HydrophobicContact CG2-CB 4.29Å |
| 563 | D | 89.8 | Confident | 79.7 | Confident | 64 Ų | 64 | 67.3 Ų | 67.3 | 34% | 0.342 | 36% | 0.358 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 110.9 | -175 | -61.3 | -29.3 | 0 | 0 | 0 | 111.1 | L565 G618 T619 | D563-L565 VanDerWaalsContact C-N 3.26Å; D563-L565 PolarHBondContact O-N 2.84Å; D563-L565 VanDerWaalsContact O-N 3.16Å; D563-G618 WeakPolarHBondContact O-CA 3.28Å; D563-T619 PolarHBondContact N-O 2.96Å; D563-T619 PolarHBondContact O-N 3.22Å |
| 564 | H | 90.3 | Very high | 78.9 | Confident | 108 Ų | 108 | 68.8 Ų | 68.8 | 50% | 0.5 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 52.5 | 38.2 | 171.8 | -64 | -71.5 | 0 | 0 | 0 | 114.5 | C566 D581 L582 T583 G618 | H564-C566 PolarHBondContact O-N 2.88Å; H564-D581 VanDerWaalsContact CA-OD1 3.24Å; H564-D581 WeakPolarHBondContact CA-OD1 3.14Å; H564-D581 WeakPolarHBondContact CB-OD1 3.42Å; H564-D581 IonicContact CE1-OD1 3.83Å; H564-D581 IonicContact CE1-OD2 3.11Å; H564-D581 IonicContact CG-OD1 3.93Å; H564-D581 VanDerWaalsContact CG-OD1 3.29Å; H564-D581 IonicContact ND1-OD1 2.93Å; H564-D581 PolarHBondContact ND1-OD1 3.49Å; H564-D581 IonicContact ND1-OD2 2.68Å; H564-D581 PolarHBondContact ND1-OD2 2.91Å; H564-L582 PolarHBondContact N-O 3.35Å; H564-T583 PolarHBondContact N-OG1 3.17Å; H564-G618 WeakPolarHBondContact O-CA 3.5Å |
| 565 | L | 89.7 | Confident | 79 | Confident | 0 Ų | 0 | 67.7 Ų | 67.7 | 0% | 0 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 124.2 | -171.7 | -164.8 | 80.1 | 0 | 0 | 0 | 111.5 | I562 D563 V579 D581 L582 T605 I608 P615 | I562-L565 HydrophobicContact CG2-CB 3.65Å; I562-L565 HydrophobicContact CG2-CD2 4.1Å; I562-L565 HydrophobicContact CG2-CG 4.37Å; D563-L565 VanDerWaalsContact C-N 3.26Å; D563-L565 PolarHBondContact O-N 2.84Å; D563-L565 VanDerWaalsContact O-N 3.16Å; L565-V579 WeakPolarHBondContact O-CG1 3.27Å; L565-D581 PolarHBondContact O-N 3.3Å; L565-L582 HydrophobicContact CB-CB 4.31Å; L565-L582 PolarHBondContact N-O 2.79Å; L565-L582 PolarHBondContact O-N 3.05Å; L565-T605 HydrophobicContact CD2-CG2 4.18Å; L565-I608 HydrophobicContact CD1-CG2 4.07Å; L565-I608 HydrophobicContact CD2-CB 4.48Å; L565-I608 HydrophobicContact CD2-CD1 4.32Å; L565-I608 HydrophobicContact CD2-CG2 4.13Å; L565-P615 HydrophobicContact CD1-CB 3.85Å |
| 566 | C | 90.3 | Very high | 79.1 | Confident | 24 Ų | 24 | 69.1 Ų | 69.1 | 16% | 0.162 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 146.7 | 175.5 | -59.1 | 0 | 0 | 0 | 0 | 112.9 | H564 V579 D581 T616 S617 | H564-C566 PolarHBondContact O-N 2.88Å; C566-V579 CarbonylContact C-O 3.42Å; C566-V579 WeakPolarHBondContact CA-O 3.35Å; C566-D581 PolarHBondContact SG-N 2.88Å; C566-T616 WeakPolarHBondContact O-CB 3.25Å; C566-T616 PolarHBondContact O-N 3.16Å; C566-S617 WeakPolarHBondContact CB-OG 3.23Å; C566-S617 PolarHBondContact N-O 2.86Å; C566-S617 PolarHBondContact O-N 3.21Å; C566-S617 PolarHBondContact SG-OG 2.66Å; C566-S617 VanDerWaalsContact SG-OG 3.33Å |
| 567 | K | 88.9 | Confident | 79.4 | Confident | 21 Ų | 21 | 70.3 Ų | 70.3 | 9% | 0.091 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.1 | 120.9 | 171.7 | -173.6 | 61.2 | 174.7 | 179.5 | 0 | 112.2 | Y569 A578 V579 T604 I608 P614 | K567-Y569 HydrophobicContact CG-CD2 4.41Å; K567-Y569 HydrophobicContact CG-CE2 3.91Å; K567-A578 PolarHBondContact O-N 3.2Å; K567-V579 HydrophobicContact CB-CB 4.27Å; K567-V579 HydrophobicContact CB-CG2 4.38Å; K567-V579 PolarHBondContact N-O 3.39Å; K567-V579 PolarHBondContact O-N 3.32Å; K567-T604 HydrophobicContact CB-CG2 4.08Å; K567-T604 HydrophobicContact CG-CG2 3.69Å; K567-I608 HydrophobicContact CB-CD1 3.79Å; K567-I608 HydrophobicContact CD-CD1 4.32Å; K567-I608 HydrophobicContact CG-CD1 4.08Å; K567-P614 WeakPolarHBondContact CE-O 3.48Å; K567-P614 PolarHBondContact NZ-O 3.01Å |
| 568 | V | 85.7 | Confident | 79.4 | Confident | 57 Ų | 57 | 65.1 Ų | 65.1 | 35% | 0.345 | 36% | 0.355 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 127.1 | 174.7 | -173.8 | 0 | 0 | 0 | 0 | 109.7 | V577 T616 | V568-V577 HydrophobicContact CG1-CG2 4.47Å; V568-V577 HydrophobicContact CG2-CG1 4.44Å; V568-V577 HydrophobicContact CG2-CG2 4.19Å; V568-T616 PolarHBondContact N-OG1 3.08Å; V568-T616 VanDerWaalsContact N-OG1 3.11Å |
| 569 | Y | 79 | Confident | 79.4 | Confident | 82 Ų | 82 | 62.5 Ų | 62.5 | 32% | 0.322 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98 | 114.7 | 169.9 | -68.7 | -81.1 | 0 | 0 | 0 | 109.2 | K567 T575 V576 A578 T604 | K567-Y569 HydrophobicContact CG-CD2 4.41Å; K567-Y569 HydrophobicContact CG-CE2 3.91Å; Y569-T575 WeakPolarHBondContact O-CA 3.45Å; Y569-V576 PolarHBondContact N-O 2.98Å; Y569-V576 PolarHBondContact O-N 2.66Å; Y569-A578 HydrophobicContact CD2-CB 3.87Å; Y569-A578 HydrophobicContact CE2-CB 3.82Å; Y569-T604 HydrophobicContact CE2-CG2 3.92Å |
| 570 | S | 69.1 | Low | 79.4 | Confident | 103 Ų | 103 | 63.6 Ų | 63.6 | 72% | 0.72 | 35% | 0.347 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -95 | 124.8 | 169.5 | 67.6 | 0 | 0 | 0 | 0 | 109.9 | ||
| 571 | N | 60.7 | Low | 79.2 | Confident | 99 Ų | 99 | 67.9 Ų | 67.9 | 53% | 0.529 | 37% | 0.369 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 159.5 | 165.2 | -161.5 | -5.8 | 0 | 0 | 0 | 108.2 | Q573 S574 | N571-Q573 PolarHBondContact O-N 2.84Å; N571-S574 PolarHBondContact N-O 3.45Å; N571-S574 PolarHBondContact O-N 2.66Å; N571-S574 VanDerWaalsContact O-N 3.1Å |
| 572 | K | 54.7 | Low | 79 | Confident | 213 Ų | 213 | 66.5 Ų | 66.5 | 93% | 0.926 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | -18.2 | -175 | -69.2 | -170.1 | 176.7 | -173.7 | 0 | 115 | ||
| 573 | Q | 53.3 | Low | 78.9 | Confident | 164 Ų | 164 | 69.3 Ų | 69.3 | 77% | 0.766 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.6 | -11.9 | -176.2 | -68.5 | 178.5 | -29.4 | 0 | 0 | 114.2 | N571 | N571-Q573 PolarHBondContact O-N 2.84Š|
| 574 | S | 56.7 | Low | 79 | Confident | 64 Ų | 64 | 67 Ų | 67 | 45% | 0.448 | 36% | 0.364 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -164.1 | 133.1 | -175 | 60.4 | 0 | 0 | 0 | 0 | 111.9 | N571 | N571-S574 PolarHBondContact N-O 3.45Å; N571-S574 PolarHBondContact O-N 2.66Å; N571-S574 VanDerWaalsContact O-N 3.1Å |
| 575 | T | 69.3 | Low | 79 | Confident | 110 Ų | 110 | 63.8 Ų | 63.8 | 68% | 0.675 | 35% | 0.351 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -93.7 | 118.8 | 164.1 | 45.6 | 0 | 0 | 0 | 0 | 108.7 | Y569 | Y569-T575 WeakPolarHBondContact O-CA 3.45Å |
| 576 | V | 72.7 | Confident | 79.1 | Confident | 79 Ų | 79 | 63.8 Ų | 63.8 | 48% | 0.479 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 114.4 | 177 | -178.4 | 0 | 0 | 0 | 0 | 108 | Y569 A578 | Y569-V576 PolarHBondContact N-O 2.98Å; Y569-V576 PolarHBondContact O-N 2.66Å; V576-A578 PolarHBondContact O-N 2.73Å |
| 577 | V | 82.4 | Confident | 79.2 | Confident | 81 Ų | 81 | 62.8 Ų | 62.8 | 49% | 0.491 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 115.6 | 167.9 | -175.7 | 0 | 0 | 0 | 0 | 106.8 | V568 | V568-V577 HydrophobicContact CG1-CG2 4.47Å; V568-V577 HydrophobicContact CG2-CG1 4.44Å; V568-V577 HydrophobicContact CG2-CG2 4.19Å |
| 578 | A | 83.5 | Confident | 79.2 | Confident | 12 Ų | 12 | 64.7 Ų | 64.7 | 10% | 0.099 | 35% | 0.353 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | -36.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112 | K567 Y569 V576 G601 T604 | K567-A578 PolarHBondContact O-N 3.2Å; Y569-A578 HydrophobicContact CD2-CB 3.87Å; Y569-A578 HydrophobicContact CE2-CB 3.82Å; V576-A578 PolarHBondContact O-N 2.73Å; A578-G601 WeakPolarHBondContact O-CA 3.28Å; A578-T604 HydrophobicContact CB-CG2 4.1Å |
| 579 | V | 88.3 | Confident | 79.3 | Confident | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 132.3 | 175.5 | -172.5 | 0 | 0 | 0 | 0 | 107.2 | L565 C566 K567 L582 T604 | L565-V579 WeakPolarHBondContact O-CG1 3.27Å; C566-V579 CarbonylContact C-O 3.42Å; C566-V579 WeakPolarHBondContact CA-O 3.35Å; K567-V579 HydrophobicContact CB-CB 4.27Å; K567-V579 HydrophobicContact CB-CG2 4.38Å; K567-V579 PolarHBondContact N-O 3.39Å; K567-V579 PolarHBondContact O-N 3.32Å; V579-L582 HydrophobicContact CG1-CB 3.65Å; V579-L582 HydrophobicContact CG1-CD2 4.15Å; V579-T604 HydrophobicContact CG2-CG2 4.25Å |
| 580 | S | 86.1 | Confident | 79.8 | Confident | 24 Ų | 24 | 58.8 Ų | 58.8 | 17% | 0.168 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 116 | 179.4 | 45.2 | 0 | 0 | 0 | 0 | 109.2 | L582 G769 E770 | S580-L582 PolarHBondContact O-N 2.61Å; S580-G769 PolarHBondContact N-O 3.21Å; S580-G769 PolarHBondContact OG-O 2.81Å; S580-E770 WeakPolarHBondContact OG-CG 3.49Å |
| 581 | D | 87.6 | Confident | 80.9 | Confident | 90 Ų | 90 | 53.9 Ų | 53.9 | 48% | 0.481 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.4 | 49.7 | 172.2 | -154.5 | 36.9 | 0 | 0 | 0 | 114.9 | H564 L565 C566 T583 | H564-D581 VanDerWaalsContact CA-OD1 3.24Å; H564-D581 WeakPolarHBondContact CA-OD1 3.14Å; H564-D581 WeakPolarHBondContact CB-OD1 3.42Å; H564-D581 IonicContact CE1-OD1 3.83Å; H564-D581 IonicContact CE1-OD2 3.11Å; H564-D581 IonicContact CG-OD1 3.93Å; H564-D581 VanDerWaalsContact CG-OD1 3.29Å; H564-D581 IonicContact ND1-OD1 2.93Å; H564-D581 PolarHBondContact ND1-OD1 3.49Å; H564-D581 IonicContact ND1-OD2 2.68Å; H564-D581 PolarHBondContact ND1-OD2 2.91Å; L565-D581 PolarHBondContact O-N 3.3Å; C566-D581 PolarHBondContact SG-N 2.88Å; D581-T583 PolarHBondContact O-N 2.96Å |
| 582 | L | 89.3 | Confident | 82.5 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 119.8 | -179.6 | 178.8 | 67.4 | 0 | 0 | 0 | 110.6 | I562 H564 L565 V579 S580 T605 M766 L771 | I562-L582 HydrophobicContact CG2-CG 4.41Å; I562-L582 WeakPolarHBondContact CG2-O 3.37Å; H564-L582 PolarHBondContact N-O 3.35Å; L565-L582 HydrophobicContact CB-CB 4.31Å; L565-L582 PolarHBondContact N-O 2.79Å; L565-L582 PolarHBondContact O-N 3.05Å; V579-L582 HydrophobicContact CG1-CB 3.65Å; V579-L582 HydrophobicContact CG1-CD2 4.15Å; S580-L582 PolarHBondContact O-N 2.61Å; L582-T605 HydrophobicContact CD2-CG2 3.51Å; L582-M766 HydrophobicContact CD1-SD 4.06Å; L582-M766 HydrophobicContact CD2-SD 4.11Å; L582-L771 HydrophobicContact CD1-CB 3.73Å; L582-L771 HydrophobicContact CD1-CD2 4.49Å |
| 583 | T | 90.4 | Very high | 84.3 | Confident | 60 Ų | 60 | 39.1 Ų | 39.1 | 37% | 0.368 | 22% | 0.224 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 122.9 | 173.8 | -59 | 0 | 0 | 0 | 0 | 110.2 | I562 H564 D581 | I562-T583 VanDerWaalsContact O-CA 3.24Å; I562-T583 WeakPolarHBondContact O-CA 3.46Å; I562-T583 WeakPolarHBondContact O-CG2 3.47Å; H564-T583 PolarHBondContact N-OG1 3.17Å; D581-T583 PolarHBondContact O-N 2.96Å |
| 584 | M | 90.2 | Very high | 86.2 | Confident | 16 Ų | 16 | 31.4 Ų | 31.4 | 8% | 0.079 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -164.4 | 146.9 | 175.4 | 63.7 | 179 | -68.5 | 0 | 0 | 113.3 | I562 I586 T592 A764 L771 | I562-M584 HydrophobicContact CB-CG 4.3Å; I562-M584 WeakPolarHBondContact CB-O 3.33Å; I562-M584 HydrophobicContact CD1-CG 3.83Å; I562-M584 HydrophobicContact CD1-SD 4.39Å; I562-M584 HydrophobicContact CG1-CG 4.29Å; I562-M584 PolarHBondContact N-O 2.94Å; I562-M584 PolarHBondContact O-N 2.64Å; M584-I586 HydrophobicContact CE-CD1 4.08Å; M584-I586 HydrophobicContact CE-CG1 3.84Å; M584-T592 HydrophobicContact CE-CG2 3.9Å; M584-A764 HydrophobicContact CE-CB 4.12Å; M584-L771 HydrophobicContact CB-CD2 4.11Å |
| 585 | N | 91 | Very high | 87.7 | Confident | 40 Ų | 40 | 28.4 Ų | 28.4 | 21% | 0.214 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 141.7 | 174.5 | -65.9 | -33.4 | 0 | 0 | 0 | 111.4 | E552 V558 S561 Y587 | E552-N585 PolarHBondContact OE1-ND2 3.03Å; V558-N585 HydrophobicContact CG1-CB 4.22Å; V558-N585 HydrophobicContact CG2-CB 4.5Å; S561-N585 PolarHBondContact OG-OD1 3.35Å; N585-Y587 HydrophobicContact CB-CE1 4.48Å; N585-Y587 HydrophobicContact CB-CE2 4.1Å; N585-Y587 WeakPolarHBondContact CB-OH 3.33Å; N585-Y587 WeakPolarHBondContact O-CE2 3.5Å |
| 586 | I | 92.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 132.2 | 178.7 | -53.8 | 172.6 | 0 | 0 | 0 | 108.4 | V558 G559 I560 M584 T592 T745 L747 | V558-I586 CarbonylContact C-O 3.47Å; G559-I586 PolarHBondContact N-O 3.35Å; I560-I586 HydrophobicContact CB-CB 4.04Å; I560-I586 HydrophobicContact CB-CD1 4.04Å; I560-I586 HydrophobicContact CB-CG1 4.34Å; I560-I586 HydrophobicContact CD1-CD1 3.91Å; I560-I586 HydrophobicContact CG1-CD1 4.48Å; I560-I586 HydrophobicContact CG2-CD1 4.34Å; I560-I586 PolarHBondContact N-O 3.08Å; I560-I586 PolarHBondContact O-N 3.26Å; M584-I586 HydrophobicContact CE-CD1 4.08Å; M584-I586 HydrophobicContact CE-CG1 3.84Å; I586-T592 HydrophobicContact CG1-CG2 4.43Å; I586-T745 HydrophobicContact CB-CG2 4.32Å; I586-T745 HydrophobicContact CG2-CG2 3.53Å; I586-L747 HydrophobicContact CD1-CB 4.29Å; I586-L747 HydrophobicContact CD1-CD1 3.86Å; I586-L747 HydrophobicContact CD1-CD2 3.76Å; I586-L747 HydrophobicContact CD1-CG 4.17Å |
| 587 | Y | 91.1 | Very high | 88.5 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.016 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 152.6 | -166.4 | -52.9 | -93.4 | 0 | 0 | 0 | 112.9 | E552 P553 L556 Q557 V558 N585 | E552-Y587 WeakPolarHBondContact CB-OH 3.37Å; E552-Y587 WeakPolarHBondContact CG-OH 3.41Å; E552-Y587 PolarHBondContact OE1-OH 3.42Å; E552-Y587 PolarHBondContact OE2-OH 2.9Å; P553-Y587 HydrophobicContact CG-CD1 3.99Å; P553-Y587 HydrophobicContact CG-CD2 3.81Å; P553-Y587 HydrophobicContact CG-CE1 4.05Å; P553-Y587 HydrophobicContact CG-CE2 3.95Å; P553-Y587 HydrophobicContact CG-CG 3.87Å; L556-Y587 HydrophobicContact CB-CD1 4.14Å; L556-Y587 HydrophobicContact CB-CG 4.39Å; Q557-Y587 WeakPolarHBondContact O-CA 3.48Å; V558-Y587 HydrophobicContact CG2-CD1 4.03Å; V558-Y587 HydrophobicContact CG2-CE1 3.76Å; N585-Y587 HydrophobicContact CB-CE1 4.48Å; N585-Y587 HydrophobicContact CB-CE2 4.1Å; N585-Y587 WeakPolarHBondContact CB-OH 3.33Å; N585-Y587 WeakPolarHBondContact O-CE2 3.5Å |
| 588 | E | 90.3 | Very high | 88.1 | Confident | 61 Ų | 61 | 19.5 Ų | 19.5 | 29% | 0.285 | 11% | 0.108 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | 142.7 | 172.1 | -170.8 | 170.2 | 154.2 | 0 | 0 | 111.3 | Q557 Q590 Y623 T745 | Q557-E588 PolarHBondContact O-N 3.13Å; E588-Q590 VanDerWaalsContact C-N 3.27Å; E588-Q590 PolarHBondContact O-N 3.3Å; E588-Y623 VanDerWaalsContact CD-OH 3.29Å; E588-Y623 PolarHBondContact OE2-OH 3.44Å; E588-T745 WeakPolarHBondContact CA-OG1 3.22Å |
| 589 | G | 87.4 | Confident | 87.6 | Confident | 9 Ų | 9 | 22.6 Ų | 22.6 | 9% | 0.093 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.1 | 5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | R741 K744 | G589-R741 CarbonylContact C-O 3.57Å; G589-R741 VanDerWaalsContact CA-O 3.24Å; G589-R741 WeakPolarHBondContact CA-O 3.4Å; G589-R741 WeakPolarHBondContact O-CG 3.35Å; G589-K744 PolarHBondContact N-O 3.27Å; G589-K744 VanDerWaalsContact N-O 3.1Å |
| 590 | Q | 88.5 | Confident | 87.2 | Confident | 6 Ų | 6 | 22.6 Ų | 22.6 | 3% | 0.028 | 14% | 0.141 | C | C | . | . | trans | -124.3 | 145.3 | -179.1 | -69.7 | -171.5 | -20 | 0 | 0 | 112.3 | L556 E588 I746 D761 | L556-Q590 HydrophobicContact CD1-CG 4.01Å; E588-Q590 VanDerWaalsContact C-N 3.27Å; E588-Q590 PolarHBondContact O-N 3.3Å; Q590-I746 PolarHBondContact O-N 3.24Å; Q590-D761 WeakPolarHBondContact CA-OD2 3.5Å; Q590-D761 HydrophobicContact CB-CB 4.33Å; Q590-D761 HydrophobicContact CG-CB 4.35Å | ||
| 591 | I | 92.6 | Very high | 87 | Confident | 0 Ų | 0 | 21.7 Ų | 21.7 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.6 | 109.4 | 165.6 | -56.6 | 176.4 | 0 | 0 | 0 | 108.2 | V593 L737 R741 I746 V748 L759 D761 R762 | I591-V593 HydrophobicContact CG2-CG2 4.17Å; I591-L737 HydrophobicContact CD1-CB 4.47Å; I591-R741 HydrophobicContact CD1-CB 4.19Å; I591-R741 HydrophobicContact CD1-CG 4.32Å; I591-R741 HydrophobicContact CG1-CB 4.22Å; I591-R741 HydrophobicContact CG1-CG 3.97Å; I591-I746 WeakPolarHBondContact CA-O 3.16Å; I591-I746 HydrophobicContact CG1-CB 4.09Å; I591-I746 HydrophobicContact CG1-CD1 4.14Å; I591-I746 HydrophobicContact CG1-CG2 4.46Å; I591-I746 HydrophobicContact CG2-CB 4.49Å; I591-I746 HydrophobicContact CG2-CG2 4.3Å; I591-V748 HydrophobicContact CG2-CG2 4.01Å; I591-L759 VanDerWaalsContact CB-O 3.3Å; I591-L759 WeakPolarHBondContact CB-O 3.41Å; I591-L759 HydrophobicContact CD1-CD2 4.49Å; I591-L759 HydrophobicContact CG2-CB 4.35Å; I591-D761 PolarHBondContact N-OD2 3.36Å; I591-D761 PolarHBondContact O-N 3.19Å; I591-R762 PolarHBondContact O-N 3.04Å |
| 592 | T | 93.7 | Very high | 87 | Confident | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.012 | 11% | 0.114 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.8 | 124.8 | 172.9 | -59.6 | 0 | 0 | 0 | 0 | 109.8 | M584 I586 I746 L747 V748 R762 | M584-T592 HydrophobicContact CE-CG2 3.9Å; I586-T592 HydrophobicContact CG1-CG2 4.43Å; T592-I746 PolarHBondContact N-O 2.99Å; T592-L747 HydrophobicContact CG2-CD1 4.35Å; T592-L747 WeakPolarHBondContact O-CA 3.2Å; T592-V748 PolarHBondContact O-N 2.85Å; T592-R762 CarbonylContact C-O 3.57Å; T592-R762 WeakPolarHBondContact CA-O 3.34Å |
| 593 | V | 94 | Very high | 86.8 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | 120 | -179.2 | -177.4 | 0 | 0 | 0 | 0 | 110.3 | I591 L595 V748 T750 A756 R762 I763 A764 | I591-V593 HydrophobicContact CG2-CG2 4.17Å; V593-L595 HydrophobicContact CG1-CD2 4Å; V593-L595 HydrophobicContact CG1-CG 4.19Å; V593-V748 CarbonylContact C-O 3.59Å; V593-V748 VanDerWaalsContact CA-O 3.29Å; V593-V748 WeakPolarHBondContact CA-O 3.13Å; V593-T750 HydrophobicContact CG1-CG2 3.65Å; V593-A756 HydrophobicContact CB-CB 4.42Å; V593-A756 HydrophobicContact CG1-CB 3.7Å; V593-R762 PolarHBondContact N-O 3.45Å; V593-I763 HydrophobicContact CB-CG1 4.47Å; V593-I763 WeakPolarHBondContact O-CA 3.35Å; V593-A764 PolarHBondContact O-N 2.9Å |
| 594 | L | 92.3 | Very high | 86.6 | Confident | 2 Ų | 2 | 18.7 Ų | 18.7 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 110.5 | 175.7 | -175.9 | 67 | 0 | 0 | 0 | 110.6 | K602 L747 V748 T749 A764 M766 | L594-K602 HydrophobicContact CD2-CB 4.22Å; L594-K602 HydrophobicContact CD2-CG 4.31Å; L594-K602 HydrophobicContact CG-CG 4.33Å; L594-L747 HydrophobicContact CB-CD1 4.31Å; L594-V748 PolarHBondContact N-O 3.24Å; L594-T749 HydrophobicContact CB-CG2 4.08Å; L594-T749 HydrophobicContact CD2-CG2 4.22Å; L594-A764 HydrophobicContact CD1-CB 3.91Å; L594-M766 HydrophobicContact CD1-CB 4.28Å; L594-M766 HydrophobicContact CD1-SD 4.37Å |
| 595 | L | 88.1 | Confident | 86.6 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 12% | 0.117 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 157.8 | 178 | -65.5 | -178.2 | 0 | 0 | 0 | 111.8 | V593 T750 M753 A756 I763 A764 I765 M766 F866 | V593-L595 HydrophobicContact CG1-CD2 4Å; V593-L595 HydrophobicContact CG1-CG 4.19Å; L595-T750 HydrophobicContact CD2-CG2 3.88Å; L595-T750 VanDerWaalsContact CD2-O 3.25Å; L595-T750 WeakPolarHBondContact CD2-O 3.49Å; L595-M753 HydrophobicContact CD1-CE 4.21Å; L595-M753 HydrophobicContact CD1-SD 3.49Å; L595-M753 WeakPolarHBondContact CD1-SD 3.4Å; L595-M753 HydrophobicContact CD2-CE 3.91Å; L595-M753 HydrophobicContact CD2-SD 3.76Å; L595-M753 HydrophobicContact CG-CE 4.48Å; L595-M753 HydrophobicContact CG-SD 4.21Å; L595-A756 HydrophobicContact CD1-CB 3.93Å; L595-A756 HydrophobicContact CD2-CB 3.87Å; L595-A756 HydrophobicContact CG-CB 4.2Å; L595-I763 HydrophobicContact CD1-CG2 3.37Å; L595-I763 HydrophobicContact CG-CG2 3.91Å; L595-A764 PolarHBondContact N-O 3.41Å; L595-I765 HydrophobicContact CB-CG1 4.24Å; L595-I765 HydrophobicContact CD1-CG1 4.43Å; L595-M766 PolarHBondContact O-N 3.08Å; L595-F866 HydrophobicContact CB-CE2 4.47Å |
| 596 | G | 83.8 | Confident | 86.6 | Confident | 0 Ų | 0 | 16.1 Ų | 16.1 | 0% | 0 | 11% | 0.107 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 165.6 | 159.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | K602 M766 | G596-K602 PolarHBondContact O-NZ 3.19Å; G596-M766 WeakPolarHBondContact CA-O 3.46Å |
| 597 | H | 76.1 | Confident | 86.3 | Confident | 44 Ų | 44 | 16.8 Ų | 16.8 | 20% | 0.204 | 11% | 0.111 | C | C | . | . | trans | -64.8 | 165.5 | 177.5 | 60.8 | 77.9 | 0 | 0 | 0 | 111.2 | G599 A600 K602 S767 G768 I1628 | H597-G599 PolarHBondContact O-N 2.76Å; H597-A600 VanDerWaalsContact CE1-CA 3.47Å; H597-A600 WeakPolarHBondContact CE1-CA 3.11Å; H597-A600 PolarHBondContact ND1-N 3.46Å; H597-A600 WeakPolarHBondContact O-CB 3.35Å; H597-A600 PolarHBondContact O-N 2.57Å; H597-K602 PolarHBondContact O-NZ 3.48Å; H597-S767 PolarHBondContact CD2-OG 3.25Å; H597-S767 PolarHBondContact NE2-OG 3.22Å; H597-G768 PolarHBondContact NE2-N 3.12Å; H597-I1628 HydrophobicContact CB-CD1 4.21Å | ||
| 598 | N | 74.1 | Confident | 86.1 | Confident | 40 Ų | 40 | 16.6 Ų | 16.6 | 21% | 0.214 | 11% | 0.11 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | 128.8 | 171.1 | -79.1 | -22.2 | 0 | 0 | 0 | 108.9 | H751 G1624 D1626 | N598-H751 PolarHBondContact OD1-CE1 3.09Å; N598-H751 PolarHBondContact OD1-NE2 2.99Å; N598-G1624 PolarHBondContact ND2-O 3.32Å; N598-D1626 HydrophobicContact CB-CB 4.04Å; N598-D1626 PolarHBondContact ND2-N 2.82Å; N598-D1626 VanDerWaalsContact ND2-N 3.12Å; N598-D1626 PolarHBondContact ND2-OD1 3.48Å; N598-D1626 VanDerWaalsContact ND2-OD1 3.14Å |
| 599 | G | 72 | Confident | 86 | Confident | 77 Ų | 77 | 13.7 Ų | 13.7 | 79% | 0.794 | 10% | 0.097 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 78.7 | 10.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 115.5 | H597 G601 | H597-G599 PolarHBondContact O-N 2.76Å; G599-G601 PolarHBondContact O-N 2.57Å |
| 600 | A | 80.4 | Confident | 86 | Confident | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -68.4 | -13.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | H597 M766 G769 | H597-A600 VanDerWaalsContact CE1-CA 3.47Å; H597-A600 WeakPolarHBondContact CE1-CA 3.11Å; H597-A600 PolarHBondContact ND1-N 3.46Å; H597-A600 WeakPolarHBondContact O-CB 3.35Å; H597-A600 PolarHBondContact O-N 2.57Å; A600-M766 WeakPolarHBondContact O-CE 3.42Å; A600-G769 VanDerWaalsContact O-CA 3.32Å; A600-G769 WeakPolarHBondContact O-CA 3.34Å; A600-G769 PolarHBondContact O-N 3.29Å |
| 601 | G | 82.6 | Confident | 85.5 | Confident | 5 Ų | 5 | 13.7 Ų | 13.7 | 5% | 0.052 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 111.1 | -5.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.7 | A578 G599 T603 T604 T605 M766 | A578-G601 WeakPolarHBondContact O-CA 3.28Å; G599-G601 PolarHBondContact O-N 2.57Å; G601-T603 PolarHBondContact O-N 2.86Å; G601-T604 CarbonylContact O-C 3.59Å; G601-T604 WeakPolarHBondContact O-CA 3.43Å; G601-T604 VanDerWaalsContact O-CB 3.24Å; G601-T604 WeakPolarHBondContact O-CB 3.39Å; G601-T604 PolarHBondContact O-N 3.45Å; G601-T605 PolarHBondContact O-N 3.45Å; G601-T605 PolarHBondContact O-OG1 3.44Å; G601-T605 VanDerWaalsContact O-OG1 3.13Å; G601-M766 VanDerWaalsContact CA-CE 3.43Å |
| 602 | K | 87.7 | Confident | 84.7 | Confident | 8 Ų | 8 | 14.8 Ų | 14.8 | 4% | 0.035 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -50.8 | -61.2 | -172.3 | -54.8 | -172.9 | -59.4 | -71.8 | 0 | 115.2 | L594 G596 H597 T604 T605 L606 T749 H751 | L594-K602 HydrophobicContact CD2-CB 4.22Å; L594-K602 HydrophobicContact CD2-CG 4.31Å; L594-K602 HydrophobicContact CG-CG 4.33Å; G596-K602 PolarHBondContact O-NZ 3.19Å; H597-K602 PolarHBondContact O-NZ 3.48Å; K602-T604 PolarHBondContact O-N 2.98Å; K602-T605 WeakPolarHBondContact O-CB 3.26Å; K602-T605 PolarHBondContact O-N 3.25Å; K602-T605 VanDerWaalsContact O-N 3.12Å; K602-L606 PolarHBondContact O-N 3.38Å; K602-T749 HydrophobicContact CB-CG2 4.02Å; K602-H751 WeakPolarHBondContact CE-NE2 3.33Å; K602-H751 PolarHBondContact NZ-CE1 2.88Å; K602-H751 PolarHBondContact NZ-NE2 3.38Å; K602-H751 VanDerWaalsContact NZ-NE2 3.19Å |
| 603 | T | 84.2 | Confident | 83.9 | Confident | 53 Ų | 53 | 17.5 Ų | 17.5 | 33% | 0.325 | 11% | 0.114 | S | C | . | . | H | α-helix | trans | -63.2 | -30.6 | 178.9 | -52.8 | 0 | 0 | 0 | 0 | 111.5 | G601 L606 S607 D719 | G601-T603 PolarHBondContact O-N 2.86Å; T603-L606 PolarHBondContact O-N 3.48Å; T603-S607 VanDerWaalsContact O-CB 3.23Å; T603-S607 WeakPolarHBondContact O-CB 3.49Å; T603-S607 PolarHBondContact O-N 2.72Å; T603-S607 PolarHBondContact O-OG 3.07Å; T603-D719 VanDerWaalsContact CG2-OD2 3.25Å; T603-D719 WeakPolarHBondContact CG2-OD2 3.36Å; T603-D719 PolarHBondContact OG1-OD1 2.82Å |
| 604 | T | 86.7 | Confident | 83.2 | Confident | 26 Ų | 26 | 19.9 Ų | 19.9 | 16% | 0.16 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -65.1 | -45.1 | 174.3 | -57.1 | 0 | 0 | 0 | 0 | 110.6 | K567 Y569 A578 V579 G601 K602 S607 I608 | K567-T604 HydrophobicContact CB-CG2 4.08Å; K567-T604 HydrophobicContact CG-CG2 3.69Å; Y569-T604 HydrophobicContact CE2-CG2 3.92Å; A578-T604 HydrophobicContact CB-CG2 4.1Å; V579-T604 HydrophobicContact CG2-CG2 4.25Å; G601-T604 CarbonylContact O-C 3.59Å; G601-T604 WeakPolarHBondContact O-CA 3.43Å; G601-T604 VanDerWaalsContact O-CB 3.24Å; G601-T604 WeakPolarHBondContact O-CB 3.39Å; G601-T604 PolarHBondContact O-N 3.45Å; K602-T604 PolarHBondContact O-N 2.98Å; T604-S607 PolarHBondContact O-N 3.04Å; T604-I608 HydrophobicContact CG2-CD1 4.12Å; T604-I608 VanDerWaalsContact O-CG1 3.27Å; T604-I608 WeakPolarHBondContact O-CG1 3.02Å; T604-I608 PolarHBondContact O-N 3.01Å |
| 605 | T | 90 | Very high | 82.9 | Confident | 2 Ų | 2 | 21 Ų | 21 | 1% | 0.012 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -57.9 | -50.7 | 173.5 | -52.8 | 0 | 0 | 0 | 0 | 111.1 | I562 L565 L582 G601 K602 S607 I608 L609 | I562-T605 HydrophobicContact CD1-CG2 4.48Å; L565-T605 HydrophobicContact CD2-CG2 4.18Å; L582-T605 HydrophobicContact CD2-CG2 3.51Å; G601-T605 PolarHBondContact O-N 3.45Å; G601-T605 PolarHBondContact O-OG1 3.44Å; G601-T605 VanDerWaalsContact O-OG1 3.13Å; K602-T605 WeakPolarHBondContact O-CB 3.26Å; K602-T605 PolarHBondContact O-N 3.25Å; K602-T605 VanDerWaalsContact O-N 3.12Å; T605-S607 VanDerWaalsContact C-N 3.3Å; T605-S607 PolarHBondContact O-N 3.4Å; T605-I608 WeakPolarHBondContact O-CB 3.37Å; T605-I608 PolarHBondContact O-N 3.06Å; T605-L609 HydrophobicContact CG2-CD1 4.4Å; T605-L609 WeakPolarHBondContact O-CG 3.1Å; T605-L609 PolarHBondContact O-N 3.39Å |
| 606 | L | 90.5 | Very high | 82.8 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.7 | -39.2 | 177.7 | -64.2 | -168.5 | 0 | 0 | 0 | 112.9 | K602 T603 I608 L609 T610 I717 D719 L747 T749 | K602-L606 PolarHBondContact O-N 3.38Å; T603-L606 PolarHBondContact O-N 3.48Å; L606-I608 PolarHBondContact O-N 2.89Å; L606-L609 HydrophobicContact CD2-CD1 4.34Å; L606-L609 PolarHBondContact O-N 2.87Å; L606-T610 WeakPolarHBondContact O-CB 3.46Å; L606-T610 VanDerWaalsContact O-CG2 3.3Å; L606-T610 WeakPolarHBondContact O-CG2 3.21Å; L606-T610 PolarHBondContact O-N 3.48Å; L606-T610 PolarHBondContact O-OG1 3.25Å; L606-I717 HydrophobicContact CB-CG2 4.22Å; L606-I717 HydrophobicContact CD1-CG2 3.85Å; L606-I717 HydrophobicContact CD2-CG2 3.59Å; L606-I717 HydrophobicContact CG-CG2 4.08Å; L606-D719 HydrophobicContact CD1-CB 3.74Å; L606-L747 HydrophobicContact CD2-CD2 3.43Å; L606-L747 VanDerWaalsContact CD2-CD2 3.43Å; L606-L747 HydrophobicContact CD2-CG 3.97Å; L606-T749 HydrophobicContact CD1-CG2 3.48Å; L606-T749 VanDerWaalsContact CD1-CG2 3.48Å; L606-T749 HydrophobicContact CD2-CG2 4.33Å; L606-T749 HydrophobicContact CG-CG2 3.9Å |
| 607 | S | 85.9 | Confident | 83 | Confident | 13 Ų | 13 | 27.3 Ų | 27.3 | 9% | 0.091 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -67.8 | -26.8 | 177.5 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | T603 T604 T605 T610 G611 L612 Y613 | T603-S607 VanDerWaalsContact O-CB 3.23Å; T603-S607 WeakPolarHBondContact O-CB 3.49Å; T603-S607 PolarHBondContact O-N 2.72Å; T603-S607 PolarHBondContact O-OG 3.07Å; T604-S607 PolarHBondContact O-N 3.04Å; T605-S607 VanDerWaalsContact C-N 3.3Å; T605-S607 PolarHBondContact O-N 3.4Å; S607-T610 WeakPolarHBondContact CA-OG1 3.49Å; S607-T610 PolarHBondContact O-OG1 2.83Å; S607-G611 PolarHBondContact O-N 2.99Å; S607-L612 WeakPolarHBondContact O-CA 3.41Å; S607-L612 WeakPolarHBondContact O-CB 3.36Å; S607-L612 PolarHBondContact O-N 3.32Å; S607-Y613 PolarHBondContact O-N 2.97Å |
| 608 | I | 87.6 | Confident | 83.5 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -74.1 | -48.7 | 171.9 | -66.7 | 162.3 | 0 | 0 | 0 | 109.9 | L565 K567 T604 T605 L606 T610 G611 Y613 P615 I627 | L565-I608 HydrophobicContact CD1-CG2 4.07Å; L565-I608 HydrophobicContact CD2-CB 4.48Å; L565-I608 HydrophobicContact CD2-CD1 4.32Å; L565-I608 HydrophobicContact CD2-CG2 4.13Å; K567-I608 HydrophobicContact CB-CD1 3.79Å; K567-I608 HydrophobicContact CD-CD1 4.32Å; K567-I608 HydrophobicContact CG-CD1 4.08Å; T604-I608 HydrophobicContact CG2-CD1 4.12Å; T604-I608 VanDerWaalsContact O-CG1 3.27Å; T604-I608 WeakPolarHBondContact O-CG1 3.02Å; T604-I608 PolarHBondContact O-N 3.01Å; T605-I608 WeakPolarHBondContact O-CB 3.37Å; T605-I608 PolarHBondContact O-N 3.06Å; L606-I608 PolarHBondContact O-N 2.89Å; I608-T610 PolarHBondContact O-N 3.15Å; I608-G611 PolarHBondContact O-N 3.49Å; I608-Y613 WeakPolarHBondContact CA-O 3.31Å; I608-P615 HydrophobicContact CG2-CB 4.07Å; I608-P615 HydrophobicContact CG2-CG 4.36Å; I608-I627 WeakPolarHBondContact O-CG2 3.15Å |
| 609 | L | 88.5 | Confident | 84.2 | Confident | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58.2 | -33.2 | 178.8 | -65.4 | 176.1 | 0 | 0 | 0 | 113.2 | I560 I562 T605 L606 A620 I627 I717 L747 | I560-L609 HydrophobicContact CG2-CD2 4.24Å; I562-L609 HydrophobicContact CD1-CD1 4.13Å; I562-L609 HydrophobicContact CD1-CD2 4.11Å; I562-L609 HydrophobicContact CG1-CD2 4.23Å; T605-L609 HydrophobicContact CG2-CD1 4.4Å; T605-L609 WeakPolarHBondContact O-CG 3.1Å; T605-L609 PolarHBondContact O-N 3.39Å; L606-L609 HydrophobicContact CD2-CD1 4.34Å; L606-L609 PolarHBondContact O-N 2.87Å; L609-A620 HydrophobicContact CD2-CB 3.69Å; L609-I627 HydrophobicContact CD2-CD1 3.86Å; L609-I717 HydrophobicContact CB-CD1 3.91Å; L609-I717 HydrophobicContact CD1-CD1 4.22Å; L609-L747 HydrophobicContact CD1-CD2 3.77Å |
| 610 | T | 85.7 | Confident | 85.1 | Confident | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.006 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.5 | -7.4 | 177.9 | 52 | 0 | 0 | 0 | 0 | 113.9 | L261 L606 S607 I608 H635 L638 F640 I717 | L261-T610 WeakPolarHBondContact CD2-O 3.36Å; L606-T610 WeakPolarHBondContact O-CB 3.46Å; L606-T610 VanDerWaalsContact O-CG2 3.3Å; L606-T610 WeakPolarHBondContact O-CG2 3.21Å; L606-T610 PolarHBondContact O-N 3.48Å; L606-T610 PolarHBondContact O-OG1 3.25Å; S607-T610 WeakPolarHBondContact CA-OG1 3.49Å; S607-T610 PolarHBondContact O-OG1 2.83Å; I608-T610 PolarHBondContact O-N 3.15Å; T610-H635 PolarHBondContact O-NE2 2.71Å; T610-L638 HydrophobicContact CG2-CD2 4.1Å; T610-F640 HydrophobicContact CG2-CB 4.25Å; T610-F640 HydrophobicContact CG2-CD1 4.47Å; T610-F640 HydrophobicContact CG2-CD2 3.45Å; T610-F640 VanDerWaalsContact CG2-CD2 3.45Å; T610-F640 HydrophobicContact CG2-CE2 3.81Å; T610-F640 HydrophobicContact CG2-CG 3.81Å; T610-F640 HydrophobicContact CG2-CZ 4.44Å; T610-I717 HydrophobicContact CG2-CD1 4.34Å |
| 611 | G | 78.7 | Confident | 85.5 | Confident | 14 Ų | 14 | 23.9 Ų | 23.9 | 14% | 0.144 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 11.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | S607 I608 | S607-G611 PolarHBondContact O-N 2.99Å; I608-G611 PolarHBondContact O-N 3.49Å |
| 612 | L | 75.8 | Confident | 85.9 | Confident | 24 Ų | 24 | 23.7 Ų | 23.7 | 13% | 0.126 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -71.7 | -33.2 | 174.8 | -70.8 | 170.4 | 0 | 0 | 0 | 112.5 | L261 S607 | L261-L612 HydrophobicContact CD1-CD1 4.31Å; L261-L612 HydrophobicContact CD1-CD2 4.22Å; L261-L612 HydrophobicContact CD1-CG 4.46Å; L261-L612 HydrophobicContact CD2-CD2 4.19Å; L261-L612 HydrophobicContact CD2-CG 4.15Å; L261-L612 HydrophobicContact CG-CD2 4.34Å; S607-L612 WeakPolarHBondContact O-CA 3.41Å; S607-L612 WeakPolarHBondContact O-CB 3.36Å; S607-L612 PolarHBondContact O-N 3.32Å |
| 613 | Y | 77.6 | Confident | 85.8 | Confident | 58 Ų | 58 | 25.4 Ų | 25.4 | 23% | 0.227 | 16% | 0.156 | C | C | . | . | S | Bend | trans | -128.2 | 142.3 | 173.2 | -64.6 | -60.2 | 0 | 0 | 0 | 111.5 | S607 I608 | S607-Y613 PolarHBondContact O-N 2.97Å; I608-Y613 WeakPolarHBondContact CA-O 3.31Å |
| 614 | P | 78.9 | Confident | 85.6 | Confident | 50 Ų | 50 | 26.2 Ų | 26.2 | 33% | 0.325 | 18% | 0.176 | S | C | . | . | trans | -76.2 | 146.7 | 172.8 | 32.2 | -33.7 | 0 | 0 | 0 | 110.8 | I445 K567 | I445-P614 HydrophobicContact CD1-CB 4.24Å; I445-P614 HydrophobicContact CG2-CB 4.39Å; I445-P614 HydrophobicContact CG2-CG 3.99Å; K567-P614 WeakPolarHBondContact CE-O 3.48Å; K567-P614 PolarHBondContact NZ-O 3.01Å | ||
| 615 | P | 86.4 | Confident | 85.5 | Confident | 25 Ų | 25 | 27.9 Ų | 27.9 | 16% | 0.162 | 18% | 0.181 | C | C | . | . | trans | -66.8 | 152.5 | 167.6 | 28.8 | -32.8 | 0 | 0 | 0 | 111.2 | L565 I608 R628 | L565-P615 HydrophobicContact CD1-CB 3.85Å; I608-P615 HydrophobicContact CG2-CB 4.07Å; I608-P615 HydrophobicContact CG2-CG 4.36Å; P615-R628 HydrophobicContact CG-CG 4.17Å | ||
| 616 | T | 85.7 | Confident | 85.4 | Confident | 79 Ų | 79 | 29.4 Ų | 29.4 | 49% | 0.485 | 19% | 0.19 | S | C | . | . | S | Bend | trans | -82.9 | -43.6 | 171.9 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | C566 V568 | C566-T616 WeakPolarHBondContact O-CB 3.25Å; C566-T616 PolarHBondContact O-N 3.16Å; V568-T616 PolarHBondContact N-OG1 3.08Å; V568-T616 VanDerWaalsContact N-OG1 3.11Å |
| 617 | S | 86.8 | Confident | 85.1 | Confident | 55 Ų | 55 | 30 Ų | 30 | 39% | 0.385 | 19% | 0.192 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 167.8 | 169.5 | 64.2 | 0 | 0 | 0 | 0 | 109.5 | C566 | C566-S617 WeakPolarHBondContact CB-OG 3.23Å; C566-S617 PolarHBondContact N-O 2.86Å; C566-S617 PolarHBondContact O-N 3.21Å; C566-S617 PolarHBondContact SG-OG 2.66Å; C566-S617 VanDerWaalsContact SG-OG 3.33Å |
| 618 | G | 87.3 | Confident | 84.9 | Confident | 22 Ų | 22 | 35.5 Ų | 35.5 | 23% | 0.227 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 74.6 | 169.5 | -174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | D563 H564 R628 | D563-G618 WeakPolarHBondContact O-CA 3.28Å; H564-G618 WeakPolarHBondContact O-CA 3.5Å; G618-R628 PolarHBondContact O-NE 2.88Å; G618-R628 PolarHBondContact O-NH2 2.91Å |
| 619 | T | 89.9 | Confident | 84.4 | Confident | 30 Ų | 30 | 42 Ų | 42 | 18% | 0.184 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 169.4 | -179.3 | -157.6 | 0 | 0 | 0 | 0 | 111.1 | D563 D626 | D563-T619 PolarHBondContact N-O 2.96Å; D563-T619 PolarHBondContact O-N 3.22Å; T619-D626 PolarHBondContact OG1-OD1 2.88Å; T619-D626 PolarHBondContact OG1-OD2 2.95Å |
| 620 | A | 89.8 | Confident | 84 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.008 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 145.7 | 167 | 0 | 0 | 0 | 0 | 0 | 109.5 | S561 I562 L609 I627 | S561-A620 CarbonylContact O-C 3.6Å; S561-A620 WeakPolarHBondContact O-CA 3.44Å; S561-A620 VanDerWaalsContact O-CB 3.3Å; S561-A620 WeakPolarHBondContact O-CB 3.41Å; I562-A620 HydrophobicContact CB-CB 4.31Å; I562-A620 HydrophobicContact CG1-CB 4.09Å; I562-A620 HydrophobicContact CG2-CB 4.29Å; L609-A620 HydrophobicContact CD2-CB 3.69Å; A620-I627 HydrophobicContact CB-CD1 3.25Å; A620-I627 HydrophobicContact CB-CG1 4.43Å; A620-I627 VanDerWaalsContact O-CD1 3.25Å; A620-I627 WeakPolarHBondContact O-CD1 3.5Å; A620-I627 WeakPolarHBondContact O-CG1 3.41Å; A620-I627 PolarHBondContact O-N 3.25Å; A620-I627 VanDerWaalsContact O-N 3.17Å |
| 621 | C | 89.9 | Confident | 83.6 | Confident | 35 Ų | 35 | 47.5 Ų | 47.5 | 24% | 0.236 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 130.3 | -175 | -65.9 | 0 | 0 | 0 | 0 | 109.4 | I560 S561 H625 | I560-C621 WeakPolarHBondContact CA-O 3.33Å; S561-C621 PolarHBondContact N-O 2.7Å; S561-C621 PolarHBondContact O-N 3.1Å; C621-H625 CarbonylContact C-O 3.59Å; C621-H625 VanDerWaalsContact CA-O 3.3Å; C621-H625 WeakPolarHBondContact CA-O 3.35Å |
| 622 | I | 89.7 | Confident | 83.2 | Confident | 1 Ų | 1 | 54.3 Ų | 54.3 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 113.7 | 177.5 | -61.3 | 177.3 | 0 | 0 | 0 | 108 | G559 I560 G624 H625 I634 V715 | G559-I622 WeakPolarHBondContact O-CA 3.45Å; I560-I622 HydrophobicContact CG1-CG1 4.31Å; I560-I622 HydrophobicContact CG2-CG1 4.22Å; I622-G624 PolarHBondContact O-N 3.33Å; I622-G624 VanDerWaalsContact O-N 3.09Å; I622-H625 PolarHBondContact N-O 3.19Å; I622-H625 PolarHBondContact O-N 2.78Å; I622-I634 HydrophobicContact CB-CG1 4.29Å; I622-I634 HydrophobicContact CD1-CD1 4.48Å; I622-I634 HydrophobicContact CD1-CG2 3.69Å; I622-V715 HydrophobicContact CG2-CB 4.4Å; I622-V715 HydrophobicContact CG2-CG2 3.74Å |
| 623 | Y | 86.2 | Confident | 83.1 | Confident | 44 Ų | 44 | 53.6 Ų | 53.6 | 17% | 0.173 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 44.4 | 40.3 | -173.2 | -80.1 | -85.2 | 0 | 0 | 0 | 113.6 | G559 E588 K714 V715 T745 | G559-Y623 PolarHBondContact O-N 2.86Å; E588-Y623 VanDerWaalsContact CD-OH 3.29Å; E588-Y623 PolarHBondContact OE2-OH 3.44Å; Y623-K714 HydrophobicContact CD2-CB 4.34Å; Y623-K714 HydrophobicContact CE1-CD 4.44Å; Y623-K714 HydrophobicContact CE2-CB 3.76Å; Y623-K714 HydrophobicContact CE2-CD 4.45Å; Y623-V715 HydrophobicContact CD2-CG2 3.53Å; Y623-V715 HydrophobicContact CE2-CG2 3.4Å; Y623-T745 PolarHBondContact OH-OG1 2.67Å |
| 624 | G | 79.8 | Confident | 83.2 | Confident | 71 Ų | 71 | 50.9 Ų | 50.9 | 73% | 0.732 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | -5.8 | 179.4 | 0 | 0 | 0 | 0 | 0 | 116 | I622 | I622-G624 PolarHBondContact O-N 3.33Å; I622-G624 VanDerWaalsContact O-N 3.09Å |
| 625 | H | 85.7 | Confident | 83.3 | Confident | 61 Ų | 61 | 49.8 Ų | 49.8 | 28% | 0.282 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 123.8 | 176.6 | -61.8 | -87.2 | 0 | 0 | 0 | 111.7 | C621 I622 D630 I634 | C621-H625 CarbonylContact C-O 3.59Å; C621-H625 VanDerWaalsContact CA-O 3.3Å; C621-H625 WeakPolarHBondContact CA-O 3.35Å; I622-H625 PolarHBondContact N-O 3.19Å; I622-H625 PolarHBondContact O-N 2.78Å; H625-D630 IonicContact CE1-OD2 3.32Å; H625-D630 IonicContact CG-OD2 2.88Å; H625-D630 IonicContact ND1-OD2 2.89Å; H625-D630 PolarHBondContact ND1-OD2 2.87Å; H625-I634 HydrophobicContact CB-CD1 4.43Å; H625-I634 HydrophobicContact CB-CG1 3.73Å |
| 626 | D | 86.9 | Confident | 82.7 | Confident | 34 Ų | 34 | 55 Ų | 55 | 18% | 0.182 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.1 | 130.1 | 178.2 | -176.3 | -33.8 | 0 | 0 | 0 | 111.2 | T619 R628 N629 D630 | T619-D626 PolarHBondContact OG1-OD1 2.88Å; T619-D626 PolarHBondContact OG1-OD2 2.95Å; D626-R628 PolarHBondContact O-N 2.68Å; D626-R628 WeakPolarHBondContact OD1-CB 3.42Å; D626-R628 PolarHBondContact OD1-N 3.46Å; D626-N629 HydrophobicContact CB-CB 4.44Å; D626-N629 PolarHBondContact O-N 3.15Å; D626-N629 VanDerWaalsContact O-N 3.15Å; D626-D630 PolarHBondContact O-N 3.17Å |
| 627 | I | 84.6 | Confident | 82.5 | Confident | 11 Ų | 11 | 53.4 Ų | 53.4 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -26.9 | -178.2 | -49.8 | 149.8 | 0 | 0 | 0 | 113.6 | I608 L609 A620 I631 I634 | I608-I627 WeakPolarHBondContact O-CG2 3.15Å; L609-I627 HydrophobicContact CD2-CD1 3.86Å; A620-I627 HydrophobicContact CB-CD1 3.25Å; A620-I627 HydrophobicContact CB-CG1 4.43Å; A620-I627 VanDerWaalsContact O-CD1 3.25Å; A620-I627 WeakPolarHBondContact O-CD1 3.5Å; A620-I627 WeakPolarHBondContact O-CG1 3.41Å; A620-I627 PolarHBondContact O-N 3.25Å; A620-I627 VanDerWaalsContact O-N 3.17Å; I627-I631 HydrophobicContact CG2-CD1 4.27Å; I627-I631 HydrophobicContact CG2-CG1 4.21Å; I627-I631 WeakPolarHBondContact O-CD1 3.48Å; I627-I631 WeakPolarHBondContact O-CG1 3.3Å; I627-I634 VanDerWaalsContact CA-CD1 3.46Å; I627-I634 HydrophobicContact CB-CD1 4.03Å; I627-I634 HydrophobicContact CG1-CD1 3.71Å; I627-I634 HydrophobicContact CG2-CD1 4.45Å |
| 628 | R | 80.4 | Confident | 82.5 | Confident | 129 Ų | 129 | 51 Ų | 51 | 49% | 0.487 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.6 | -33.3 | 179.2 | -65.1 | 176.7 | 172.2 | -144.6 | -6.7 | 112.2 | P615 G618 D626 | P615-R628 HydrophobicContact CG-CG 4.17Å; G618-R628 PolarHBondContact O-NE 2.88Å; G618-R628 PolarHBondContact O-NH2 2.91Å; D626-R628 PolarHBondContact O-N 2.68Å; D626-R628 WeakPolarHBondContact OD1-CB 3.42Å; D626-R628 PolarHBondContact OD1-N 3.46Å |
| 629 | N | 78.9 | Confident | 82.5 | Confident | 137 Ų | 137 | 50 Ų | 50 | 73% | 0.733 | 26% | 0.264 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.5 | -37.2 | -167.8 | -63.8 | -32.1 | 0 | 0 | 0 | 112.5 | D626 | D626-N629 HydrophobicContact CB-CB 4.44Å; D626-N629 PolarHBondContact O-N 3.15Å; D626-N629 VanDerWaalsContact O-N 3.15Å |
| 630 | D | 79 | Confident | 82.5 | Confident | 62 Ų | 62 | 50.2 Ų | 50.2 | 33% | 0.332 | 26% | 0.263 | S | S | . | . | trans | -137.4 | 72.5 | -171.6 | -170.9 | 8.1 | 0 | 0 | 0 | 112.6 | H625 D626 E632 G633 I634 | H625-D630 IonicContact CE1-OD2 3.32Å; H625-D630 IonicContact CG-OD2 2.88Å; H625-D630 IonicContact ND1-OD2 2.89Å; H625-D630 PolarHBondContact ND1-OD2 2.87Å; D626-D630 PolarHBondContact O-N 3.17Å; D630-E632 VanDerWaalsContact C-N 3.34Å; D630-G633 PolarHBondContact OD1-N 2.85Å; D630-G633 VanDerWaalsContact OD1-N 3.07Å; D630-I634 WeakPolarHBondContact O-CD1 3.45Å; D630-I634 WeakPolarHBondContact O-CG1 3.4Å | ||
| 631 | I | 76.6 | Confident | 82.5 | Confident | 54 Ų | 54 | 50.3 Ų | 50.3 | 28% | 0.277 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -73 | -26.5 | 177.6 | -112 | 162.9 | 0 | 0 | 0 | 112.7 | I627 I634 H635 | I627-I631 HydrophobicContact CG2-CD1 4.27Å; I627-I631 HydrophobicContact CG2-CG1 4.21Å; I627-I631 WeakPolarHBondContact O-CD1 3.48Å; I627-I631 WeakPolarHBondContact O-CG1 3.3Å; I631-I634 PolarHBondContact O-N 2.94Å; I631-H635 PolarHBondContact O-N 3.09Å; I631-H635 VanDerWaalsContact O-N 3.08Å |
| 632 | E | 71.8 | Confident | 82.2 | Confident | 158 Ų | 158 | 50.4 Ų | 50.4 | 74% | 0.738 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -71 | -45.8 | -177.9 | -68.5 | -175.6 | 179.3 | 0 | 0 | 110.4 | D630 I634 H635 E636 | D630-E632 VanDerWaalsContact C-N 3.34Å; E632-I634 PolarHBondContact O-N 3.27Å; E632-H635 PolarHBondContact O-N 2.93Å; E632-H635 VanDerWaalsContact O-N 3.16Å; E632-E636 PolarHBondContact O-N 3.25Å |
| 633 | G | 72.7 | Confident | 81.7 | Confident | 9 Ų | 9 | 53.6 Ų | 53.6 | 9% | 0.093 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.6 | -27.4 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | D630 N637 | D630-G633 PolarHBondContact OD1-N 2.85Å; D630-G633 VanDerWaalsContact OD1-N 3.07Å; G633-N637 PolarHBondContact O-ND2 3.39Å |
| 634 | I | 80.6 | Confident | 81.2 | Confident | 1 Ų | 1 | 57.8 Ų | 57.8 | 1% | 0.005 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -69.8 | -48.1 | 172.4 | -67.5 | 172.8 | 0 | 0 | 0 | 111.1 | I622 H625 I627 D630 I631 E632 E636 N637 L638 | I622-I634 HydrophobicContact CB-CG1 4.29Å; I622-I634 HydrophobicContact CD1-CD1 4.48Å; I622-I634 HydrophobicContact CD1-CG2 3.69Å; H625-I634 HydrophobicContact CB-CD1 4.43Å; H625-I634 HydrophobicContact CB-CG1 3.73Å; I627-I634 VanDerWaalsContact CA-CD1 3.46Å; I627-I634 HydrophobicContact CB-CD1 4.03Å; I627-I634 HydrophobicContact CG1-CD1 3.71Å; I627-I634 HydrophobicContact CG2-CD1 4.45Å; D630-I634 WeakPolarHBondContact O-CD1 3.45Å; D630-I634 WeakPolarHBondContact O-CG1 3.4Å; I631-I634 PolarHBondContact O-N 2.94Å; E632-I634 PolarHBondContact O-N 3.27Å; I634-E636 VanDerWaalsContact C-N 3.26Å; I634-E636 PolarHBondContact O-N 3.48Å; I634-N637 PolarHBondContact O-N 3.03Å; I634-N637 VanDerWaalsContact O-N 3.12Å; I634-L638 HydrophobicContact CG2-CB 4.22Å; I634-L638 HydrophobicContact CG2-CD2 3.85Å; I634-L638 WeakPolarHBondContact O-CB 3.42Å; I634-L638 PolarHBondContact O-N 3.5Å |
| 635 | H | 79.7 | Confident | 81.4 | Confident | 26 Ų | 26 | 57 Ų | 57 | 12% | 0.12 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -65.5 | -27.3 | -175.5 | -72.6 | 177 | 0 | 0 | 0 | 113.4 | T610 I631 E632 N637 | T610-H635 PolarHBondContact O-NE2 2.71Å; I631-H635 PolarHBondContact O-N 3.09Å; I631-H635 VanDerWaalsContact O-N 3.08Å; E632-H635 PolarHBondContact O-N 2.93Å; E632-H635 VanDerWaalsContact O-N 3.16Å; H635-N637 VanDerWaalsContact C-N 3.34Å |
| 636 | E | 75.3 | Confident | 81.3 | Confident | 136 Ų | 136 | 55.1 Ų | 55.1 | 64% | 0.636 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -62.6 | -40.3 | 172.6 | -70.8 | -175.7 | 172.3 | 0 | 0 | 112 | E632 I634 | E632-E636 PolarHBondContact O-N 3.25Å; I634-E636 VanDerWaalsContact C-N 3.26Å; I634-E636 PolarHBondContact O-N 3.48Å |
| 637 | N | 80.8 | Confident | 81.4 | Confident | 44 Ų | 44 | 54.1 Ų | 54.1 | 24% | 0.235 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -96.4 | -5.7 | -176.1 | -67 | -64.1 | 0 | 0 | 0 | 114.4 | G633 I634 H635 K714 V715 | G633-N637 PolarHBondContact O-ND2 3.39Å; I634-N637 PolarHBondContact O-N 3.03Å; I634-N637 VanDerWaalsContact O-N 3.12Å; H635-N637 VanDerWaalsContact C-N 3.34Å; N637-K714 PolarHBondContact O-N 3.19Å; N637-K714 VanDerWaalsContact O-N 3.12Å; N637-V715 PolarHBondContact O-N 3.31Å; N637-V715 VanDerWaalsContact O-N 3.12Å |
| 638 | L | 86.7 | Confident | 81.4 | Confident | 5 Ų | 5 | 54.1 Ų | 54.1 | 3% | 0.026 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.9 | 119.1 | -170.3 | -175.5 | 66.9 | 0 | 0 | 0 | 113.6 | T610 I634 R664 V715 I717 | T610-L638 HydrophobicContact CG2-CD2 4.1Å; I634-L638 HydrophobicContact CG2-CB 4.22Å; I634-L638 HydrophobicContact CG2-CD2 3.85Å; I634-L638 WeakPolarHBondContact O-CB 3.42Å; I634-L638 PolarHBondContact O-N 3.5Å; L638-R664 PolarHBondContact O-NH1 3.25Å; L638-R664 PolarHBondContact O-NH2 3.44Å; L638-R664 VanDerWaalsContact O-NH2 3.08Å; L638-V715 HydrophobicContact CD1-CB 3.96Å; L638-V715 HydrophobicContact CD1-CG1 3.62Å; L638-I717 HydrophobicContact CD1-CD1 3.73Å; L638-I717 HydrophobicContact CD1-CG1 3.82Å |
| 639 | G | 88 | Confident | 81.5 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 129.9 | 163.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | A708 V715 I717 | G639-A708 VanDerWaalsContact CA-O 3.29Å; G639-A708 WeakPolarHBondContact CA-O 3.38Å; G639-V715 PolarHBondContact N-O 3.13Å; G639-I717 PolarHBondContact O-N 3.36Å |
| 640 | F | 89.2 | Confident | 81.8 | Confident | 36 Ų | 36 | 47 Ų | 47 | 16% | 0.158 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.1 | 130.7 | 174.8 | -179.6 | -112 | 0 | 0 | 0 | 112.1 | L261 T610 I717 D719 | L261-F640 HydrophobicContact CD1-CD1 3.71Å; L261-F640 HydrophobicContact CD1-CE1 4.06Å; T610-F640 HydrophobicContact CG2-CB 4.25Å; T610-F640 HydrophobicContact CG2-CD1 4.47Å; T610-F640 HydrophobicContact CG2-CD2 3.45Å; T610-F640 VanDerWaalsContact CG2-CD2 3.45Å; T610-F640 HydrophobicContact CG2-CE2 3.81Å; T610-F640 HydrophobicContact CG2-CG 3.81Å; T610-F640 HydrophobicContact CG2-CZ 4.44Å; F640-I717 WeakPolarHBondContact CA-O 3.24Å; F640-I717 HydrophobicContact CD2-CB 4.02Å; F640-I717 HydrophobicContact CD2-CG2 3.78Å; F640-I717 HydrophobicContact CE2-CG2 3.99Å; F640-D719 HydrophobicContact CE2-CB 4.35Å; F640-D719 HydrophobicContact CZ-CB 4.47Å |
| 641 | C | 89.3 | Confident | 82.2 | Confident | 3 Ų | 3 | 44.2 Ų | 44.2 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 117.8 | 168.1 | -167.2 | 0 | 0 | 0 | 0 | 109.7 | I717 L718 D719 | C641-I717 PolarHBondContact N-O 3.39Å; C641-L718 HydrophobicContact CB-CD2 3.3Å; C641-D719 PolarHBondContact O-N 2.84Å |
| 642 | S | 84.9 | Confident | 82.9 | Confident | 36 Ų | 36 | 42.2 Ų | 42.2 | 25% | 0.252 | 22% | 0.215 | S | C | . | . | trans | -76.4 | 162.3 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 113 | H644 R701 | S642-H644 PolarHBondContact O-N 3.42Å; S642-H644 VanDerWaalsContact O-N 3.16Å; S642-H644 PolarHBondContact OG-O 3.02Å; S642-R701 PolarHBondContact O-NH1 3.06Å | ||
| 643 | Q | 79.2 | Confident | 83.9 | Confident | 69 Ų | 69 | 34.7 Ų | 34.7 | 32% | 0.322 | 18% | 0.18 | S | C | . | . | S | Bend | trans | -55.8 | -29.9 | 173.6 | -171 | -176.6 | 32.5 | 0 | 0 | 113.8 | R701 D719 E720 | Q643-R701 PolarHBondContact O-NH2 3.3Å; Q643-D719 VanDerWaalsContact CA-O 3.3Å; Q643-D719 WeakPolarHBondContact CA-O 3.47Å; Q643-D719 PolarHBondContact N-O 2.82Å; Q643-E720 HydrophobicContact CG-CB 4.29Å; Q643-E720 VanDerWaalsContact NE2-CD 3.34Å; Q643-E720 PolarHBondContact NE2-OE2 3.34Å |
| 644 | H | 75.3 | Confident | 84.9 | Confident | 132 Ų | 132 | 36.3 Ų | 36.3 | 61% | 0.611 | 19% | 0.185 | S | C | * | . | S | Bend | trans | -111 | 141.6 | 177.3 | -61.2 | -36 | 0 | 0 | 0 | 111.2 | S642 V646 | S642-H644 PolarHBondContact O-N 3.42Å; S642-H644 VanDerWaalsContact O-N 3.16Å; S642-H644 PolarHBondContact OG-O 3.02Å; H644-V646 PolarHBondContact O-N 2.86Å |
| 645 | D | 82.6 | Confident | 85.4 | Confident | 54 Ų | 54 | 38.3 Ų | 38.3 | 29% | 0.289 | 19% | 0.194 | S | C | . | . | trans | -74.1 | 104.8 | 176.9 | -63.7 | -47.9 | 0 | 0 | 0 | 111.3 | L647 K700 R701 S704 | D645-L647 HydrophobicContact CB-CD1 4.07Å; D645-L647 HydrophobicContact CB-CG 4.28Å; D645-L647 PolarHBondContact O-N 3.08Å; D645-K700 HydrophobicContact CB-CB 4.33Å; D645-K700 WeakPolarHBondContact OD2-CB 3.47Å; D645-R701 WeakPolarHBondContact OD1-CA 3.24Å; D645-R701 IonicContact OD1-NE 3.02Å; D645-S704 WeakPolarHBondContact OD1-CB 3.45Å; D645-S704 PolarHBondContact OD1-OG 2.84Å | ||
| 646 | V | 85.2 | Confident | 86 | Confident | 21 Ų | 21 | 37.1 Ų | 37.1 | 13% | 0.127 | 19% | 0.189 | C | C | . | . | trans | -89.1 | 80.6 | 178.8 | -178.9 | 0 | 0 | 0 | 0 | 109.5 | I255 M258 H644 | I255-V646 HydrophobicContact CB-CG1 4.21Å; I255-V646 HydrophobicContact CG1-CG1 3.66Å; M258-V646 HydrophobicContact CB-CB 4.36Å; M258-V646 HydrophobicContact CB-CG1 3.85Å; M258-V646 HydrophobicContact CE-CB 4.48Å; M258-V646 HydrophobicContact CE-CG1 4.19Å; M258-V646 WeakPolarHBondContact CE-O 3.25Å; M258-V646 HydrophobicContact CG-CG1 4.48Å; M258-V646 HydrophobicContact SD-CB 3.7Å; M258-V646 HydrophobicContact SD-CG1 3.9Å; H644-V646 PolarHBondContact O-N 2.86Å | ||
| 647 | L | 87.8 | Confident | 86.8 | Confident | 13 Ų | 13 | 30.6 Ų | 30.6 | 7% | 0.068 | 16% | 0.158 | C | C | . | . | trans | -121.5 | 156.8 | -173.9 | -59.9 | 171.3 | 0 | 0 | 0 | 113.2 | D645 T692 K700 L703 M707 | D645-L647 HydrophobicContact CB-CD1 4.07Å; D645-L647 HydrophobicContact CB-CG 4.28Å; D645-L647 PolarHBondContact O-N 3.08Å; L647-T692 HydrophobicContact CD1-CG2 4.4Å; L647-K700 HydrophobicContact CD1-CB 3.82Å; L647-K700 HydrophobicContact CD1-CG 4.04Å; L647-L703 HydrophobicContact CD1-CD2 4.22Å; L647-L703 HydrophobicContact CD2-CD2 4.14Å; L647-L703 HydrophobicContact CD2-CG 4.25Å; L647-M707 HydrophobicContact CD2-SD 3.58Å; L647-M707 VanDerWaalsContact CD2-SD 3.58Å | ||
| 648 | Y | 86.2 | Confident | 87.3 | Confident | 11 Ų | 11 | 30.9 Ų | 30.9 | 4% | 0.043 | 16% | 0.156 | C | C | . | . | trans | -90.9 | 109 | 172.9 | -65.4 | -92.1 | 0 | 0 | 0 | 111.2 | K14 L18 E250 I255 T650 L651 H656 L659 T692 | K14-Y648 HydrophobicContact CD-CE1 4.12Å; K14-Y648 HydrophobicContact CD-CE2 4.39Å; K14-Y648 WeakPolarHBondContact CD-OH 3.2Å; K14-Y648 PolarHBondContact NZ-OH 3.4Å; L18-Y648 HydrophobicContact CD1-CD1 4.21Å; L18-Y648 HydrophobicContact CD1-CE1 4.08Å; E250-Y648 HydrophobicContact CG-CE1 4.35Å; I255-Y648 HydrophobicContact CD1-CD1 3.8Å; I255-Y648 HydrophobicContact CD1-CE1 3.84Å; I255-Y648 HydrophobicContact CD1-CG 4.18Å; I255-Y648 HydrophobicContact CG2-CE1 3.74Å; I255-Y648 HydrophobicContact CG2-CE2 3.72Å; I255-Y648 WeakPolarHBondContact CG2-OH 3.47Å; Y648-T650 PolarHBondContact O-N 3.09Å; Y648-L651 HydrophobicContact CD1-CD1 4.39Å; Y648-L651 HydrophobicContact CD2-CD1 3.51Å; Y648-L651 HydrophobicContact CD2-CG 4.47Å; Y648-L651 HydrophobicContact CE2-CD1 4.11Å; Y648-L651 HydrophobicContact CG-CD1 3.65Å; Y648-L651 HydrophobicContact CG-CG 4.17Å; Y648-L651 PolarHBondContact O-N 3.31Å; Y648-H656 AromaticContact CD2-NE2 3.73Å; Y648-H656 PolarHBondContact N-NE2 3.47Å; Y648-H656 PolarHBondContact O-CE1 3.43Å; Y648-H656 VanDerWaalsContact O-CE1 3.28Å; Y648-L659 HydrophobicContact CE2-CD2 4.27Å; Y648-T692 VanDerWaalsContact C-OG1 3.3Å; Y648-T692 PolarHBondContact O-OG1 2.93Å | ||
| 649 | D | 81.4 | Confident | 87.4 | Confident | 53 Ų | 53 | 31.2 Ų | 31.2 | 28% | 0.283 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -49.8 | -29.3 | -179.9 | -69.7 | -24 | 0 | 0 | 0 | 115.8 | R253 T692 K693 | R253-D649 IonicContact CZ-OD2 3.56Å; R253-D649 IonicContact NH1-OD1 2.9Å; R253-D649 IonicContact NH1-OD2 2.73Å; R253-D649 PolarHBondContact NH1-OD2 3.1Å; R253-D649 IonicContact NH2-OD2 3.96Å; R253-D649 PolarHBondContact NH2-OD2 3.31Å; D649-T692 VanDerWaalsContact CA-OG1 3.27Å; D649-T692 WeakPolarHBondContact CA-OG1 3.32Å; D649-T692 PolarHBondContact O-OG1 3.46Å; D649-K693 HydrophobicContact CB-CB 4.05Å; D649-K693 WeakPolarHBondContact O-CB 3.1Å; D649-K693 PolarHBondContact O-N 2.99Å |
| 650 | T | 84.4 | Confident | 87.4 | Confident | 64 Ų | 64 | 31.2 Ų | 31.2 | 39% | 0.393 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100.8 | -3.6 | -174.6 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | L18 R21 Y648 Y691 | L18-T650 VanDerWaalsContact CD2-OG1 3.24Å; L18-T650 WeakPolarHBondContact CD2-OG1 3.45Å; R21-T650 WeakPolarHBondContact CD-O 3.41Å; R21-T650 PolarHBondContact NH1-O 3.28Å; Y648-T650 PolarHBondContact O-N 3.09Å; T650-Y691 VanDerWaalsContact O-CD1 3.26Å; T650-Y691 WeakPolarHBondContact O-CD1 3.37Å; T650-Y691 VanDerWaalsContact O-CE1 3.26Å; T650-Y691 WeakPolarHBondContact O-CE1 3.3Å |
| 651 | L | 88.3 | Confident | 87.4 | Confident | 4 Ų | 4 | 29.5 Ų | 29.5 | 2% | 0.021 | 15% | 0.151 | C | C | . | . | S | Bend | trans | -91.5 | 148.6 | 172.2 | -68.5 | -180 | 0 | 0 | 0 | 110.3 | K14 L17 L18 Y648 E655 H656 T692 | K14-L651 HydrophobicContact CG-CD1 4.25Å; L17-L651 HydrophobicContact CD2-CD2 3.36Å; L18-L651 HydrophobicContact CD2-CD2 4.04Å; L18-L651 HydrophobicContact CD2-CG 4.15Å; Y648-L651 HydrophobicContact CD1-CD1 4.39Å; Y648-L651 HydrophobicContact CD2-CD1 3.51Å; Y648-L651 HydrophobicContact CD2-CG 4.47Å; Y648-L651 HydrophobicContact CE2-CD1 4.11Å; Y648-L651 HydrophobicContact CG-CD1 3.65Å; Y648-L651 HydrophobicContact CG-CG 4.17Å; Y648-L651 PolarHBondContact O-N 3.31Å; L651-E655 WeakPolarHBondContact CA-OE2 3.29Å; L651-E655 HydrophobicContact CB-CB 4.42Å; L651-E655 HydrophobicContact CD2-CB 4.43Å; L651-E655 WeakPolarHBondContact CD2-OE2 3.49Å; L651-H656 WeakPolarHBondContact CB-CE1 3.44Å; L651-T692 PolarHBondContact O-N 3.44Å; L651-T692 PolarHBondContact O-OG1 3.15Å |
| 652 | T | 91.5 | Very high | 87.2 | Confident | 12 Ų | 12 | 29.8 Ų | 29.8 | 7% | 0.074 | 15% | 0.152 | C | C | . | . | B | Isolated β-bridge | trans | -77.1 | 166.1 | 174 | 65.5 | 0 | 0 | 0 | 0 | 110.6 | E654 E655 H656 K689 E690 Y691 | T652-E654 VanDerWaalsContact C-N 3.34Å; T652-E655 PolarHBondContact N-OE2 3.05Å; T652-E655 PolarHBondContact O-N 3.28Å; T652-E655 VanDerWaalsContact OG1-CD 3.25Å; T652-E655 WeakPolarHBondContact OG1-CG 3.2Å; T652-E655 PolarHBondContact OG1-N 2.78Å; T652-E655 PolarHBondContact OG1-OE2 3.39Å; T652-H656 PolarHBondContact O-N 3.4Å; T652-H656 PolarHBondContact O-ND1 3.24Å; T652-K689 WeakPolarHBondContact CG2-O 3.5Å; T652-E690 VanDerWaalsContact CA-O 3.27Å; T652-E690 WeakPolarHBondContact CA-O 3.24Å; T652-Y691 HydrophobicContact CG2-CD1 4.14Å; T652-Y691 HydrophobicContact CG2-CE1 4.12Å |
| 653 | V | 93 | Very high | 87.1 | Confident | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -57.7 | -49.1 | 176.3 | -178.4 | 0 | 0 | 0 | 0 | 110.7 | E655 H656 L657 L679 L684 K687 K688 E690 L695 L703 | V653-E655 VanDerWaalsContact C-N 3.34Å; V653-E655 PolarHBondContact O-N 2.91Å; V653-H656 PolarHBondContact O-N 3.34Å; V653-L657 PolarHBondContact O-N 2.89Å; V653-L679 HydrophobicContact CG1-CD2 3.63Å; V653-L684 HydrophobicContact CG1-CB 4.28Å; V653-L684 HydrophobicContact CG1-CD1 4.19Å; V653-K687 WeakPolarHBondContact CG2-O 3.48Å; V653-K688 PolarHBondContact N-O 3.41Å; V653-E690 PolarHBondContact N-O 2.92Å; V653-L695 HydrophobicContact CG2-CD1 3.79Å; V653-L695 HydrophobicContact CG2-CD2 4.45Å; V653-L703 HydrophobicContact CG1-CD1 3.71Å; V653-L703 HydrophobicContact CG1-CD2 4.33Å; V653-L703 HydrophobicContact CG2-CD2 4.45Å |
| 654 | E | 93.3 | Very high | 87.1 | Confident | 42 Ų | 42 | 26.5 Ų | 26.5 | 20% | 0.196 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.7 | -40.2 | 179.9 | 179.2 | 176.1 | -170.3 | 0 | 0 | 112.5 | T652 H656 L657 Y658 V675 K688 | T652-E654 VanDerWaalsContact C-N 3.34Å; E654-H656 PolarHBondContact O-N 3.4Å; E654-L657 PolarHBondContact O-N 3.19Å; E654-Y658 HydrophobicContact CG-CD2 3.69Å; E654-Y658 HydrophobicContact CG-CE2 3.32Å; E654-Y658 VanDerWaalsContact O-CD2 3.26Å; E654-Y658 WeakPolarHBondContact O-CD2 3.33Å; E654-Y658 PolarHBondContact O-N 3.09Å; E654-Y658 WeakPolarHBondContact OE1-CE2 3.36Å; E654-Y658 PolarHBondContact OE1-OH 3.02Å; E654-V675 HydrophobicContact CG-CG1 4.26Å; E654-K688 HydrophobicContact CB-CB 4.35Å; E654-K688 WeakPolarHBondContact CB-O 3.36Å; E654-K688 PolarHBondContact N-O 3.37Å; E654-K688 VanDerWaalsContact N-O 3.1Å |
| 655 | E | 91.7 | Very high | 87.2 | Confident | 43 Ų | 43 | 23 Ų | 23 | 20% | 0.201 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.1 | -33.4 | 179.1 | -74.1 | 167.3 | 167.8 | 0 | 0 | 113.7 | R21 L651 T652 V653 L657 L659 | R21-E655 IonicContact CZ-OE1 3.49Å; R21-E655 IonicContact CZ-OE2 2.91Å; R21-E655 IonicContact NH1-OE1 3.55Å; R21-E655 IonicContact NH1-OE2 3.63Å; R21-E655 PolarHBondContact NH1-OE2 2.93Å; R21-E655 VanDerWaalsContact NH2-CD 3.29Å; R21-E655 IonicContact NH2-OE1 3.42Å; R21-E655 PolarHBondContact NH2-OE1 2.91Å; R21-E655 IonicContact NH2-OE2 3.85Å; R21-E655 PolarHBondContact NH2-OE2 2.91Å; L651-E655 WeakPolarHBondContact CA-OE2 3.29Å; L651-E655 HydrophobicContact CB-CB 4.42Å; L651-E655 HydrophobicContact CD2-CB 4.43Å; L651-E655 WeakPolarHBondContact CD2-OE2 3.49Å; T652-E655 PolarHBondContact N-OE2 3.05Å; T652-E655 PolarHBondContact O-N 3.28Å; T652-E655 VanDerWaalsContact OG1-CD 3.25Å; T652-E655 WeakPolarHBondContact OG1-CG 3.2Å; T652-E655 PolarHBondContact OG1-N 2.78Å; T652-E655 PolarHBondContact OG1-OE2 3.39Å; V653-E655 VanDerWaalsContact C-N 3.34Å; V653-E655 PolarHBondContact O-N 2.91Å; E655-L657 VanDerWaalsContact C-N 3.32Å; E655-L659 WeakPolarHBondContact O-CB 3.41Å; E655-L659 PolarHBondContact O-N 3.18Å |
| 656 | H | 92.3 | Very high | 87 | Confident | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.3 | -41.6 | 173.8 | -78.3 | 86.7 | 0 | 0 | 0 | 111.2 | Y648 L651 T652 V653 E654 L659 S660 T692 L703 M707 | Y648-H656 AromaticContact CD2-NE2 3.73Å; Y648-H656 PolarHBondContact N-NE2 3.47Å; Y648-H656 PolarHBondContact O-CE1 3.43Å; Y648-H656 VanDerWaalsContact O-CE1 3.28Å; L651-H656 WeakPolarHBondContact CB-CE1 3.44Å; T652-H656 PolarHBondContact O-N 3.4Å; T652-H656 PolarHBondContact O-ND1 3.24Å; V653-H656 PolarHBondContact O-N 3.34Å; E654-H656 PolarHBondContact O-N 3.4Å; H656-L659 PolarHBondContact O-N 3.31Å; H656-S660 WeakPolarHBondContact O-CB 3.47Å; H656-S660 PolarHBondContact O-N 3.36Å; H656-S660 PolarHBondContact O-OG 2.9Å; H656-T692 VanDerWaalsContact CE1-CG2 3.45Å; H656-T692 WeakPolarHBondContact CE1-CG2 3.15Å; H656-L703 HydrophobicContact CB-CD1 4.29Å; H656-L703 HydrophobicContact CB-CD2 4.35Å; H656-M707 HydrophobicContact CB-SD 3.98Å |
| 657 | L | 92.3 | Very high | 86.9 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -67.9 | -45.8 | 178.7 | -65.1 | 178.3 | 0 | 0 | 0 | 110.8 | V653 E654 E655 L659 S660 A661 V675 T678 L679 I682 L703 M707 I710 | V653-L657 PolarHBondContact O-N 2.89Å; E654-L657 PolarHBondContact O-N 3.19Å; E655-L657 VanDerWaalsContact C-N 3.32Å; L657-L659 VanDerWaalsContact C-N 3.33Å; L657-L659 PolarHBondContact O-N 2.91Å; L657-S660 PolarHBondContact O-N 2.86Å; L657-A661 WeakPolarHBondContact O-CB 3.37Å; L657-A661 PolarHBondContact O-N 3.47Å; L657-V675 HydrophobicContact CB-CG1 3.97Å; L657-V675 HydrophobicContact CB-CG2 4.08Å; L657-V675 HydrophobicContact CD1-CG1 4.22Å; L657-T678 HydrophobicContact CD1-CG2 4.34Å; L657-T678 HydrophobicContact CD2-CG2 4.08Å; L657-L679 HydrophobicContact CD1-CD2 3.59Å; L657-L679 HydrophobicContact CD1-CG 3.62Å; L657-I682 HydrophobicContact CD1-CD1 4.48Å; L657-L703 HydrophobicContact CD2-CD1 4.04Å; L657-L703 HydrophobicContact CG-CD1 4.1Å; L657-M707 HydrophobicContact CD2-CG 4.19Å; L657-I710 HydrophobicContact CB-CD1 3.73Å; L657-I710 HydrophobicContact CD2-CD1 4.08Å; L657-I710 HydrophobicContact CG-CD1 4.44Å; L657-I710 VanDerWaalsContact O-CD1 3.31Å; L657-I710 WeakPolarHBondContact O-CD1 3.24Å |
| 658 | Y | 90.9 | Very high | 86.4 | Confident | 49 Ų | 49 | 30.5 Ų | 30.5 | 19% | 0.192 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -56.3 | -46.4 | 173.2 | -80.8 | -60.8 | 0 | 0 | 0 | 112.4 | E654 S660 A661 H662 I671 E672 V675 | E654-Y658 HydrophobicContact CG-CD2 3.69Å; E654-Y658 HydrophobicContact CG-CE2 3.32Å; E654-Y658 VanDerWaalsContact O-CD2 3.26Å; E654-Y658 WeakPolarHBondContact O-CD2 3.33Å; E654-Y658 PolarHBondContact O-N 3.09Å; E654-Y658 WeakPolarHBondContact OE1-CE2 3.36Å; E654-Y658 PolarHBondContact OE1-OH 3.02Å; Y658-S660 VanDerWaalsContact C-N 3.31Å; Y658-S660 PolarHBondContact O-N 3.23Å; Y658-A661 PolarHBondContact O-N 3.41Å; Y658-H662 PolarHBondContact O-N 3.28Å; Y658-H662 PolarHBondContact O-ND1 3.11Å; Y658-I671 HydrophobicContact CD1-CG2 3.53Å; Y658-I671 HydrophobicContact CE1-CG2 3.79Å; Y658-E672 HydrophobicContact CE1-CG 4.12Å; Y658-V675 HydrophobicContact CD1-CG2 3.85Å; Y658-V675 HydrophobicContact CE1-CB 4.38Å; Y658-V675 HydrophobicContact CE1-CG2 3.92Å; Y658-V675 HydrophobicContact CE2-CG1 4.44Å; Y658-V675 HydrophobicContact CG-CG2 4.27Å |
| 659 | L | 88.4 | Confident | 86.3 | Confident | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.063 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61 | -42.5 | 178.9 | -179.7 | 63.3 | 0 | 0 | 0 | 111.5 | K14 L259 Y648 E655 H656 L657 L663 | K14-L659 HydrophobicContact CB-CD1 4.48Å; K14-L659 HydrophobicContact CD-CD2 4.31Å; K14-L659 HydrophobicContact CG-CD2 4.24Å; L259-L659 HydrophobicContact CD2-CD2 4.32Å; Y648-L659 HydrophobicContact CE2-CD2 4.27Å; E655-L659 WeakPolarHBondContact O-CB 3.41Å; E655-L659 PolarHBondContact O-N 3.18Å; H656-L659 PolarHBondContact O-N 3.31Å; L657-L659 VanDerWaalsContact C-N 3.33Å; L657-L659 PolarHBondContact O-N 2.91Å; L659-L663 HydrophobicContact CD1-CD1 4.07Å; L659-L663 HydrophobicContact CD1-CG 4.43Å; L659-L663 HydrophobicContact CG-CD1 3.97Å; L659-L663 WeakPolarHBondContact O-CD1 3.28Å; L659-L663 VanDerWaalsContact O-CG 3.26Å; L659-L663 WeakPolarHBondContact O-CG 3.49Å; L659-L663 PolarHBondContact O-N 3.03Å |
| 660 | S | 88.3 | Confident | 86.6 | Confident | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.007 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.6 | -41.4 | -178.3 | -54.1 | 0 | 0 | 0 | 0 | 112.2 | H656 L657 Y658 H662 L663 R664 M707 | H656-S660 WeakPolarHBondContact O-CB 3.47Å; H656-S660 PolarHBondContact O-N 3.36Å; H656-S660 PolarHBondContact O-OG 2.9Å; L657-S660 PolarHBondContact O-N 2.86Å; Y658-S660 VanDerWaalsContact C-N 3.31Å; Y658-S660 PolarHBondContact O-N 3.23Å; S660-H662 PolarHBondContact O-N 3.41Å; S660-L663 PolarHBondContact O-N 3.32Å; S660-R664 WeakPolarHBondContact O-CG 3.31Å; S660-R664 PolarHBondContact O-N 3.18Å; S660-R664 VanDerWaalsContact O-N 3.15Å; S660-M707 WeakPolarHBondContact OG-CE 3.39Å |
| 661 | A | 88.4 | Confident | 86.8 | Confident | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.1 | -44 | 177 | 0 | 0 | 0 | 0 | 0 | 112.1 | L657 Y658 R664 G665 C666 I671 I710 | L657-A661 WeakPolarHBondContact O-CB 3.37Å; L657-A661 PolarHBondContact O-N 3.47Å; Y658-A661 PolarHBondContact O-N 3.41Å; A661-R664 PolarHBondContact O-N 2.67Å; A661-G665 PolarHBondContact O-N 2.93Å; A661-C666 WeakPolarHBondContact O-CB 3.42Å; A661-C666 PolarHBondContact O-N 3.27Å; A661-C666 PolarHBondContact O-SG 2.94Å; A661-C666 VanDerWaalsContact O-SG 3.36Å; A661-I671 HydrophobicContact CB-CG1 4.25Å; A661-I671 HydrophobicContact CB-CG2 3.9Å; A661-I710 HydrophobicContact CB-CD1 3.8Å; A661-I710 HydrophobicContact CB-CG1 3.92Å |
| 662 | H | 85.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 4% | 0.042 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -68.6 | -40 | 179.3 | -73.2 | 92.3 | 0 | 0 | 0 | 112.5 | N7 W10 Y658 S660 R664 G665 N668 I671 | N7-H662 PolarHBondContact OD1-O 3.47Å; W10-H662 HydrophobicContact CB-CB 4.38Å; W10-H662 AromaticContact CD1-CD2 3.47Å; W10-H662 VanDerWaalsContact CD1-CD2 3.47Å; W10-H662 AromaticContact CD1-CG 3.7Å; W10-H662 HydrophobicContact CD2-CB 4.4Å; W10-H662 AromaticContact CD2-CD2 3.92Å; W10-H662 AromaticContact CD2-CG 3.83Å; W10-H662 AromaticContact CD2-ND1 3.9Å; W10-H662 AromaticContact CD2-NE2 3.99Å; W10-H662 AromaticContact CE2-CD2 3.3Å; W10-H662 AromaticContact CE2-CE1 3.51Å; W10-H662 AromaticContact CE2-CG 3.7Å; W10-H662 AromaticContact CE2-ND1 3.83Å; W10-H662 AromaticContact CE2-NE2 3.13Å; W10-H662 HydrophobicContact CG-CB 3.97Å; W10-H662 AromaticContact CG-CG 3.86Å; W10-H662 AromaticContact CH2-CE1 3.53Å; W10-H662 AromaticContact CH2-NE2 3.78Å; W10-H662 AromaticContact CZ2-CD2 3.76Å; W10-H662 AromaticContact CZ2-CE1 3.29Å; W10-H662 WeakPolarHBondContact CZ2-CE1 3.23Å; W10-H662 AromaticContact CZ2-NE2 3.04Å; W10-H662 WeakPolarHBondContact CZ2-NE2 3.28Å; W10-H662 AromaticContact NE1-CD2 2.98Å; W10-H662 PolarHBondContact NE1-CD2 2.98Å; W10-H662 AromaticContact NE1-CG 3.6Å; W10-H662 AromaticContact NE1-NE2 3.28Å; W10-H662 PolarHBondContact NE1-NE2 3.4Å; Y658-H662 PolarHBondContact O-N 3.28Å; Y658-H662 PolarHBondContact O-ND1 3.11Å; S660-H662 PolarHBondContact O-N 3.41Å; H662-R664 VanDerWaalsContact C-N 3.26Å; H662-R664 PolarHBondContact O-N 3.03Å; H662-G665 PolarHBondContact O-N 2.85Å; H662-N668 PolarHBondContact CD2-OD1 2.76Å; H662-N668 PolarHBondContact NE2-OD1 3.38Å; H662-I671 WeakPolarHBondContact CD2-CD1 3.45Å; H662-I671 VanDerWaalsContact CE1-CD1 3.43Å; H662-I671 WeakPolarHBondContact CE1-CD1 3.4Å; H662-I671 WeakPolarHBondContact NE2-CD1 3.43Å |
| 663 | L | 81.7 | Confident | 86.8 | Confident | 6 Ų | 6 | 45.1 Ų | 45.1 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -32.9 | 179.9 | -71.7 | 169 | 0 | 0 | 0 | 112.4 | N7 V11 L259 L262 L264 L659 S660 G665 | N7-L663 HydrophobicContact CB-CD2 4.13Å; V11-L663 HydrophobicContact CG2-CD2 3.97Å; L259-L663 HydrophobicContact CD2-CD1 3.58Å; L262-L663 HydrophobicContact CB-CB 4.05Å; L262-L663 HydrophobicContact CB-CD1 4.18Å; L262-L663 HydrophobicContact CD1-CD1 4.18Å; L262-L663 CarbonylContact O-C 3.57Å; L262-L663 WeakPolarHBondContact O-CB 3.36Å; L262-L663 VanDerWaalsContact O-O 3.1Å; L264-L663 HydrophobicContact CB-CD2 4.43Å; L264-L663 HydrophobicContact CD1-CD2 4.07Å; L659-L663 HydrophobicContact CD1-CD1 4.07Å; L659-L663 HydrophobicContact CD1-CG 4.43Å; L659-L663 HydrophobicContact CG-CD1 3.97Å; L659-L663 WeakPolarHBondContact O-CD1 3.28Å; L659-L663 VanDerWaalsContact O-CG 3.26Å; L659-L663 WeakPolarHBondContact O-CG 3.49Å; L659-L663 PolarHBondContact O-N 3.03Å; S660-L663 PolarHBondContact O-N 3.32Å; L663-G665 PolarHBondContact O-N 2.6Å |
| 664 | R | 80.4 | Confident | 86.6 | Confident | 29 Ų | 29 | 46.8 Ų | 46.8 | 11% | 0.109 | 26% | 0.257 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -4.4 | 173.7 | -70.5 | -178.6 | 175.4 | -74.8 | -5.9 | 114.4 | L262 L638 S660 A661 H662 I710 | L262-R664 HydrophobicContact CD2-CG 4.41Å; L638-R664 PolarHBondContact O-NH1 3.25Å; L638-R664 PolarHBondContact O-NH2 3.44Å; L638-R664 VanDerWaalsContact O-NH2 3.08Å; S660-R664 WeakPolarHBondContact O-CG 3.31Å; S660-R664 PolarHBondContact O-N 3.18Å; S660-R664 VanDerWaalsContact O-N 3.15Å; A661-R664 PolarHBondContact O-N 2.67Å; H662-R664 VanDerWaalsContact C-N 3.26Å; H662-R664 PolarHBondContact O-N 3.03Å; R664-I710 WeakPolarHBondContact CD-O 3.09Å; R664-I710 PolarHBondContact NE-O 3.06Å |
| 665 | G | 77.2 | Confident | 86.6 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 60% | 0.598 | 25% | 0.248 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 21.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 115.8 | A661 H662 L663 | A661-G665 PolarHBondContact O-N 2.93Å; H662-G665 PolarHBondContact O-N 2.85Å; L663-G665 PolarHBondContact O-N 2.6Å |
| 666 | C | 79.1 | Confident | 86.6 | Confident | 22 Ų | 22 | 45 Ų | 45 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | trans | -61.8 | 146.8 | 174.5 | -61 | 0 | 0 | 0 | 0 | 112.4 | A661 N668 I671 Q674 G711 | A661-C666 WeakPolarHBondContact O-CB 3.42Å; A661-C666 PolarHBondContact O-N 3.27Å; A661-C666 PolarHBondContact O-SG 2.94Å; A661-C666 VanDerWaalsContact O-SG 3.36Å; C666-N668 PolarHBondContact O-N 3.21Å; C666-I671 HydrophobicContact CB-CD1 4.11Å; C666-I671 HydrophobicContact CB-CG1 3.63Å; C666-Q674 PolarHBondContact SG-OE1 2.78Å; C666-G711 WeakPolarHBondContact SG-CA 3.3Å | ||
| 667 | D | 81.8 | Confident | 86.6 | Confident | 115 Ų | 115 | 52 Ų | 52 | 62% | 0.615 | 28% | 0.275 | S | S | * | . | trans | -66.8 | 129.7 | 176.2 | -75 | -31 | 0 | 0 | 0 | 111.8 | S669 T670 I671 | D667-S669 PolarHBondContact O-N 3.41Å; D667-T670 PolarHBondContact O-N 3.03Å; D667-T670 PolarHBondContact O-OG1 2.9Å; D667-I671 WeakPolarHBondContact O-CG1 3.43Å; D667-I671 PolarHBondContact O-N 3.43Å | ||
| 668 | N | 78.9 | Confident | 86.6 | Confident | 110 Ų | 110 | 52.4 Ų | 52.4 | 59% | 0.588 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.1 | -27.4 | -176.3 | -76.1 | -16.4 | 0 | 0 | 0 | 114.5 | H662 C666 | H662-N668 PolarHBondContact CD2-OD1 2.76Å; H662-N668 PolarHBondContact NE2-OD1 3.38Å; C666-N668 PolarHBondContact O-N 3.21Å |
| 669 | S | 84.2 | Confident | 86.7 | Confident | 106 Ų | 106 | 50.1 Ų | 50.1 | 74% | 0.741 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.4 | -27.6 | 178.3 | 52.4 | 0 | 0 | 0 | 0 | 113.6 | D667 | D667-S669 PolarHBondContact O-N 3.41Š|
| 670 | T | 86.7 | Confident | 86.9 | Confident | 53 Ų | 53 | 57.1 Ų | 57.1 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.5 | -14.5 | -175.2 | 58.5 | 0 | 0 | 0 | 0 | 113 | D667 E672 Q673 Q674 | D667-T670 PolarHBondContact O-N 3.03Å; D667-T670 PolarHBondContact O-OG1 2.9Å; T670-E672 PolarHBondContact O-N 3.42Å; T670-Q673 PolarHBondContact O-N 3.03Å; T670-Q674 PolarHBondContact O-N 3.3Å |
| 671 | I | 87.8 | Confident | 86.9 | Confident | 3 Ų | 3 | 59.3 Ų | 59.3 | 2% | 0.015 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.6 | -46.1 | -174.7 | -71 | 172.6 | 0 | 0 | 0 | 112.9 | Y658 A661 H662 C666 D667 Q673 Q674 V675 | Y658-I671 HydrophobicContact CD1-CG2 3.53Å; Y658-I671 HydrophobicContact CE1-CG2 3.79Å; A661-I671 HydrophobicContact CB-CG1 4.25Å; A661-I671 HydrophobicContact CB-CG2 3.9Å; H662-I671 WeakPolarHBondContact CD2-CD1 3.45Å; H662-I671 VanDerWaalsContact CE1-CD1 3.43Å; H662-I671 WeakPolarHBondContact CE1-CD1 3.4Å; H662-I671 WeakPolarHBondContact NE2-CD1 3.43Å; C666-I671 HydrophobicContact CB-CD1 4.11Å; C666-I671 HydrophobicContact CB-CG1 3.63Å; D667-I671 WeakPolarHBondContact O-CG1 3.43Å; D667-I671 PolarHBondContact O-N 3.43Å; I671-Q673 VanDerWaalsContact C-N 3.28Å; I671-Q673 PolarHBondContact O-N 3.37Å; I671-Q674 PolarHBondContact O-N 2.85Å; I671-V675 HydrophobicContact CG2-CG2 4.05Å; I671-V675 WeakPolarHBondContact O-CB 3.44Å; I671-V675 VanDerWaalsContact O-CG2 3.27Å; I671-V675 WeakPolarHBondContact O-CG2 2.99Å; I671-V675 PolarHBondContact O-N 2.89Å |
| 672 | E | 89.5 | Confident | 87 | Confident | 139 Ų | 139 | 59.3 Ų | 59.3 | 65% | 0.65 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -60.3 | -41.7 | -179.7 | -66.6 | -166.1 | 163.4 | 0 | 0 | 111.3 | Y658 T670 V675 E676 | Y658-E672 HydrophobicContact CE1-CG 4.12Å; T670-E672 PolarHBondContact O-N 3.42Å; E672-V675 PolarHBondContact O-N 3.02Å; E672-E676 WeakPolarHBondContact O-CB 3.39Å; E672-E676 PolarHBondContact O-N 3.38Å |
| 673 | Q | 90.6 | Very high | 87.2 | Confident | 150 Ų | 150 | 65 Ų | 65 | 70% | 0.701 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.4 | -40.9 | 177.5 | -168.8 | 178.8 | 2.1 | 0 | 0 | 111.6 | T670 I671 R677 | T670-Q673 PolarHBondContact O-N 3.03Å; I671-Q673 VanDerWaalsContact C-N 3.28Å; I671-Q673 PolarHBondContact O-N 3.37Å; Q673-R677 VanDerWaalsContact O-CB 3.28Å; Q673-R677 WeakPolarHBondContact O-CB 3.38Å; Q673-R677 PolarHBondContact O-N 3.07Å |
| 674 | Q | 89.9 | Confident | 87.6 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 16% | 0.159 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.1 | -86.1 | -171.5 | -24.8 | 0 | 0 | 112.3 | C666 T670 I671 R677 T678 D712 | C666-Q674 PolarHBondContact SG-OE1 2.78Å; T670-Q674 PolarHBondContact O-N 3.3Å; I671-Q674 PolarHBondContact O-N 2.85Å; Q674-R677 PolarHBondContact O-N 3.34Å; Q674-T678 WeakPolarHBondContact O-CB 3.42Å; Q674-T678 PolarHBondContact O-N 2.81Å; Q674-T678 PolarHBondContact O-OG1 3.29Å; Q674-D712 PolarHBondContact NE2-OD2 3Å |
| 675 | V | 92.1 | Very high | 88.1 | Confident | 2 Ų | 2 | 66.8 Ų | 66.8 | 1% | 0.012 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.4 | -47.3 | 177.6 | 169.5 | 0 | 0 | 0 | 0 | 110.4 | E654 L657 Y658 I671 E672 R677 T678 L679 I710 | E654-V675 HydrophobicContact CG-CG1 4.26Å; L657-V675 HydrophobicContact CB-CG1 3.97Å; L657-V675 HydrophobicContact CB-CG2 4.08Å; L657-V675 HydrophobicContact CD1-CG1 4.22Å; Y658-V675 HydrophobicContact CD1-CG2 3.85Å; Y658-V675 HydrophobicContact CE1-CB 4.38Å; Y658-V675 HydrophobicContact CE1-CG2 3.92Å; Y658-V675 HydrophobicContact CE2-CG1 4.44Å; Y658-V675 HydrophobicContact CG-CG2 4.27Å; I671-V675 HydrophobicContact CG2-CG2 4.05Å; I671-V675 WeakPolarHBondContact O-CB 3.44Å; I671-V675 VanDerWaalsContact O-CG2 3.27Å; I671-V675 WeakPolarHBondContact O-CG2 2.99Å; I671-V675 PolarHBondContact O-N 2.89Å; E672-V675 PolarHBondContact O-N 3.02Å; V675-R677 PolarHBondContact O-N 3.1Å; V675-T678 PolarHBondContact O-N 2.88Å; V675-L679 HydrophobicContact CG1-CD1 4.06Å; V675-L679 HydrophobicContact CG1-CG 4.48Å; V675-L679 WeakPolarHBondContact O-CB 3.43Å; V675-L679 WeakPolarHBondContact O-CG 3.44Å; V675-L679 PolarHBondContact O-N 3.01Å; V675-I710 HydrophobicContact CG2-CD1 3.97Å |
| 676 | E | 93.1 | Very high | 88.6 | Confident | 46 Ų | 46 | 71.2 Ų | 71.2 | 22% | 0.215 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63.2 | -41.9 | 177.7 | -178.9 | 59.5 | -154.5 | 0 | 0 | 111.8 | E672 T678 L679 R680 H685 | E672-E676 WeakPolarHBondContact O-CB 3.39Å; E672-E676 PolarHBondContact O-N 3.38Å; E676-T678 VanDerWaalsContact C-N 3.35Å; E676-T678 PolarHBondContact O-N 2.78Å; E676-L679 PolarHBondContact O-N 3.2Å; E676-R680 PolarHBondContact O-N 3.46Å; E676-R680 IonicContact OE1-CZ 2.8Å; E676-R680 IonicContact OE1-NE 3.66Å; E676-R680 PolarHBondContact OE1-NE 2.99Å; E676-R680 IonicContact OE1-NH2 3.76Å; E676-R680 PolarHBondContact OE1-NH2 3.22Å; E676-H685 IonicContact OE1-CD2 3.59Å; E676-H685 PolarHBondContact OE1-CD2 3.39Å; E676-H685 IonicContact OE1-NE2 2.97Å; E676-H685 PolarHBondContact OE1-NE2 3.48Å; E676-H685 VanDerWaalsContact OE1-NE2 3.13Å; E676-H685 IonicContact OE2-CD2 2.66Å; E676-H685 IonicContact OE2-NE2 3.95Å |
| 677 | R | 91.5 | Very high | 89 | Confident | 147 Ų | 147 | 73.9 Ų | 73.9 | 56% | 0.555 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -61 | -44.2 | 173.8 | -170.8 | 177.1 | -176.8 | 179.5 | -2.7 | 111.2 | Q673 Q674 V675 R680 K681 | Q673-R677 VanDerWaalsContact O-CB 3.28Å; Q673-R677 WeakPolarHBondContact O-CB 3.38Å; Q673-R677 PolarHBondContact O-N 3.07Å; Q674-R677 PolarHBondContact O-N 3.34Å; V675-R677 PolarHBondContact O-N 3.1Å; R677-R680 PolarHBondContact O-N 2.96Å; R677-K681 WeakPolarHBondContact O-CG 3.37Å; R677-K681 PolarHBondContact O-N 2.93Å |
| 678 | T | 91.9 | Very high | 89.4 | Confident | 10 Ų | 10 | 71.2 Ų | 71.2 | 6% | 0.061 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -66.2 | -41.2 | 179.5 | -54.4 | 0 | 0 | 0 | 0 | 111.6 | L657 Q674 V675 E676 R680 K681 I682 | L657-T678 HydrophobicContact CD1-CG2 4.34Å; L657-T678 HydrophobicContact CD2-CG2 4.08Å; Q674-T678 WeakPolarHBondContact O-CB 3.42Å; Q674-T678 PolarHBondContact O-N 2.81Å; Q674-T678 PolarHBondContact O-OG1 3.29Å; V675-T678 PolarHBondContact O-N 2.88Å; E676-T678 VanDerWaalsContact C-N 3.35Å; E676-T678 PolarHBondContact O-N 2.78Å; T678-R680 VanDerWaalsContact C-N 3.29Å; T678-R680 PolarHBondContact O-N 3.07Å; T678-K681 WeakPolarHBondContact O-CB 3.35Å; T678-K681 PolarHBondContact O-N 3.28Å; T678-I682 WeakPolarHBondContact O-CG1 3.26Å; T678-I682 PolarHBondContact O-N 3.02Å |
| 679 | L | 93.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 73.9 Ų | 73.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -60.2 | -37.5 | 176.9 | -78.8 | 170 | 0 | 0 | 0 | 112.9 | V653 L657 V675 E676 Y683 L684 H685 K688 | V653-L679 HydrophobicContact CG1-CD2 3.63Å; L657-L679 HydrophobicContact CD1-CD2 3.59Å; L657-L679 HydrophobicContact CD1-CG 3.62Å; V675-L679 HydrophobicContact CG1-CD1 4.06Å; V675-L679 HydrophobicContact CG1-CG 4.48Å; V675-L679 WeakPolarHBondContact O-CB 3.43Å; V675-L679 WeakPolarHBondContact O-CG 3.44Å; V675-L679 PolarHBondContact O-N 3.01Å; E676-L679 PolarHBondContact O-N 3.2Å; L679-Y683 PolarHBondContact O-N 3.5Å; L679-L684 HydrophobicContact CD2-CB 4.46Å; L679-L684 PolarHBondContact O-N 3.18Å; L679-L684 VanDerWaalsContact O-N 3.09Å; L679-H685 PolarHBondContact O-N 3Å; L679-K688 HydrophobicContact CD1-CB 3.85Å; L679-K688 HydrophobicContact CD1-CD 4.42Å; L679-K688 HydrophobicContact CD2-CB 4.31Å |
| 680 | R | 92.5 | Very high | 90.1 | Very high | 159 Ų | 159 | 71.8 Ų | 71.8 | 60% | 0.6 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -70.4 | -44.9 | 174 | -68 | -179.4 | -164.8 | 179.3 | 4 | 111.6 | E676 R677 T678 I682 Y683 | E676-R680 PolarHBondContact O-N 3.46Å; E676-R680 IonicContact OE1-CZ 2.8Å; E676-R680 IonicContact OE1-NE 3.66Å; E676-R680 PolarHBondContact OE1-NE 2.99Å; E676-R680 IonicContact OE1-NH2 3.76Å; E676-R680 PolarHBondContact OE1-NH2 3.22Å; R677-R680 PolarHBondContact O-N 2.96Å; T678-R680 VanDerWaalsContact C-N 3.29Å; T678-R680 PolarHBondContact O-N 3.07Å; R680-I682 VanDerWaalsContact C-N 3.28Å; R680-I682 PolarHBondContact O-N 2.67Å; R680-Y683 PolarHBondContact O-N 3.25Å |
| 681 | K | 89.2 | Confident | 90.2 | Very high | 48 Ų | 48 | 73.7 Ų | 73.7 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -54.5 | -42.5 | 176.3 | -74.2 | 179.6 | 173.7 | -163.2 | 0 | 111.9 | R677 T678 I736 E740 | R677-K681 WeakPolarHBondContact O-CG 3.37Å; R677-K681 PolarHBondContact O-N 2.93Å; T678-K681 WeakPolarHBondContact O-CB 3.35Å; T678-K681 PolarHBondContact O-N 3.28Å; K681-I736 WeakPolarHBondContact O-CG1 3.48Å; K681-E740 VanDerWaalsContact CD-OE1 3.24Å; K681-E740 WeakPolarHBondContact CD-OE1 3.31Å; K681-E740 WeakPolarHBondContact CE-OE1 3.49Å; K681-E740 IonicContact NZ-OE1 2.66Å; K681-E740 PolarHBondContact NZ-OE1 2.92Å; K681-E740 IonicContact NZ-OE2 2.75Å; K681-E740 PolarHBondContact NZ-OE2 2.98Å |
| 682 | I | 90.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 73.5 Ų | 73.5 | 0% | 0 | 32% | 0.323 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -91.2 | 8.3 | -175.7 | 70.9 | -174.6 | 0 | 0 | 0 | 115.3 | L657 T678 R680 L684 R702 I736 | L657-I682 HydrophobicContact CD1-CD1 4.48Å; T678-I682 WeakPolarHBondContact O-CG1 3.26Å; T678-I682 PolarHBondContact O-N 3.02Å; R680-I682 VanDerWaalsContact C-N 3.28Å; R680-I682 PolarHBondContact O-N 2.67Å; I682-L684 HydrophobicContact CD1-CB 4.31Å; I682-L684 HydrophobicContact CD1-CD1 3.89Å; I682-L684 HydrophobicContact CD1-CG 4.43Å; I682-L684 HydrophobicContact CG1-CB 3.99Å; I682-L684 HydrophobicContact CG1-CD1 4.08Å; I682-L684 HydrophobicContact CG1-CG 4.12Å; I682-L684 PolarHBondContact O-N 2.89Å; I682-R702 HydrophobicContact CB-CB 4.36Å; I682-R702 VanDerWaalsContact O-CD 3.3Å; I682-R702 WeakPolarHBondContact O-CD 2.87Å; I682-R702 PolarHBondContact O-NE 3.29Å; I682-R702 VanDerWaalsContact O-NE 3.08Å; I682-I736 HydrophobicContact CB-CD1 4.42Å |
| 683 | Y | 89.6 | Confident | 89.9 | Confident | 129 Ų | 129 | 73.2 Ų | 73.2 | 51% | 0.506 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.5 | 43.9 | -178.1 | -47.1 | -70.4 | 0 | 0 | 0 | 114 | L679 R680 I736 | L679-Y683 PolarHBondContact O-N 3.5Å; R680-Y683 PolarHBondContact O-N 3.25Å; Y683-I736 HydrophobicContact CD2-CD1 4.24Å; Y683-I736 HydrophobicContact CD2-CG1 4.36Å; Y683-I736 HydrophobicContact CE2-CD1 4.3Å; Y683-I736 HydrophobicContact CE2-CG1 3.95Å |
| 684 | L | 90.5 | Very high | 89.5 | Confident | 3 Ų | 3 | 69.6 Ų | 69.6 | 2% | 0.016 | 31% | 0.307 | C | S | . | . | trans | -127.4 | 14.8 | 178.4 | -68.6 | 176.3 | 0 | 0 | 0 | 114.1 | V653 L679 I682 D686 K687 K688 M699 R702 L703 | V653-L684 HydrophobicContact CG1-CB 4.28Å; V653-L684 HydrophobicContact CG1-CD1 4.19Å; L679-L684 HydrophobicContact CD2-CB 4.46Å; L679-L684 PolarHBondContact O-N 3.18Å; L679-L684 VanDerWaalsContact O-N 3.09Å; I682-L684 HydrophobicContact CD1-CB 4.31Å; I682-L684 HydrophobicContact CD1-CD1 3.89Å; I682-L684 HydrophobicContact CD1-CG 4.43Å; I682-L684 HydrophobicContact CG1-CB 3.99Å; I682-L684 HydrophobicContact CG1-CD1 4.08Å; I682-L684 HydrophobicContact CG1-CG 4.12Å; I682-L684 PolarHBondContact O-N 2.89Å; L684-D686 VanDerWaalsContact C-N 3.32Å; L684-D686 PolarHBondContact O-N 3.36Å; L684-K687 HydrophobicContact CD2-CB 4.47Å; L684-K687 CarbonylContact O-C 3.58Å; L684-K687 PolarHBondContact O-N 2.82Å; L684-K688 PolarHBondContact O-N 2.95Å; L684-M699 HydrophobicContact CD2-CB 4.04Å; L684-M699 HydrophobicContact CD2-CG 3.95Å; L684-R702 HydrophobicContact CD1-CB 4.34Å; L684-L703 HydrophobicContact CD1-CB 4.09Å | ||
| 685 | H | 89.6 | Confident | 89.2 | Confident | 68 Ų | 68 | 68.5 Ų | 68.5 | 32% | 0.315 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -54.4 | -45 | -179.9 | 179.3 | -87.6 | 0 | 0 | 0 | 112.7 | E676 L679 K687 K688 | E676-H685 IonicContact OE1-CD2 3.59Å; E676-H685 PolarHBondContact OE1-CD2 3.39Å; E676-H685 IonicContact OE1-NE2 2.97Å; E676-H685 PolarHBondContact OE1-NE2 3.48Å; E676-H685 VanDerWaalsContact OE1-NE2 3.13Å; E676-H685 IonicContact OE2-CD2 2.66Å; E676-H685 IonicContact OE2-NE2 3.95Å; L679-H685 PolarHBondContact O-N 3Å; H685-K687 PolarHBondContact O-N 3.34Å; H685-K687 VanDerWaalsContact O-N 3.16Å; H685-K688 WeakPolarHBondContact O-CB 3.49Å; H685-K688 PolarHBondContact O-N 3.26Å |
| 686 | D | 88.9 | Confident | 88.6 | Confident | 151 Ų | 151 | 71.3 Ų | 71.3 | 81% | 0.807 | 32% | 0.322 | S | S | * | . | G | 310 helix | trans | -68.8 | -17.8 | -178.9 | -52.4 | -26.5 | 0 | 0 | 0 | 113.2 | L684 | L684-D686 VanDerWaalsContact C-N 3.32Å; L684-D686 PolarHBondContact O-N 3.36Å |
| 687 | K | 87.6 | Confident | 87.9 | Confident | 78 Ų | 78 | 71.3 Ų | 71.3 | 34% | 0.339 | 34% | 0.335 | S | S | . | . | G | 310 helix | trans | -105.5 | 11 | -178.5 | -55.6 | -47.4 | -149.8 | 157.3 | 0 | 113.1 | V653 L684 H685 K689 E690 L695 | V653-K687 WeakPolarHBondContact CG2-O 3.48Å; L684-K687 HydrophobicContact CD2-CB 4.47Å; L684-K687 CarbonylContact O-C 3.58Å; L684-K687 PolarHBondContact O-N 2.82Å; H685-K687 PolarHBondContact O-N 3.34Å; H685-K687 VanDerWaalsContact O-N 3.16Å; K687-K689 VanDerWaalsContact C-N 3.25Å; K687-K689 PolarHBondContact O-N 3.08Å; K687-K689 VanDerWaalsContact O-N 3.11Å; K687-E690 HydrophobicContact CB-CB 4.37Å; K687-E690 WeakPolarHBondContact CD-OE2 3.32Å; K687-E690 VanDerWaalsContact CE-OE2 3.24Å; K687-E690 WeakPolarHBondContact CE-OE2 3.34Å; K687-E690 IonicContact NZ-OE2 3.59Å; K687-E690 PolarHBondContact NZ-OE2 3.35Å; K687-E690 WeakPolarHBondContact O-CB 3.34Å; K687-E690 PolarHBondContact O-N 3.27Å; K687-L695 HydrophobicContact CB-CD2 4.34Å |
| 688 | K | 89.2 | Confident | 87.5 | Confident | 60 Ų | 60 | 64.6 Ų | 64.6 | 26% | 0.261 | 31% | 0.312 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.7 | -36.9 | -172.8 | 76 | -177.2 | -173.3 | 176.7 | 0 | 114.5 | V653 E654 L679 L684 H685 | V653-K688 PolarHBondContact N-O 3.41Å; E654-K688 HydrophobicContact CB-CB 4.35Å; E654-K688 WeakPolarHBondContact CB-O 3.36Å; E654-K688 PolarHBondContact N-O 3.37Å; E654-K688 VanDerWaalsContact N-O 3.1Å; L679-K688 HydrophobicContact CD1-CB 3.85Å; L679-K688 HydrophobicContact CD1-CD 4.42Å; L679-K688 HydrophobicContact CD2-CB 4.31Å; L684-K688 PolarHBondContact O-N 2.95Å; H685-K688 WeakPolarHBondContact O-CB 3.49Å; H685-K688 PolarHBondContact O-N 3.26Å |
| 689 | K | 90.6 | Very high | 87.3 | Confident | 165 Ų | 165 | 66.8 Ų | 66.8 | 72% | 0.717 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -0.5 | 178.9 | -59.7 | -169.3 | 179.4 | -179.6 | 0 | 114.2 | T652 K687 | T652-K689 WeakPolarHBondContact CG2-O 3.5Å; K687-K689 VanDerWaalsContact C-N 3.25Å; K687-K689 PolarHBondContact O-N 3.08Å; K687-K689 VanDerWaalsContact O-N 3.11Å |
| 690 | E | 87.7 | Confident | 87.2 | Confident | 63 Ų | 63 | 69.3 Ų | 69.3 | 29% | 0.294 | 33% | 0.333 | S | S | . | . | S | Bend | trans | -81.6 | 147 | -178.8 | -139.7 | -178.6 | 147.8 | 0 | 0 | 111.2 | T652 V653 K687 T694 | T652-E690 VanDerWaalsContact CA-O 3.27Å; T652-E690 WeakPolarHBondContact CA-O 3.24Å; V653-E690 PolarHBondContact N-O 2.92Å; K687-E690 HydrophobicContact CB-CB 4.37Å; K687-E690 WeakPolarHBondContact CD-OE2 3.32Å; K687-E690 VanDerWaalsContact CE-OE2 3.24Å; K687-E690 WeakPolarHBondContact CE-OE2 3.34Å; K687-E690 IonicContact NZ-OE2 3.59Å; K687-E690 PolarHBondContact NZ-OE2 3.35Å; K687-E690 WeakPolarHBondContact O-CB 3.34Å; K687-E690 PolarHBondContact O-N 3.27Å; E690-T694 VanDerWaalsContact CD-OG1 3.24Å; E690-T694 WeakPolarHBondContact CG-OG1 3.45Å; E690-T694 VanDerWaalsContact OE1-CB 3.3Å; E690-T694 WeakPolarHBondContact OE1-CB 3.48Å; E690-T694 PolarHBondContact OE1-OG1 3.1Å |
| 691 | Y | 89.3 | Confident | 87.1 | Confident | 92 Ų | 92 | 62 Ų | 62 | 36% | 0.361 | 31% | 0.305 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 138.9 | 177 | -67.1 | -63.9 | 0 | 0 | 0 | 110.8 | T650 T652 K693 T694 | T650-Y691 VanDerWaalsContact O-CD1 3.26Å; T650-Y691 WeakPolarHBondContact O-CD1 3.37Å; T650-Y691 VanDerWaalsContact O-CE1 3.26Å; T650-Y691 WeakPolarHBondContact O-CE1 3.3Å; T652-Y691 HydrophobicContact CG2-CD1 4.14Å; T652-Y691 HydrophobicContact CG2-CE1 4.12Å; Y691-K693 PolarHBondContact O-N 3.16Å; Y691-T694 PolarHBondContact O-N 2.7Å; Y691-T694 PolarHBondContact O-OG1 3.27Å |
| 692 | T | 87.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 60.4 Ų | 60.4 | 0% | 0 | 30% | 0.298 | C | S | . | . | G | 310 helix | trans | -56.4 | -27.4 | 179.2 | 44.8 | 0 | 0 | 0 | 0 | 114.4 | L647 Y648 D649 L651 H656 T694 L695 K700 L703 | L647-T692 HydrophobicContact CD1-CG2 4.4Å; Y648-T692 VanDerWaalsContact C-OG1 3.3Å; Y648-T692 PolarHBondContact O-OG1 2.93Å; D649-T692 VanDerWaalsContact CA-OG1 3.27Å; D649-T692 WeakPolarHBondContact CA-OG1 3.32Å; D649-T692 PolarHBondContact O-OG1 3.46Å; L651-T692 PolarHBondContact O-N 3.44Å; L651-T692 PolarHBondContact O-OG1 3.15Å; H656-T692 VanDerWaalsContact CE1-CG2 3.45Å; H656-T692 WeakPolarHBondContact CE1-CG2 3.15Å; T692-T694 PolarHBondContact O-N 3.35Å; T692-L695 HydrophobicContact CG2-CD1 4Å; T692-L695 WeakPolarHBondContact O-CB 3.28Å; T692-L695 PolarHBondContact O-N 3.19Å; T692-K700 WeakPolarHBondContact O-CE 3.32Å; T692-L703 HydrophobicContact CG2-CD2 3.45Å; T692-L703 VanDerWaalsContact CG2-CD2 3.45Å |
| 693 | K | 83 | Confident | 87.4 | Confident | 132 Ų | 132 | 60.4 Ų | 60.4 | 57% | 0.574 | 30% | 0.298 | S | S | * | . | G | 310 helix | trans | -59.9 | -25.1 | 175.9 | 73.4 | -177.8 | 179.6 | -177.9 | 0 | 114.3 | D649 Y691 | D649-K693 HydrophobicContact CB-CB 4.05Å; D649-K693 WeakPolarHBondContact O-CB 3.1Å; D649-K693 PolarHBondContact O-N 2.99Å; Y691-K693 PolarHBondContact O-N 3.16Å |
| 694 | T | 81.6 | Confident | 87.5 | Confident | 74 Ų | 74 | 54.9 Ų | 54.9 | 45% | 0.454 | 28% | 0.278 | S | S | . | . | G | 310 helix | trans | -91.2 | -14.1 | -179.4 | 61.4 | 0 | 0 | 0 | 0 | 112.8 | E690 Y691 T692 | E690-T694 VanDerWaalsContact CD-OG1 3.24Å; E690-T694 WeakPolarHBondContact CG-OG1 3.45Å; E690-T694 VanDerWaalsContact OE1-CB 3.3Å; E690-T694 WeakPolarHBondContact OE1-CB 3.48Å; E690-T694 PolarHBondContact OE1-OG1 3.1Å; Y691-T694 PolarHBondContact O-N 2.7Å; Y691-T694 PolarHBondContact O-OG1 3.27Å; T692-T694 PolarHBondContact O-N 3.35Å |
| 695 | L | 83.1 | Confident | 87.6 | Confident | 12 Ų | 12 | 54.8 Ų | 54.8 | 6% | 0.063 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -68.6 | 146.4 | 178.2 | -60.7 | 178.7 | 0 | 0 | 0 | 112 | V653 K687 T692 M699 K700 L703 | V653-L695 HydrophobicContact CG2-CD1 3.79Å; V653-L695 HydrophobicContact CG2-CD2 4.45Å; K687-L695 HydrophobicContact CB-CD2 4.34Å; T692-L695 HydrophobicContact CG2-CD1 4Å; T692-L695 WeakPolarHBondContact O-CB 3.28Å; T692-L695 PolarHBondContact O-N 3.19Å; L695-M699 HydrophobicContact CB-CB 3.92Å; L695-M699 HydrophobicContact CD2-CB 4.24Å; L695-M699 HydrophobicContact CD2-SD 4.15Å; L695-M699 HydrophobicContact CG-CB 4.47Å; L695-K700 HydrophobicContact CB-CG 3.91Å; L695-K700 WeakPolarHBondContact O-CE 3.02Å; L695-L703 HydrophobicContact CD1-CD2 4.47Å |
| 696 | S | 80.8 | Confident | 87.7 | Confident | 60 Ų | 60 | 51.5 Ų | 51.5 | 42% | 0.42 | 26% | 0.262 | S | S | . | . | trans | -68.8 | 164.5 | 170.1 | 74 | 0 | 0 | 0 | 0 | 111.2 | G698 M699 K700 | S696-G698 VanDerWaalsContact C-N 3.33Å; S696-G698 PolarHBondContact O-N 3.02Å; S696-M699 PolarHBondContact O-N 3.43Å; S696-M699 VanDerWaalsContact OG-CG 3.28Å; S696-M699 WeakPolarHBondContact OG-CG 3.19Å; S696-M699 PolarHBondContact OG-N 2.85Å; S696-K700 WeakPolarHBondContact O-CG 3.24Å; S696-K700 PolarHBondContact O-N 3.3Å | ||
| 697 | G | 78.2 | Confident | 87.8 | Confident | 46 Ų | 46 | 44.9 Ų | 44.9 | 47% | 0.474 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.3 | -44.9 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | M699 K700 R701 | G697-M699 PolarHBondContact O-N 2.89Å; G697-K700 WeakPolarHBondContact O-CB 3.21Å; G697-K700 PolarHBondContact O-N 2.95Å; G697-R701 PolarHBondContact O-N 3.05Å |
| 698 | G | 82.9 | Confident | 87.9 | Confident | 7 Ų | 7 | 41.2 Ų | 41.2 | 7% | 0.072 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | S696 R701 R702 | S696-G698 VanDerWaalsContact C-N 3.33Å; S696-G698 PolarHBondContact O-N 3.02Å; G698-R701 PolarHBondContact O-N 2.89Å; G698-R702 WeakPolarHBondContact O-CG 3.27Å; G698-R702 PolarHBondContact O-N 3.08Å |
| 699 | M | 88.6 | Confident | 87.9 | Confident | 55 Ų | 55 | 38.6 Ų | 38.6 | 27% | 0.271 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -66.4 | -38.6 | 175.8 | -70.8 | 169.7 | 175.8 | 0 | 0 | 112.1 | L684 L695 S696 G697 R702 L703 | L684-M699 HydrophobicContact CD2-CB 4.04Å; L684-M699 HydrophobicContact CD2-CG 3.95Å; L695-M699 HydrophobicContact CB-CB 3.92Å; L695-M699 HydrophobicContact CD2-CB 4.24Å; L695-M699 HydrophobicContact CD2-SD 4.15Å; L695-M699 HydrophobicContact CG-CB 4.47Å; S696-M699 PolarHBondContact O-N 3.43Å; S696-M699 VanDerWaalsContact OG-CG 3.28Å; S696-M699 WeakPolarHBondContact OG-CG 3.19Å; S696-M699 PolarHBondContact OG-N 2.85Å; G697-M699 PolarHBondContact O-N 2.89Å; M699-R702 PolarHBondContact O-N 2.95Å; M699-L703 PolarHBondContact O-N 3.21Å |
| 700 | K | 89.9 | Confident | 87.9 | Confident | 54 Ų | 54 | 30.8 Ų | 30.8 | 24% | 0.235 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62.4 | -44.4 | 174.3 | -72.3 | 179.4 | -177.7 | -173 | 0 | 111.3 | D645 L647 T692 L695 S696 G697 R702 L703 S704 | D645-K700 HydrophobicContact CB-CB 4.33Å; D645-K700 WeakPolarHBondContact OD2-CB 3.47Å; L647-K700 HydrophobicContact CD1-CB 3.82Å; L647-K700 HydrophobicContact CD1-CG 4.04Å; T692-K700 WeakPolarHBondContact O-CE 3.32Å; L695-K700 HydrophobicContact CB-CG 3.91Å; L695-K700 WeakPolarHBondContact O-CE 3.02Å; S696-K700 WeakPolarHBondContact O-CG 3.24Å; S696-K700 PolarHBondContact O-N 3.3Å; G697-K700 WeakPolarHBondContact O-CB 3.21Å; G697-K700 PolarHBondContact O-N 2.95Å; K700-R702 PolarHBondContact O-N 2.81Å; K700-L703 WeakPolarHBondContact O-CB 3.35Å; K700-L703 PolarHBondContact O-N 2.96Å; K700-L703 VanDerWaalsContact O-N 3.15Å; K700-S704 PolarHBondContact O-N 3.33Å; K700-S704 PolarHBondContact O-OG 3.33Å |
| 701 | R | 90.4 | Very high | 87.5 | Confident | 6 Ų | 6 | 29 Ų | 29 | 2% | 0.023 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -60.3 | -44.6 | 176.1 | -177 | 66.6 | 80.8 | 142.6 | 20.2 | 112.3 | S642 Q643 D645 G697 G698 L703 S704 I705 E720 P721 L725 | S642-R701 PolarHBondContact O-NH1 3.06Å; Q643-R701 PolarHBondContact O-NH2 3.3Å; D645-R701 WeakPolarHBondContact OD1-CA 3.24Å; D645-R701 IonicContact OD1-NE 3.02Å; G697-R701 PolarHBondContact O-N 3.05Å; G698-R701 PolarHBondContact O-N 2.89Å; R701-L703 VanDerWaalsContact C-N 3.28Å; R701-L703 PolarHBondContact O-N 3.08Å; R701-S704 WeakPolarHBondContact O-CB 3.45Å; R701-S704 PolarHBondContact O-N 3.26Å; R701-S704 VanDerWaalsContact O-N 3.11Å; R701-I705 HydrophobicContact CG-CD1 4.18Å; R701-I705 WeakPolarHBondContact O-CG1 3.25Å; R701-I705 PolarHBondContact O-N 2.87Å; R701-E720 PolarHBondContact NH2-O 3.09Å; R701-P721 VanDerWaalsContact CD-O 3.24Å; R701-P721 WeakPolarHBondContact CD-O 3.44Å; R701-P721 VanDerWaalsContact CG-O 3.23Å; R701-P721 WeakPolarHBondContact CG-O 3.36Å; R701-P721 PolarHBondContact NE-O 3.31Å; R701-P721 PolarHBondContact NH2-O 2.86Å; R701-L725 HydrophobicContact CB-CD1 4.35Å; R701-L725 HydrophobicContact CB-CD2 4.4Å; R701-L725 HydrophobicContact CG-CD1 4.19Å |
| 702 | R | 92 | Very high | 87.3 | Confident | 14 Ų | 14 | 28.3 Ų | 28.3 | 5% | 0.053 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.8 | -37 | 175.7 | -71.4 | -162.4 | -55.2 | -94.2 | 16.4 | 112.6 | I682 L684 G698 M699 K700 I705 G706 Q732 V733 I736 | I682-R702 HydrophobicContact CB-CB 4.36Å; I682-R702 VanDerWaalsContact O-CD 3.3Å; I682-R702 WeakPolarHBondContact O-CD 2.87Å; I682-R702 PolarHBondContact O-NE 3.29Å; I682-R702 VanDerWaalsContact O-NE 3.08Å; L684-R702 HydrophobicContact CD1-CB 4.34Å; G698-R702 WeakPolarHBondContact O-CG 3.27Å; G698-R702 PolarHBondContact O-N 3.08Å; M699-R702 PolarHBondContact O-N 2.95Å; K700-R702 PolarHBondContact O-N 2.81Å; R702-I705 PolarHBondContact O-N 3.01Å; R702-G706 PolarHBondContact O-N 3.4Å; R702-Q732 VanDerWaalsContact CZ-OE1 3.24Å; R702-V733 HydrophobicContact CG-CG2 4.21Å; R702-I736 HydrophobicContact CG-CD1 4.12Å |
| 703 | L | 93.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.5 | -43.9 | 171.5 | 178.4 | 57.1 | 0 | 0 | 0 | 112.1 | L647 V653 H656 L657 L684 T692 L695 M699 K700 R701 I705 G706 M707 | L647-L703 HydrophobicContact CD1-CD2 4.22Å; L647-L703 HydrophobicContact CD2-CD2 4.14Å; L647-L703 HydrophobicContact CD2-CG 4.25Å; V653-L703 HydrophobicContact CG1-CD1 3.71Å; V653-L703 HydrophobicContact CG1-CD2 4.33Å; V653-L703 HydrophobicContact CG2-CD2 4.45Å; H656-L703 HydrophobicContact CB-CD1 4.29Å; H656-L703 HydrophobicContact CB-CD2 4.35Å; L657-L703 HydrophobicContact CD2-CD1 4.04Å; L657-L703 HydrophobicContact CG-CD1 4.1Å; L684-L703 HydrophobicContact CD1-CB 4.09Å; T692-L703 HydrophobicContact CG2-CD2 3.45Å; T692-L703 VanDerWaalsContact CG2-CD2 3.45Å; L695-L703 HydrophobicContact CD1-CD2 4.47Å; M699-L703 PolarHBondContact O-N 3.21Å; K700-L703 WeakPolarHBondContact O-CB 3.35Å; K700-L703 PolarHBondContact O-N 2.96Å; K700-L703 VanDerWaalsContact O-N 3.15Å; R701-L703 VanDerWaalsContact C-N 3.28Å; R701-L703 PolarHBondContact O-N 3.08Å; L703-I705 VanDerWaalsContact C-N 3.29Å; L703-I705 PolarHBondContact O-N 2.98Å; L703-G706 CarbonylContact O-C 3.58Å; L703-G706 WeakPolarHBondContact O-CA 3.24Å; L703-G706 PolarHBondContact O-N 3.26Å; L703-G706 VanDerWaalsContact O-N 3.1Å; L703-M707 HydrophobicContact CD1-CG 4.45Å; L703-M707 HydrophobicContact CG-SD 4.47Å; L703-M707 WeakPolarHBondContact O-CG 3.35Å; L703-M707 PolarHBondContact O-N 3.44Å |
| 704 | S | 92.2 | Very high | 87.4 | Confident | 13 Ų | 13 | 27 Ų | 27 | 9% | 0.091 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -58.5 | -40.7 | 175.5 | -57.7 | 0 | 0 | 0 | 0 | 111.8 | D645 K700 R701 M707 A708 | D645-S704 WeakPolarHBondContact OD1-CB 3.45Å; D645-S704 PolarHBondContact OD1-OG 2.84Å; K700-S704 PolarHBondContact O-N 3.33Å; K700-S704 PolarHBondContact O-OG 3.33Å; R701-S704 WeakPolarHBondContact O-CB 3.45Å; R701-S704 PolarHBondContact O-N 3.26Å; R701-S704 VanDerWaalsContact O-N 3.11Å; S704-M707 PolarHBondContact O-N 3.33Å; S704-A708 PolarHBondContact O-N 3.15Å |
| 705 | I | 92 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -66.5 | -42.2 | 173.7 | -65.5 | 169.3 | 0 | 0 | 0 | 110.5 | R701 R702 L703 M707 A708 L709 L718 V733 I736 | R701-I705 HydrophobicContact CG-CD1 4.18Å; R701-I705 WeakPolarHBondContact O-CG1 3.25Å; R701-I705 PolarHBondContact O-N 2.87Å; R702-I705 PolarHBondContact O-N 3.01Å; L703-I705 VanDerWaalsContact C-N 3.29Å; L703-I705 PolarHBondContact O-N 2.98Å; I705-M707 VanDerWaalsContact C-N 3.28Å; I705-M707 PolarHBondContact O-N 3.25Å; I705-A708 WeakPolarHBondContact O-CA 3.39Å; I705-A708 WeakPolarHBondContact O-CB 3.47Å; I705-A708 PolarHBondContact O-N 2.75Å; I705-L709 HydrophobicContact CG2-CD1 3.82Å; I705-L709 HydrophobicContact CG2-CG 4.24Å; I705-L709 WeakPolarHBondContact O-CG 3.27Å; I705-L709 PolarHBondContact O-N 2.98Å; I705-L718 HydrophobicContact CG1-CD2 4.45Å; I705-V733 HydrophobicContact CD1-CB 4.35Å; I705-V733 HydrophobicContact CD1-CG1 3.57Å; I705-V733 HydrophobicContact CD1-CG2 3.94Å; I705-I736 HydrophobicContact CG2-CG2 4.21Å |
| 706 | G | 92.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.5 | -38.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | R702 L703 A708 L709 I710 | R702-G706 PolarHBondContact O-N 3.4Å; L703-G706 CarbonylContact O-C 3.58Å; L703-G706 WeakPolarHBondContact O-CA 3.24Å; L703-G706 PolarHBondContact O-N 3.26Å; L703-G706 VanDerWaalsContact O-N 3.1Å; G706-A708 VanDerWaalsContact C-N 3.3Å; G706-A708 PolarHBondContact O-N 3.33Å; G706-L709 PolarHBondContact O-N 3.22Å; G706-I710 WeakPolarHBondContact O-CB 3.4Å; G706-I710 PolarHBondContact O-N 2.97Å |
| 707 | M | 91.6 | Very high | 89 | Confident | 11 Ų | 11 | 20 Ų | 20 | 5% | 0.054 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -68.9 | -25.9 | 174.5 | -68.4 | 173.6 | 53 | 0 | 0 | 113.5 | M258 L262 L647 H656 L657 S660 L703 S704 I705 I710 | M258-M707 HydrophobicContact CE-CE 3.4Å; M258-M707 HydrophobicContact SD-CE 3.79Å; L262-M707 HydrophobicContact CD1-CE 4.46Å; L647-M707 HydrophobicContact CD2-SD 3.58Å; L647-M707 VanDerWaalsContact CD2-SD 3.58Å; H656-M707 HydrophobicContact CB-SD 3.98Å; L657-M707 HydrophobicContact CD2-CG 4.19Å; S660-M707 WeakPolarHBondContact OG-CE 3.39Å; L703-M707 HydrophobicContact CD1-CG 4.45Å; L703-M707 HydrophobicContact CG-SD 4.47Å; L703-M707 WeakPolarHBondContact O-CG 3.35Å; L703-M707 PolarHBondContact O-N 3.44Å; S704-M707 PolarHBondContact O-N 3.33Å; I705-M707 VanDerWaalsContact C-N 3.28Å; I705-M707 PolarHBondContact O-N 3.25Å; M707-I710 WeakPolarHBondContact O-CG2 3.4Å |
| 708 | A | 90 | Very high | 89.7 | Confident | 1 Ų | 1 | 17.8 Ų | 17.8 | 1% | 0.008 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -80.9 | -32.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | G639 S704 I705 G706 S713 L716 | G639-A708 VanDerWaalsContact CA-O 3.29Å; G639-A708 WeakPolarHBondContact CA-O 3.38Å; S704-A708 PolarHBondContact O-N 3.15Å; I705-A708 WeakPolarHBondContact O-CA 3.39Å; I705-A708 WeakPolarHBondContact O-CB 3.47Å; I705-A708 PolarHBondContact O-N 2.75Å; G706-A708 VanDerWaalsContact C-N 3.3Å; G706-A708 PolarHBondContact O-N 3.33Å; A708-S713 PolarHBondContact O-OG 3.12Å; A708-L716 HydrophobicContact CB-CD1 3.58Å |
| 709 | L | 89.7 | Confident | 90 | Very high | 5 Ų | 5 | 17.8 Ų | 17.8 | 3% | 0.026 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -80.7 | -27.1 | 179.8 | -72.2 | 172.6 | 0 | 0 | 0 | 114 | I705 G706 D712 L716 I736 E740 K744 | I705-L709 HydrophobicContact CG2-CD1 3.82Å; I705-L709 HydrophobicContact CG2-CG 4.24Å; I705-L709 WeakPolarHBondContact O-CG 3.27Å; I705-L709 PolarHBondContact O-N 2.98Å; G706-L709 PolarHBondContact O-N 3.22Å; L709-D712 PolarHBondContact O-N 3.3Å; L709-L716 HydrophobicContact CD2-CD1 4.46Å; L709-L716 HydrophobicContact CD2-CD2 3.78Å; L709-I736 HydrophobicContact CD1-CG2 3.95Å; L709-E740 HydrophobicContact CD1-CG 4.27Å; L709-E740 HydrophobicContact CD2-CB 4.45Å; L709-E740 HydrophobicContact CD2-CG 3.98Å; L709-K744 HydrophobicContact CD2-CD 4.24Å |
| 710 | I | 88.8 | Confident | 89.9 | Confident | 1 Ų | 1 | 16 Ų | 16 | 1% | 0.005 | 8% | 0.083 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 144.6 | -176.8 | -157.1 | 155.8 | 0 | 0 | 0 | 111.3 | L657 A661 R664 V675 G706 M707 | L657-I710 HydrophobicContact CB-CD1 3.73Å; L657-I710 HydrophobicContact CD2-CD1 4.08Å; L657-I710 HydrophobicContact CG-CD1 4.44Å; L657-I710 VanDerWaalsContact O-CD1 3.31Å; L657-I710 WeakPolarHBondContact O-CD1 3.24Å; A661-I710 HydrophobicContact CB-CD1 3.8Å; A661-I710 HydrophobicContact CB-CG1 3.92Å; R664-I710 WeakPolarHBondContact CD-O 3.09Å; R664-I710 PolarHBondContact NE-O 3.06Å; V675-I710 HydrophobicContact CG2-CD1 3.97Å; G706-I710 WeakPolarHBondContact O-CB 3.4Å; G706-I710 PolarHBondContact O-N 2.97Å; M707-I710 WeakPolarHBondContact O-CG2 3.4Å |
| 711 | G | 80.3 | Confident | 89.8 | Confident | 25 Ų | 25 | 13.4 Ų | 13.4 | 26% | 0.258 | 7% | 0.072 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 79.7 | 15.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115 | C666 S713 | C666-G711 WeakPolarHBondContact SG-CA 3.3Å; G711-S713 VanDerWaalsContact C-N 3.3Å; G711-S713 PolarHBondContact O-N 3.12Å |
| 712 | D | 84 | Confident | 89.6 | Confident | 78 Ų | 78 | 13.1 Ų | 13.1 | 42% | 0.417 | 7% | 0.07 | S | C | . | . | trans | 52.2 | 44.6 | 175.4 | -65.4 | -43.3 | 0 | 0 | 0 | 113.6 | Q674 L709 K714 | Q674-D712 PolarHBondContact NE2-OD2 3Å; L709-D712 PolarHBondContact O-N 3.3Å; D712-K714 PolarHBondContact O-N 3.12Å | ||
| 713 | S | 85.4 | Confident | 88.8 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.007 | 8% | 0.08 | C | C | . | . | trans | -51.9 | 127.8 | 176.5 | 50.5 | 0 | 0 | 0 | 0 | 111.9 | A708 G711 K744 | A708-S713 PolarHBondContact O-OG 3.12Å; G711-S713 VanDerWaalsContact C-N 3.3Å; G711-S713 PolarHBondContact O-N 3.12Å; S713-K744 WeakPolarHBondContact O-CD 3.29Å; S713-K744 PolarHBondContact O-NZ 3.26Å | ||
| 714 | K | 87.4 | Confident | 87.6 | Confident | 103 Ų | 103 | 16.7 Ų | 16.7 | 45% | 0.448 | 11% | 0.106 | S | C | . | . | S | Bend | trans | -74.8 | -32 | -179.6 | -65 | -175.6 | 179.6 | -178.9 | 0 | 112.2 | Y623 N637 D712 T745 | Y623-K714 HydrophobicContact CD2-CB 4.34Å; Y623-K714 HydrophobicContact CE1-CD 4.44Å; Y623-K714 HydrophobicContact CE2-CB 3.76Å; Y623-K714 HydrophobicContact CE2-CD 4.45Å; N637-K714 PolarHBondContact O-N 3.19Å; N637-K714 VanDerWaalsContact O-N 3.12Å; D712-K714 PolarHBondContact O-N 3.12Å; K714-T745 PolarHBondContact O-N 3.18Å |
| 715 | V | 92 | Very high | 86.8 | Confident | 0 Ų | 0 | 16.7 Ų | 16.7 | 0% | 0 | 11% | 0.105 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.6 | 128.5 | 179.3 | -178.1 | 0 | 0 | 0 | 0 | 109.6 | I560 I622 Y623 N637 L638 G639 I717 T745 | I560-V715 HydrophobicContact CD1-CG1 3.64Å; I560-V715 HydrophobicContact CG1-CG1 3.99Å; I622-V715 HydrophobicContact CG2-CB 4.4Å; I622-V715 HydrophobicContact CG2-CG2 3.74Å; Y623-V715 HydrophobicContact CD2-CG2 3.53Å; Y623-V715 HydrophobicContact CE2-CG2 3.4Å; N637-V715 PolarHBondContact O-N 3.31Å; N637-V715 VanDerWaalsContact O-N 3.12Å; L638-V715 HydrophobicContact CD1-CB 3.96Å; L638-V715 HydrophobicContact CD1-CG1 3.62Å; G639-V715 PolarHBondContact N-O 3.13Å; V715-I717 HydrophobicContact CG1-CG1 4.26Å; V715-T745 CarbonylContact C-O 3.5Å; V715-T745 WeakPolarHBondContact CA-O 3.29Å |
| 716 | L | 93.4 | Very high | 85.9 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 115.1 | 176.8 | -174.4 | 66.1 | 0 | 0 | 0 | 110.2 | A708 L709 L718 L737 T745 I746 L747 | A708-L716 HydrophobicContact CB-CD1 3.58Å; L709-L716 HydrophobicContact CD2-CD1 4.46Å; L709-L716 HydrophobicContact CD2-CD2 3.78Å; L716-L718 HydrophobicContact CD1-CD2 4.13Å; L716-L718 HydrophobicContact CD2-CD1 3.9Å; L716-L718 HydrophobicContact CD2-CD2 4.29Å; L716-L718 HydrophobicContact CD2-CG 4.24Å; L716-L718 HydrophobicContact CG-CD1 4.16Å; L716-L718 HydrophobicContact CG-CD2 4.05Å; L716-L718 HydrophobicContact CG-CG 3.97Å; L716-L737 HydrophobicContact CD2-CD2 4.04Å; L716-T745 PolarHBondContact N-O 2.82Å; L716-I746 HydrophobicContact CB-CG1 4.29Å; L716-I746 HydrophobicContact CB-CG2 4.48Å; L716-I746 HydrophobicContact CD2-CD1 4.45Å; L716-I746 HydrophobicContact CD2-CG2 4.41Å; L716-I746 WeakPolarHBondContact O-CA 3.14Å; L716-L747 PolarHBondContact O-N 3.08Å |
| 717 | I | 93.7 | Very high | 85.1 | Confident | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 123.3 | 174.8 | -62.5 | -177.4 | 0 | 0 | 0 | 109.6 | I560 L606 L609 T610 L638 G639 F640 C641 V715 L747 | I560-I717 HydrophobicContact CD1-CD1 4.49Å; L606-I717 HydrophobicContact CB-CG2 4.22Å; L606-I717 HydrophobicContact CD1-CG2 3.85Å; L606-I717 HydrophobicContact CD2-CG2 3.59Å; L606-I717 HydrophobicContact CG-CG2 4.08Å; L609-I717 HydrophobicContact CB-CD1 3.91Å; L609-I717 HydrophobicContact CD1-CD1 4.22Å; T610-I717 HydrophobicContact CG2-CD1 4.34Å; L638-I717 HydrophobicContact CD1-CD1 3.73Å; L638-I717 HydrophobicContact CD1-CG1 3.82Å; G639-I717 PolarHBondContact O-N 3.36Å; F640-I717 WeakPolarHBondContact CA-O 3.24Å; F640-I717 HydrophobicContact CD2-CB 4.02Å; F640-I717 HydrophobicContact CD2-CG2 3.78Å; F640-I717 HydrophobicContact CE2-CG2 3.99Å; C641-I717 PolarHBondContact N-O 3.39Å; V715-I717 HydrophobicContact CG1-CG1 4.26Å; I717-L747 WeakPolarHBondContact CA-O 3.36Å; I717-L747 HydrophobicContact CG1-CB 4.34Å; I717-L747 HydrophobicContact CG1-CD2 4.47Å |
| 718 | L | 92.9 | Very high | 84.5 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 113.4 | -177 | -59.6 | 167.7 | 0 | 0 | 0 | 109.8 | C641 I705 L716 P721 L737 I746 L747 V748 T749 | C641-L718 HydrophobicContact CB-CD2 3.3Å; I705-L718 HydrophobicContact CG1-CD2 4.45Å; L716-L718 HydrophobicContact CD1-CD2 4.13Å; L716-L718 HydrophobicContact CD2-CD1 3.9Å; L716-L718 HydrophobicContact CD2-CD2 4.29Å; L716-L718 HydrophobicContact CD2-CG 4.24Å; L716-L718 HydrophobicContact CG-CD1 4.16Å; L716-L718 HydrophobicContact CG-CD2 4.05Å; L716-L718 HydrophobicContact CG-CG 3.97Å; L718-P721 HydrophobicContact CB-CB 4.24Å; L718-P721 HydrophobicContact CB-CG 4.02Å; L718-L737 HydrophobicContact CD1-CD1 3.7Å; L718-L737 HydrophobicContact CD1-CD2 3.29Å; L718-L737 HydrophobicContact CD1-CG 4.14Å; L718-I746 HydrophobicContact CD1-CG2 4.24Å; L718-L747 PolarHBondContact N-O 3.45Å; L718-V748 HydrophobicContact CB-CG1 4.4Å; L718-V748 HydrophobicContact CB-CG2 4.28Å; L718-V748 HydrophobicContact CD1-CG2 3.99Å; L718-V748 WeakPolarHBondContact O-CA 3.23Å; L718-T749 PolarHBondContact O-N 3.4Å; L718-T749 PolarHBondContact O-OG1 3.19Å |
| 719 | D | 90.3 | Very high | 84 | Confident | 7 Ų | 7 | 20.8 Ų | 20.8 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 104.8 | 177 | -166.6 | 30.6 | 0 | 0 | 0 | 110.7 | T603 L606 F640 C641 Q643 T749 | T603-D719 VanDerWaalsContact CG2-OD2 3.25Å; T603-D719 WeakPolarHBondContact CG2-OD2 3.36Å; T603-D719 PolarHBondContact OG1-OD1 2.82Å; L606-D719 HydrophobicContact CD1-CB 3.74Å; F640-D719 HydrophobicContact CE2-CB 4.35Å; F640-D719 HydrophobicContact CZ-CB 4.47Å; C641-D719 PolarHBondContact O-N 2.84Å; Q643-D719 VanDerWaalsContact CA-O 3.3Å; Q643-D719 WeakPolarHBondContact CA-O 3.47Å; Q643-D719 PolarHBondContact N-O 2.82Å; D719-T749 VanDerWaalsContact CA-OG1 3.28Å; D719-T749 WeakPolarHBondContact CA-OG1 3.41Å; D719-T749 PolarHBondContact OD1-OG1 3.3Å |
| 720 | E | 86.8 | Confident | 83.8 | Confident | 16 Ų | 16 | 21 Ų | 21 | 8% | 0.075 | 13% | 0.126 | C | C | . | . | S | Bend | trans | 45.3 | 61.6 | -177.8 | -63.4 | -177.8 | -160.4 | 0 | 0 | 114.1 | Q643 R701 T722 S723 T749 H751 | Q643-E720 HydrophobicContact CG-CB 4.29Å; Q643-E720 VanDerWaalsContact NE2-CD 3.34Å; Q643-E720 PolarHBondContact NE2-OE2 3.34Å; R701-E720 PolarHBondContact NH2-O 3.09Å; E720-T722 PolarHBondContact O-N 3.07Å; E720-T722 VanDerWaalsContact O-N 3.1Å; E720-S723 PolarHBondContact O-N 2.73Å; E720-S723 PolarHBondContact OE2-OG 3.07Å; E720-T749 WeakPolarHBondContact CA-O 3.49Å; E720-T749 PolarHBondContact N-O 3.36Å; E720-T749 PolarHBondContact N-OG1 2.85Å; E720-T749 VanDerWaalsContact N-OG1 3.07Å; E720-H751 VanDerWaalsContact CD-CD2 3.42Å; E720-H751 IonicContact OE1-CD2 3.14Å; E720-H751 PolarHBondContact OE1-CD2 3.46Å; E720-H751 IonicContact OE1-NE2 3.9Å; E720-H751 PolarHBondContact OE1-NE2 2.68Å; E720-H751 VanDerWaalsContact OE1-NE2 3.16Å |
| 721 | P | 87.5 | Confident | 83.5 | Confident | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 14% | 0.136 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -24 | -170.5 | 24.3 | -33.1 | 0 | 0 | 0 | 114.3 | R701 L718 V733 V748 T749 | R701-P721 VanDerWaalsContact CD-O 3.24Å; R701-P721 WeakPolarHBondContact CD-O 3.44Å; R701-P721 VanDerWaalsContact CG-O 3.23Å; R701-P721 WeakPolarHBondContact CG-O 3.36Å; R701-P721 PolarHBondContact NE-O 3.31Å; R701-P721 PolarHBondContact NH2-O 2.86Å; L718-P721 HydrophobicContact CB-CB 4.24Å; L718-P721 HydrophobicContact CB-CG 4.02Å; P721-V733 HydrophobicContact CB-CG1 4.37Å; P721-V748 HydrophobicContact CG-CG1 3.73Å; P721-T749 WeakPolarHBondContact CD-O 3.38Å |
| 722 | T | 85.3 | Confident | 83.7 | Confident | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | 2.2 | -172 | 63.7 | 0 | 0 | 0 | 0 | 114.1 | E720 G724 L725 R730 V733 E755 | E720-T722 PolarHBondContact O-N 3.07Å; E720-T722 VanDerWaalsContact O-N 3.1Å; T722-G724 PolarHBondContact O-N 3.24Å; T722-L725 WeakPolarHBondContact O-CB 3.39Å; T722-L725 PolarHBondContact O-N 3.33Å; T722-L725 VanDerWaalsContact O-N 3.08Å; T722-R730 HydrophobicContact CG2-CG 3.66Å; T722-V733 HydrophobicContact CG2-CB 4.42Å; T722-V733 HydrophobicContact CG2-CG1 4.11Å; T722-E755 WeakPolarHBondContact CG2-OE1 3.48Å; T722-E755 PolarHBondContact OG1-OE1 3.07Å; T722-E755 PolarHBondContact OG1-OE2 2.74Å |
| 723 | S | 75.6 | Confident | 84 | Confident | 37 Ų | 37 | 20.9 Ų | 20.9 | 26% | 0.259 | 11% | 0.114 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.7 | 124.2 | -178.3 | -166.1 | 0 | 0 | 0 | 0 | 111.6 | E720 L725 | E720-S723 PolarHBondContact O-N 2.73Å; E720-S723 PolarHBondContact OE2-OG 3.07Å; S723-L725 VanDerWaalsContact C-N 3.27Å; S723-L725 PolarHBondContact O-N 3.41Å |
| 724 | G | 67.7 | Low | 84.1 | Confident | 52 Ų | 52 | 21.3 Ų | 21.3 | 54% | 0.536 | 12% | 0.116 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.3 | 5.3 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | T722 | T722-G724 PolarHBondContact O-N 3.24Š|
| 725 | L | 76.4 | Confident | 84.2 | Confident | 13 Ų | 13 | 19.7 Ų | 19.7 | 7% | 0.068 | 11% | 0.112 | C | C | . | . | trans | -83.8 | 146.7 | 171.6 | -58 | -171.4 | 0 | 0 | 0 | 111.2 | R701 T722 S723 A729 R730 V733 | R701-L725 HydrophobicContact CB-CD1 4.35Å; R701-L725 HydrophobicContact CB-CD2 4.4Å; R701-L725 HydrophobicContact CG-CD1 4.19Å; T722-L725 WeakPolarHBondContact O-CB 3.39Å; T722-L725 PolarHBondContact O-N 3.33Å; T722-L725 VanDerWaalsContact O-N 3.08Å; S723-L725 VanDerWaalsContact C-N 3.27Å; S723-L725 PolarHBondContact O-N 3.41Å; L725-A729 HydrophobicContact CB-CB 4.32Å; L725-A729 HydrophobicContact CD1-CB 4.46Å; L725-R730 HydrophobicContact CB-CB 4.47Å; L725-R730 PolarHBondContact O-NH2 3.06Å; L725-R730 VanDerWaalsContact O-NH2 3.12Å; L725-V733 HydrophobicContact CD1-CG2 4.02Å | ||
| 726 | D | 73.1 | Confident | 84.1 | Confident | 22 Ų | 22 | 20 Ų | 20 | 12% | 0.118 | 11% | 0.113 | C | C | . | . | trans | -73.5 | 160 | 168.4 | 52.8 | -19.9 | 0 | 0 | 0 | 111.2 | E728 A729 R730 N1498 | D726-E728 PolarHBondContact O-N 3.08Å; D726-E728 VanDerWaalsContact O-N 3.15Å; D726-A729 PolarHBondContact O-N 3.47Å; D726-A729 WeakPolarHBondContact OD1-CB 3.3Å; D726-R730 WeakPolarHBondContact O-CB 3.49Å; D726-R730 PolarHBondContact O-N 2.98Å; D726-N1498 HydrophobicContact CB-CB 4.15Å; D726-N1498 PolarHBondContact N-ND2 3.19Å; D726-N1498 PolarHBondContact OD2-N 3.39Å | ||
| 727 | P | 75.6 | Confident | 84 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -51.9 | -39.2 | -174.3 | -32.6 | 38.8 | 0 | 0 | 0 | 114.6 | R730 R731 E1805 F1808 I1809 | P727-R730 WeakPolarHBondContact O-CB 3.46Å; P727-R730 PolarHBondContact O-N 2.88Å; P727-R731 PolarHBondContact O-N 3.09Å; P727-E1805 HydrophobicContact CB-CG 4.15Å; P727-F1808 HydrophobicContact CB-CD1 4.3Å; P727-F1808 HydrophobicContact CB-CE1 4.05Å; P727-F1808 HydrophobicContact CG-CD1 4.26Å; P727-F1808 HydrophobicContact CG-CE1 3.77Å; P727-I1809 HydrophobicContact CB-CD1 4.23Å; P727-I1809 HydrophobicContact CB-CG1 4.37Å |
| 728 | E | 79.5 | Confident | 83.7 | Confident | 68 Ų | 68 | 22.1 Ų | 22.1 | 32% | 0.318 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -66.4 | -50.8 | 179.5 | -170.6 | -169.4 | 158.6 | 0 | 0 | 112.3 | D726 R730 R731 Q732 | D726-E728 PolarHBondContact O-N 3.08Å; D726-E728 VanDerWaalsContact O-N 3.15Å; E728-R730 PolarHBondContact O-N 3.31Å; E728-R731 PolarHBondContact O-N 3.04Å; E728-Q732 WeakPolarHBondContact O-CG 3.48Å; E728-Q732 PolarHBondContact O-N 3.48Å; E728-Q732 VanDerWaalsContact O-N 3.09Å |
| 729 | A | 79.5 | Confident | 83.5 | Confident | 9 Ų | 9 | 25.7 Ų | 25.7 | 7% | 0.074 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -65.2 | -31.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L725 D726 V733 | L725-A729 HydrophobicContact CB-CB 4.32Å; L725-A729 HydrophobicContact CD1-CB 4.46Å; D726-A729 PolarHBondContact O-N 3.47Å; D726-A729 WeakPolarHBondContact OD1-CB 3.3Å; A729-V733 WeakPolarHBondContact O-CG2 3.49Å; A729-V733 PolarHBondContact O-N 2.81Å |
| 730 | R | 83.7 | Confident | 83.4 | Confident | 8 Ų | 8 | 26.2 Ų | 26.2 | 3% | 0.03 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.4 | -49.2 | 173.3 | -177.5 | 178.8 | -43.7 | 137.9 | 6.9 | 111.4 | T722 L725 D726 P727 E728 Q732 V733 W734 E1805 | T722-R730 HydrophobicContact CG2-CG 3.66Å; L725-R730 HydrophobicContact CB-CB 4.47Å; L725-R730 PolarHBondContact O-NH2 3.06Å; L725-R730 VanDerWaalsContact O-NH2 3.12Å; D726-R730 WeakPolarHBondContact O-CB 3.49Å; D726-R730 PolarHBondContact O-N 2.98Å; P727-R730 WeakPolarHBondContact O-CB 3.46Å; P727-R730 PolarHBondContact O-N 2.88Å; E728-R730 PolarHBondContact O-N 3.31Å; R730-Q732 VanDerWaalsContact C-N 3.33Å; R730-Q732 PolarHBondContact O-N 3.25Å; R730-V733 WeakPolarHBondContact O-CA 3.4Å; R730-V733 WeakPolarHBondContact O-CB 3.33Å; R730-V733 PolarHBondContact O-N 3.07Å; R730-W734 HydrophobicContact CG-CD2 4.3Å; R730-W734 HydrophobicContact CG-CH2 4.49Å; R730-W734 HydrophobicContact CG-CZ2 3.62Å; R730-W734 VanDerWaalsContact O-CD1 3.29Å; R730-W734 PolarHBondContact O-N 3.1Å; R730-E1805 IonicContact NH1-OE1 2.75Å |
| 731 | R | 82.5 | Confident | 83.4 | Confident | 54 Ų | 54 | 26.4 Ų | 26.4 | 20% | 0.204 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.2 | -40.9 | 176.8 | -74.6 | -150.7 | -175.5 | 167.3 | 2.1 | 113 | P727 E728 V733 W734 D735 I1809 | P727-R731 PolarHBondContact O-N 3.09Å; E728-R731 PolarHBondContact O-N 3.04Å; R731-V733 PolarHBondContact O-N 2.69Å; R731-W734 HydrophobicContact CG-CE3 4.06Å; R731-W734 HydrophobicContact CG-CZ3 4.32Å; R731-W734 WeakPolarHBondContact O-CA 3.31Å; R731-W734 WeakPolarHBondContact O-CB 3.31Å; R731-W734 PolarHBondContact O-N 3.31Å; R731-D735 PolarHBondContact O-N 3.23Å; R731-I1809 HydrophobicContact CG-CD1 4.12Å |
| 732 | Q | 86.3 | Confident | 83.2 | Confident | 49 Ų | 49 | 33.8 Ų | 33.8 | 23% | 0.229 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59 | -33.4 | 174.5 | -69.8 | 170.4 | 2.3 | 0 | 0 | 112.3 | R702 E728 R730 I736 | R702-Q732 VanDerWaalsContact CZ-OE1 3.24Å; E728-Q732 WeakPolarHBondContact O-CG 3.48Å; E728-Q732 PolarHBondContact O-N 3.48Å; E728-Q732 VanDerWaalsContact O-N 3.09Å; R730-Q732 VanDerWaalsContact C-N 3.33Å; R730-Q732 PolarHBondContact O-N 3.25Å; Q732-I736 VanDerWaalsContact O-CD1 3.28Å; Q732-I736 WeakPolarHBondContact O-CD1 3.33Å; Q732-I736 WeakPolarHBondContact O-CG1 3.49Å; Q732-I736 PolarHBondContact O-N 2.92Å |
| 733 | V | 89.6 | Confident | 83.1 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.7 | -42 | 172.6 | 169.3 | 0 | 0 | 0 | 0 | 110.9 | R702 I705 P721 T722 L725 A729 R730 R731 I736 L737 | R702-V733 HydrophobicContact CG-CG2 4.21Å; I705-V733 HydrophobicContact CD1-CB 4.35Å; I705-V733 HydrophobicContact CD1-CG1 3.57Å; I705-V733 HydrophobicContact CD1-CG2 3.94Å; P721-V733 HydrophobicContact CB-CG1 4.37Å; T722-V733 HydrophobicContact CG2-CB 4.42Å; T722-V733 HydrophobicContact CG2-CG1 4.11Å; L725-V733 HydrophobicContact CD1-CG2 4.02Å; A729-V733 WeakPolarHBondContact O-CG2 3.49Å; A729-V733 PolarHBondContact O-N 2.81Å; R730-V733 WeakPolarHBondContact O-CA 3.4Å; R730-V733 WeakPolarHBondContact O-CB 3.33Å; R730-V733 PolarHBondContact O-N 3.07Å; R731-V733 PolarHBondContact O-N 2.69Å; V733-I736 WeakPolarHBondContact O-CB 3.39Å; V733-I736 PolarHBondContact O-N 2.91Å; V733-L737 HydrophobicContact CG1-CD1 4.19Å; V733-L737 HydrophobicContact CG1-CG 4.46Å; V733-L737 WeakPolarHBondContact O-CG 3.42Å; V733-L737 PolarHBondContact O-N 3.47Å; V733-L737 VanDerWaalsContact O-N 3.08Å |
| 734 | W | 88.3 | Confident | 83.8 | Confident | 9 Ų | 9 | 38.6 Ų | 38.6 | 3% | 0.034 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.8 | -44.9 | 177.1 | -61.5 | -7.6 | 0 | 0 | 0 | 112.3 | R730 R731 I736 L737 Q738 E755 H758 L759 | R730-W734 HydrophobicContact CG-CD2 4.3Å; R730-W734 HydrophobicContact CG-CH2 4.49Å; R730-W734 HydrophobicContact CG-CZ2 3.62Å; R730-W734 VanDerWaalsContact O-CD1 3.29Å; R730-W734 PolarHBondContact O-N 3.1Å; R731-W734 HydrophobicContact CG-CE3 4.06Å; R731-W734 HydrophobicContact CG-CZ3 4.32Å; R731-W734 WeakPolarHBondContact O-CA 3.31Å; R731-W734 WeakPolarHBondContact O-CB 3.31Å; R731-W734 PolarHBondContact O-N 3.31Å; W734-I736 PolarHBondContact O-N 3.32Å; W734-L737 PolarHBondContact O-N 3.02Å; W734-L737 VanDerWaalsContact O-N 3.08Å; W734-Q738 WeakPolarHBondContact O-CB 3.3Å; W734-Q738 WeakPolarHBondContact O-CG 3.07Å; W734-Q738 PolarHBondContact O-N 3.25Å; W734-E755 HydrophobicContact CZ2-CB 3.62Å; W734-E755 HydrophobicContact CZ2-CG 4.08Å; W734-E755 PolarHBondContact NE1-OE1 2.88Å; W734-H758 AromaticContact CD2-CD2 3.96Å; W734-H758 HydrophobicContact CE3-CB 4.4Å; W734-H758 AromaticContact CE3-CD2 3.26Å; W734-H758 AromaticContact CE3-CG 4Å; W734-H758 AromaticContact CE3-NE2 3.96Å; W734-H758 HydrophobicContact CZ3-CB 4.17Å; W734-H758 AromaticContact CZ3-CD2 3.75Å; W734-L759 HydrophobicContact CB-CD2 3.84Å; W734-L759 HydrophobicContact CB-CG 4.5Å; W734-L759 HydrophobicContact CG-CD1 4.21Å; W734-L759 HydrophobicContact CG-CD2 4.08Å; W734-L759 HydrophobicContact CG-CG 4.2Å |
| 735 | D | 88.2 | Confident | 85 | Confident | 70 Ų | 70 | 36.1 Ų | 36.1 | 37% | 0.374 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -57.1 | -41 | 177.4 | -60.4 | -25.1 | 0 | 0 | 0 | 110.8 | R731 A739 | R731-D735 PolarHBondContact O-N 3.23Å; D735-A739 VanDerWaalsContact O-CB 3.3Å; D735-A739 WeakPolarHBondContact O-CB 3.38Å; D735-A739 PolarHBondContact O-N 3.38Å |
| 736 | I | 90.7 | Very high | 85.9 | Confident | 5 Ų | 5 | 35.5 Ų | 35.5 | 3% | 0.026 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -45.8 | 176.2 | -65.5 | 163.4 | 0 | 0 | 0 | 111 | K681 I682 Y683 R702 I705 L709 Q732 V733 W734 A739 E740 | K681-I736 WeakPolarHBondContact O-CG1 3.48Å; I682-I736 HydrophobicContact CB-CD1 4.42Å; Y683-I736 HydrophobicContact CD2-CD1 4.24Å; Y683-I736 HydrophobicContact CD2-CG1 4.36Å; Y683-I736 HydrophobicContact CE2-CD1 4.3Å; Y683-I736 HydrophobicContact CE2-CG1 3.95Å; R702-I736 HydrophobicContact CG-CD1 4.12Å; I705-I736 HydrophobicContact CG2-CG2 4.21Å; L709-I736 HydrophobicContact CD1-CG2 3.95Å; Q732-I736 VanDerWaalsContact O-CD1 3.28Å; Q732-I736 WeakPolarHBondContact O-CD1 3.33Å; Q732-I736 WeakPolarHBondContact O-CG1 3.49Å; Q732-I736 PolarHBondContact O-N 2.92Å; V733-I736 WeakPolarHBondContact O-CB 3.39Å; V733-I736 PolarHBondContact O-N 2.91Å; W734-I736 PolarHBondContact O-N 3.32Å; I736-A739 PolarHBondContact O-N 3.08Å; I736-E740 WeakPolarHBondContact O-CG 3.32Å; I736-E740 PolarHBondContact O-N 2.6Å |
| 737 | L | 91.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -69.5 | -40.2 | -177.6 | -63.1 | -179.9 | 0 | 0 | 0 | 112.4 | I591 L716 L718 V733 W734 A739 E740 R741 L759 | I591-L737 HydrophobicContact CD1-CB 4.47Å; L716-L737 HydrophobicContact CD2-CD2 4.04Å; L718-L737 HydrophobicContact CD1-CD1 3.7Å; L718-L737 HydrophobicContact CD1-CD2 3.29Å; L718-L737 HydrophobicContact CD1-CG 4.14Å; V733-L737 HydrophobicContact CG1-CD1 4.19Å; V733-L737 HydrophobicContact CG1-CG 4.46Å; V733-L737 WeakPolarHBondContact O-CG 3.42Å; V733-L737 PolarHBondContact O-N 3.47Å; V733-L737 VanDerWaalsContact O-N 3.08Å; W734-L737 PolarHBondContact O-N 3.02Å; W734-L737 VanDerWaalsContact O-N 3.08Å; L737-A739 VanDerWaalsContact C-N 3.33Å; L737-E740 PolarHBondContact O-N 3.35Å; L737-R741 PolarHBondContact O-N 3.48Å; L737-R741 VanDerWaalsContact O-N 3.15Å; L737-L759 HydrophobicContact CB-CD2 4.49Å; L737-L759 HydrophobicContact CD1-CD1 3.91Å |
| 738 | Q | 87.8 | Confident | 87.8 | Confident | 46 Ų | 46 | 34.7 Ų | 34.7 | 22% | 0.215 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -64.1 | -39.2 | 175.6 | -74.5 | 177 | -1.4 | 0 | 0 | 111.6 | W734 E740 R741 H758 L759 | W734-Q738 WeakPolarHBondContact O-CB 3.3Å; W734-Q738 WeakPolarHBondContact O-CG 3.07Å; W734-Q738 PolarHBondContact O-N 3.25Å; Q738-E740 VanDerWaalsContact C-N 3.29Å; Q738-E740 PolarHBondContact O-N 2.73Å; Q738-R741 WeakPolarHBondContact O-CB 3.49Å; Q738-R741 PolarHBondContact O-N 3.34Å; Q738-H758 PolarHBondContact NE2-CD2 2.94Å; Q738-H758 PolarHBondContact NE2-NE2 3.21Å; Q738-L759 HydrophobicContact CG-CD2 3.81Å |
| 739 | A | 87.9 | Confident | 88.3 | Confident | 75 Ų | 75 | 31.4 Ų | 31.4 | 62% | 0.62 | 16% | 0.16 | S | C | * | . | H | α-helix | trans | -63.9 | -32.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113 | D735 I736 L737 | D735-A739 VanDerWaalsContact O-CB 3.3Å; D735-A739 WeakPolarHBondContact O-CB 3.38Å; D735-A739 PolarHBondContact O-N 3.38Å; I736-A739 PolarHBondContact O-N 3.08Å; L737-A739 VanDerWaalsContact C-N 3.33Å |
| 740 | E | 88.6 | Confident | 88.7 | Confident | 17 Ų | 17 | 31.1 Ų | 31.1 | 8% | 0.079 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -91.6 | -4.2 | -180 | -61.4 | -66.7 | 130.3 | 0 | 0 | 113.9 | K681 L709 I736 L737 Q738 Q742 K744 | K681-E740 VanDerWaalsContact CD-OE1 3.24Å; K681-E740 WeakPolarHBondContact CD-OE1 3.31Å; K681-E740 WeakPolarHBondContact CE-OE1 3.49Å; K681-E740 IonicContact NZ-OE1 2.66Å; K681-E740 PolarHBondContact NZ-OE1 2.92Å; K681-E740 IonicContact NZ-OE2 2.75Å; K681-E740 PolarHBondContact NZ-OE2 2.98Å; L709-E740 HydrophobicContact CD1-CG 4.27Å; L709-E740 HydrophobicContact CD2-CB 4.45Å; L709-E740 HydrophobicContact CD2-CG 3.98Å; I736-E740 WeakPolarHBondContact O-CG 3.32Å; I736-E740 PolarHBondContact O-N 2.6Å; L737-E740 PolarHBondContact O-N 3.35Å; Q738-E740 VanDerWaalsContact C-N 3.29Å; Q738-E740 PolarHBondContact O-N 2.73Å; E740-Q742 PolarHBondContact O-N 3.37Å; E740-K744 HydrophobicContact CB-CD 4.28Å; E740-K744 VanDerWaalsContact OE2-CE 3.22Å; E740-K744 WeakPolarHBondContact OE2-CE 3.31Å |
| 741 | R | 86.9 | Confident | 88.3 | Confident | 20 Ų | 20 | 31.5 Ų | 31.5 | 8% | 0.075 | 16% | 0.159 | C | C | . | . | G | 310 helix | trans | -57.1 | -42.4 | -173.7 | 174.5 | 175.3 | 57.4 | 179.7 | -4.6 | 113.7 | G589 I591 L737 Q738 E743 D761 D1758 H1760 | G589-R741 CarbonylContact C-O 3.57Å; G589-R741 VanDerWaalsContact CA-O 3.24Å; G589-R741 WeakPolarHBondContact CA-O 3.4Å; G589-R741 WeakPolarHBondContact O-CG 3.35Å; I591-R741 HydrophobicContact CD1-CB 4.19Å; I591-R741 HydrophobicContact CD1-CG 4.32Å; I591-R741 HydrophobicContact CG1-CB 4.22Å; I591-R741 HydrophobicContact CG1-CG 3.97Å; L737-R741 PolarHBondContact O-N 3.48Å; L737-R741 VanDerWaalsContact O-N 3.15Å; Q738-R741 WeakPolarHBondContact O-CB 3.49Å; Q738-R741 PolarHBondContact O-N 3.34Å; R741-E743 VanDerWaalsContact C-N 3.33Å; R741-E743 PolarHBondContact O-N 3.28Å; R741-D761 WeakPolarHBondContact CD-OD2 3.41Å; R741-D761 IonicContact CZ-OD1 3.46Å; R741-D761 IonicContact NH1-OD1 2.86Å; R741-D761 PolarHBondContact NH1-OD1 3.37Å; R741-D761 IonicContact NH1-OD2 3.69Å; R741-D1758 IonicContact NH2-OD1 3.74Å; R741-D1758 IonicContact NH2-OD2 3.13Å; R741-H1760 PolarHBondContact NH1-CD2 2.98Å; R741-H1760 VanDerWaalsContact NH1-CG 3.33Å; R741-H1760 VanDerWaalsContact NH2-CG 3.32Å; R741-H1760 PolarHBondContact NH2-ND1 2.9Å |
| 742 | Q | 82.6 | Confident | 88.1 | Confident | 155 Ų | 155 | 31 Ų | 31 | 72% | 0.724 | 16% | 0.157 | S | C | * | . | G | 310 helix | trans | -66.4 | -30.9 | -168.2 | -68.9 | -173.5 | -6.6 | 0 | 0 | 114.2 | E740 | E740-Q742 PolarHBondContact O-N 3.37Š|
| 743 | E | 83.4 | Confident | 87.8 | Confident | 134 Ų | 134 | 28.7 Ų | 28.7 | 63% | 0.626 | 15% | 0.147 | S | C | * | . | G | 310 helix | trans | -105.5 | 1.6 | -173 | -62.7 | -177.2 | 170.1 | 0 | 0 | 113.1 | R741 | R741-E743 VanDerWaalsContact C-N 3.33Å; R741-E743 PolarHBondContact O-N 3.28Å |
| 744 | K | 89.9 | Confident | 87.2 | Confident | 5 Ų | 5 | 30.8 Ų | 30.8 | 2% | 0.022 | 16% | 0.158 | C | C | . | . | S | Bend | trans | -136.6 | 153.5 | -169.6 | -60.2 | -171.4 | -173.7 | -60.8 | 0 | 112.9 | G589 L709 S713 E740 I746 | G589-K744 PolarHBondContact N-O 3.27Å; G589-K744 VanDerWaalsContact N-O 3.1Å; L709-K744 HydrophobicContact CD2-CD 4.24Å; S713-K744 WeakPolarHBondContact O-CD 3.29Å; S713-K744 PolarHBondContact O-NZ 3.26Å; E740-K744 HydrophobicContact CB-CD 4.28Å; E740-K744 VanDerWaalsContact OE2-CE 3.22Å; E740-K744 WeakPolarHBondContact OE2-CE 3.31Å; K744-I746 HydrophobicContact CB-CG1 4.1Å |
| 745 | T | 93.3 | Very high | 87 | Confident | 0 Ų | 0 | 30.4 Ų | 30.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.3 | 111.8 | 166.6 | -58.8 | 0 | 0 | 0 | 0 | 108.4 | I560 I586 E588 Y623 K714 V715 L716 | I560-T745 HydrophobicContact CG1-CG2 4.39Å; I586-T745 HydrophobicContact CB-CG2 4.32Å; I586-T745 HydrophobicContact CG2-CG2 3.53Å; E588-T745 WeakPolarHBondContact CA-OG1 3.22Å; Y623-T745 PolarHBondContact OH-OG1 2.67Å; K714-T745 PolarHBondContact O-N 3.18Å; V715-T745 CarbonylContact C-O 3.5Å; V715-T745 WeakPolarHBondContact CA-O 3.29Å; L716-T745 PolarHBondContact N-O 2.82Å |
| 746 | I | 94.4 | Very high | 87 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 123.4 | -175 | -52.5 | -176.6 | 0 | 0 | 0 | 110.3 | Q590 I591 T592 L716 L718 K744 V748 | Q590-I746 PolarHBondContact O-N 3.24Å; I591-I746 WeakPolarHBondContact CA-O 3.16Å; I591-I746 HydrophobicContact CG1-CB 4.09Å; I591-I746 HydrophobicContact CG1-CD1 4.14Å; I591-I746 HydrophobicContact CG1-CG2 4.46Å; I591-I746 HydrophobicContact CG2-CB 4.49Å; I591-I746 HydrophobicContact CG2-CG2 4.3Å; T592-I746 PolarHBondContact N-O 2.99Å; L716-I746 HydrophobicContact CB-CG1 4.29Å; L716-I746 HydrophobicContact CB-CG2 4.48Å; L716-I746 HydrophobicContact CD2-CD1 4.45Å; L716-I746 HydrophobicContact CD2-CG2 4.41Å; L716-I746 WeakPolarHBondContact O-CA 3.14Å; L718-I746 HydrophobicContact CD1-CG2 4.24Å; K744-I746 HydrophobicContact CB-CG1 4.1Å; I746-V748 HydrophobicContact CG2-CG2 3.71Å |
| 747 | L | 94.6 | Very high | 86.6 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 2% | 0.016 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 117.7 | 172.5 | 176 | 61.1 | 0 | 0 | 0 | 109.8 | I560 I586 T592 L594 L606 L609 L716 I717 L718 | I560-L747 HydrophobicContact CD1-CD2 4.42Å; I586-L747 HydrophobicContact CD1-CB 4.29Å; I586-L747 HydrophobicContact CD1-CD1 3.86Å; I586-L747 HydrophobicContact CD1-CD2 3.76Å; I586-L747 HydrophobicContact CD1-CG 4.17Å; T592-L747 HydrophobicContact CG2-CD1 4.35Å; T592-L747 WeakPolarHBondContact O-CA 3.2Å; L594-L747 HydrophobicContact CB-CD1 4.31Å; L606-L747 HydrophobicContact CD2-CD2 3.43Å; L606-L747 VanDerWaalsContact CD2-CD2 3.43Å; L606-L747 HydrophobicContact CD2-CG 3.97Å; L609-L747 HydrophobicContact CD1-CD2 3.77Å; L716-L747 PolarHBondContact O-N 3.08Å; I717-L747 WeakPolarHBondContact CA-O 3.36Å; I717-L747 HydrophobicContact CG1-CB 4.34Å; I717-L747 HydrophobicContact CG1-CD2 4.47Å; L718-L747 PolarHBondContact N-O 3.45Å |
| 748 | V | 94.1 | Very high | 86.2 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.006 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 131.2 | -179 | -173.5 | 0 | 0 | 0 | 0 | 110.3 | I591 T592 V593 L594 L718 P721 I746 | I591-V748 HydrophobicContact CG2-CG2 4.01Å; T592-V748 PolarHBondContact O-N 2.85Å; V593-V748 CarbonylContact C-O 3.59Å; V593-V748 VanDerWaalsContact CA-O 3.29Å; V593-V748 WeakPolarHBondContact CA-O 3.13Å; L594-V748 PolarHBondContact N-O 3.24Å; L718-V748 HydrophobicContact CB-CG1 4.4Å; L718-V748 HydrophobicContact CB-CG2 4.28Å; L718-V748 HydrophobicContact CD1-CG2 3.99Å; L718-V748 WeakPolarHBondContact O-CA 3.23Å; P721-V748 HydrophobicContact CG-CG1 3.73Å; I746-V748 HydrophobicContact CG2-CG2 3.71Å |
| 749 | T | 91.5 | Very high | 86.1 | Confident | 0 Ų | 0 | 30.9 Ų | 30.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 135 | 160.7 | 56.9 | 0 | 0 | 0 | 0 | 108.9 | L594 K602 L606 L718 D719 E720 P721 | L594-T749 HydrophobicContact CB-CG2 4.08Å; L594-T749 HydrophobicContact CD2-CG2 4.22Å; K602-T749 HydrophobicContact CB-CG2 4.02Å; L606-T749 HydrophobicContact CD1-CG2 3.48Å; L606-T749 VanDerWaalsContact CD1-CG2 3.48Å; L606-T749 HydrophobicContact CD2-CG2 4.33Å; L606-T749 HydrophobicContact CG-CG2 3.9Å; L718-T749 PolarHBondContact O-N 3.4Å; L718-T749 PolarHBondContact O-OG1 3.19Å; D719-T749 VanDerWaalsContact CA-OG1 3.28Å; D719-T749 WeakPolarHBondContact CA-OG1 3.41Å; D719-T749 PolarHBondContact OD1-OG1 3.3Å; E720-T749 WeakPolarHBondContact CA-O 3.49Å; E720-T749 PolarHBondContact N-O 3.36Å; E720-T749 PolarHBondContact N-OG1 2.85Å; E720-T749 VanDerWaalsContact N-OG1 3.07Å; P721-T749 WeakPolarHBondContact CD-O 3.38Å |
| 750 | T | 86.5 | Confident | 86.1 | Confident | 2 Ų | 2 | 27.6 Ų | 27.6 | 1% | 0.012 | 13% | 0.132 | C | C | . | . | trans | -143.9 | 155.3 | 171.8 | -174.5 | 0 | 0 | 0 | 0 | 111.3 | V593 L595 Y752 E755 A756 | V593-T750 HydrophobicContact CG1-CG2 3.65Å; L595-T750 HydrophobicContact CD2-CG2 3.88Å; L595-T750 VanDerWaalsContact CD2-O 3.25Å; L595-T750 WeakPolarHBondContact CD2-O 3.49Å; T750-Y752 WeakPolarHBondContact CG2-O 3.39Å; T750-Y752 PolarHBondContact OG1-N 3.11Å; T750-E755 VanDerWaalsContact CB-OE2 3.31Å; T750-E755 WeakPolarHBondContact CB-OE2 3.41Å; T750-E755 HydrophobicContact CG2-CB 4.16Å; T750-E755 HydrophobicContact CG2-CG 4.11Å; T750-E755 PolarHBondContact OG1-OE2 3.45Å; T750-A756 HydrophobicContact CG2-CB 4.02Å | ||
| 751 | H | 76.8 | Confident | 86 | Confident | 17 Ų | 17 | 28.2 Ų | 28.2 | 8% | 0.079 | 14% | 0.135 | C | C | . | . | S | Bend | trans | -103.7 | -9.5 | 169.5 | -78.5 | -81.2 | 0 | 0 | 0 | 112.8 | N598 K602 E720 | N598-H751 PolarHBondContact OD1-CE1 3.09Å; N598-H751 PolarHBondContact OD1-NE2 2.99Å; K602-H751 WeakPolarHBondContact CE-NE2 3.33Å; K602-H751 PolarHBondContact NZ-CE1 2.88Å; K602-H751 PolarHBondContact NZ-NE2 3.38Å; K602-H751 VanDerWaalsContact NZ-NE2 3.19Å; E720-H751 VanDerWaalsContact CD-CD2 3.42Å; E720-H751 IonicContact OE1-CD2 3.14Å; E720-H751 PolarHBondContact OE1-CD2 3.46Å; E720-H751 IonicContact OE1-NE2 3.9Å; E720-H751 PolarHBondContact OE1-NE2 2.68Å; E720-H751 VanDerWaalsContact OE1-NE2 3.16Å |
| 752 | Y | 77.2 | Confident | 86 | Confident | 42 Ų | 42 | 28.1 Ų | 28.1 | 17% | 0.165 | 14% | 0.135 | C | C | . | . | trans | -89 | 115.7 | 175.6 | -65.8 | -71.5 | 0 | 0 | 0 | 108.7 | T750 D754 E755 A756 | T750-Y752 WeakPolarHBondContact CG2-O 3.39Å; T750-Y752 PolarHBondContact OG1-N 3.11Å; Y752-D754 VanDerWaalsContact C-N 3.3Å; Y752-E755 WeakPolarHBondContact O-CB 3.45Å; Y752-E755 PolarHBondContact O-N 2.93Å; Y752-A756 PolarHBondContact O-N 3.03Å | ||
| 753 | M | 79.5 | Confident | 86.5 | Confident | 1 Ų | 1 | 20.8 Ų | 20.8 | 1% | 0.005 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -73.2 | -29.5 | -178 | -63.4 | -55.8 | 160.8 | 0 | 0 | 111.7 | L595 E755 A756 D757 M862 E863 F866 P1627 | L595-M753 HydrophobicContact CD1-CE 4.21Å; L595-M753 HydrophobicContact CD1-SD 3.49Å; L595-M753 WeakPolarHBondContact CD1-SD 3.4Å; L595-M753 HydrophobicContact CD2-CE 3.91Å; L595-M753 HydrophobicContact CD2-SD 3.76Å; L595-M753 HydrophobicContact CG-CE 4.48Å; L595-M753 HydrophobicContact CG-SD 4.21Å; M753-E755 VanDerWaalsContact C-N 3.27Å; M753-E755 PolarHBondContact O-N 3.28Å; M753-A756 PolarHBondContact O-N 2.89Å; M753-D757 VanDerWaalsContact O-CB 3.31Å; M753-D757 WeakPolarHBondContact O-CB 3.32Å; M753-D757 PolarHBondContact O-N 2.73Å; M753-M862 HydrophobicContact CB-CB 4.11Å; M753-E863 HydrophobicContact CB-CG 3.54Å; M753-E863 HydrophobicContact CG-CB 4.36Å; M753-E863 HydrophobicContact CG-CG 3.62Å; M753-F866 HydrophobicContact CE-CB 4.48Å; M753-F866 HydrophobicContact CE-CD1 4.24Å; M753-F866 HydrophobicContact CE-CD2 4.07Å; M753-F866 HydrophobicContact CE-CE2 4.41Å; M753-F866 HydrophobicContact CE-CG 3.99Å; M753-P1627 HydrophobicContact CE-CB 4.42Å; M753-P1627 HydrophobicContact CE-CG 3.34Å; M753-P1627 HydrophobicContact CG-CG 4.5Å |
| 754 | D | 78.1 | Confident | 86.8 | Confident | 44 Ų | 44 | 14.4 Ų | 14.4 | 24% | 0.235 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.3 | -37.8 | 170.3 | -56.3 | -25.2 | 0 | 0 | 0 | 111.9 | Y752 H758 | Y752-D754 VanDerWaalsContact C-N 3.3Å; D754-H758 VanDerWaalsContact O-CB 3.24Å; D754-H758 WeakPolarHBondContact O-CB 3.48Å; D754-H758 PolarHBondContact O-N 3.3Å |
| 755 | E | 84.3 | Confident | 86.8 | Confident | 1 Ų | 1 | 14.2 Ų | 14.2 | 1% | 0.005 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -66.8 | -43.4 | 174.9 | 178.3 | 170 | -158.4 | 0 | 0 | 111.4 | T722 W734 T750 Y752 M753 D757 H758 L759 | T722-E755 WeakPolarHBondContact CG2-OE1 3.48Å; T722-E755 PolarHBondContact OG1-OE1 3.07Å; T722-E755 PolarHBondContact OG1-OE2 2.74Å; W734-E755 HydrophobicContact CZ2-CB 3.62Å; W734-E755 HydrophobicContact CZ2-CG 4.08Å; W734-E755 PolarHBondContact NE1-OE1 2.88Å; T750-E755 VanDerWaalsContact CB-OE2 3.31Å; T750-E755 WeakPolarHBondContact CB-OE2 3.41Å; T750-E755 HydrophobicContact CG2-CB 4.16Å; T750-E755 HydrophobicContact CG2-CG 4.11Å; T750-E755 PolarHBondContact OG1-OE2 3.45Å; Y752-E755 WeakPolarHBondContact O-CB 3.45Å; Y752-E755 PolarHBondContact O-N 2.93Å; M753-E755 VanDerWaalsContact C-N 3.27Å; M753-E755 PolarHBondContact O-N 3.28Å; E755-D757 VanDerWaalsContact C-N 3.32Å; E755-H758 PolarHBondContact O-N 3.05Å; E755-L759 HydrophobicContact CG-CD1 3.67Å; E755-L759 HydrophobicContact CG-CG 4.28Å; E755-L759 VanDerWaalsContact O-CB 3.29Å; E755-L759 WeakPolarHBondContact O-CB 3.33Å; E755-L759 PolarHBondContact O-N 2.93Å |
| 756 | A | 87 | Confident | 86.5 | Confident | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -64.6 | -39.9 | 178 | 0 | 0 | 0 | 0 | 0 | 112 | V593 L595 T750 Y752 M753 G760 I763 | V593-A756 HydrophobicContact CB-CB 4.42Å; V593-A756 HydrophobicContact CG1-CB 3.7Å; L595-A756 HydrophobicContact CD1-CB 3.93Å; L595-A756 HydrophobicContact CD2-CB 3.87Å; L595-A756 HydrophobicContact CG-CB 4.2Å; T750-A756 HydrophobicContact CG2-CB 4.02Å; Y752-A756 PolarHBondContact O-N 3.03Å; M753-A756 PolarHBondContact O-N 2.89Å; A756-G760 VanDerWaalsContact O-CA 3.31Å; A756-G760 WeakPolarHBondContact O-CA 3.1Å; A756-G760 PolarHBondContact O-N 2.77Å; A756-I763 HydrophobicContact CB-CD1 4.1Å |
| 757 | D | 83.8 | Confident | 85.9 | Confident | 55 Ų | 55 | 15 Ų | 15 | 29% | 0.294 | 8% | 0.076 | S | C | . | . | H | α-helix | trans | -69.1 | -32.9 | 178 | -166.2 | 39.9 | 0 | 0 | 0 | 112.3 | M753 E755 P777 K781 M862 | M753-D757 VanDerWaalsContact O-CB 3.31Å; M753-D757 WeakPolarHBondContact O-CB 3.32Å; M753-D757 PolarHBondContact O-N 2.73Å; E755-D757 VanDerWaalsContact C-N 3.32Å; D757-P777 WeakPolarHBondContact OD1-CB 3.29Å; D757-K781 WeakPolarHBondContact OD1-CE 3.21Å; D757-K781 IonicContact OD1-NZ 3.38Å; D757-K781 PolarHBondContact OD1-NZ 3.3Å; D757-K781 IonicContact OD2-NZ 2.7Å; D757-K781 PolarHBondContact OD2-NZ 3.41Å; D757-M862 HydrophobicContact CB-CB 4.36Å |
| 758 | H | 82.6 | Confident | 84.9 | Confident | 73 Ų | 73 | 17.5 Ų | 17.5 | 34% | 0.338 | 10% | 0.102 | S | C | . | . | H | α-helix | trans | -87.2 | -36.2 | -179.6 | -168.4 | 64.9 | 0 | 0 | 0 | 114.2 | W734 Q738 D754 E755 | W734-H758 AromaticContact CD2-CD2 3.96Å; W734-H758 HydrophobicContact CE3-CB 4.4Å; W734-H758 AromaticContact CE3-CD2 3.26Å; W734-H758 AromaticContact CE3-CG 4Å; W734-H758 AromaticContact CE3-NE2 3.96Å; W734-H758 HydrophobicContact CZ3-CB 4.17Å; W734-H758 AromaticContact CZ3-CD2 3.75Å; Q738-H758 PolarHBondContact NE2-CD2 2.94Å; Q738-H758 PolarHBondContact NE2-NE2 3.21Å; D754-H758 VanDerWaalsContact O-CB 3.24Å; D754-H758 WeakPolarHBondContact O-CB 3.48Å; D754-H758 PolarHBondContact O-N 3.3Å; E755-H758 PolarHBondContact O-N 3.05Å |
| 759 | L | 85.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 17.5 Ų | 17.5 | 2% | 0.021 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -96.6 | -29.8 | -177.8 | -67.8 | -178.5 | 0 | 0 | 0 | 113.8 | I591 W734 L737 Q738 E755 D761 | I591-L759 VanDerWaalsContact CB-O 3.3Å; I591-L759 WeakPolarHBondContact CB-O 3.41Å; I591-L759 HydrophobicContact CD1-CD2 4.49Å; I591-L759 HydrophobicContact CG2-CB 4.35Å; W734-L759 HydrophobicContact CB-CD2 3.84Å; W734-L759 HydrophobicContact CB-CG 4.5Å; W734-L759 HydrophobicContact CG-CD1 4.21Å; W734-L759 HydrophobicContact CG-CD2 4.08Å; W734-L759 HydrophobicContact CG-CG 4.2Å; L737-L759 HydrophobicContact CB-CD2 4.49Å; L737-L759 HydrophobicContact CD1-CD1 3.91Å; Q738-L759 HydrophobicContact CG-CD2 3.81Å; E755-L759 HydrophobicContact CG-CD1 3.67Å; E755-L759 HydrophobicContact CG-CG 4.28Å; E755-L759 VanDerWaalsContact O-CB 3.29Å; E755-L759 WeakPolarHBondContact O-CB 3.33Å; E755-L759 PolarHBondContact O-N 2.93Å; L759-D761 PolarHBondContact O-N 2.93Å |
| 760 | G | 86.3 | Confident | 83.9 | Confident | 6 Ų | 6 | 21.5 Ų | 21.5 | 6% | 0.062 | 12% | 0.121 | C | C | . | . | trans | -80.6 | 113.7 | -166.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A756 P777 | A756-G760 VanDerWaalsContact O-CA 3.31Å; A756-G760 WeakPolarHBondContact O-CA 3.1Å; A756-G760 PolarHBondContact O-N 2.77Å; G760-P777 VanDerWaalsContact O-CD 3.23Å; G760-P777 WeakPolarHBondContact O-CD 3.32Å; G760-P777 WeakPolarHBondContact O-CG 3.27Å | ||
| 761 | D | 86.6 | Confident | 83.9 | Confident | 29 Ų | 29 | 22.9 Ų | 22.9 | 16% | 0.155 | 13% | 0.128 | C | C | . | . | S | Bend | trans | -72.8 | -36.5 | 165.9 | -55.4 | -60.9 | 0 | 0 | 0 | 110 | Q590 I591 R741 L759 H1760 | Q590-D761 WeakPolarHBondContact CA-OD2 3.5Å; Q590-D761 HydrophobicContact CB-CB 4.33Å; Q590-D761 HydrophobicContact CG-CB 4.35Å; I591-D761 PolarHBondContact N-OD2 3.36Å; I591-D761 PolarHBondContact O-N 3.19Å; R741-D761 WeakPolarHBondContact CD-OD2 3.41Å; R741-D761 IonicContact CZ-OD1 3.46Å; R741-D761 IonicContact NH1-OD1 2.86Å; R741-D761 PolarHBondContact NH1-OD1 3.37Å; R741-D761 IonicContact NH1-OD2 3.69Å; L759-D761 PolarHBondContact O-N 2.93Å; D761-H1760 IonicContact OD1-CD2 3.16Å; D761-H1760 PolarHBondContact OD1-CD2 3.02Å; D761-H1760 VanDerWaalsContact OD1-CD2 3.31Å; D761-H1760 IonicContact OD1-NE2 3.31Å |
| 762 | R | 88.6 | Confident | 84.4 | Confident | 19 Ų | 19 | 25.2 Ų | 25.2 | 7% | 0.072 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 136.9 | 166.8 | -80.3 | -178.6 | 75.6 | 163.2 | 5.5 | 110.6 | I591 T592 V593 C774 | I591-R762 PolarHBondContact O-N 3.04Å; T592-R762 CarbonylContact C-O 3.57Å; T592-R762 WeakPolarHBondContact CA-O 3.34Å; V593-R762 PolarHBondContact N-O 3.45Å; R762-C774 PolarHBondContact NH2-SG 2.87Å |
| 763 | I | 91.3 | Very high | 84.9 | Confident | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 124.8 | 175.2 | -62.3 | 179.8 | 0 | 0 | 0 | 108.5 | V593 L595 A756 I765 C774 G775 P777 L780 M862 | V593-I763 HydrophobicContact CB-CG1 4.47Å; V593-I763 WeakPolarHBondContact O-CA 3.35Å; L595-I763 HydrophobicContact CD1-CG2 3.37Å; L595-I763 HydrophobicContact CG-CG2 3.91Å; A756-I763 HydrophobicContact CB-CD1 4.1Å; I763-I765 HydrophobicContact CG2-CG1 4.15Å; I763-C774 VanDerWaalsContact O-CA 3.29Å; I763-C774 WeakPolarHBondContact O-CA 3.28Å; I763-G775 PolarHBondContact N-O 3.3Å; I763-G775 PolarHBondContact O-N 3.07Å; I763-P777 HydrophobicContact CD1-CB 4.06Å; I763-P777 HydrophobicContact CD1-CG 3.79Å; I763-P777 HydrophobicContact CG1-CG 4.28Å; I763-L780 HydrophobicContact CB-CD1 3.79Å; I763-L780 HydrophobicContact CG2-CD1 3.98Å; I763-M862 HydrophobicContact CD1-CE 4.01Å; I763-M862 HydrophobicContact CD1-CG 4.18Å; I763-M862 HydrophobicContact CD1-SD 4.18Å |
| 764 | A | 90.9 | Very high | 85.3 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 125.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 109.5 | M584 V593 L594 L595 L771 | M584-A764 HydrophobicContact CE-CB 4.12Å; V593-A764 PolarHBondContact O-N 2.9Å; L594-A764 HydrophobicContact CD1-CB 3.91Å; L595-A764 PolarHBondContact N-O 3.41Å; A764-L771 HydrophobicContact CB-CD1 3.76Å |
| 765 | I | 90 | Very high | 85.7 | Confident | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 12% | 0.12 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | 119.1 | 180 | -57.7 | -177.4 | 0 | 0 | 0 | 110.1 | L595 I763 K772 C773 V865 F866 V869 | L595-I765 HydrophobicContact CB-CG1 4.24Å; L595-I765 HydrophobicContact CD1-CG1 4.43Å; I763-I765 HydrophobicContact CG2-CG1 4.15Å; I765-K772 PolarHBondContact O-N 3.11Å; I765-C773 PolarHBondContact N-O 2.91Å; I765-V865 HydrophobicContact CD1-CG1 4.5Å; I765-F866 HydrophobicContact CD1-CD2 4.25Å; I765-F866 HydrophobicContact CG2-CD2 3.8Å; I765-F866 HydrophobicContact CG2-CE2 3.76Å; I765-V869 HydrophobicContact CG2-CG1 4.14Å |
| 766 | M | 86.5 | Confident | 85.7 | Confident | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.123 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 134.6 | -179.8 | -148.7 | 165.5 | 92.9 | 0 | 0 | 111.2 | L582 L594 L595 G596 A600 G601 E770 | L582-M766 HydrophobicContact CD1-SD 4.06Å; L582-M766 HydrophobicContact CD2-SD 4.11Å; L594-M766 HydrophobicContact CD1-CB 4.28Å; L594-M766 HydrophobicContact CD1-SD 4.37Å; L595-M766 PolarHBondContact O-N 3.08Å; G596-M766 WeakPolarHBondContact CA-O 3.46Å; A600-M766 WeakPolarHBondContact O-CE 3.42Å; G601-M766 VanDerWaalsContact CA-CE 3.43Å; M766-E770 CarbonylContact C-O 3.32Å; M766-E770 VanDerWaalsContact CA-O 3.32Å; M766-E770 WeakPolarHBondContact CA-O 3.44Å; M766-E770 WeakPolarHBondContact CG-O 3.36Å |
| 767 | S | 81.9 | Confident | 85.5 | Confident | 17 Ų | 17 | 22.6 Ų | 22.6 | 12% | 0.119 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.5 | 132.1 | 177.2 | -167.7 | 0 | 0 | 0 | 0 | 110.1 | H597 G769 E770 | H597-S767 PolarHBondContact CD2-OG 3.25Å; H597-S767 PolarHBondContact NE2-OG 3.22Å; S767-G769 PolarHBondContact O-N 3.16Å; S767-E770 PolarHBondContact N-O 3.3Å; S767-E770 PolarHBondContact O-N 3.39Å |
| 768 | G | 73.7 | Confident | 85.3 | Confident | 54 Ų | 54 | 21.2 Ų | 21.2 | 56% | 0.557 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 67.1 | 16 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | H597 | H597-G768 PolarHBondContact NE2-N 3.12Š|
| 769 | G | 79.2 | Confident | 85.3 | Confident | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 95.7 | -6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | S580 A600 S767 | S580-G769 PolarHBondContact N-O 3.21Å; S580-G769 PolarHBondContact OG-O 2.81Å; A600-G769 VanDerWaalsContact O-CA 3.32Å; A600-G769 WeakPolarHBondContact O-CA 3.34Å; A600-G769 PolarHBondContact O-N 3.29Å; S767-G769 PolarHBondContact O-N 3.16Å |
| 770 | E | 84.8 | Confident | 85.2 | Confident | 85 Ų | 85 | 20 Ų | 20 | 40% | 0.397 | 12% | 0.115 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 150.8 | -177.2 | -59.3 | 177.6 | 169.2 | 0 | 0 | 112.1 | S580 M766 S767 K772 | S580-E770 WeakPolarHBondContact OG-CG 3.49Å; M766-E770 CarbonylContact C-O 3.32Å; M766-E770 VanDerWaalsContact CA-O 3.32Å; M766-E770 WeakPolarHBondContact CA-O 3.44Å; M766-E770 WeakPolarHBondContact CG-O 3.36Å; S767-E770 PolarHBondContact N-O 3.3Å; S767-E770 PolarHBondContact O-N 3.39Å; E770-K772 IonicContact OE2-NZ 3.8Å; E770-K772 PolarHBondContact OE2-NZ 3.11Å |
| 771 | L | 88 | Confident | 84.9 | Confident | 31 Ų | 31 | 21.2 Ų | 21.2 | 16% | 0.162 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 128.1 | 172.2 | -174.1 | 66.3 | 0 | 0 | 0 | 110.3 | F549 L582 M584 A764 | F549-L771 HydrophobicContact CE1-CD2 3.77Å; F549-L771 HydrophobicContact CE1-CG 4.05Å; F549-L771 HydrophobicContact CZ-CD2 4.39Å; F549-L771 HydrophobicContact CZ-CG 4.28Å; L582-L771 HydrophobicContact CD1-CB 3.73Å; L582-L771 HydrophobicContact CD1-CD2 4.49Å; M584-L771 HydrophobicContact CB-CD2 4.11Å; A764-L771 HydrophobicContact CB-CD1 3.76Å |
| 772 | K | 86.3 | Confident | 84.4 | Confident | 66 Ų | 66 | 22.2 Ų | 22.2 | 29% | 0.287 | 13% | 0.13 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | -39.2 | -176 | -63.8 | -60.5 | 175.2 | -166 | 0 | 114 | I765 E770 V869 T873 | I765-K772 PolarHBondContact O-N 3.11Å; E770-K772 IonicContact OE2-NZ 3.8Å; E770-K772 PolarHBondContact OE2-NZ 3.11Å; K772-V869 HydrophobicContact CB-CG1 4.26Å; K772-T873 HydrophobicContact CD-CG2 4.23Å; K772-T873 HydrophobicContact CG-CG2 4.41Å |
| 773 | C | 87.6 | Confident | 84 | Confident | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.5 | 154.8 | 175.4 | 61.8 | 0 | 0 | 0 | 0 | 110.2 | Y548 I765 L780 Y784 | Y548-C773 VanDerWaalsContact O-CB 3.3Å; Y548-C773 WeakPolarHBondContact O-CB 3.39Å; I765-C773 PolarHBondContact N-O 2.91Å; C773-L780 HydrophobicContact CB-CD2 4.35Å; C773-Y784 HydrophobicContact CB-CE2 4.34Å |
| 774 | C | 88.7 | Confident | 83.3 | Confident | 4 Ų | 4 | 25.6 Ų | 25.6 | 3% | 0.027 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.2 | 128.9 | 178.1 | -172.4 | 0 | 0 | 0 | 0 | 110.2 | Y548 F549 E550 R762 I763 | Y548-C774 PolarHBondContact O-N 3.22Å; F549-C774 WeakPolarHBondContact CA-O 3.31Å; F549-C774 HydrophobicContact CD1-CB 3.72Å; F549-C774 HydrophobicContact CE1-CB 3.95Å; E550-C774 PolarHBondContact N-O 2.79Å; R762-C774 PolarHBondContact NH2-SG 2.87Å; I763-C774 VanDerWaalsContact O-CA 3.29Å; I763-C774 WeakPolarHBondContact O-CA 3.28Å |
| 775 | G | 87.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 26.3 Ų | 26.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170.5 | -178.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E550 I763 | E550-G775 VanDerWaalsContact OE2-CA 3.31Å; E550-G775 WeakPolarHBondContact OE2-CA 3.4Å; I763-G775 PolarHBondContact N-O 3.3Å; I763-G775 PolarHBondContact O-N 3.07Å |
| 776 | S | 83.7 | Confident | 81.2 | Confident | 11 Ų | 11 | 27.6 Ų | 27.6 | 8% | 0.077 | 16% | 0.164 | C | C | . | . | trans | -68.6 | 153.4 | -178.4 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | E550 L778 F779 L780 | E550-S776 PolarHBondContact OE1-OG 3.07Å; E550-S776 WeakPolarHBondContact OE2-CB 3.28Å; E550-S776 PolarHBondContact OE2-N 3.34Å; E550-S776 PolarHBondContact OE2-OG 3.39Å; S776-L778 VanDerWaalsContact C-N 3.29Å; S776-L778 PolarHBondContact O-N 3.36Å; S776-F779 WeakPolarHBondContact O-CB 3.41Å; S776-F779 PolarHBondContact O-N 2.96Å; S776-F779 VanDerWaalsContact O-N 3.14Å; S776-F779 VanDerWaalsContact OG-CB 3.23Å; S776-F779 WeakPolarHBondContact OG-CB 3.33Å; S776-F779 PolarHBondContact OG-N 2.82Å; S776-L780 WeakPolarHBondContact O-CG 3.29Å; S776-L780 PolarHBondContact O-N 2.89Å | ||
| 777 | P | 83 | Confident | 80.8 | Confident | 18 Ų | 18 | 27.6 Ų | 27.6 | 12% | 0.117 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.4 | -40.2 | -178.6 | -21.8 | 28.9 | 0 | 0 | 0 | 113.3 | D757 G760 I763 K781 M862 | D757-P777 WeakPolarHBondContact OD1-CB 3.29Å; G760-P777 VanDerWaalsContact O-CD 3.23Å; G760-P777 WeakPolarHBondContact O-CD 3.32Å; G760-P777 WeakPolarHBondContact O-CG 3.27Å; I763-P777 HydrophobicContact CD1-CB 4.06Å; I763-P777 HydrophobicContact CD1-CG 3.79Å; I763-P777 HydrophobicContact CG1-CG 4.28Å; P777-K781 WeakPolarHBondContact O-CB 3.23Å; P777-K781 WeakPolarHBondContact O-CG 3.5Å; P777-K781 PolarHBondContact O-N 3.1Å; P777-M862 HydrophobicContact CB-CE 3.77Å; P777-M862 WeakPolarHBondContact O-CE 3.3Å |
| 778 | L | 79.3 | Confident | 80.9 | Confident | 26 Ų | 26 | 27.1 Ų | 27.1 | 14% | 0.136 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -66.5 | -41.9 | 176.3 | -95.3 | 135.8 | 0 | 0 | 0 | 112.3 | S776 K781 A782 Q1694 V1763 N1796 | S776-L778 VanDerWaalsContact C-N 3.29Å; S776-L778 PolarHBondContact O-N 3.36Å; L778-K781 PolarHBondContact O-N 3.22Å; L778-A782 WeakPolarHBondContact O-CB 3.48Å; L778-A782 PolarHBondContact O-N 3.19Å; L778-Q1694 HydrophobicContact CD1-CB 4.2Å; L778-V1763 HydrophobicContact CD1-CG1 4.12Å; L778-N1796 HydrophobicContact CD2-CB 3.98Å |
| 779 | F | 82.1 | Confident | 81.3 | Confident | 51 Ų | 51 | 25.5 Ų | 25.5 | 22% | 0.224 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60 | -49.4 | 175.3 | 170.1 | -101.3 | 0 | 0 | 0 | 111.2 | E550 S776 K781 A782 K783 | E550-F779 HydrophobicContact CB-CD1 4.08Å; E550-F779 HydrophobicContact CB-CE1 4.11Å; E550-F779 HydrophobicContact CB-CG 4.4Å; E550-F779 HydrophobicContact CB-CZ 4.46Å; E550-F779 HydrophobicContact CG-CG 4.49Å; S776-F779 WeakPolarHBondContact O-CB 3.41Å; S776-F779 PolarHBondContact O-N 2.96Å; S776-F779 VanDerWaalsContact O-N 3.14Å; S776-F779 VanDerWaalsContact OG-CB 3.23Å; S776-F779 WeakPolarHBondContact OG-CB 3.33Å; S776-F779 PolarHBondContact OG-N 2.82Å; F779-K781 PolarHBondContact O-N 3.1Å; F779-A782 PolarHBondContact O-N 2.84Å; F779-K783 HydrophobicContact CE1-CD 4.47Å; F779-K783 HydrophobicContact CE2-CD 4.28Å; F779-K783 HydrophobicContact CZ-CD 3.91Å; F779-K783 WeakPolarHBondContact O-CB 3.5Å; F779-K783 PolarHBondContact O-N 3.26Å |
| 780 | L | 83.6 | Confident | 81.7 | Confident | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -66.1 | -39.7 | -179 | -66.7 | 177.9 | 0 | 0 | 0 | 112.3 | I763 C773 S776 K783 Y784 M862 V865 | I763-L780 HydrophobicContact CB-CD1 3.79Å; I763-L780 HydrophobicContact CG2-CD1 3.98Å; C773-L780 HydrophobicContact CB-CD2 4.35Å; S776-L780 WeakPolarHBondContact O-CG 3.29Å; S776-L780 PolarHBondContact O-N 2.89Å; L780-K783 PolarHBondContact O-N 3.25Å; L780-Y784 HydrophobicContact CD2-CD2 4.34Å; L780-Y784 HydrophobicContact CD2-CE2 4.19Å; L780-Y784 PolarHBondContact O-N 3.4Å; L780-M862 HydrophobicContact CB-CE 4.46Å; L780-M862 HydrophobicContact CB-SD 4.34Å; L780-V865 HydrophobicContact CB-CG1 4.2Å |
| 781 | K | 80.8 | Confident | 81.7 | Confident | 32 Ų | 32 | 21.5 Ų | 21.5 | 14% | 0.139 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.1 | -37.8 | 174.2 | -80.8 | 169.2 | 170.2 | 169.9 | 0 | 113 | D757 P777 L778 F779 K783 G785 T860 M862 V865 | D757-K781 WeakPolarHBondContact OD1-CE 3.21Å; D757-K781 IonicContact OD1-NZ 3.38Å; D757-K781 PolarHBondContact OD1-NZ 3.3Å; D757-K781 IonicContact OD2-NZ 2.7Å; D757-K781 PolarHBondContact OD2-NZ 3.41Å; P777-K781 WeakPolarHBondContact O-CB 3.23Å; P777-K781 WeakPolarHBondContact O-CG 3.5Å; P777-K781 PolarHBondContact O-N 3.1Å; L778-K781 PolarHBondContact O-N 3.22Å; F779-K781 PolarHBondContact O-N 3.1Å; K781-K783 VanDerWaalsContact C-N 3.32Å; K781-G785 WeakPolarHBondContact O-CA 3.47Å; K781-G785 PolarHBondContact O-N 3.45Å; K781-T860 WeakPolarHBondContact CE-O 3.41Å; K781-M862 HydrophobicContact CD-CE 4.06Å; K781-M862 HydrophobicContact CG-CE 3.73Å; K781-V865 HydrophobicContact CG-CG2 4.16Å |
| 782 | A | 76.1 | Confident | 81.7 | Confident | 49 Ų | 49 | 20 Ų | 20 | 41% | 0.405 | 11% | 0.112 | S | C | . | . | H | α-helix | trans | -68.9 | -35.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L778 F779 N1796 | L778-A782 WeakPolarHBondContact O-CB 3.48Å; L778-A782 PolarHBondContact O-N 3.19Å; F779-A782 PolarHBondContact O-N 2.84Å; A782-N1796 WeakPolarHBondContact CB-ND2 3.02Å |
| 783 | K | 78.8 | Confident | 81.4 | Confident | 77 Ų | 77 | 17 Ų | 17 | 34% | 0.335 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -82 | -40.1 | -175.4 | -165.8 | 143.9 | -166.6 | 148.8 | 0 | 114.3 | E547 Y548 F779 L780 K781 | E547-K783 WeakPolarHBondContact O-CE 3.47Å; E547-K783 PolarHBondContact O-NZ 3.04Å; E547-K783 IonicContact OE1-NZ 3.7Å; E547-K783 PolarHBondContact OE1-NZ 3.39Å; Y548-K783 HydrophobicContact CD1-CD 4.36Å; F779-K783 HydrophobicContact CE1-CD 4.47Å; F779-K783 HydrophobicContact CE2-CD 4.28Å; F779-K783 HydrophobicContact CZ-CD 3.91Å; F779-K783 WeakPolarHBondContact O-CB 3.5Å; F779-K783 PolarHBondContact O-N 3.26Å; L780-K783 PolarHBondContact O-N 3.25Å; K781-K783 VanDerWaalsContact C-N 3.32Å |
| 784 | Y | 77.2 | Confident | 81.3 | Confident | 13 Ų | 13 | 17.8 Ų | 17.8 | 5% | 0.051 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -115.6 | 0.3 | -176.7 | -64.8 | -78.6 | 0 | 0 | 0 | 113.7 | Y548 C773 L780 V865 Q868 V869 | Y548-Y784 WeakPolarHBondContact CB-OH 3.34Å; Y548-Y784 HydrophobicContact CD1-CE1 4.1Å; Y548-Y784 HydrophobicContact CD1-CE2 4.15Å; Y548-Y784 AromaticContact CD1-CZ 3.48Å; Y548-Y784 VanDerWaalsContact CD1-CZ 3.48Å; Y548-Y784 WeakPolarHBondContact CD1-OH 3.46Å; Y548-Y784 HydrophobicContact CE1-CE1 4.12Å; Y548-Y784 AromaticContact CE1-CZ 3.96Å; C773-Y784 HydrophobicContact CB-CE2 4.34Å; L780-Y784 HydrophobicContact CD2-CD2 4.34Å; L780-Y784 HydrophobicContact CD2-CE2 4.19Å; L780-Y784 PolarHBondContact O-N 3.4Å; Y784-V865 HydrophobicContact CD2-CG1 4.05Å; Y784-V865 HydrophobicContact CG-CG1 4.17Å; Y784-Q868 PolarHBondContact O-NE2 2.81Å; Y784-Q868 PolarHBondContact O-OE1 3.01Å; Y784-V869 HydrophobicContact CD1-CG2 3.85Å; Y784-V869 HydrophobicContact CD2-CG2 4.1Å; Y784-V869 HydrophobicContact CE1-CG2 3.72Å; Y784-V869 HydrophobicContact CE2-CG2 3.99Å; Y784-V869 HydrophobicContact CG-CG2 4.01Å |
| 785 | G | 67.8 | Low | 80.8 | Confident | 16 Ų | 16 | 22.2 Ų | 22.2 | 17% | 0.165 | 12% | 0.123 | C | C | . | . | trans | -72 | 146.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K781 | K781-G785 WeakPolarHBondContact O-CA 3.47Å; K781-G785 PolarHBondContact O-N 3.45Å | ||
| 786 | A | 68.7 | Low | 80.1 | Confident | 29 Ų | 29 | 27.6 Ų | 27.6 | 24% | 0.24 | 16% | 0.16 | C | C | . | . | trans | -90.9 | -10.8 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | L827 T860 E864 | A786-L827 HydrophobicContact CB-CD2 3.66Å; A786-L827 VanDerWaalsContact O-CD2 3.27Å; A786-L827 WeakPolarHBondContact O-CD2 3.23Å; A786-T860 HydrophobicContact CB-CG2 3.9Å; A786-E864 HydrophobicContact CB-CG 4.36Å | ||
| 787 | G | 78.3 | Confident | 79.6 | Confident | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 19% | 0.191 | C | C | . | . | trans | 138.8 | -162.8 | -175.7 | 0 | 0 | 0 | 0 | 0 | 116.4 | L828 T860 | G787-L828 CarbonylContact C-O 3.45Å; G787-L828 WeakPolarHBondContact CA-O 3.34Å; G787-T860 WeakPolarHBondContact O-CG2 3.42Å; G787-T860 PolarHBondContact O-N 3.24Å; G787-T860 VanDerWaalsContact O-N 3.09Å; G787-T860 PolarHBondContact O-OG1 2.97Å | ||
| 788 | Y | 84 | Confident | 79 | Confident | 6 Ų | 6 | 32.6 Ų | 32.6 | 2% | 0.024 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.9 | 142.2 | 164.9 | -80.6 | -100 | 0 | 0 | 0 | 110 | L827 L828 L830 I833 F836 V857 S858 V859 F1782 S1798 I1799 | Y788-L827 CarbonylContact O-C 3.52Å; Y788-L828 PolarHBondContact N-O 3.33Å; Y788-L828 PolarHBondContact O-N 3.27Å; Y788-L830 HydrophobicContact CD2-CD2 4.2Å; Y788-L830 HydrophobicContact CE2-CD2 4.16Å; Y788-I833 HydrophobicContact CE2-CD1 4.41Å; Y788-I833 HydrophobicContact CE2-CG1 4.44Å; Y788-F836 HydrophobicContact CD2-CD2 4.46Å; Y788-F836 AromaticContact CD2-CE2 3.55Å; Y788-F836 HydrophobicContact CD2-CE2 3.55Å; Y788-F836 HydrophobicContact CD2-CZ 4.34Å; Y788-F836 HydrophobicContact CE2-CE2 4.25Å; Y788-F836 AromaticContact CG-CE2 3.79Å; Y788-F836 HydrophobicContact CG-CE2 3.79Å; Y788-V857 HydrophobicContact CD1-CG1 3.51Å; Y788-V857 HydrophobicContact CE1-CG1 4.22Å; Y788-V857 HydrophobicContact CG-CG1 4.37Å; Y788-S858 CarbonylContact C-O 3.6Å; Y788-V859 HydrophobicContact CD1-CG2 3.86Å; Y788-V859 HydrophobicContact CE1-CB 4.41Å; Y788-V859 HydrophobicContact CE1-CG2 3.31Å; Y788-F1782 HydrophobicContact CD1-CZ 4.24Å; Y788-F1782 HydrophobicContact CE1-CE1 4.13Å; Y788-F1782 AromaticContact CE1-CZ 3.69Å; Y788-F1782 HydrophobicContact CE1-CZ 3.69Å; Y788-F1782 HydrophobicContact CE2-CE1 4.47Å; Y788-F1782 AromaticContact CZ-CE1 3.94Å; Y788-F1782 AromaticContact CZ-CZ 3.99Å; Y788-S1798 WeakPolarHBondContact OH-CA 3.3Å; Y788-I1799 WeakPolarHBondContact CE1-O 3.31Å; Y788-I1799 PolarHBondContact OH-N 3.1Å |
| 789 | L | 82.6 | Confident | 78.9 | Confident | 20 Ų | 20 | 34.8 Ų | 34.8 | 11% | 0.105 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 116.8 | 175.4 | -164.5 | 78.6 | 0 | 0 | 0 | 109.3 | R817 R825 I826 L827 S858 | L789-R817 HydrophobicContact CD1-CB 4.29Å; L789-R825 HydrophobicContact CD1-CB 4.38Å; L789-R825 HydrophobicContact CG-CB 4.43Å; L789-I826 WeakPolarHBondContact CA-O 3.43Å; L789-L827 HydrophobicContact CB-CD1 4.39Å; L789-L827 HydrophobicContact CD1-CB 4.45Å; L789-L827 HydrophobicContact CD1-CD1 3.75Å; L789-S858 PolarHBondContact N-O 3.09Å; L789-S858 PolarHBondContact O-N 3.25Å; L789-S858 PolarHBondContact O-OG 3.46Å |
| 790 | L | 87.4 | Confident | 78.7 | Confident | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.8 | 119.7 | 173.6 | 173 | 59.5 | 0 | 0 | 0 | 109.2 | I792 V807 R825 I826 L828 L839 F840 L843 F855 V857 | L790-I792 HydrophobicContact CD1-CG1 4.21Å; L790-I792 HydrophobicContact CD2-CD1 4.07Å; L790-I792 HydrophobicContact CD2-CG1 4.47Å; L790-I792 HydrophobicContact CG-CD1 4.15Å; L790-I792 HydrophobicContact CG-CG1 4.02Å; L790-V807 HydrophobicContact CD2-CG1 4.43Å; L790-V807 HydrophobicContact CD2-CG2 4.19Å; L790-R825 CarbonylContact O-C 3.5Å; L790-R825 VanDerWaalsContact O-CA 3.32Å; L790-R825 WeakPolarHBondContact O-CA 3.37Å; L790-I826 HydrophobicContact CB-CB 4.49Å; L790-I826 PolarHBondContact N-O 3.33Å; L790-I826 PolarHBondContact O-N 3.28Å; L790-L828 HydrophobicContact CB-CD1 4.04Å; L790-L828 HydrophobicContact CB-CG 4.32Å; L790-L828 HydrophobicContact CD2-CD1 4.45Å; L790-L839 HydrophobicContact CD2-CD2 4.47Å; L790-F840 HydrophobicContact CD1-CE1 4.13Å; L790-L843 HydrophobicContact CD2-CD1 3.91Å; L790-F855 HydrophobicContact CD1-CD2 4.25Å; L790-V857 HydrophobicContact CD1-CG2 3.96Å |
| 791 | S | 85.2 | Confident | 78.6 | Confident | 2 Ų | 2 | 41.5 Ų | 41.5 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 126.4 | 177.6 | -57.6 | 0 | 0 | 0 | 0 | 110.2 | I824 F855 G856 | S791-I824 CarbonylContact C-O 3.49Å; S791-I824 WeakPolarHBondContact CA-O 3.2Å; S791-F855 CarbonylContact O-C 3.5Å; S791-F855 WeakPolarHBondContact O-CA 3.36Å; S791-F855 WeakPolarHBondContact O-CB 3.38Å; S791-G856 PolarHBondContact N-O 3.22Å; S791-G856 PolarHBondContact O-N 2.92Å |
| 792 | I | 86.6 | Confident | 78.6 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.6 | 129.7 | -174.6 | -56.9 | 175.2 | 0 | 0 | 0 | 109 | L790 V803 V807 E823 I824 I826 I852 F855 | L790-I792 HydrophobicContact CD1-CG1 4.21Å; L790-I792 HydrophobicContact CD2-CD1 4.07Å; L790-I792 HydrophobicContact CD2-CG1 4.47Å; L790-I792 HydrophobicContact CG-CD1 4.15Å; L790-I792 HydrophobicContact CG-CG1 4.02Å; I792-V803 HydrophobicContact CD1-CG1 3.53Å; I792-V803 HydrophobicContact CG2-CG1 4.31Å; I792-V807 HydrophobicContact CD1-CG2 4.41Å; I792-E823 CarbonylContact O-C 3.33Å; I792-E823 WeakPolarHBondContact O-CA 3.23Å; I792-I824 PolarHBondContact N-O 3.08Å; I792-I824 PolarHBondContact O-N 3.42Å; I792-I826 HydrophobicContact CD1-CD1 4.34Å; I792-I852 HydrophobicContact CG2-CB 4.36Å; I792-I852 HydrophobicContact CG2-CD1 3.99Å; I792-I852 HydrophobicContact CG2-CG1 3.84Å; I792-I852 HydrophobicContact CG2-CG2 3.7Å; I792-F855 HydrophobicContact CB-CB 4.44Å; I792-F855 HydrophobicContact CG1-CB 4.01Å |
| 793 | V | 81.1 | Confident | 78.9 | Confident | 3 Ų | 3 | 44.6 Ų | 44.6 | 2% | 0.018 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 122 | 170.1 | -168.9 | 0 | 0 | 0 | 0 | 109.1 | E822 E823 I852 S853 S854 Q1679 | V793-E822 CarbonylContact C-O 3.57Å; V793-E822 WeakPolarHBondContact CA-O 3.46Å; V793-E822 HydrophobicContact CG1-CB 4.27Å; V793-E822 WeakPolarHBondContact CG1-O 3.42Å; V793-E823 HydrophobicContact CG2-CG 4.33Å; V793-I852 CarbonylContact O-C 3.55Å; V793-I852 WeakPolarHBondContact O-CA 3.28Å; V793-S853 WeakPolarHBondContact CB-OG 3.43Å; V793-S853 WeakPolarHBondContact CG1-OG 3.2Å; V793-S853 PolarHBondContact O-N 3.19Å; V793-S853 PolarHBondContact O-OG 2.74Å; V793-S853 VanDerWaalsContact O-OG 3.07Å; V793-S854 WeakPolarHBondContact CG2-OG 3.46Å; V793-S854 PolarHBondContact N-O 3.01Å; V793-Q1679 HydrophobicContact CG2-CB 3.38Å; V793-Q1679 HydrophobicContact CG2-CG 3.45Å; V793-Q1679 VanDerWaalsContact CG2-CG 3.45Å |
| 794 | K | 84.8 | Confident | 79.2 | Confident | 17 Ų | 17 | 42.2 Ų | 42.2 | 7% | 0.074 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 148.4 | 178.2 | 56.1 | 179.3 | 177.8 | -168.1 | 0 | 110.6 | C798 S800 D819 G821 E822 I824 | K794-C798 HydrophobicContact CB-CB 4.28Å; K794-S800 PolarHBondContact NZ-OG 3.39Å; K794-D819 IonicContact NZ-OD1 2.67Å; K794-D819 PolarHBondContact NZ-OD1 2.79Å; K794-D819 IonicContact NZ-OD2 3.37Å; K794-G821 WeakPolarHBondContact CE-O 3.29Å; K794-G821 PolarHBondContact NZ-O 2.68Å; K794-E822 WeakPolarHBondContact CG-O 3.44Å; K794-E822 PolarHBondContact N-O 3.3Å; K794-E822 WeakPolarHBondContact O-CB 3.4Å; K794-I824 HydrophobicContact CD-CD1 3.97Å; K794-I824 HydrophobicContact CD-CG1 4.26Å |
| 795 | Q | 79.2 | Confident | 79.5 | Confident | 97 Ų | 97 | 49.3 Ų | 49.3 | 45% | 0.453 | 27% | 0.272 | S | S | . | . | P | Polyproline II helix | trans | -67.9 | 150.8 | 168.8 | -66.2 | 178 | -5.4 | 0 | 0 | 110.2 | S797 C798 G851 | Q795-S797 PolarHBondContact O-N 3.01Å; Q795-C798 PolarHBondContact O-N 3.45Å; Q795-G851 PolarHBondContact N-O 3.1Å |
| 796 | S | 71 | Confident | 80.3 | Confident | 112 Ų | 112 | 51.4 Ų | 51.4 | 78% | 0.783 | 28% | 0.277 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55 | -16.5 | -178.6 | 31.6 | 0 | 0 | 0 | 0 | 115.2 | E822 | S796-E822 WeakPolarHBondContact CB-OE1 2.97Š|
| 797 | S | 73.7 | Confident | 81.1 | Confident | 105 Ų | 105 | 50 Ų | 50 | 73% | 0.734 | 27% | 0.266 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -7.1 | 176.7 | 52.9 | 0 | 0 | 0 | 0 | 115.4 | Q795 | Q795-S797 PolarHBondContact O-N 3.01Š|
| 798 | C | 71.7 | Confident | 81.6 | Confident | 29 Ų | 29 | 55 Ų | 55 | 20% | 0.196 | 29% | 0.287 | C | S | . | . | trans | -98.3 | 132.4 | -170.1 | -171 | 0 | 0 | 0 | 0 | 113.3 | K794 Q795 L850 | K794-C798 HydrophobicContact CB-CB 4.28Å; Q795-C798 PolarHBondContact O-N 3.45Å; C798-L850 PolarHBondContact SG-O 2.88Å | ||
| 799 | S | 75.9 | Confident | 81.8 | Confident | 73 Ų | 73 | 61.5 Ų | 61.5 | 51% | 0.51 | 32% | 0.318 | S | S | . | . | trans | -79.3 | 136.1 | 178.2 | 89.8 | 0 | 0 | 0 | 0 | 111.8 | E801 Y802 | S799-E801 VanDerWaalsContact C-N 3.3Å; S799-E801 PolarHBondContact O-N 3.35Å; S799-Y802 PolarHBondContact O-N 2.8Å | ||
| 800 | S | 77.9 | Confident | 82 | Confident | 29 Ų | 29 | 62.8 Ų | 62.8 | 20% | 0.203 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -28.1 | -177.9 | 19.1 | 0 | 0 | 0 | 0 | 114.3 | K794 Y802 L804 D819 | K794-S800 PolarHBondContact NZ-OG 3.39Å; S800-Y802 VanDerWaalsContact C-N 3.33Å; S800-Y802 PolarHBondContact O-N 3.38Å; S800-L804 PolarHBondContact O-N 3.25Å; S800-D819 WeakPolarHBondContact CB-OD2 3.47Å; S800-D819 PolarHBondContact OG-OD2 2.84Å |
| 801 | E | 81 | Confident | 82 | Confident | 162 Ų | 162 | 63 Ų | 63 | 76% | 0.757 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -62.8 | -38.1 | -179.6 | -90.6 | -174.8 | 148.5 | 0 | 0 | 112.9 | S799 L804 K805 | S799-E801 VanDerWaalsContact C-N 3.3Å; S799-E801 PolarHBondContact O-N 3.35Å; E801-L804 PolarHBondContact O-N 3.2Å; E801-K805 WeakPolarHBondContact O-CB 3.48Å; E801-K805 PolarHBondContact O-N 3.43Å |
| 802 | Y | 81.1 | Confident | 81.9 | Confident | 143 Ų | 143 | 67.3 Ų | 67.3 | 56% | 0.561 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -65.2 | -45 | -176.4 | -163.2 | -99 | 0 | 0 | 0 | 111.8 | S799 S800 K805 Q806 L850 | S799-Y802 PolarHBondContact O-N 2.8Å; S800-Y802 VanDerWaalsContact C-N 3.33Å; S800-Y802 PolarHBondContact O-N 3.38Å; Y802-K805 PolarHBondContact O-N 3.11Å; Y802-Q806 PolarHBondContact O-N 3.4Å; Y802-L850 HydrophobicContact CD1-CD2 4.04Å; Y802-L850 HydrophobicContact CE1-CD2 3.8Å |
| 803 | V | 83.1 | Confident | 81.7 | Confident | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.018 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 176.5 | 178.9 | 0 | 0 | 0 | 0 | 111 | I792 K805 Q806 V807 I824 I852 | I792-V803 HydrophobicContact CD1-CG1 3.53Å; I792-V803 HydrophobicContact CG2-CG1 4.31Å; V803-K805 VanDerWaalsContact C-N 3.33Å; V803-K805 PolarHBondContact O-N 3.38Å; V803-Q806 PolarHBondContact O-N 3.37Å; V803-V807 WeakPolarHBondContact O-CG2 3.43Å; V803-V807 PolarHBondContact O-N 3.5Å; V803-V807 VanDerWaalsContact O-N 3.13Å; V803-I824 HydrophobicContact CB-CD1 4.48Å; V803-I852 HydrophobicContact CG1-CD1 4.47Å; V803-I852 HydrophobicContact CG2-CG1 4.5Å |
| 804 | L | 84.3 | Confident | 81.8 | Confident | 27 Ų | 27 | 72.9 Ų | 72.9 | 14% | 0.141 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 178.7 | -114.6 | 148.6 | 0 | 0 | 0 | 112.9 | S800 E801 Q806 V807 K808 T816 I826 | S800-L804 PolarHBondContact O-N 3.25Å; E801-L804 PolarHBondContact O-N 3.2Å; L804-Q806 VanDerWaalsContact C-N 3.31Å; L804-Q806 PolarHBondContact O-N 2.92Å; L804-V807 PolarHBondContact O-N 3.39Å; L804-K808 HydrophobicContact CD2-CD 4.44Å; L804-K808 WeakPolarHBondContact O-CB 3.49Å; L804-K808 WeakPolarHBondContact O-CG 3.45Å; L804-K808 PolarHBondContact O-N 2.78Å; L804-T816 HydrophobicContact CD1-CG2 3.78Å; L804-T816 WeakPolarHBondContact CD1-OG1 3.28Å; L804-T816 VanDerWaalsContact CD2-OG1 3.28Å; L804-T816 WeakPolarHBondContact CD2-OG1 3.22Å; L804-I826 HydrophobicContact CG-CD1 4.4Å |
| 805 | K | 84.3 | Confident | 81.6 | Confident | 163 Ų | 163 | 77.4 Ų | 77.4 | 71% | 0.709 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -63.3 | -39.8 | 178.2 | -151 | 177.3 | -173.3 | -179.6 | 0 | 111.2 | E801 Y802 V803 H809 | E801-K805 WeakPolarHBondContact O-CB 3.48Å; E801-K805 PolarHBondContact O-N 3.43Å; Y802-K805 PolarHBondContact O-N 3.11Å; V803-K805 VanDerWaalsContact C-N 3.33Å; V803-K805 PolarHBondContact O-N 3.38Å; K805-H809 PolarHBondContact O-N 3.17Å; K805-H809 VanDerWaalsContact O-N 3.15Å |
| 806 | Q | 83.9 | Confident | 81.5 | Confident | 59 Ų | 59 | 75.5 Ų | 75.5 | 28% | 0.276 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.9 | -41.1 | 177.4 | -160.2 | 65.8 | 2.4 | 0 | 0 | 112.5 | Y802 V803 L804 H809 D842 | Y802-Q806 PolarHBondContact O-N 3.4Å; V803-Q806 PolarHBondContact O-N 3.37Å; L804-Q806 VanDerWaalsContact C-N 3.31Å; L804-Q806 PolarHBondContact O-N 2.92Å; Q806-H809 VanDerWaalsContact O-CB 3.29Å; Q806-H809 WeakPolarHBondContact O-CB 3.46Å; Q806-H809 PolarHBondContact O-N 3.43Å; Q806-D842 PolarHBondContact NE2-OD2 2.83Å |
| 807 | V | 87.1 | Confident | 81.6 | Confident | 1 Ų | 1 | 75.2 Ų | 75.2 | 1% | 0.006 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.4 | -42.6 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.4 | L790 I792 V803 L804 H809 H810 I811 A814 I826 L828 L839 | L790-V807 HydrophobicContact CD2-CG1 4.43Å; L790-V807 HydrophobicContact CD2-CG2 4.19Å; I792-V807 HydrophobicContact CD1-CG2 4.41Å; V803-V807 WeakPolarHBondContact O-CG2 3.43Å; V803-V807 PolarHBondContact O-N 3.5Å; V803-V807 VanDerWaalsContact O-N 3.13Å; L804-V807 PolarHBondContact O-N 3.39Å; V807-H809 PolarHBondContact O-N 2.99Å; V807-H810 PolarHBondContact O-N 3.41Å; V807-I811 PolarHBondContact O-N 2.95Å; V807-I811 VanDerWaalsContact O-N 3.11Å; V807-A814 HydrophobicContact CG1-CB 4.17Å; V807-I826 HydrophobicContact CB-CD1 4.08Å; V807-I826 HydrophobicContact CG1-CD1 4.06Å; V807-I826 HydrophobicContact CG1-CG2 4.15Å; V807-I826 HydrophobicContact CG2-CD1 3.85Å; V807-L828 HydrophobicContact CG1-CD2 4.15Å; V807-L839 HydrophobicContact CG1-CD1 4.47Å; V807-L839 HydrophobicContact CG1-CD2 4.45Å; V807-L839 HydrophobicContact CG2-CD1 4.45Å |
| 808 | K | 87.8 | Confident | 81.3 | Confident | 103 Ų | 103 | 71.2 Ų | 71.2 | 45% | 0.448 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -65.9 | -20.9 | 176.5 | -77.9 | -173 | 174.1 | -173.2 | 0 | 113.8 | L804 I811 P812 A814 | L804-K808 HydrophobicContact CD2-CD 4.44Å; L804-K808 WeakPolarHBondContact O-CB 3.49Å; L804-K808 WeakPolarHBondContact O-CG 3.45Å; L804-K808 PolarHBondContact O-N 2.78Å; K808-I811 WeakPolarHBondContact CA-O 3.43Å; K808-I811 CarbonylContact O-C 3.5Å; K808-P812 WeakPolarHBondContact O-CA 3.4Å; K808-A814 VanDerWaalsContact CE-O 3.28Å; K808-A814 WeakPolarHBondContact CE-O 3.44Å |
| 809 | H | 87.8 | Confident | 81.3 | Confident | 144 Ų | 144 | 72.9 Ų | 72.9 | 67% | 0.667 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.5 | -43.6 | 176.5 | -174.3 | 65.8 | 0 | 0 | 0 | 112 | K805 Q806 V807 | K805-H809 PolarHBondContact O-N 3.17Å; K805-H809 VanDerWaalsContact O-N 3.15Å; Q806-H809 VanDerWaalsContact O-CB 3.29Å; Q806-H809 WeakPolarHBondContact O-CB 3.46Å; Q806-H809 PolarHBondContact O-N 3.43Å; V807-H809 PolarHBondContact O-N 2.99Å |
| 810 | H | 87.8 | Confident | 80.7 | Confident | 47 Ų | 47 | 72.8 Ų | 72.8 | 22% | 0.218 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -80.6 | -39 | 176.3 | -71.6 | -74.9 | 0 | 0 | 0 | 112.4 | V807 L839 D842 | V807-H810 PolarHBondContact O-N 3.41Å; H810-L839 HydrophobicContact CB-CB 4.13Å; H810-L839 HydrophobicContact CB-CD1 4.12Å; H810-D842 IonicContact CD2-OD2 2.82Å; H810-D842 IonicContact CE1-OD2 3.18Å; H810-D842 IonicContact NE2-OD2 3.68Å; H810-D842 PolarHBondContact NE2-OD2 3.29Å |
| 811 | I | 87.5 | Confident | 80.1 | Confident | 3 Ų | 3 | 74.4 Ų | 74.4 | 2% | 0.015 | 37% | 0.368 | C | S | . | . | trans | -129.7 | 94.3 | -175 | -55.7 | 176.4 | 0 | 0 | 0 | 109.8 | V807 K808 N813 A814 L828 P829 F836 L839 | V807-I811 PolarHBondContact O-N 2.95Å; V807-I811 VanDerWaalsContact O-N 3.11Å; K808-I811 WeakPolarHBondContact CA-O 3.43Å; K808-I811 CarbonylContact O-C 3.5Å; I811-N813 VanDerWaalsContact C-N 3.28Å; I811-N813 PolarHBondContact O-N 2.99Å; I811-A814 HydrophobicContact CB-CB 4.29Å; I811-A814 HydrophobicContact CG2-CB 4.12Å; I811-A814 VanDerWaalsContact O-CB 3.26Å; I811-A814 WeakPolarHBondContact O-CB 3.4Å; I811-A814 PolarHBondContact O-N 3.46Å; I811-A814 VanDerWaalsContact O-N 3.16Å; I811-L828 HydrophobicContact CD1-CD1 4.47Å; I811-L828 HydrophobicContact CD1-CD2 3.98Å; I811-P829 HydrophobicContact CG2-CG 4.43Å; I811-F836 HydrophobicContact CD1-CD1 3.55Å; I811-F836 HydrophobicContact CD1-CE1 3.54Å; I811-L839 HydrophobicContact CD1-CD2 3.73Å; I811-L839 HydrophobicContact CG1-CD2 4.5Å | ||
| 812 | P | 82.5 | Confident | 79.6 | Confident | 93 Ų | 93 | 70.5 Ų | 70.5 | 60% | 0.604 | 35% | 0.35 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -27.6 | -174.1 | 22 | -31 | 0 | 0 | 0 | 113.8 | K808 A814 | K808-P812 WeakPolarHBondContact O-CA 3.4Å; P812-A814 PolarHBondContact O-N 3.4Å |
| 813 | N | 82.8 | Confident | 79.2 | Confident | 117 Ų | 117 | 64.7 Ų | 64.7 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | 6 | 178.7 | -66.7 | -7.5 | 0 | 0 | 0 | 113.5 | I811 P829 | I811-N813 VanDerWaalsContact C-N 3.28Å; I811-N813 PolarHBondContact O-N 2.99Å; N813-P829 HydrophobicContact CB-CG 4.02Å |
| 814 | A | 82.3 | Confident | 79.2 | Confident | 3 Ų | 3 | 64.5 Ų | 64.5 | 3% | 0.025 | 33% | 0.327 | C | S | . | . | trans | -70.9 | 129.5 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | V807 K808 I811 P812 I826 L827 L828 | V807-A814 HydrophobicContact CG1-CB 4.17Å; K808-A814 VanDerWaalsContact CE-O 3.28Å; K808-A814 WeakPolarHBondContact CE-O 3.44Å; I811-A814 HydrophobicContact CB-CB 4.29Å; I811-A814 HydrophobicContact CG2-CB 4.12Å; I811-A814 VanDerWaalsContact O-CB 3.26Å; I811-A814 WeakPolarHBondContact O-CB 3.4Å; I811-A814 PolarHBondContact O-N 3.46Å; I811-A814 VanDerWaalsContact O-N 3.16Å; P812-A814 PolarHBondContact O-N 3.4Å; A814-I826 HydrophobicContact CB-CG2 3.93Å; A814-L827 WeakPolarHBondContact CA-O 3.29Å; A814-L828 HydrophobicContact CB-CD2 3.93Å | ||
| 815 | F | 80.9 | Confident | 79 | Confident | 112 Ų | 112 | 64.9 Ų | 64.9 | 49% | 0.491 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 139.7 | 179.2 | 69.7 | -95.4 | 0 | 0 | 0 | 112.4 | R817 L827 | F815-R817 PolarHBondContact O-N 2.84Å; F815-L827 HydrophobicContact CD1-CB 4.19Å; F815-L827 HydrophobicContact CD2-CB 4.27Å; F815-L827 HydrophobicContact CE1-CB 3.8Å; F815-L827 HydrophobicContact CE1-CD2 3.41Å; F815-L827 VanDerWaalsContact CE1-CD2 3.41Å; F815-L827 HydrophobicContact CE1-CG 4.14Å; F815-L827 HydrophobicContact CE2-CB 3.86Å; F815-L827 HydrophobicContact CE2-CD2 4.03Å; F815-L827 HydrophobicContact CG-CB 4.44Å; F815-L827 HydrophobicContact CZ-CB 3.66Å; F815-L827 HydrophobicContact CZ-CD2 3.12Å; F815-L827 HydrophobicContact CZ-CG 3.99Å; F815-L827 PolarHBondContact N-O 3.28Å; F815-L827 PolarHBondContact O-N 3.32Å |
| 816 | T | 78.2 | Confident | 79.1 | Confident | 58 Ų | 58 | 57.1 Ų | 57.1 | 36% | 0.356 | 29% | 0.293 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.9 | 123.5 | 178.9 | -25.2 | 0 | 0 | 0 | 0 | 109.8 | L804 I824 I826 | L804-T816 HydrophobicContact CD1-CG2 3.78Å; L804-T816 WeakPolarHBondContact CD1-OG1 3.28Å; L804-T816 VanDerWaalsContact CD2-OG1 3.28Å; L804-T816 WeakPolarHBondContact CD2-OG1 3.22Å; T816-I824 HydrophobicContact CG2-CG2 4.06Å; T816-I826 HydrophobicContact CG2-CG1 4.46Å |
| 817 | R | 71.6 | Confident | 79.1 | Confident | 106 Ų | 106 | 54.5 Ų | 54.5 | 40% | 0.4 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | -40.9 | 177.1 | -163.7 | 177.5 | -175.7 | 162.9 | 6.9 | 111.4 | L789 F815 R825 E864 | L789-R817 HydrophobicContact CD1-CB 4.29Å; F815-R817 PolarHBondContact O-N 2.84Å; R817-R825 PolarHBondContact N-O 2.95Å; R817-E864 IonicContact CZ-OE2 3.84Å; R817-E864 IonicContact NH1-OE2 2.85Å; R817-E864 PolarHBondContact NH1-OE2 3.21Å; R817-E864 VanDerWaalsContact NH1-OE2 3.15Å; R817-E864 VanDerWaalsContact NH2-CD 3.27Å; R817-E864 IonicContact NH2-OE1 2.73Å; R817-E864 PolarHBondContact NH2-OE1 3.06Å; R817-E864 VanDerWaalsContact NH2-OE1 3.14Å; R817-E864 IonicContact NH2-OE2 3.28Å; R817-E864 PolarHBondContact NH2-OE2 2.95Å |
| 818 | S | 68 | Low | 79.1 | Confident | 21 Ų | 21 | 54.4 Ų | 54.4 | 15% | 0.147 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -156.9 | 143 | 177.2 | 55.5 | 0 | 0 | 0 | 0 | 112.5 | I824 R825 | S818-I824 CarbonylContact O-C 3.6Å; S818-I824 WeakPolarHBondContact O-CA 3.02Å; S818-R825 PolarHBondContact N-O 3.29Å; S818-R825 PolarHBondContact O-N 3.08Å; S818-R825 WeakPolarHBondContact OG-CB 3.41Å |
| 819 | D | 71.2 | Confident | 79 | Confident | 63 Ų | 63 | 51 Ų | 51 | 34% | 0.337 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 104.7 | 171.8 | -178.9 | 10.1 | 0 | 0 | 0 | 107.9 | K794 S800 I824 | K794-D819 IonicContact NZ-OD1 2.67Å; K794-D819 PolarHBondContact NZ-OD1 2.79Å; K794-D819 IonicContact NZ-OD2 3.37Å; S800-D819 WeakPolarHBondContact CB-OD2 3.47Å; S800-D819 PolarHBondContact OG-OD2 2.84Å; D819-I824 WeakPolarHBondContact OD1-CG1 3.3Å |
| 820 | Y | 63.4 | Low | 78.5 | Confident | 71 Ų | 71 | 47 Ų | 47 | 28% | 0.278 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.7 | 113.6 | -173.5 | -65.5 | -58 | 0 | 0 | 0 | 111.7 | E822 E823 R1642 | Y820-E822 PolarHBondContact O-N 2.68Å; Y820-E822 VanDerWaalsContact O-N 3.11Å; Y820-E823 PolarHBondContact N-O 2.75Å; Y820-E823 PolarHBondContact O-N 2.92Å; Y820-R1642 PolarHBondContact OH-NH2 2.93Å |
| 821 | G | 65.5 | Low | 78.1 | Confident | 63 Ų | 63 | 52.9 Ų | 52.9 | 65% | 0.649 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.3 | -114.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | K794 | K794-G821 WeakPolarHBondContact CE-O 3.29Å; K794-G821 PolarHBondContact NZ-O 2.68Å |
| 822 | E | 69.5 | Low | 77.9 | Confident | 81 Ų | 81 | 53.5 Ų | 53.5 | 38% | 0.379 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.2 | 4.5 | 177.4 | -69.4 | -173.6 | 165.1 | 0 | 0 | 113.4 | V793 K794 S796 Y820 | V793-E822 CarbonylContact C-O 3.57Å; V793-E822 WeakPolarHBondContact CA-O 3.46Å; V793-E822 HydrophobicContact CG1-CB 4.27Å; V793-E822 WeakPolarHBondContact CG1-O 3.42Å; K794-E822 WeakPolarHBondContact CG-O 3.44Å; K794-E822 PolarHBondContact N-O 3.3Å; K794-E822 WeakPolarHBondContact O-CB 3.4Å; S796-E822 WeakPolarHBondContact CB-OE1 2.97Å; Y820-E822 PolarHBondContact O-N 2.68Å; Y820-E822 VanDerWaalsContact O-N 3.11Å |
| 823 | E | 73.2 | Confident | 77.8 | Confident | 20 Ų | 20 | 50.5 Ų | 50.5 | 9% | 0.093 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 133.6 | -175.6 | -158.5 | -179.3 | 144 | 0 | 0 | 112.8 | I792 V793 Y820 R825 | I792-E823 CarbonylContact O-C 3.33Å; I792-E823 WeakPolarHBondContact O-CA 3.23Å; V793-E823 HydrophobicContact CG2-CG 4.33Å; Y820-E823 PolarHBondContact N-O 2.75Å; Y820-E823 PolarHBondContact O-N 2.92Å; E823-R825 IonicContact OE1-CZ 2.71Å; E823-R825 IonicContact OE1-NE 3.14Å; E823-R825 PolarHBondContact OE1-NE 3.28Å; E823-R825 IonicContact OE1-NH2 3.95Å; E823-R825 PolarHBondContact OE1-NH2 3.19Å |
| 824 | I | 83.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120 | 135.6 | 176.4 | -59 | 171.2 | 0 | 0 | 0 | 109.2 | S791 I792 K794 V803 T816 S818 D819 I826 | S791-I824 CarbonylContact C-O 3.49Å; S791-I824 WeakPolarHBondContact CA-O 3.2Å; I792-I824 PolarHBondContact N-O 3.08Å; I792-I824 PolarHBondContact O-N 3.42Å; K794-I824 HydrophobicContact CD-CD1 3.97Å; K794-I824 HydrophobicContact CD-CG1 4.26Å; V803-I824 HydrophobicContact CB-CD1 4.48Å; T816-I824 HydrophobicContact CG2-CG2 4.06Å; S818-I824 CarbonylContact O-C 3.6Å; S818-I824 WeakPolarHBondContact O-CA 3.02Å; D819-I824 WeakPolarHBondContact OD1-CG1 3.3Å; I824-I826 HydrophobicContact CG2-CD1 4.26Å; I824-I826 HydrophobicContact CG2-CG1 3.96Å |
| 825 | R | 79.8 | Confident | 77.9 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 13% | 0.128 | 28% | 0.28 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.9 | 129.9 | 173 | -56.7 | -168.5 | -179.7 | 150.9 | 8.2 | 111.7 | L789 L790 R817 S818 E823 E1658 | L789-R825 HydrophobicContact CD1-CB 4.38Å; L789-R825 HydrophobicContact CG-CB 4.43Å; L790-R825 CarbonylContact O-C 3.5Å; L790-R825 VanDerWaalsContact O-CA 3.32Å; L790-R825 WeakPolarHBondContact O-CA 3.37Å; R817-R825 PolarHBondContact N-O 2.95Å; S818-R825 PolarHBondContact N-O 3.29Å; S818-R825 PolarHBondContact O-N 3.08Å; S818-R825 WeakPolarHBondContact OG-CB 3.41Å; E823-R825 IonicContact OE1-CZ 2.71Å; E823-R825 IonicContact OE1-NE 3.14Å; E823-R825 PolarHBondContact OE1-NE 3.28Å; E823-R825 IonicContact OE1-NH2 3.95Å; E823-R825 PolarHBondContact OE1-NH2 3.19Å; R825-E1658 VanDerWaalsContact CZ-O 3.26Å; R825-E1658 PolarHBondContact NH1-O 3.16Å; R825-E1658 PolarHBondContact NH2-O 3.16Å |
| 826 | I | 87.1 | Confident | 78.2 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 133.3 | -175.9 | -55.2 | 171.6 | 0 | 0 | 0 | 108.5 | L789 L790 I792 L804 V807 A814 T816 I824 L828 | L789-I826 WeakPolarHBondContact CA-O 3.43Å; L790-I826 HydrophobicContact CB-CB 4.49Å; L790-I826 PolarHBondContact N-O 3.33Å; L790-I826 PolarHBondContact O-N 3.28Å; I792-I826 HydrophobicContact CD1-CD1 4.34Å; L804-I826 HydrophobicContact CG-CD1 4.4Å; V807-I826 HydrophobicContact CB-CD1 4.08Å; V807-I826 HydrophobicContact CG1-CD1 4.06Å; V807-I826 HydrophobicContact CG1-CG2 4.15Å; V807-I826 HydrophobicContact CG2-CD1 3.85Å; A814-I826 HydrophobicContact CB-CG2 3.93Å; T816-I826 HydrophobicContact CG2-CG1 4.46Å; I824-I826 HydrophobicContact CG2-CD1 4.26Å; I824-I826 HydrophobicContact CG2-CG1 3.96Å; I826-L828 HydrophobicContact CG2-CD2 4.23Å |
| 827 | L | 84.5 | Confident | 78.5 | Confident | 4 Ų | 4 | 46.8 Ų | 46.8 | 2% | 0.021 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.5 | 130.9 | 173.6 | -160.2 | 78.5 | 0 | 0 | 0 | 110.4 | A786 Y788 L789 A814 F815 T860 | A786-L827 HydrophobicContact CB-CD2 3.66Å; A786-L827 VanDerWaalsContact O-CD2 3.27Å; A786-L827 WeakPolarHBondContact O-CD2 3.23Å; Y788-L827 CarbonylContact O-C 3.52Å; L789-L827 HydrophobicContact CB-CD1 4.39Å; L789-L827 HydrophobicContact CD1-CB 4.45Å; L789-L827 HydrophobicContact CD1-CD1 3.75Å; A814-L827 WeakPolarHBondContact CA-O 3.29Å; F815-L827 HydrophobicContact CD1-CB 4.19Å; F815-L827 HydrophobicContact CD2-CB 4.27Å; F815-L827 HydrophobicContact CE1-CB 3.8Å; F815-L827 HydrophobicContact CE1-CD2 3.41Å; F815-L827 VanDerWaalsContact CE1-CD2 3.41Å; F815-L827 HydrophobicContact CE1-CG 4.14Å; F815-L827 HydrophobicContact CE2-CB 3.86Å; F815-L827 HydrophobicContact CE2-CD2 4.03Å; F815-L827 HydrophobicContact CG-CB 4.44Å; F815-L827 HydrophobicContact CZ-CB 3.66Å; F815-L827 HydrophobicContact CZ-CD2 3.12Å; F815-L827 HydrophobicContact CZ-CG 3.99Å; F815-L827 PolarHBondContact N-O 3.28Å; F815-L827 PolarHBondContact O-N 3.32Å; L827-T860 HydrophobicContact CD1-CG2 4.49Å |
| 828 | L | 87.2 | Confident | 79.2 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 118.9 | 179.7 | -55.3 | 180 | 0 | 0 | 0 | 109.3 | G787 Y788 L790 V807 I811 A814 I826 F836 L839 F840 | G787-L828 CarbonylContact C-O 3.45Å; G787-L828 WeakPolarHBondContact CA-O 3.34Å; Y788-L828 PolarHBondContact N-O 3.33Å; Y788-L828 PolarHBondContact O-N 3.27Å; L790-L828 HydrophobicContact CB-CD1 4.04Å; L790-L828 HydrophobicContact CB-CG 4.32Å; L790-L828 HydrophobicContact CD2-CD1 4.45Å; V807-L828 HydrophobicContact CG1-CD2 4.15Å; I811-L828 HydrophobicContact CD1-CD1 4.47Å; I811-L828 HydrophobicContact CD1-CD2 3.98Å; A814-L828 HydrophobicContact CB-CD2 3.93Å; I826-L828 HydrophobicContact CG2-CD2 4.23Å; L828-F836 HydrophobicContact CB-CE1 3.92Å; L828-F836 HydrophobicContact CB-CE2 4.26Å; L828-F836 HydrophobicContact CB-CZ 3.52Å; L828-F836 HydrophobicContact CD1-CE1 4.41Å; L828-F836 HydrophobicContact CD1-CE2 4.43Å; L828-F836 HydrophobicContact CD1-CZ 4.26Å; L828-L839 HydrophobicContact CD1-CD2 3.96Å; L828-L839 HydrophobicContact CD2-CD2 4.31Å; L828-F840 HydrophobicContact CD1-CZ 4.24Å |
| 829 | P | 83.8 | Confident | 80.2 | Confident | 30 Ų | 30 | 45.3 Ų | 45.3 | 20% | 0.195 | 24% | 0.238 | C | C | . | . | trans | -70 | 145.5 | -175.8 | 22.7 | -27.9 | 0 | 0 | 0 | 113.5 | I811 N813 E831 S832 | I811-P829 HydrophobicContact CG2-CG 4.43Å; N813-P829 HydrophobicContact CB-CG 4.02Å; P829-E831 PolarHBondContact O-N 2.96Å; P829-S832 PolarHBondContact O-N 3.3Å; P829-S832 PolarHBondContact O-OG 3.05Å | ||
| 830 | L | 78 | Confident | 81.1 | Confident | 60 Ų | 60 | 42.3 Ų | 42.3 | 31% | 0.314 | 22% | 0.222 | S | C | . | . | G | 310 helix | trans | -61 | -28.3 | -179 | -71.3 | 167.4 | 0 | 0 | 0 | 113.2 | Y788 S832 I833 | Y788-L830 HydrophobicContact CD2-CD2 4.2Å; Y788-L830 HydrophobicContact CE2-CD2 4.16Å; L830-S832 PolarHBondContact O-N 3.26Å; L830-I833 HydrophobicContact CB-CD1 4.39Å; L830-I833 HydrophobicContact CD2-CD1 3.87Å; L830-I833 WeakPolarHBondContact O-CD1 3.38Å; L830-I833 VanDerWaalsContact O-CG1 3.24Å; L830-I833 WeakPolarHBondContact O-CG1 3.27Å; L830-I833 PolarHBondContact O-N 3.49Å |
| 831 | E | 78.8 | Confident | 82.2 | Confident | 172 Ų | 172 | 43 Ų | 43 | 80% | 0.804 | 23% | 0.228 | S | C | * | . | G | 310 helix | trans | -65.3 | -7.9 | 179.4 | -62.6 | 174.4 | -177.5 | 0 | 0 | 113.9 | P829 | P829-E831 PolarHBondContact O-N 2.96Š|
| 832 | S | 83.9 | Confident | 83.3 | Confident | 16 Ų | 16 | 41.8 Ų | 41.8 | 11% | 0.112 | 21% | 0.207 | C | C | . | . | G | 310 helix | trans | -123.2 | 20.4 | -175.2 | 50.7 | 0 | 0 | 0 | 0 | 113.9 | P829 L830 D834 K835 F836 | P829-S832 PolarHBondContact O-N 3.3Å; P829-S832 PolarHBondContact O-OG 3.05Å; L830-S832 PolarHBondContact O-N 3.26Å; S832-D834 PolarHBondContact O-N 3.39Å; S832-K835 PolarHBondContact O-N 2.64Å; S832-F836 WeakPolarHBondContact O-CD1 3.43Å; S832-F836 VanDerWaalsContact O-CE1 3.27Å; S832-F836 WeakPolarHBondContact O-CE1 3.29Å |
| 833 | I | 81.3 | Confident | 84.1 | Confident | 30 Ų | 30 | 38.1 Ų | 38.1 | 15% | 0.154 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -54.1 | -38.7 | -179.5 | -76.2 | 165.2 | 0 | 0 | 0 | 112 | Y788 L830 K835 F836 E1786 | Y788-I833 HydrophobicContact CE2-CD1 4.41Å; Y788-I833 HydrophobicContact CE2-CG1 4.44Å; L830-I833 HydrophobicContact CB-CD1 4.39Å; L830-I833 HydrophobicContact CD2-CD1 3.87Å; L830-I833 WeakPolarHBondContact O-CD1 3.38Å; L830-I833 VanDerWaalsContact O-CG1 3.24Å; L830-I833 WeakPolarHBondContact O-CG1 3.27Å; L830-I833 PolarHBondContact O-N 3.49Å; I833-K835 PolarHBondContact O-N 3.48Å; I833-K835 VanDerWaalsContact O-N 3.13Å; I833-F836 HydrophobicContact CG1-CE2 4.13Å; I833-F836 HydrophobicContact CG1-CZ 4.31Å; I833-F836 VanDerWaalsContact O-CB 3.26Å; I833-F836 WeakPolarHBondContact O-CB 3.44Å; I833-F836 PolarHBondContact O-N 3.3Å; I833-E1786 WeakPolarHBondContact CG2-OE2 3.36Å |
| 834 | D | 81.1 | Confident | 84.7 | Confident | 104 Ų | 104 | 39.2 Ų | 39.2 | 56% | 0.556 | 20% | 0.195 | S | C | * | . | G | 310 helix | trans | -62.1 | -17 | 178.2 | 33.4 | -58.3 | 0 | 0 | 0 | 113.6 | S832 | S832-D834 PolarHBondContact O-N 3.39Š|
| 835 | K | 85.9 | Confident | 84.8 | Confident | 106 Ų | 106 | 43 Ų | 43 | 46% | 0.461 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -97.1 | -7.5 | 173.5 | -61.3 | -177.3 | -177.6 | 177.7 | 0 | 113.9 | S832 I833 G837 N838 L839 | S832-K835 PolarHBondContact O-N 2.64Å; I833-K835 PolarHBondContact O-N 3.48Å; I833-K835 VanDerWaalsContact O-N 3.13Å; K835-G837 VanDerWaalsContact C-N 3.35Å; K835-G837 PolarHBondContact O-N 3.29Å; K835-N838 PolarHBondContact O-N 3.3Å; K835-L839 PolarHBondContact O-N 3.47Å |
| 836 | F | 87.4 | Confident | 85.1 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.3 | -35.9 | -173.5 | -75 | 14.8 | 0 | 0 | 0 | 112.4 | Y788 I811 L828 S832 I833 N838 L839 F840 F1782 | Y788-F836 HydrophobicContact CD2-CD2 4.46Å; Y788-F836 AromaticContact CD2-CE2 3.55Å; Y788-F836 HydrophobicContact CD2-CE2 3.55Å; Y788-F836 HydrophobicContact CD2-CZ 4.34Å; Y788-F836 HydrophobicContact CE2-CE2 4.25Å; Y788-F836 AromaticContact CG-CE2 3.79Å; Y788-F836 HydrophobicContact CG-CE2 3.79Å; I811-F836 HydrophobicContact CD1-CD1 3.55Å; I811-F836 HydrophobicContact CD1-CE1 3.54Å; L828-F836 HydrophobicContact CB-CE1 3.92Å; L828-F836 HydrophobicContact CB-CE2 4.26Å; L828-F836 HydrophobicContact CB-CZ 3.52Å; L828-F836 HydrophobicContact CD1-CE1 4.41Å; L828-F836 HydrophobicContact CD1-CE2 4.43Å; L828-F836 HydrophobicContact CD1-CZ 4.26Å; S832-F836 WeakPolarHBondContact O-CD1 3.43Å; S832-F836 VanDerWaalsContact O-CE1 3.27Å; S832-F836 WeakPolarHBondContact O-CE1 3.29Å; I833-F836 HydrophobicContact CG1-CE2 4.13Å; I833-F836 HydrophobicContact CG1-CZ 4.31Å; I833-F836 VanDerWaalsContact O-CB 3.26Å; I833-F836 WeakPolarHBondContact O-CB 3.44Å; I833-F836 PolarHBondContact O-N 3.3Å; F836-N838 VanDerWaalsContact C-N 3.32Å; F836-N838 PolarHBondContact O-N 3.24Å; F836-L839 PolarHBondContact O-N 3.41Å; F836-F840 HydrophobicContact CB-CD2 4.2Å; F836-F840 HydrophobicContact CB-CE2 3.75Å; F836-F840 HydrophobicContact CB-CZ 4.48Å; F836-F840 HydrophobicContact CD2-CE2 4.19Å; F836-F840 HydrophobicContact CD2-CZ 4.45Å; F836-F840 HydrophobicContact CG-CE2 4.28Å; F836-F840 WeakPolarHBondContact O-CD2 3.44Å; F836-F840 WeakPolarHBondContact O-CG 3.49Å; F836-F840 PolarHBondContact O-N 3.25Å; F836-F1782 HydrophobicContact CB-CD1 4.38Å; F836-F1782 HydrophobicContact CD2-CD1 4.38Å; F836-F1782 AromaticContact CD2-CE1 3.99Å; F836-F1782 HydrophobicContact CD2-CE1 3.99Å; F836-F1782 HydrophobicContact CD2-CZ 4.39Å |
| 837 | G | 84.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 48 Ų | 48 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -54.8 | -47.9 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | K835 F840 E841 S1779 N1783 | K835-G837 VanDerWaalsContact C-N 3.35Å; K835-G837 PolarHBondContact O-N 3.29Å; G837-F840 PolarHBondContact O-N 3.47Å; G837-E841 WeakPolarHBondContact O-CB 3.36Å; G837-E841 PolarHBondContact O-N 3.35Å; G837-S1779 WeakPolarHBondContact O-CB 3.37Å; G837-N1783 WeakPolarHBondContact CA-OD1 3.49Å |
| 838 | N | 86.3 | Confident | 84.6 | Confident | 94 Ų | 94 | 55.3 Ų | 55.3 | 50% | 0.503 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -65.5 | -41.2 | 178.9 | -63.9 | -15.5 | 0 | 0 | 0 | 112.4 | K835 F836 E841 D842 | K835-N838 PolarHBondContact O-N 3.3Å; F836-N838 VanDerWaalsContact C-N 3.32Å; F836-N838 PolarHBondContact O-N 3.24Å; N838-E841 PolarHBondContact O-N 3.47Å; N838-D842 PolarHBondContact O-N 3.32Å; N838-D842 VanDerWaalsContact O-N 3.15Å |
| 839 | L | 89.5 | Confident | 84.3 | Confident | 2 Ų | 2 | 59.8 Ų | 59.8 | 1% | 0.01 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.7 | -47.3 | 176.6 | 171 | 65.5 | 0 | 0 | 0 | 111.4 | L790 V807 H810 I811 L828 K835 F836 E841 D842 L843 | L790-L839 HydrophobicContact CD2-CD2 4.47Å; V807-L839 HydrophobicContact CG1-CD1 4.47Å; V807-L839 HydrophobicContact CG1-CD2 4.45Å; V807-L839 HydrophobicContact CG2-CD1 4.45Å; H810-L839 HydrophobicContact CB-CB 4.13Å; H810-L839 HydrophobicContact CB-CD1 4.12Å; I811-L839 HydrophobicContact CD1-CD2 3.73Å; I811-L839 HydrophobicContact CG1-CD2 4.5Å; L828-L839 HydrophobicContact CD1-CD2 3.96Å; L828-L839 HydrophobicContact CD2-CD2 4.31Å; K835-L839 PolarHBondContact O-N 3.47Å; F836-L839 PolarHBondContact O-N 3.41Å; L839-E841 VanDerWaalsContact C-N 3.35Å; L839-D842 PolarHBondContact O-N 2.75Å; L839-L843 HydrophobicContact CD1-CD1 3.98Å; L839-L843 HydrophobicContact CD1-CG 4.29Å; L839-L843 HydrophobicContact CG-CD1 4.07Å; L839-L843 WeakPolarHBondContact O-CG 3.28Å; L839-L843 PolarHBondContact O-N 2.91Å |
| 840 | F | 88.7 | Confident | 84.1 | Confident | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -69.7 | -34.4 | -178.7 | -63.4 | -44.8 | 0 | 0 | 0 | 112.1 | L790 L828 F836 G837 D842 L843 E844 V857 L1778 F1782 | L790-F840 HydrophobicContact CD1-CE1 4.13Å; L828-F840 HydrophobicContact CD1-CZ 4.24Å; F836-F840 HydrophobicContact CB-CD2 4.2Å; F836-F840 HydrophobicContact CB-CE2 3.75Å; F836-F840 HydrophobicContact CB-CZ 4.48Å; F836-F840 HydrophobicContact CD2-CE2 4.19Å; F836-F840 HydrophobicContact CD2-CZ 4.45Å; F836-F840 HydrophobicContact CG-CE2 4.28Å; F836-F840 WeakPolarHBondContact O-CD2 3.44Å; F836-F840 WeakPolarHBondContact O-CG 3.49Å; F836-F840 PolarHBondContact O-N 3.25Å; G837-F840 PolarHBondContact O-N 3.47Å; F840-D842 VanDerWaalsContact C-N 3.33Å; F840-D842 PolarHBondContact O-N 3.06Å; F840-L843 HydrophobicContact CD1-CD1 4.38Å; F840-L843 PolarHBondContact O-N 3Å; F840-E844 VanDerWaalsContact O-CB 3.27Å; F840-E844 WeakPolarHBondContact O-CB 3.32Å; F840-E844 WeakPolarHBondContact O-CG 3.48Å; F840-E844 PolarHBondContact O-N 3.27Å; F840-V857 HydrophobicContact CD1-CG2 4.24Å; F840-V857 HydrophobicContact CE1-CG2 3.34Å; F840-V857 HydrophobicContact CE2-CG2 4.21Å; F840-V857 HydrophobicContact CZ-CB 4.4Å; F840-V857 HydrophobicContact CZ-CG1 4.25Å; F840-V857 HydrophobicContact CZ-CG2 3.34Å; F840-L1778 HydrophobicContact CB-CD2 4.43Å; F840-L1778 HydrophobicContact CD1-CD2 3.92Å; F840-L1778 HydrophobicContact CD2-CD2 3.7Å; F840-L1778 HydrophobicContact CD2-CG 4.28Å; F840-L1778 HydrophobicContact CE1-CD2 4.14Å; F840-L1778 HydrophobicContact CE2-CD2 3.87Å; F840-L1778 HydrophobicContact CG-CD2 3.75Å; F840-L1778 HydrophobicContact CZ-CD2 4.13Å; F840-F1782 AromaticContact CD2-CD2 3.92Å; F840-F1782 HydrophobicContact CD2-CD2 3.92Å; F840-F1782 HydrophobicContact CD2-CE2 4.21Å; F840-F1782 AromaticContact CE2-CD2 3.8Å; F840-F1782 HydrophobicContact CE2-CD2 3.8Å; F840-F1782 AromaticContact CE2-CE2 3.67Å; F840-F1782 HydrophobicContact CE2-CE2 3.67Å; F840-F1782 HydrophobicContact CE2-CG 4.45Å; F840-F1782 HydrophobicContact CE2-CZ 4.23Å |
| 841 | E | 87.7 | Confident | 84.3 | Confident | 87 Ų | 87 | 56.5 Ų | 56.5 | 41% | 0.407 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.4 | -40.2 | 175.8 | -172.5 | 147.3 | -149.2 | 0 | 0 | 111.9 | G837 N838 L839 E844 S845 | G837-E841 WeakPolarHBondContact O-CB 3.36Å; G837-E841 PolarHBondContact O-N 3.35Å; N838-E841 PolarHBondContact O-N 3.47Å; L839-E841 VanDerWaalsContact C-N 3.35Å; E841-E844 PolarHBondContact O-N 3.01Å; E841-S845 WeakPolarHBondContact O-CB 3.22Å; E841-S845 PolarHBondContact O-N 3.38Å; E841-S845 PolarHBondContact O-OG 3.4Å |
| 842 | D | 87.2 | Confident | 84.6 | Confident | 36 Ų | 36 | 48.6 Ų | 48.6 | 19% | 0.193 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.8 | -40.6 | 176.7 | -157.5 | 16.9 | 0 | 0 | 0 | 112 | Q806 H810 N838 L839 F840 S845 N846 | Q806-D842 PolarHBondContact NE2-OD2 2.83Å; H810-D842 IonicContact CD2-OD2 2.82Å; H810-D842 IonicContact CE1-OD2 3.18Å; H810-D842 IonicContact NE2-OD2 3.68Å; H810-D842 PolarHBondContact NE2-OD2 3.29Å; N838-D842 PolarHBondContact O-N 3.32Å; N838-D842 VanDerWaalsContact O-N 3.15Å; L839-D842 PolarHBondContact O-N 2.75Å; F840-D842 VanDerWaalsContact C-N 3.33Å; F840-D842 PolarHBondContact O-N 3.06Å; D842-S845 PolarHBondContact O-OG 3.47Å; D842-N846 WeakPolarHBondContact O-CB 3.1Å; D842-N846 PolarHBondContact O-N 3.08Å; D842-N846 PolarHBondContact OD1-ND2 3.15Å |
| 843 | L | 87.3 | Confident | 84.4 | Confident | 4 Ų | 4 | 50.2 Ų | 50.2 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68 | -37.3 | 174.7 | -72.7 | 171.7 | 0 | 0 | 0 | 113 | L790 L839 F840 K847 L850 I852 F855 | L790-L843 HydrophobicContact CD2-CD1 3.91Å; L839-L843 HydrophobicContact CD1-CD1 3.98Å; L839-L843 HydrophobicContact CD1-CG 4.29Å; L839-L843 HydrophobicContact CG-CD1 4.07Å; L839-L843 WeakPolarHBondContact O-CG 3.28Å; L839-L843 PolarHBondContact O-N 2.91Å; F840-L843 HydrophobicContact CD1-CD1 4.38Å; F840-L843 PolarHBondContact O-N 3Å; L843-K847 PolarHBondContact O-N 3.4Å; L843-L850 HydrophobicContact CD2-CD1 4.21Å; L843-I852 HydrophobicContact CD2-CD1 4.05Å; L843-F855 HydrophobicContact CB-CE1 4.38Å; L843-F855 HydrophobicContact CB-CZ 4.36Å |
| 844 | E | 86.1 | Confident | 84.5 | Confident | 43 Ų | 43 | 49.2 Ų | 49.2 | 20% | 0.201 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -67.2 | -43.1 | 177.5 | -77.2 | 173.8 | 156.6 | 0 | 0 | 111.5 | F840 E841 F855 R1777 L1778 S1779 | F840-E844 VanDerWaalsContact O-CB 3.27Å; F840-E844 WeakPolarHBondContact O-CB 3.32Å; F840-E844 WeakPolarHBondContact O-CG 3.48Å; F840-E844 PolarHBondContact O-N 3.27Å; E841-E844 PolarHBondContact O-N 3.01Å; E844-F855 HydrophobicContact CB-CZ 4.49Å; E844-F855 HydrophobicContact CG-CE1 4.3Å; E844-F855 HydrophobicContact CG-CE2 4.44Å; E844-F855 HydrophobicContact CG-CZ 3.52Å; E844-R1777 WeakPolarHBondContact OE2-CB 3.35Å; E844-L1778 WeakPolarHBondContact OE1-CB 3.42Å; E844-L1778 PolarHBondContact OE1-N 3.3Å; E844-S1779 WeakPolarHBondContact OE2-CB 3.43Å; E844-S1779 PolarHBondContact OE2-OG 2.99Å |
| 845 | S | 85.8 | Confident | 84.8 | Confident | 80 Ų | 80 | 45.8 Ų | 45.8 | 56% | 0.559 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -77 | -37.7 | -176.5 | 51.8 | 0 | 0 | 0 | 0 | 113.4 | E841 D842 | E841-S845 WeakPolarHBondContact O-CB 3.22Å; E841-S845 PolarHBondContact O-N 3.38Å; E841-S845 PolarHBondContact O-OG 3.4Å; D842-S845 PolarHBondContact O-OG 3.47Å |
| 846 | N | 84.8 | Confident | 84.7 | Confident | 65 Ų | 65 | 41 Ų | 41 | 35% | 0.348 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 21.3 | -176.8 | -68.8 | -46.4 | 0 | 0 | 0 | 114.4 | D842 I848 S849 L850 | D842-N846 WeakPolarHBondContact O-CB 3.1Å; D842-N846 PolarHBondContact O-N 3.08Å; D842-N846 PolarHBondContact OD1-ND2 3.15Å; N846-I848 PolarHBondContact O-N 3.27Å; N846-S849 PolarHBondContact O-N 3.31Å; N846-S849 PolarHBondContact O-OG 2.72Å; N846-L850 HydrophobicContact CB-CD1 3.88Å; N846-L850 HydrophobicContact CB-CG 4.2Å; N846-L850 WeakPolarHBondContact O-CB 3.47Å; N846-L850 WeakPolarHBondContact O-CD1 3.09Å; N846-L850 VanDerWaalsContact O-CG 3.26Å; N846-L850 WeakPolarHBondContact O-CG 3.49Å; N846-L850 PolarHBondContact O-N 2.78Å |
| 847 | K | 82 | Confident | 84.6 | Confident | 75 Ų | 75 | 41.2 Ų | 41.2 | 33% | 0.326 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55 | -47.8 | -172.6 | -172.8 | -180 | 177.5 | -170.3 | 0 | 114.7 | L843 I852 S853 | L843-K847 PolarHBondContact O-N 3.4Å; K847-I852 HydrophobicContact CG-CB 4.18Å; K847-I852 HydrophobicContact CG-CG2 4.26Å; K847-I852 WeakPolarHBondContact CG-O 3.29Å; K847-I852 PolarHBondContact O-N 3.38Å; K847-I852 VanDerWaalsContact O-N 3.1Å; K847-S853 VanDerWaalsContact CE-C 3.47Å; K847-S853 WeakPolarHBondContact CE-O 3.2Å; K847-S853 PolarHBondContact NZ-O 3.2Å |
| 848 | I | 79.7 | Confident | 84.4 | Confident | 157 Ų | 157 | 42.9 Ų | 42.9 | 81% | 0.805 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -73.1 | -40.6 | -175.7 | -58.4 | 168.5 | 0 | 0 | 0 | 110.9 | N846 L850 G851 | N846-I848 PolarHBondContact O-N 3.27Å; I848-L850 VanDerWaalsContact C-N 3.32Å; I848-L850 PolarHBondContact O-N 2.86Å; I848-G851 PolarHBondContact O-N 3.36Å |
| 849 | S | 81.2 | Confident | 84.1 | Confident | 93 Ų | 93 | 39.8 Ų | 39.8 | 65% | 0.65 | 23% | 0.228 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.6 | -29 | -179.2 | 54.2 | 0 | 0 | 0 | 0 | 112.7 | N846 G851 | N846-S849 PolarHBondContact O-N 3.31Å; N846-S849 PolarHBondContact O-OG 2.72Å; S849-G851 VanDerWaalsContact C-N 3.28Å; S849-G851 PolarHBondContact O-N 2.83Å |
| 850 | L | 79.4 | Confident | 83.5 | Confident | 12 Ų | 12 | 40.1 Ų | 40.1 | 6% | 0.063 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -3.5 | 174.3 | -67.7 | 168.2 | 0 | 0 | 0 | 113.7 | C798 Y802 L843 N846 I848 I852 | C798-L850 PolarHBondContact SG-O 2.88Å; Y802-L850 HydrophobicContact CD1-CD2 4.04Å; Y802-L850 HydrophobicContact CE1-CD2 3.8Å; L843-L850 HydrophobicContact CD2-CD1 4.21Å; N846-L850 HydrophobicContact CB-CD1 3.88Å; N846-L850 HydrophobicContact CB-CG 4.2Å; N846-L850 WeakPolarHBondContact O-CB 3.47Å; N846-L850 WeakPolarHBondContact O-CD1 3.09Å; N846-L850 VanDerWaalsContact O-CG 3.26Å; N846-L850 WeakPolarHBondContact O-CG 3.49Å; N846-L850 PolarHBondContact O-N 2.78Å; I848-L850 VanDerWaalsContact C-N 3.32Å; I848-L850 PolarHBondContact O-N 2.86Å; L850-I852 VanDerWaalsContact C-N 3.3Å; L850-I852 HydrophobicContact CB-CD1 3.69Å; L850-I852 HydrophobicContact CB-CG1 3.86Å; L850-I852 HydrophobicContact CD1-CD1 3.99Å; L850-I852 HydrophobicContact CG-CD1 4.49Å; L850-I852 PolarHBondContact O-N 3.03Å |
| 851 | G | 81.5 | Confident | 83.1 | Confident | 10 Ų | 10 | 42.5 Ų | 42.5 | 10% | 0.103 | 24% | 0.244 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 26.9 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q795 I848 S849 | Q795-G851 PolarHBondContact N-O 3.1Å; I848-G851 PolarHBondContact O-N 3.36Å; S849-G851 VanDerWaalsContact C-N 3.28Å; S849-G851 PolarHBondContact O-N 2.83Å |
| 852 | I | 85 | Confident | 82.7 | Confident | 5 Ų | 5 | 38.4 Ų | 38.4 | 3% | 0.026 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 123.6 | -178.1 | -61.3 | 172 | 0 | 0 | 0 | 109.4 | I792 V793 V803 L843 K847 L850 S854 F855 | I792-I852 HydrophobicContact CG2-CB 4.36Å; I792-I852 HydrophobicContact CG2-CD1 3.99Å; I792-I852 HydrophobicContact CG2-CG1 3.84Å; I792-I852 HydrophobicContact CG2-CG2 3.7Å; V793-I852 CarbonylContact O-C 3.55Å; V793-I852 WeakPolarHBondContact O-CA 3.28Å; V803-I852 HydrophobicContact CG1-CD1 4.47Å; V803-I852 HydrophobicContact CG2-CG1 4.5Å; L843-I852 HydrophobicContact CD2-CD1 4.05Å; K847-I852 HydrophobicContact CG-CB 4.18Å; K847-I852 HydrophobicContact CG-CG2 4.26Å; K847-I852 WeakPolarHBondContact CG-O 3.29Å; K847-I852 PolarHBondContact O-N 3.38Å; K847-I852 VanDerWaalsContact O-N 3.1Å; L850-I852 VanDerWaalsContact C-N 3.3Å; L850-I852 HydrophobicContact CB-CD1 3.69Å; L850-I852 HydrophobicContact CB-CG1 3.86Å; L850-I852 HydrophobicContact CD1-CD1 3.99Å; L850-I852 HydrophobicContact CG-CD1 4.49Å; L850-I852 PolarHBondContact O-N 3.03Å; I852-S854 WeakPolarHBondContact CG2-O 3.48Å; I852-F855 HydrophobicContact CG2-CB 4.43Å; I852-F855 HydrophobicContact CG2-CD1 4.29Å |
| 853 | S | 80.4 | Confident | 82.2 | Confident | 51 Ų | 51 | 37 Ų | 37 | 36% | 0.357 | 22% | 0.218 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.1 | -41.9 | 175.5 | 55.5 | 0 | 0 | 0 | 0 | 112 | V793 K847 | V793-S853 WeakPolarHBondContact CB-OG 3.43Å; V793-S853 WeakPolarHBondContact CG1-OG 3.2Å; V793-S853 PolarHBondContact O-N 3.19Å; V793-S853 PolarHBondContact O-OG 2.74Å; V793-S853 VanDerWaalsContact O-OG 3.07Å; K847-S853 VanDerWaalsContact CE-C 3.47Å; K847-S853 WeakPolarHBondContact CE-O 3.2Å; K847-S853 PolarHBondContact NZ-O 3.2Å |
| 854 | S | 82.7 | Confident | 81.8 | Confident | 9 Ų | 9 | 37.8 Ų | 37.8 | 6% | 0.063 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.5 | 158 | 172.7 | 63.8 | 0 | 0 | 0 | 0 | 111.2 | V793 I852 | V793-S854 WeakPolarHBondContact CG2-OG 3.46Å; V793-S854 PolarHBondContact N-O 3.01Å; I852-S854 WeakPolarHBondContact CG2-O 3.48Å |
| 855 | F | 87 | Confident | 81.5 | Confident | 31 Ų | 31 | 35.7 Ų | 35.7 | 14% | 0.136 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 162.4 | 170.3 | 68.4 | -88.2 | 0 | 0 | 0 | 109.7 | L790 S791 I792 L843 E844 I852 Q1679 | L790-F855 HydrophobicContact CD1-CD2 4.25Å; S791-F855 CarbonylContact O-C 3.5Å; S791-F855 WeakPolarHBondContact O-CA 3.36Å; S791-F855 WeakPolarHBondContact O-CB 3.38Å; I792-F855 HydrophobicContact CB-CB 4.44Å; I792-F855 HydrophobicContact CG1-CB 4.01Å; L843-F855 HydrophobicContact CB-CE1 4.38Å; L843-F855 HydrophobicContact CB-CZ 4.36Å; E844-F855 HydrophobicContact CB-CZ 4.49Å; E844-F855 HydrophobicContact CG-CE1 4.3Å; E844-F855 HydrophobicContact CG-CE2 4.44Å; E844-F855 HydrophobicContact CG-CZ 3.52Å; I852-F855 HydrophobicContact CG2-CB 4.43Å; I852-F855 HydrophobicContact CG2-CD1 4.29Å; F855-Q1679 PolarHBondContact O-NE2 3.43Å |
| 856 | G | 83.9 | Confident | 81.2 | Confident | 6 Ų | 6 | 32.1 Ų | 32.1 | 6% | 0.062 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.6 | 162 | -177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | S791 | S791-G856 PolarHBondContact N-O 3.22Å; S791-G856 PolarHBondContact O-N 2.92Å |
| 857 | V | 86 | Confident | 80.8 | Confident | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.024 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 134.4 | -174.2 | 174 | 0 | 0 | 0 | 0 | 110.3 | Y788 L790 F840 L1778 Q1801 | Y788-V857 HydrophobicContact CD1-CG1 3.51Å; Y788-V857 HydrophobicContact CE1-CG1 4.22Å; Y788-V857 HydrophobicContact CG-CG1 4.37Å; L790-V857 HydrophobicContact CD1-CG2 3.96Å; F840-V857 HydrophobicContact CD1-CG2 4.24Å; F840-V857 HydrophobicContact CE1-CG2 3.34Å; F840-V857 HydrophobicContact CE2-CG2 4.21Å; F840-V857 HydrophobicContact CZ-CB 4.4Å; F840-V857 HydrophobicContact CZ-CG1 4.25Å; F840-V857 HydrophobicContact CZ-CG2 3.34Å; V857-L1778 HydrophobicContact CB-CD2 4.04Å; V857-L1778 HydrophobicContact CG2-CD2 3.59Å; V857-Q1801 PolarHBondContact O-N 3.5Å; V857-Q1801 VanDerWaalsContact O-N 3.17Å |
| 858 | S | 79.8 | Confident | 80.6 | Confident | 36 Ų | 36 | 30.3 Ų | 30.3 | 25% | 0.252 | 18% | 0.176 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.5 | 141.7 | 176.3 | 57.2 | 0 | 0 | 0 | 0 | 110.9 | Y788 L789 | Y788-S858 CarbonylContact C-O 3.6Å; L789-S858 PolarHBondContact N-O 3.09Å; L789-S858 PolarHBondContact O-N 3.25Å; L789-S858 PolarHBondContact O-OG 3.46Å |
| 859 | V | 80.4 | Confident | 80.5 | Confident | 29 Ų | 29 | 23.1 Ų | 23.1 | 18% | 0.176 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.3 | 157.1 | 174.7 | -179.4 | 0 | 0 | 0 | 0 | 110 | Y788 T861 | Y788-V859 HydrophobicContact CD1-CG2 3.86Å; Y788-V859 HydrophobicContact CE1-CB 4.41Å; Y788-V859 HydrophobicContact CE1-CG2 3.31Å; V859-T861 PolarHBondContact O-N 2.93Å |
| 860 | T | 76.8 | Confident | 79.9 | Confident | 9 Ų | 9 | 19 Ų | 19 | 6% | 0.055 | 11% | 0.111 | C | C | . | . | P | Polyproline II helix | trans | -55.2 | 130.7 | 168.1 | 39 | 0 | 0 | 0 | 0 | 112.4 | K781 A786 G787 L827 E864 | K781-T860 WeakPolarHBondContact CE-O 3.41Å; A786-T860 HydrophobicContact CB-CG2 3.9Å; G787-T860 WeakPolarHBondContact O-CG2 3.42Å; G787-T860 PolarHBondContact O-N 3.24Å; G787-T860 VanDerWaalsContact O-N 3.09Å; G787-T860 PolarHBondContact O-OG1 2.97Å; L827-T860 HydrophobicContact CD1-CG2 4.49Å; T860-E864 HydrophobicContact CG2-CB 4.25Å; T860-E864 HydrophobicContact CG2-CG 4.09Å |
| 861 | T | 79.5 | Confident | 79.5 | Confident | 50 Ų | 50 | 24 Ų | 24 | 31% | 0.307 | 13% | 0.132 | S | C | . | . | P | Polyproline II helix | trans | -75.3 | 161.3 | 179.1 | 62.3 | 0 | 0 | 0 | 0 | 111.3 | V859 E863 E864 | V859-T861 PolarHBondContact O-N 2.93Å; T861-E863 PolarHBondContact O-N 3Å; T861-E863 VanDerWaalsContact O-N 3.15Å; T861-E864 WeakPolarHBondContact O-CB 3.29Å; T861-E864 PolarHBondContact O-N 3.49Å |
| 862 | M | 80.7 | Confident | 78.7 | Confident | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.5 | -19.8 | 173.7 | -166.2 | 58.2 | 58.4 | 0 | 0 | 112.1 | M753 D757 I763 P777 L780 K781 E864 V865 F866 | M753-M862 HydrophobicContact CB-CB 4.11Å; D757-M862 HydrophobicContact CB-CB 4.36Å; I763-M862 HydrophobicContact CD1-CE 4.01Å; I763-M862 HydrophobicContact CD1-CG 4.18Å; I763-M862 HydrophobicContact CD1-SD 4.18Å; P777-M862 HydrophobicContact CB-CE 3.77Å; P777-M862 WeakPolarHBondContact O-CE 3.3Å; L780-M862 HydrophobicContact CB-CE 4.46Å; L780-M862 HydrophobicContact CB-SD 4.34Å; K781-M862 HydrophobicContact CD-CE 4.06Å; K781-M862 HydrophobicContact CG-CE 3.73Å; M862-E864 VanDerWaalsContact C-N 3.34Å; M862-V865 PolarHBondContact O-N 3.28Å; M862-V865 HydrophobicContact SD-CB 3.98Å; M862-V865 HydrophobicContact SD-CG1 4.03Å; M862-V865 HydrophobicContact SD-CG2 4.29Å; M862-F866 WeakPolarHBondContact O-CB 3.41Å; M862-F866 PolarHBondContact O-N 3.4Å |
| 863 | E | 77.1 | Confident | 77.2 | Confident | 7 Ų | 7 | 29.8 Ų | 29.8 | 3% | 0.033 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | 169.5 | -55 | -144.4 | 128 | 0 | 0 | 113.4 | M753 T861 F867 R1630 R1631 E1655 | M753-E863 HydrophobicContact CB-CG 3.54Å; M753-E863 HydrophobicContact CG-CB 4.36Å; M753-E863 HydrophobicContact CG-CG 3.62Å; T861-E863 PolarHBondContact O-N 3Å; T861-E863 VanDerWaalsContact O-N 3.15Å; E863-F867 VanDerWaalsContact O-CB 3.29Å; E863-F867 WeakPolarHBondContact O-CB 3.31Å; E863-F867 PolarHBondContact O-N 3.23Å; E863-R1630 IonicContact OE1-CZ 3.72Å; E863-R1630 IonicContact OE1-NH1 3.19Å; E863-R1630 PolarHBondContact OE1-NH1 3.19Å; E863-R1630 IonicContact OE1-NH2 3.52Å; E863-R1630 PolarHBondContact OE1-NH2 3.18Å; E863-R1630 IonicContact OE2-NH1 3.5Å; E863-R1630 PolarHBondContact OE2-NH1 2.91Å; E863-R1631 PolarHBondContact O-NH1 2.92Å; E863-R1631 VanDerWaalsContact O-NH1 3.16Å; E863-E1655 VanDerWaalsContact CD-OE2 3.3Å |
| 864 | E | 77.7 | Confident | 75.7 | Confident | 19 Ų | 19 | 31.6 Ų | 31.6 | 9% | 0.089 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68.2 | -45.6 | 178 | -157 | 69.6 | -144.2 | 0 | 0 | 110.7 | A786 R817 T860 T861 M862 F867 Q868 R1631 | A786-E864 HydrophobicContact CB-CG 4.36Å; R817-E864 IonicContact CZ-OE2 3.84Å; R817-E864 IonicContact NH1-OE2 2.85Å; R817-E864 PolarHBondContact NH1-OE2 3.21Å; R817-E864 VanDerWaalsContact NH1-OE2 3.15Å; R817-E864 VanDerWaalsContact NH2-CD 3.27Å; R817-E864 IonicContact NH2-OE1 2.73Å; R817-E864 PolarHBondContact NH2-OE1 3.06Å; R817-E864 VanDerWaalsContact NH2-OE1 3.14Å; R817-E864 IonicContact NH2-OE2 3.28Å; R817-E864 PolarHBondContact NH2-OE2 2.95Å; T860-E864 HydrophobicContact CG2-CB 4.25Å; T860-E864 HydrophobicContact CG2-CG 4.09Å; T861-E864 WeakPolarHBondContact O-CB 3.29Å; T861-E864 PolarHBondContact O-N 3.49Å; M862-E864 VanDerWaalsContact C-N 3.34Å; E864-F867 PolarHBondContact O-N 2.91Å; E864-Q868 PolarHBondContact O-N 2.81Å; E864-R1631 IonicContact OE1-NH1 3.59Å; E864-R1631 IonicContact OE2-CZ 3.98Å; E864-R1631 IonicContact OE2-NH1 3.15Å; E864-R1631 IonicContact OE2-NH2 2.64Å; E864-R1631 PolarHBondContact OE2-NH2 2.89Å |
| 865 | V | 79.6 | Confident | 73.8 | Confident | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -56.8 | -52.6 | 174.9 | 170.5 | 0 | 0 | 0 | 0 | 110.3 | I765 L780 K781 Y784 M862 F867 Q868 V869 | I765-V865 HydrophobicContact CD1-CG1 4.5Å; L780-V865 HydrophobicContact CB-CG1 4.2Å; K781-V865 HydrophobicContact CG-CG2 4.16Å; Y784-V865 HydrophobicContact CD2-CG1 4.05Å; Y784-V865 HydrophobicContact CG-CG1 4.17Å; M862-V865 PolarHBondContact O-N 3.28Å; M862-V865 HydrophobicContact SD-CB 3.98Å; M862-V865 HydrophobicContact SD-CG1 4.03Å; M862-V865 HydrophobicContact SD-CG2 4.29Å; V865-F867 PolarHBondContact O-N 3.29Å; V865-Q868 PolarHBondContact O-N 2.69Å; V865-Q868 VanDerWaalsContact O-N 3.13Å; V865-V869 HydrophobicContact CG1-CG2 4.42Å; V865-V869 WeakPolarHBondContact O-CG2 3.36Å; V865-V869 PolarHBondContact O-N 3.38Å |
| 866 | F | 80 | Confident | 71.6 | Confident | 5 Ų | 5 | 40.7 Ų | 40.7 | 2% | 0.022 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -57.7 | -38.6 | 178.9 | -177.1 | -96.1 | 0 | 0 | 0 | 112.5 | L595 M753 I765 M862 S870 P1627 I1628 | L595-F866 HydrophobicContact CB-CE2 4.47Å; M753-F866 HydrophobicContact CE-CB 4.48Å; M753-F866 HydrophobicContact CE-CD1 4.24Å; M753-F866 HydrophobicContact CE-CD2 4.07Å; M753-F866 HydrophobicContact CE-CE2 4.41Å; M753-F866 HydrophobicContact CE-CG 3.99Å; I765-F866 HydrophobicContact CD1-CD2 4.25Å; I765-F866 HydrophobicContact CG2-CD2 3.8Å; I765-F866 HydrophobicContact CG2-CE2 3.76Å; M862-F866 WeakPolarHBondContact O-CB 3.41Å; M862-F866 PolarHBondContact O-N 3.4Å; F866-S870 WeakPolarHBondContact O-CB 3.03Å; F866-S870 PolarHBondContact O-N 3.26Å; F866-S870 VanDerWaalsContact O-N 3.07Å; F866-S870 PolarHBondContact O-OG 2.99Å; F866-P1627 HydrophobicContact CD1-CB 4.02Å; F866-P1627 HydrophobicContact CD1-CG 4.02Å; F866-P1627 HydrophobicContact CE1-CB 4.18Å; F866-P1627 HydrophobicContact CE1-CG 3.94Å; F866-I1628 HydrophobicContact CD1-CG1 4.39Å; F866-I1628 HydrophobicContact CE1-CD1 3.82Å; F866-I1628 HydrophobicContact CE1-CG1 3.87Å; F866-I1628 HydrophobicContact CZ-CD1 4.43Å |
| 867 | F | 76.7 | Confident | 69.4 | Low | 37 Ų | 37 | 44.3 Ų | 44.3 | 16% | 0.162 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -71.4 | -36 | 177.7 | -176.5 | -108.5 | 0 | 0 | 0 | 113.5 | E863 E864 V865 S870 K871 R1631 | E863-F867 VanDerWaalsContact O-CB 3.29Å; E863-F867 WeakPolarHBondContact O-CB 3.31Å; E863-F867 PolarHBondContact O-N 3.23Å; E864-F867 PolarHBondContact O-N 2.91Å; V865-F867 PolarHBondContact O-N 3.29Å; F867-S870 WeakPolarHBondContact CA-OG 3.19Å; F867-S870 PolarHBondContact O-OG 2.95Å; F867-K871 HydrophobicContact CD1-CD 4.21Å; F867-K871 HydrophobicContact CE1-CD 3.8Å; F867-K871 HydrophobicContact CE1-CG 4.48Å; F867-K871 VanDerWaalsContact CE1-NZ 3.31Å; F867-K871 HydrophobicContact CZ-CD 4.15Å; F867-K871 WeakPolarHBondContact O-CB 3.25Å; F867-K871 PolarHBondContact O-N 3.15Å; F867-R1631 VanDerWaalsContact CG-NH1 3.26Å |
| 868 | Q | 77.6 | Confident | 67 | Low | 64 Ų | 64 | 46.4 Ų | 46.4 | 30% | 0.299 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -65.9 | -47.3 | 173.3 | -74 | -162.2 | 9.3 | 0 | 0 | 111.7 | Y784 E864 V865 S870 K871 Q872 | Y784-Q868 PolarHBondContact O-NE2 2.81Å; Y784-Q868 PolarHBondContact O-OE1 3.01Å; E864-Q868 PolarHBondContact O-N 2.81Å; V865-Q868 PolarHBondContact O-N 2.69Å; V865-Q868 VanDerWaalsContact O-N 3.13Å; Q868-S870 VanDerWaalsContact C-N 3.28Å; Q868-S870 PolarHBondContact O-N 2.87Å; Q868-K871 PolarHBondContact O-N 3.38Å; Q868-K871 VanDerWaalsContact O-N 3.15Å; Q868-Q872 PolarHBondContact O-N 3.16Å |
| 869 | V | 76.8 | Confident | 64.6 | Low | 6 Ų | 6 | 53.9 Ų | 53.9 | 4% | 0.036 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -58 | -42.4 | 178.1 | 174.5 | 0 | 0 | 0 | 0 | 111 | I765 K772 Y784 V865 | I765-V869 HydrophobicContact CG2-CG1 4.14Å; K772-V869 HydrophobicContact CB-CG1 4.26Å; Y784-V869 HydrophobicContact CD1-CG2 3.85Å; Y784-V869 HydrophobicContact CD2-CG2 4.1Å; Y784-V869 HydrophobicContact CE1-CG2 3.72Å; Y784-V869 HydrophobicContact CE2-CG2 3.99Å; Y784-V869 HydrophobicContact CG-CG2 4.01Å; V865-V869 HydrophobicContact CG1-CG2 4.42Å; V865-V869 WeakPolarHBondContact O-CG2 3.36Å; V865-V869 PolarHBondContact O-N 3.38Å |
| 870 | S | 70.4 | Confident | 62.4 | Low | 8 Ų | 8 | 59.4 Ų | 59.4 | 6% | 0.056 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -77.7 | -20.7 | 179.1 | 53.8 | 0 | 0 | 0 | 0 | 115 | F866 F867 Q868 T873 N874 I1628 | F866-S870 WeakPolarHBondContact O-CB 3.03Å; F866-S870 PolarHBondContact O-N 3.26Å; F866-S870 VanDerWaalsContact O-N 3.07Å; F866-S870 PolarHBondContact O-OG 2.99Å; F867-S870 WeakPolarHBondContact CA-OG 3.19Å; F867-S870 PolarHBondContact O-OG 2.95Å; Q868-S870 VanDerWaalsContact C-N 3.28Å; Q868-S870 PolarHBondContact O-N 2.87Å; S870-T873 PolarHBondContact O-OG1 3.4Å; S870-N874 PolarHBondContact O-ND2 3.25Å; S870-I1628 WeakPolarHBondContact OG-CD1 3.15Å |
| 871 | K | 69.4 | Low | 60.4 | Low | 116 Ų | 116 | 68.3 Ų | 68.3 | 50% | 0.504 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -70.4 | -41 | 170.8 | -92.1 | -176.8 | 167.3 | 178.5 | 0 | 111.7 | F867 Q868 T873 N874 I875 | F867-K871 HydrophobicContact CD1-CD 4.21Å; F867-K871 HydrophobicContact CE1-CD 3.8Å; F867-K871 HydrophobicContact CE1-CG 4.48Å; F867-K871 VanDerWaalsContact CE1-NZ 3.31Å; F867-K871 HydrophobicContact CZ-CD 4.15Å; F867-K871 WeakPolarHBondContact O-CB 3.25Å; F867-K871 PolarHBondContact O-N 3.15Å; Q868-K871 PolarHBondContact O-N 3.38Å; Q868-K871 VanDerWaalsContact O-N 3.15Å; K871-T873 VanDerWaalsContact C-N 3.27Å; K871-T873 PolarHBondContact O-N 3.14Å; K871-N874 PolarHBondContact O-N 3.39Å; K871-I875 WeakPolarHBondContact O-CG1 3.3Å; K871-I875 PolarHBondContact O-N 3.3Å |
| 872 | Q | 64.8 | Low | 58.1 | Low | 98 Ų | 98 | 71.7 Ų | 71.7 | 46% | 0.458 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60.6 | -35.6 | 179.5 | -74.4 | 178.6 | -20 | 0 | 0 | 112.3 | Q868 | Q868-Q872 PolarHBondContact O-N 3.16Å |
| 873 | T | 53.9 | Low | 55.8 | Low | 39 Ų | 39 | 76.4 Ų | 76.4 | 24% | 0.239 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.4 | -33.6 | 178.8 | 46.4 | 0 | 0 | 0 | 0 | 114 | K772 S870 K871 I875 V876 | K772-T873 HydrophobicContact CD-CG2 4.23Å; K772-T873 HydrophobicContact CG-CG2 4.41Å; S870-T873 PolarHBondContact O-OG1 3.4Å; K871-T873 VanDerWaalsContact C-N 3.27Å; K871-T873 PolarHBondContact O-N 3.14Å; T873-I875 VanDerWaalsContact C-N 3.34Å; T873-I875 PolarHBondContact O-N 2.61Å; T873-V876 PolarHBondContact O-N 3.24Å |
| 874 | N | 48.1 | Very low | 53.8 | Low | 89 Ų | 89 | 86 Ų | 86 | 48% | 0.476 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -72 | -25.8 | 178.1 | -77.4 | -33 | 0 | 0 | 0 | 113.1 | S870 K871 V876 S877 C878 | S870-N874 PolarHBondContact O-ND2 3.25Å; K871-N874 PolarHBondContact O-N 3.39Å; N874-V876 PolarHBondContact O-N 3.41Å; N874-S877 PolarHBondContact O-N 3.24Å; N874-S877 PolarHBondContact O-OG 3.19Å; N874-C878 VanDerWaalsContact O-CB 3.31Å; N874-C878 WeakPolarHBondContact O-CB 3.35Å; N874-C878 PolarHBondContact O-N 3.38Å; N874-C878 PolarHBondContact O-SG 3.43Å |
| 875 | I | 44.4 | Very low | 51.7 | Low | 108 Ų | 108 | 91.1 Ų | 91.1 | 55% | 0.554 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -65.7 | -30.2 | 178.9 | -65.4 | 165 | 0 | 0 | 0 | 111.3 | K871 T873 R879 | K871-I875 WeakPolarHBondContact O-CG1 3.3Å; K871-I875 PolarHBondContact O-N 3.3Å; T873-I875 VanDerWaalsContact C-N 3.34Å; T873-I875 PolarHBondContact O-N 2.61Å; I875-R879 PolarHBondContact O-N 3.36Å |
| 876 | V | 40.4 | Very low | 49.5 | Very low | 122 Ų | 122 | 94.7 Ų | 94.7 | 74% | 0.739 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -74.8 | -31.3 | 178.1 | -176.6 | 0 | 0 | 0 | 0 | 112.2 | T873 N874 | T873-V876 PolarHBondContact O-N 3.24Å; N874-V876 PolarHBondContact O-N 3.41Å |
| 877 | S | 36.8 | Very low | 47.4 | Very low | 82 Ų | 82 | 104.6 Ų | 104.6 | 57% | 0.573 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -89.1 | -23.3 | 176.7 | 56.9 | 0 | 0 | 0 | 0 | 113.9 | N874 | N874-S877 PolarHBondContact O-N 3.24Å; N874-S877 PolarHBondContact O-OG 3.19Å |
| 878 | C | 35.4 | Very low | 45.2 | Very low | 49 Ų | 49 | 112.8 Ų | 112.8 | 33% | 0.331 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -85.8 | -19.1 | 178.9 | -73.4 | 0 | 0 | 0 | 0 | 114.6 | N874 N880 R881 E882 | N874-C878 VanDerWaalsContact O-CB 3.31Å; N874-C878 WeakPolarHBondContact O-CB 3.35Å; N874-C878 PolarHBondContact O-N 3.38Å; N874-C878 PolarHBondContact O-SG 3.43Å; C878-N880 PolarHBondContact O-N 3.16Å; C878-N880 VanDerWaalsContact O-N 3.14Å; C878-R881 PolarHBondContact O-N 3.34Å; C878-E882 HydrophobicContact CB-CG 4.49Å; C878-E882 PolarHBondContact O-N 3.45Å |
| 879 | R | 29.9 | Very low | 43 | Very low | 192 Ų | 192 | 116.2 Ų | 116.2 | 73% | 0.725 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -23.2 | -177.2 | -144.9 | 171.2 | -173.3 | 172.1 | 0.5 | 114.1 | I875 T883 | I875-R879 PolarHBondContact O-N 3.36Å; R879-T883 PolarHBondContact O-OG1 3.45Å |
| 880 | N | 33.8 | Very low | 40.9 | Very low | 145 Ų | 145 | 121.2 Ų | 121.2 | 78% | 0.775 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -86.6 | -8.4 | 174.2 | -76.3 | -6.4 | 0 | 0 | 0 | 114.4 | C878 | C878-N880 PolarHBondContact O-N 3.16Å; C878-N880 VanDerWaalsContact O-N 3.14Å |
| 881 | R | 35 | Very low | 39.2 | Very low | 196 Ų | 196 | 127.5 Ų | 127.5 | 74% | 0.74 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -109.1 | -35.8 | 178.6 | -114.5 | 177.6 | 169.1 | 168.7 | -2.8 | 113 | C878 T883 R884 E885 | C878-R881 PolarHBondContact O-N 3.34Å; R881-T883 VanDerWaalsContact C-N 3.26Å; R881-T883 PolarHBondContact O-N 3.11Å; R881-R884 PolarHBondContact O-N 3.13Å; R881-R884 VanDerWaalsContact O-N 3.1Å; R881-E885 PolarHBondContact O-N 2.82Å |
| 882 | E | 31.4 | Very low | 37.3 | Very low | 121 Ų | 121 | 129.8 Ų | 129.8 | 57% | 0.565 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -69.7 | -21.2 | 178.9 | -71.3 | -176.4 | 165.9 | 0 | 0 | 113.3 | C878 R884 S886 | C878-E882 HydrophobicContact CB-CG 4.49Å; C878-E882 PolarHBondContact O-N 3.45Å; E882-R884 VanDerWaalsContact C-N 3.33Å; E882-S886 WeakPolarHBondContact O-CB 3.39Å; E882-S886 PolarHBondContact O-N 3.29Å; E882-S886 PolarHBondContact O-OG 3.04Å |
| 883 | T | 33.3 | Very low | 35.7 | Very low | 101 Ų | 101 | 133 Ų | 133 | 62% | 0.62 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -74.6 | -16.8 | 171.6 | 28.9 | 0 | 0 | 0 | 0 | 113.8 | R879 R881 | R879-T883 PolarHBondContact O-OG1 3.45Å; R881-T883 VanDerWaalsContact C-N 3.26Å; R881-T883 PolarHBondContact O-N 3.11Å |
| 884 | R | 34.4 | Very low | 34.5 | Very low | 209 Ų | 209 | 136.2 Ų | 136.2 | 79% | 0.789 | 66% | 0.661 | S | S | * | * | H | α-helix | trans | -99.7 | -26.5 | 173.8 | -93.4 | -180 | 169.2 | 167.9 | -1.2 | 113.9 | R881 E882 | R881-R884 PolarHBondContact O-N 3.13Å; R881-R884 VanDerWaalsContact O-N 3.1Å; E882-R884 VanDerWaalsContact C-N 3.33Å |
| 885 | E | 34.5 | Very low | 33.5 | Very low | 127 Ų | 127 | 142.7 Ų | 142.7 | 59% | 0.593 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -92.7 | -28 | 177.6 | -80.7 | -176 | 163.6 | 0 | 0 | 114.4 | R881 R887 R888 K889 | R881-E885 PolarHBondContact O-N 2.82Å; E885-R887 PolarHBondContact O-N 3.45Å; E885-R888 PolarHBondContact O-N 3.48Å; E885-R888 VanDerWaalsContact O-N 3.17Å; E885-K889 PolarHBondContact O-N 3.37Å |
| 886 | S | 33.4 | Very low | 32.8 | Very low | 74 Ų | 74 | 145.2 Ų | 145.2 | 52% | 0.517 | 69% | 0.686 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -72.9 | -9.3 | 174.6 | -62.1 | 0 | 0 | 0 | 0 | 113.8 | E882 T890 | E882-S886 WeakPolarHBondContact O-CB 3.39Å; E882-S886 PolarHBondContact O-N 3.29Å; E882-S886 PolarHBondContact O-OG 3.04Å; S886-T890 PolarHBondContact O-OG1 3.2Å |
| 887 | R | 34 | Very low | 32.1 | Very low | 214 Ų | 214 | 145.3 Ų | 145.3 | 81% | 0.808 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -15.3 | 169.7 | -105.5 | 179.5 | 176.5 | 177.2 | -0.4 | 114 | E885 | E885-R887 PolarHBondContact O-N 3.45Š|
| 888 | R | 32.3 | Very low | 31.6 | Very low | 208 Ų | 208 | 146.9 Ų | 146.9 | 79% | 0.785 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | -29.5 | 175 | -101.2 | 179.6 | 172.9 | 166.4 | -1.9 | 113.3 | E885 | E885-R888 PolarHBondContact O-N 3.48Å; E885-R888 VanDerWaalsContact O-N 3.17Å |
| 889 | K | 31.6 | Very low | 31.2 | Very low | 136 Ų | 136 | 151.9 Ų | 151.9 | 59% | 0.591 | 72% | 0.716 | S | S | * | * | H | α-helix | trans | -78.1 | -14.9 | 178.8 | -76.8 | 178.7 | 176.8 | 170.5 | 0 | 114.9 | E885 Q893 | E885-K889 PolarHBondContact O-N 3.37Å; K889-Q893 PolarHBondContact O-OE1 3.01Å |
| 890 | T | 31.5 | Very low | 31.1 | Very low | 112 Ų | 112 | 148.2 Ų | 148.2 | 69% | 0.687 | 72% | 0.715 | S | S | * | * | H | α-helix | trans | -91.9 | 3 | -177.4 | -36.8 | 0 | 0 | 0 | 0 | 113.9 | S886 | S886-T890 PolarHBondContact O-OG1 3.2Å |
| 891 | I | 34.2 | Very low | 30.9 | Very low | 139 Ų | 139 | 151.4 Ų | 151.4 | 71% | 0.713 | 72% | 0.722 | S | S | * | * | H | α-helix | trans | -115.4 | -11.4 | 174.9 | -63.7 | 177.1 | 0 | 0 | 0 | 112.6 | ||
| 892 | E | 30.3 | Very low | 30.7 | Very low | 165 Ų | 165 | 145.9 Ų | 145.9 | 77% | 0.771 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -109 | -0.5 | 177.2 | -77.3 | -176.8 | 157.5 | 0 | 0 | 114.9 | ||
| 893 | Q | 30.4 | Very low | 30.8 | Very low | 164 Ų | 164 | 146.5 Ų | 146.5 | 77% | 0.766 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | 9.1 | -178.9 | -85.3 | -177.9 | -26.7 | 0 | 0 | 115.9 | K889 | K889-Q893 PolarHBondContact O-OE1 3.01Š|
| 894 | S | 29.4 | Very low | 31.4 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.4 | 14.6 | 174.2 | 56.8 | 0 | 0 | 0 | 0 | 114.7 | ||
| 895 | R | 27.7 | Very low | 31.9 | Very low | 224 Ų | 224 | 146.7 Ų | 146.7 | 85% | 0.845 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -125.9 | 9.3 | -177.5 | -98.3 | -173.9 | -177.5 | 172.2 | 2 | 118.5 | ||
| 896 | F | 28.8 | Very low | 32.5 | Very low | 162 Ų | 162 | 148.8 Ų | 148.8 | 71% | 0.711 | 73% | 0.727 | S | S | * | * | trans | -122 | 78.2 | 168.9 | -98.3 | -81.1 | 0 | 0 | 0 | 111.3 | E899 | F896-E899 HydrophobicContact CD1-CG 3.74Å; F896-E899 HydrophobicContact CE1-CG 3.55Å; F896-E899 WeakPolarHBondContact CE1-OE1 3.3Å | ||
| 897 | T | 26.2 | Very low | 33.8 | Very low | 124 Ų | 124 | 148.7 Ų | 148.7 | 76% | 0.761 | 72% | 0.72 | S | S | * | * | trans | -91.2 | 135.7 | 152.5 | 34.2 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 898 | S | 25.9 | Very low | 35.6 | Very low | 115 Ų | 115 | 142.9 Ų | 142.9 | 80% | 0.804 | 70% | 0.698 | S | S | * | * | trans | 73.1 | 69.8 | 166.9 | -37.8 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 899 | E | 27.7 | Very low | 37.7 | Very low | 154 Ų | 154 | 133.9 Ų | 133.9 | 72% | 0.72 | 67% | 0.666 | S | S | * | * | trans | -94.7 | 105.6 | 156.1 | -87.5 | -172.1 | 159.5 | 0 | 0 | 110.6 | F896 | F896-E899 HydrophobicContact CD1-CG 3.74Å; F896-E899 HydrophobicContact CE1-CG 3.55Å; F896-E899 WeakPolarHBondContact CE1-OE1 3.3Å | ||
| 900 | T | 27.3 | Very low | 40 | Very low | 115 Ų | 115 | 134.7 Ų | 134.7 | 71% | 0.706 | 67% | 0.671 | S | S | * | * | trans | -39.5 | 131.6 | 158.6 | 41.9 | 0 | 0 | 0 | 0 | 111.3 | V902 | T900-V902 PolarHBondContact O-N 2.92Š| ||
| 901 | K | 30.3 | Very low | 42.5 | Very low | 212 Ų | 212 | 131.2 Ų | 131.2 | 92% | 0.922 | 66% | 0.657 | S | S | * | * | trans | -52.3 | 89.8 | 160.6 | -75.3 | 175.6 | 174.4 | 175.6 | 0 | 108.8 | D903 | K901-D903 PolarHBondContact O-N 3.26Š| ||
| 902 | V | 29.2 | Very low | 44.9 | Very low | 79 Ų | 79 | 132.2 Ų | 132.2 | 48% | 0.479 | 66% | 0.657 | S | S | . | * | trans | -76.5 | 120.7 | 165.7 | 178.9 | 0 | 0 | 0 | 0 | 105.6 | T900 H904 | T900-V902 PolarHBondContact O-N 2.92Å; V902-H904 VanDerWaalsContact C-N 3.33Å; V902-H904 PolarHBondContact O-CD2 3.32Å; V902-H904 PolarHBondContact O-N 2.91Å | ||
| 903 | D | 34.5 | Very low | 47.6 | Very low | 135 Ų | 135 | 128.6 Ų | 128.6 | 72% | 0.722 | 64% | 0.643 | S | S | * | * | trans | -56.4 | 94.8 | 173.6 | -92.9 | -34.7 | 0 | 0 | 0 | 109.7 | K901 K905 Q906 | K901-D903 PolarHBondContact O-N 3.26Å; D903-K905 PolarHBondContact O-N 3.44Å; D903-Q906 PolarHBondContact O-N 3.32Å | ||
| 904 | H | 45.3 | Very low | 50.4 | Low | 122 Ų | 122 | 122 Ų | 122 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -61 | -6.1 | -175.3 | -78.9 | -67.9 | 0 | 0 | 0 | 114.7 | V902 Q906 L907 | V902-H904 VanDerWaalsContact C-N 3.33Å; V902-H904 PolarHBondContact O-CD2 3.32Å; V902-H904 PolarHBondContact O-N 2.91Å; H904-Q906 PolarHBondContact O-N 3.43Å; H904-Q906 VanDerWaalsContact O-N 3.1Å; H904-L907 WeakPolarHBondContact ND1-CD1 3.25Å; H904-L907 PolarHBondContact O-N 2.88Å |
| 905 | K | 45.5 | Very low | 53.2 | Low | 192 Ų | 192 | 120.4 Ų | 120.4 | 84% | 0.835 | 59% | 0.589 | S | S | * | * | G | 310 helix | trans | -58.5 | -18.5 | 169.1 | -90.7 | 177.9 | 177.4 | 171.6 | 0 | 113.7 | D903 | D903-K905 PolarHBondContact O-N 3.44Š|
| 906 | Q | 47 | Very low | 56.3 | Low | 171 Ų | 171 | 117.7 Ų | 117.7 | 80% | 0.799 | 58% | 0.579 | S | S | * | * | G | 310 helix | trans | -88.2 | -4.9 | -178.7 | -72.4 | -172.3 | -10.3 | 0 | 0 | 115.9 | D903 H904 | D903-Q906 PolarHBondContact O-N 3.32Å; H904-Q906 PolarHBondContact O-N 3.43Å; H904-Q906 VanDerWaalsContact O-N 3.1Å |
| 907 | L | 60.2 | Low | 59.2 | Low | 71 Ų | 71 | 110.2 Ų | 110.2 | 37% | 0.372 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -96.5 | 5 | -174.2 | -82.5 | 139 | 0 | 0 | 0 | 115.4 | H904 L1570 | H904-L907 WeakPolarHBondContact ND1-CD1 3.25Å; H904-L907 PolarHBondContact O-N 2.88Å; L907-L1570 HydrophobicContact CD2-CD1 3.59Å |
| 908 | R | 71.7 | Confident | 62.4 | Low | 92 Ų | 92 | 104.3 Ų | 104.3 | 35% | 0.347 | 51% | 0.51 | S | S | . | . | B | Isolated β-bridge | trans | -92.4 | 132.5 | 174.6 | -84.1 | 179.3 | 155.3 | -157 | -6.7 | 111.2 | Q910 R1564 G1565 G1611 | R908-Q910 PolarHBondContact O-N 3.22Å; R908-R1564 PolarHBondContact NE-O 3.25Å; R908-R1564 PolarHBondContact NH2-O 3.21Å; R908-G1565 WeakPolarHBondContact CA-O 3.17Å; R908-G1611 VanDerWaalsContact CZ-O 3.25Å; R908-G1611 PolarHBondContact NE-O 3.35Å; R908-G1611 PolarHBondContact NH2-O 3.49Å |
| 909 | N | 77.4 | Confident | 65.6 | Low | 20 Ų | 20 | 101.5 Ų | 101.5 | 11% | 0.107 | 48% | 0.483 | C | S | . | . | trans | -61.6 | 130.2 | 171.5 | -74.4 | -28.2 | 0 | 0 | 0 | 109.6 | L913 F914 Q917 G1565 H1567 | N909-L913 HydrophobicContact CB-CD2 4.33Å; N909-L913 WeakPolarHBondContact OD1-CD2 3.02Å; N909-F914 HydrophobicContact CB-CB 4.33Å; N909-F914 WeakPolarHBondContact O-CB 3.06Å; N909-Q917 PolarHBondContact ND2-OE1 3.1Å; N909-G1565 PolarHBondContact N-O 3.34Å; N909-H1567 PolarHBondContact OD1-CD2 3.15Å | ||
| 910 | Q | 79.5 | Confident | 68.7 | Low | 153 Ų | 153 | 100 Ų | 100 | 72% | 0.715 | 47% | 0.472 | S | S | * | . | trans | -121 | 165.6 | 176.9 | -62.8 | -168.9 | 16.5 | 0 | 0 | 111.5 | R908 | R908-Q910 PolarHBondContact O-N 3.22Š| ||
| 911 | G | 84.2 | Confident | 71.9 | Confident | 38 Ų | 38 | 94.7 Ų | 94.7 | 39% | 0.392 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | 65.5 | -136.5 | 174.9 | 0 | 0 | 0 | 0 | 0 | 114.1 | F914 Y915 | G911-F914 PolarHBondContact O-N 3.15Å; G911-Y915 WeakPolarHBondContact O-CD2 3.45Å; G911-Y915 PolarHBondContact O-N 3.04Å |
| 912 | F | 85.2 | Confident | 74.9 | Confident | 160 Ų | 160 | 84.6 Ų | 84.6 | 70% | 0.702 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -67.5 | -36.5 | -175.6 | -177.1 | -99.1 | 0 | 0 | 0 | 113.1 | F914 Y915 R916 | F912-F914 VanDerWaalsContact C-N 3.25Å; F912-F914 PolarHBondContact O-N 3.17Å; F912-Y915 PolarHBondContact O-N 3.08Å; F912-R916 PolarHBondContact O-N 2.66Å |
| 913 | L | 86.9 | Confident | 77.9 | Confident | 90 Ų | 90 | 82.6 Ų | 82.6 | 47% | 0.471 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -60 | -41.1 | 179.6 | -145.8 | 101.9 | 0 | 0 | 0 | 110.8 | N909 R916 Q917 | N909-L913 HydrophobicContact CB-CD2 4.33Å; N909-L913 WeakPolarHBondContact OD1-CD2 3.02Å; L913-R916 PolarHBondContact O-N 2.76Å; L913-Q917 WeakPolarHBondContact O-CB 3.3Å; L913-Q917 PolarHBondContact O-N 2.92Å |
| 914 | F | 87.5 | Confident | 80.7 | Confident | 24 Ų | 24 | 77.5 Ų | 77.5 | 11% | 0.105 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -62.9 | -41.6 | 173.8 | -178.5 | -130.5 | 0 | 0 | 0 | 112.7 | N909 G911 F912 Q917 Q918 L1563 | N909-F914 HydrophobicContact CB-CB 4.33Å; N909-F914 WeakPolarHBondContact O-CB 3.06Å; G911-F914 PolarHBondContact O-N 3.15Å; F912-F914 VanDerWaalsContact C-N 3.25Å; F912-F914 PolarHBondContact O-N 3.17Å; F914-Q917 WeakPolarHBondContact O-CB 3.26Å; F914-Q917 PolarHBondContact O-N 3.39Å; F914-Q918 HydrophobicContact CD2-CG 4.24Å; F914-Q918 HydrophobicContact CE2-CG 3.88Å; F914-Q918 HydrophobicContact CZ-CG 4.08Å; F914-Q918 WeakPolarHBondContact O-CG 3.41Å; F914-Q918 PolarHBondContact O-N 2.88Å; F914-L1563 VanDerWaalsContact CE2-O 3.27Å; F914-L1563 WeakPolarHBondContact CE2-O 3.38Å; F914-L1563 VanDerWaalsContact CZ-O 3.22Å; F914-L1563 WeakPolarHBondContact CZ-O 3.24Å |
| 915 | Y | 90 | Very high | 83 | Confident | 76 Ų | 76 | 72 Ų | 72 | 30% | 0.298 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.6 | -39 | 176.3 | -58.7 | -25.6 | 0 | 0 | 0 | 112.3 | G911 F912 Q917 Q918 F919 K1182 L1185 | G911-Y915 WeakPolarHBondContact O-CD2 3.45Å; G911-Y915 PolarHBondContact O-N 3.04Å; F912-Y915 PolarHBondContact O-N 3.08Å; Y915-Q917 VanDerWaalsContact C-N 3.33Å; Y915-Q918 PolarHBondContact O-N 3.38Å; Y915-F919 WeakPolarHBondContact O-CB 3.5Å; Y915-F919 PolarHBondContact O-N 3.31Å; Y915-K1182 HydrophobicContact CD1-CD 4.25Å; Y915-K1182 HydrophobicContact CE1-CD 3.82Å; Y915-K1182 VanDerWaalsContact OH-CE 3.27Å; Y915-K1182 WeakPolarHBondContact OH-CE 3.4Å; Y915-K1182 PolarHBondContact OH-NZ 3.28Å; Y915-L1185 HydrophobicContact CD1-CD1 3.9Å; Y915-L1185 HydrophobicContact CG-CD1 3.99Å |
| 916 | R | 91.2 | Very high | 85.1 | Confident | 167 Ų | 167 | 63.2 Ų | 63.2 | 63% | 0.63 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -61.5 | -44 | 173.4 | -165.6 | -178 | 85.3 | 159 | 4.5 | 110.9 | F912 L913 F919 Y920 | F912-R916 PolarHBondContact O-N 2.66Å; L913-R916 PolarHBondContact O-N 2.76Å; R916-F919 PolarHBondContact O-N 3Å; R916-Y920 WeakPolarHBondContact O-CB 3.28Å; R916-Y920 PolarHBondContact O-N 3.45Å |
| 917 | Q | 91.4 | Very high | 87.2 | Confident | 5 Ų | 5 | 60.6 Ų | 60.6 | 2% | 0.023 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -63.2 | -45.9 | 178 | -166.2 | 179.4 | 15.5 | 0 | 0 | 111.9 | N909 L913 F914 Y915 F919 Y920 A921 R1562 V1566 E1568 | N909-Q917 PolarHBondContact ND2-OE1 3.1Å; L913-Q917 WeakPolarHBondContact O-CB 3.3Å; L913-Q917 PolarHBondContact O-N 2.92Å; F914-Q917 WeakPolarHBondContact O-CB 3.26Å; F914-Q917 PolarHBondContact O-N 3.39Å; Y915-Q917 VanDerWaalsContact C-N 3.33Å; Q917-F919 PolarHBondContact O-N 3.05Å; Q917-Y920 PolarHBondContact O-N 3.35Å; Q917-A921 WeakPolarHBondContact O-CB 3.39Å; Q917-A921 PolarHBondContact O-N 3.14Å; Q917-R1562 HydrophobicContact CG-CB 4.11Å; Q917-R1562 HydrophobicContact CG-CG 4.19Å; Q917-V1566 PolarHBondContact NE2-O 3.19Å; Q917-E1568 PolarHBondContact NE2-OE1 2.91Å; Q917-E1568 PolarHBondContact NE2-OE2 3.36Å |
| 918 | Q | 92.4 | Very high | 88.6 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -60.4 | -45.2 | 174.9 | -73.8 | -169.7 | -23.2 | 0 | 0 | 112 | F914 Y915 A921 L922 G1180 L1563 | F914-Q918 HydrophobicContact CD2-CG 4.24Å; F914-Q918 HydrophobicContact CE2-CG 3.88Å; F914-Q918 HydrophobicContact CZ-CG 4.08Å; F914-Q918 WeakPolarHBondContact O-CG 3.41Å; F914-Q918 PolarHBondContact O-N 2.88Å; Y915-Q918 PolarHBondContact O-N 3.38Å; Q918-A921 PolarHBondContact O-N 3.39Å; Q918-L922 VanDerWaalsContact O-CG 3.3Å; Q918-L922 WeakPolarHBondContact O-CG 3.39Å; Q918-L922 PolarHBondContact O-N 2.5Å; Q918-G1180 PolarHBondContact NE2-O 3.02Å; Q918-L1563 HydrophobicContact CB-CD2 4.47Å; Q918-L1563 HydrophobicContact CG-CD2 4.32Å; Q918-L1563 PolarHBondContact NE2-O 2.72Å; Q918-L1563 VanDerWaalsContact NE2-O 3.12Å |
| 919 | F | 93.3 | Very high | 89.4 | Confident | 55 Ų | 55 | 55 Ų | 55 | 24% | 0.241 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -61 | -48.2 | 177.9 | -174.4 | -102.5 | 0 | 0 | 0 | 111.7 | Y915 R916 Q917 A921 L922 M923 L1185 I1188 M1192 | Y915-F919 WeakPolarHBondContact O-CB 3.5Å; Y915-F919 PolarHBondContact O-N 3.31Å; R916-F919 PolarHBondContact O-N 3Å; Q917-F919 PolarHBondContact O-N 3.05Å; F919-A921 VanDerWaalsContact C-N 3.32Å; F919-A921 PolarHBondContact O-N 2.78Å; F919-L922 PolarHBondContact O-N 3.25Å; F919-M923 HydrophobicContact CD1-CG 4.18Å; F919-M923 HydrophobicContact CE1-CE 4.48Å; F919-M923 HydrophobicContact CE1-CG 3.77Å; F919-M923 HydrophobicContact CE2-CG 4.41Å; F919-M923 HydrophobicContact CZ-CE 4.25Å; F919-M923 HydrophobicContact CZ-CG 3.9Å; F919-M923 HydrophobicContact CZ-SD 4.27Å; F919-M923 WeakPolarHBondContact O-CG 3.42Å; F919-M923 PolarHBondContact O-N 3.18Å; F919-L1185 HydrophobicContact CB-CD2 3.82Å; F919-L1185 HydrophobicContact CD2-CD2 4.02Å; F919-L1185 HydrophobicContact CG-CD2 4.35Å; F919-I1188 HydrophobicContact CE2-CG2 4.06Å; F919-M1192 HydrophobicContact CZ-SD 3.89Å |
| 920 | Y | 93.2 | Very high | 89.9 | Confident | 124 Ų | 124 | 55.2 Ų | 55.2 | 49% | 0.486 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 177.7 | 178.1 | -108.9 | 0 | 0 | 0 | 112 | R916 Q917 M923 T924 | R916-Y920 WeakPolarHBondContact O-CB 3.28Å; R916-Y920 PolarHBondContact O-N 3.45Å; Q917-Y920 PolarHBondContact O-N 3.35Å; Y920-M923 PolarHBondContact O-N 2.85Å; Y920-T924 WeakPolarHBondContact O-CB 3.36Å; Y920-T924 PolarHBondContact O-N 3.09Å; Y920-T924 PolarHBondContact O-OG1 3.48Å |
| 921 | A | 92.9 | Very high | 90.3 | Very high | 2 Ų | 2 | 54 Ų | 54 | 2% | 0.017 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.6 | -43.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q917 Q918 F919 T924 K925 L1559 R1562 L1563 | Q917-A921 WeakPolarHBondContact O-CB 3.39Å; Q917-A921 PolarHBondContact O-N 3.14Å; Q918-A921 PolarHBondContact O-N 3.39Å; F919-A921 VanDerWaalsContact C-N 3.32Å; F919-A921 PolarHBondContact O-N 2.78Å; A921-T924 PolarHBondContact O-N 2.94Å; A921-K925 WeakPolarHBondContact O-CB 2.99Å; A921-K925 PolarHBondContact O-N 3.3Å; A921-L1559 HydrophobicContact CB-CD1 4.03Å; A921-R1562 HydrophobicContact CB-CB 3.63Å; A921-R1562 HydrophobicContact CB-CG 4.35Å; A921-L1563 HydrophobicContact CB-CD2 4.39Å |
| 922 | L | 93.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 56.4 Ų | 56.4 | 1% | 0.005 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -66.3 | -39.1 | 177.9 | -69.6 | 167.1 | 0 | 0 | 0 | 112.3 | Q918 F919 K925 R926 V1181 Y1186 S1189 L1563 | Q918-L922 VanDerWaalsContact O-CG 3.3Å; Q918-L922 WeakPolarHBondContact O-CG 3.39Å; Q918-L922 PolarHBondContact O-N 2.5Å; F919-L922 PolarHBondContact O-N 3.25Å; L922-K925 WeakPolarHBondContact O-CB 3.23Å; L922-R926 PolarHBondContact O-N 3.3Å; L922-V1181 HydrophobicContact CD1-CG1 4.15Å; L922-Y1186 HydrophobicContact CD2-CD2 4.43Å; L922-S1189 WeakPolarHBondContact CB-OG 3.44Å; L922-L1563 HydrophobicContact CG-CD2 4.44Å |
| 923 | M | 93.2 | Very high | 90.3 | Very high | 36 Ų | 36 | 50.4 Ų | 50.4 | 18% | 0.177 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -44.6 | 173.9 | -73.5 | -64.6 | -102 | 0 | 0 | 111.7 | F919 Y920 K925 R926 Y927 S1189 M1192 W1193 | F919-M923 HydrophobicContact CD1-CG 4.18Å; F919-M923 HydrophobicContact CE1-CE 4.48Å; F919-M923 HydrophobicContact CE1-CG 3.77Å; F919-M923 HydrophobicContact CE2-CG 4.41Å; F919-M923 HydrophobicContact CZ-CE 4.25Å; F919-M923 HydrophobicContact CZ-CG 3.9Å; F919-M923 HydrophobicContact CZ-SD 4.27Å; F919-M923 WeakPolarHBondContact O-CG 3.42Å; F919-M923 PolarHBondContact O-N 3.18Å; Y920-M923 PolarHBondContact O-N 2.85Å; M923-K925 VanDerWaalsContact C-N 3.33Å; M923-K925 PolarHBondContact O-N 3.11Å; M923-R926 PolarHBondContact O-N 3.07Å; M923-R926 VanDerWaalsContact O-N 3.09Å; M923-Y927 PolarHBondContact O-N 3.25Å; M923-S1189 PolarHBondContact N-OG 3.46Å; M923-S1189 PolarHBondContact SD-OG 3.42Å; M923-M1192 HydrophobicContact CE-CB 4.22Å; M923-W1193 HydrophobicContact CE-CE3 3.84Å; M923-W1193 HydrophobicContact SD-CB 4.24Å; M923-W1193 HydrophobicContact SD-CE3 3.99Å |
| 924 | T | 92.5 | Very high | 90.1 | Very high | 28 Ų | 28 | 50.3 Ų | 50.3 | 17% | 0.172 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -60.9 | -42.6 | 177.7 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | Y920 A921 R926 Y927 I928 | Y920-T924 WeakPolarHBondContact O-CB 3.36Å; Y920-T924 PolarHBondContact O-N 3.09Å; Y920-T924 PolarHBondContact O-OG1 3.48Å; A921-T924 PolarHBondContact O-N 2.94Å; T924-R926 VanDerWaalsContact C-N 3.29Å; T924-R926 PolarHBondContact O-N 3.37Å; T924-Y927 PolarHBondContact O-N 2.82Å; T924-I928 HydrophobicContact CG2-CD1 3.93Å; T924-I928 HydrophobicContact CG2-CG1 4.43Å; T924-I928 WeakPolarHBondContact O-CG1 3.26Å; T924-I928 PolarHBondContact O-N 3.28Å |
| 925 | K | 93.1 | Very high | 89.5 | Confident | 8 Ų | 8 | 56.2 Ų | 56.2 | 4% | 0.035 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54 | -46.8 | 173 | 173.5 | -167 | 68.1 | 173 | 0 | 111.3 | A921 L922 M923 F929 F1163 E1167 L1548 L1551 L1559 | A921-K925 WeakPolarHBondContact O-CB 2.99Å; A921-K925 PolarHBondContact O-N 3.3Å; L922-K925 WeakPolarHBondContact O-CB 3.23Å; M923-K925 VanDerWaalsContact C-N 3.33Å; M923-K925 PolarHBondContact O-N 3.11Å; K925-F929 PolarHBondContact O-N 3.37Å; K925-F929 VanDerWaalsContact O-N 3.09Å; K925-F1163 HydrophobicContact CD-CZ 4.43Å; K925-E1167 WeakPolarHBondContact CE-OE1 3.49Å; K925-E1167 IonicContact NZ-OE1 3.37Å; K925-E1167 PolarHBondContact NZ-OE1 3.42Å; K925-E1167 IonicContact NZ-OE2 3.05Å; K925-L1548 HydrophobicContact CD-CD1 3.88Å; K925-L1548 HydrophobicContact CG-CD1 4.25Å; K925-L1551 HydrophobicContact CG-CD1 4.38Å; K925-L1559 HydrophobicContact CB-CD1 4.18Å; K925-L1559 HydrophobicContact CB-CD2 4.42Å; K925-L1559 HydrophobicContact CD-CD2 3.9Å; K925-L1559 HydrophobicContact CG-CD2 4.19Å |
| 926 | R | 90.3 | Very high | 89.1 | Confident | 7 Ų | 7 | 54.7 Ų | 54.7 | 3% | 0.026 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -66.8 | -44.2 | 179.5 | -74.6 | -159.9 | 159.2 | -135.2 | -4 | 112.2 | L922 M923 T924 I928 F929 T930 F1163 I1190 W1193 D1194 | L922-R926 PolarHBondContact O-N 3.3Å; M923-R926 PolarHBondContact O-N 3.07Å; M923-R926 VanDerWaalsContact O-N 3.09Å; T924-R926 VanDerWaalsContact C-N 3.29Å; T924-R926 PolarHBondContact O-N 3.37Å; R926-I928 PolarHBondContact O-N 3.26Å; R926-F929 PolarHBondContact O-N 2.71Å; R926-T930 WeakPolarHBondContact O-CB 3.46Å; R926-T930 PolarHBondContact O-N 3.21Å; R926-T930 PolarHBondContact O-OG1 3.04Å; R926-T930 VanDerWaalsContact O-OG1 3.07Å; R926-F1163 HydrophobicContact CG-CZ 4.48Å; R926-I1190 VanDerWaalsContact CZ-CG1 3.45Å; R926-I1190 PolarHBondContact NH1-O 3.41Å; R926-I1190 VanDerWaalsContact NH2-CD1 3.3Å; R926-W1193 HydrophobicContact CB-CB 4.48Å; R926-W1193 HydrophobicContact CB-CD2 4.03Å; R926-W1193 HydrophobicContact CB-CG 3.85Å; R926-D1194 IonicContact CZ-OD1 2.84Å; R926-D1194 IonicContact NH1-OD1 3.43Å; R926-D1194 PolarHBondContact NH1-OD1 2.88Å; R926-D1194 IonicContact NH1-OD2 3.33Å; R926-D1194 PolarHBondContact NH1-OD2 3.24Å; R926-D1194 VanDerWaalsContact NH1-OD2 3.11Å |
| 927 | Y | 91.3 | Very high | 88.7 | Confident | 116 Ų | 116 | 47.7 Ų | 47.7 | 46% | 0.455 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.3 | -48.7 | 174.3 | 172.4 | -107.1 | 0 | 0 | 0 | 112.5 | M923 T924 F929 T930 K931 W1193 | M923-Y927 PolarHBondContact O-N 3.25Å; T924-Y927 PolarHBondContact O-N 2.82Å; Y927-F929 VanDerWaalsContact C-N 3.33Å; Y927-F929 PolarHBondContact O-N 3.01Å; Y927-T930 PolarHBondContact O-N 3.49Å; Y927-K931 HydrophobicContact CE1-CD 4.29Å; Y927-K931 WeakPolarHBondContact O-CB 3.29Å; Y927-K931 PolarHBondContact O-N 3.48Å; Y927-W1193 VanDerWaalsContact CA-CZ2 3.5Å; Y927-W1193 AromaticContact CD2-CH2 3.7Å; Y927-W1193 HydrophobicContact CD2-CH2 3.7Å; Y927-W1193 HydrophobicContact CD2-CZ2 4.03Å; Y927-W1193 HydrophobicContact CG-CH2 4.13Å; Y927-W1193 HydrophobicContact CG-CZ2 4.48Å |
| 928 | I | 90.6 | Very high | 88.4 | Confident | 22 Ų | 22 | 52.8 Ų | 52.8 | 11% | 0.113 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -43 | 179.2 | -65.3 | 164.9 | 0 | 0 | 0 | 110.8 | T924 R926 K931 R932 L1551 E1555 | T924-I928 HydrophobicContact CG2-CD1 3.93Å; T924-I928 HydrophobicContact CG2-CG1 4.43Å; T924-I928 WeakPolarHBondContact O-CG1 3.26Å; T924-I928 PolarHBondContact O-N 3.28Å; R926-I928 PolarHBondContact O-N 3.26Å; I928-K931 PolarHBondContact O-N 3.41Å; I928-R932 WeakPolarHBondContact O-CB 3.42Å; I928-R932 WeakPolarHBondContact O-CG 3.35Å; I928-R932 PolarHBondContact O-N 3.25Å; I928-L1551 HydrophobicContact CB-CD2 4.16Å; I928-L1551 HydrophobicContact CD1-CD2 3.92Å; I928-L1551 HydrophobicContact CG2-CD2 3.77Å; I928-E1555 HydrophobicContact CD1-CB 4.49Å; I928-E1555 HydrophobicContact CD1-CG 4.19Å |
| 929 | F | 87.9 | Confident | 87.9 | Confident | 22 Ų | 22 | 54 Ų | 54 | 10% | 0.096 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -60.9 | -47.9 | 176.6 | 179.2 | -90.2 | 0 | 0 | 0 | 111.8 | K925 R926 Y927 R932 N933 F1162 F1163 Y1166 Y1550 | K925-F929 PolarHBondContact O-N 3.37Å; K925-F929 VanDerWaalsContact O-N 3.09Å; R926-F929 PolarHBondContact O-N 2.71Å; Y927-F929 VanDerWaalsContact C-N 3.33Å; Y927-F929 PolarHBondContact O-N 3.01Å; F929-R932 PolarHBondContact O-N 3.48Å; F929-N933 WeakPolarHBondContact CE2-ND2 3.27Å; F929-N933 VanDerWaalsContact CZ-ND2 3.27Å; F929-N933 WeakPolarHBondContact CZ-ND2 3.38Å; F929-N933 PolarHBondContact O-N 3.22Å; F929-F1162 HydrophobicContact CZ-CE1 4.21Å; F929-F1163 HydrophobicContact CB-CE2 4.16Å; F929-F1163 AromaticContact CD1-CD2 3.8Å; F929-F1163 HydrophobicContact CD1-CD2 3.8Å; F929-F1163 AromaticContact CD1-CE2 3.99Å; F929-F1163 HydrophobicContact CD1-CE2 3.99Å; F929-F1163 HydrophobicContact CD2-CD2 4.21Å; F929-F1163 AromaticContact CD2-CE2 3.91Å; F929-F1163 HydrophobicContact CD2-CE2 3.91Å; F929-F1163 AromaticContact CE1-CD2 3.81Å; F929-F1163 HydrophobicContact CE1-CD2 3.81Å; F929-F1163 HydrophobicContact CE1-CE2 4.39Å; F929-F1163 HydrophobicContact CE2-CD2 4.19Å; F929-F1163 HydrophobicContact CE2-CE2 4.28Å; F929-F1163 HydrophobicContact CG-CD2 4.01Å; F929-F1163 AromaticContact CG-CE2 3.74Å; F929-F1163 HydrophobicContact CG-CE2 3.74Å; F929-F1163 HydrophobicContact CZ-CD2 4.01Å; F929-Y1166 HydrophobicContact CE2-CE1 4.39Å; F929-Y1550 AromaticContact CD2-CD2 3.77Å; F929-Y1550 HydrophobicContact CD2-CD2 3.77Å; F929-Y1550 HydrophobicContact CD2-CE2 4.45Å; F929-Y1550 HydrophobicContact CD2-CG 4.16Å; F929-Y1550 AromaticContact CE2-CD2 3.45Å; F929-Y1550 HydrophobicContact CE2-CD2 3.45Å; F929-Y1550 VanDerWaalsContact CE2-CD2 3.45Å; F929-Y1550 AromaticContact CE2-CE2 3.7Å; F929-Y1550 HydrophobicContact CE2-CE2 3.7Å; F929-Y1550 HydrophobicContact CE2-CG 4.18Å |
| 930 | T | 87.1 | Confident | 87.7 | Confident | 26 Ų | 26 | 51.7 Ų | 51.7 | 16% | 0.16 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.3 | -45.4 | 177.5 | -62.2 | 0 | 0 | 0 | 0 | 111.3 | R926 Y927 R932 N933 V937 W1193 I1197 | R926-T930 WeakPolarHBondContact O-CB 3.46Å; R926-T930 PolarHBondContact O-N 3.21Å; R926-T930 PolarHBondContact O-OG1 3.04Å; R926-T930 VanDerWaalsContact O-OG1 3.07Å; Y927-T930 PolarHBondContact O-N 3.49Å; T930-R932 VanDerWaalsContact C-N 3.33Å; T930-R932 PolarHBondContact O-N 3.4Å; T930-N933 CarbonylContact O-C 3.53Å; T930-N933 PolarHBondContact O-N 3.4Å; T930-V937 HydrophobicContact CG2-CG1 4.45Å; T930-V937 HydrophobicContact CG2-CG2 3.52Å; T930-W1193 PolarHBondContact OG1-NE1 2.88Å; T930-I1197 HydrophobicContact CG2-CD1 4.02Å |
| 931 | K | 88.6 | Confident | 87.4 | Confident | 127 Ų | 127 | 47.5 Ų | 47.5 | 55% | 0.552 | 23% | 0.226 | S | C | * | . | H | α-helix | trans | -63.3 | -34.9 | 178.5 | -176.7 | 179.1 | 179.2 | 177.5 | 0 | 113 | Y927 I928 L934 | Y927-K931 HydrophobicContact CE1-CD 4.29Å; Y927-K931 WeakPolarHBondContact O-CB 3.29Å; Y927-K931 PolarHBondContact O-N 3.48Å; I928-K931 PolarHBondContact O-N 3.41Å; K931-L934 WeakPolarHBondContact O-CG 3.48Å |
| 932 | R | 86.2 | Confident | 87.1 | Confident | 89 Ų | 89 | 52.2 Ų | 52.2 | 34% | 0.336 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -85.9 | -27.6 | -178.7 | -72.6 | -179.2 | 171 | 151.1 | 13.1 | 113.5 | I928 F929 T930 Y1550 E1555 | I928-R932 WeakPolarHBondContact O-CB 3.42Å; I928-R932 WeakPolarHBondContact O-CG 3.35Å; I928-R932 PolarHBondContact O-N 3.25Å; F929-R932 PolarHBondContact O-N 3.48Å; T930-R932 VanDerWaalsContact C-N 3.33Å; T930-R932 PolarHBondContact O-N 3.4Å; R932-Y1550 WeakPolarHBondContact CD-O 3.44Å; R932-Y1550 PolarHBondContact NH1-O 3.01Å; R932-E1555 IonicContact CZ-OE1 3.73Å; R932-E1555 IonicContact CZ-OE2 3.01Å; R932-E1555 VanDerWaalsContact CZ-OE2 3.29Å; R932-E1555 IonicContact NH1-OE1 2.68Å; R932-E1555 IonicContact NH1-OE2 3.27Å; R932-E1555 PolarHBondContact NH1-OE2 3.42Å; R932-E1555 VanDerWaalsContact NH2-CD 3.3Å; R932-E1555 IonicContact NH2-OE1 2.92Å; R932-E1555 PolarHBondContact NH2-OE1 3.23Å; R932-E1555 IonicContact NH2-OE2 3.92Å; R932-E1555 PolarHBondContact NH2-OE2 3.23Å |
| 933 | N | 82.6 | Confident | 86.6 | Confident | 33 Ų | 33 | 53.9 Ų | 53.9 | 18% | 0.176 | 26% | 0.26 | C | S | . | . | trans | -102.1 | 49.3 | 174.5 | -77.1 | -41 | 0 | 0 | 0 | 112 | F929 T930 I935 F936 V937 Y1550 | F929-N933 WeakPolarHBondContact CE2-ND2 3.27Å; F929-N933 VanDerWaalsContact CZ-ND2 3.27Å; F929-N933 WeakPolarHBondContact CZ-ND2 3.38Å; F929-N933 PolarHBondContact O-N 3.22Å; T930-N933 CarbonylContact O-C 3.53Å; T930-N933 PolarHBondContact O-N 3.4Å; N933-I935 PolarHBondContact O-N 3.32Å; N933-F936 HydrophobicContact CB-CB 4.31Å; N933-F936 WeakPolarHBondContact O-CB 3.12Å; N933-F936 PolarHBondContact O-N 3.05Å; N933-V937 PolarHBondContact O-N 2.81Å; N933-Y1550 VanDerWaalsContact ND2-CE1 3.35Å; N933-Y1550 WeakPolarHBondContact ND2-CE1 3.39Å; N933-Y1550 WeakPolarHBondContact OD1-CE1 3.45Å | ||
| 934 | L | 82.2 | Confident | 86.2 | Confident | 88 Ų | 88 | 52.2 Ų | 52.2 | 46% | 0.461 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -55.3 | -36.9 | -179.9 | -84.4 | 164.6 | 0 | 0 | 0 | 113 | K931 F936 V937 F938 | K931-L934 WeakPolarHBondContact O-CG 3.48Å; L934-F936 PolarHBondContact O-N 3.11Å; L934-V937 PolarHBondContact O-N 3.43Å; L934-F938 HydrophobicContact CB-CD2 4.09Å; L934-F938 HydrophobicContact CB-CE2 3.95Å; L934-F938 HydrophobicContact CD2-CE2 4.05Å; L934-F938 HydrophobicContact CD2-CZ 4.48Å; L934-F938 HydrophobicContact CG-CE2 4.46Å; L934-F938 WeakPolarHBondContact O-CB 3.4Å; L934-F938 WeakPolarHBondContact O-CD2 3.4Å; L934-F938 PolarHBondContact O-N 3.26Å |
| 935 | I | 75.9 | Confident | 86 | Confident | 149 Ų | 149 | 53 Ų | 53 | 76% | 0.764 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -57.4 | -39.9 | 177.6 | -63.7 | 169.1 | 0 | 0 | 0 | 111.3 | N933 S939 | N933-I935 PolarHBondContact O-N 3.32Å; I935-S939 PolarHBondContact O-N 3.41Å |
| 936 | F | 81.6 | Confident | 85.5 | Confident | 44 Ų | 44 | 54.7 Ų | 54.7 | 19% | 0.193 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -72.2 | -31.8 | 178.4 | -176.1 | -107.2 | 0 | 0 | 0 | 112.3 | N933 L934 S939 Q940 C1159 F1162 | N933-F936 HydrophobicContact CB-CB 4.31Å; N933-F936 WeakPolarHBondContact O-CB 3.12Å; N933-F936 PolarHBondContact O-N 3.05Å; L934-F936 PolarHBondContact O-N 3.11Å; F936-S939 PolarHBondContact O-OG 3.08Å; F936-Q940 WeakPolarHBondContact O-CG 3.48Å; F936-Q940 PolarHBondContact O-N 3.42Å; F936-C1159 HydrophobicContact CE1-CB 4.49Å; F936-C1159 HydrophobicContact CZ-CB 3.96Å; F936-F1162 HydrophobicContact CE1-CB 4.47Å; F936-F1162 HydrophobicContact CE2-CD2 4.46Å; F936-F1162 HydrophobicContact CE2-CG 4.48Å; F936-F1162 HydrophobicContact CZ-CB 3.88Å; F936-F1162 HydrophobicContact CZ-CD1 4.42Å; F936-F1162 HydrophobicContact CZ-CD2 4.4Å; F936-F1162 AromaticContact CZ-CG 4Å; F936-F1162 HydrophobicContact CZ-CG 4Å |
| 937 | V | 82.9 | Confident | 85.3 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 12% | 0.121 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -73.4 | -43.6 | 174.9 | -176.6 | 0 | 0 | 0 | 0 | 110.3 | T930 N933 L934 S939 Q940 | T930-V937 HydrophobicContact CG2-CG1 4.45Å; T930-V937 HydrophobicContact CG2-CG2 3.52Å; N933-V937 PolarHBondContact O-N 2.81Å; L934-V937 PolarHBondContact O-N 3.43Å; V937-S939 VanDerWaalsContact C-N 3.26Å; V937-S939 PolarHBondContact O-N 3.01Å; V937-Q940 WeakPolarHBondContact O-CB 3.28Å; V937-Q940 PolarHBondContact O-N 3.19Å; V937-Q940 VanDerWaalsContact O-N 3.07Å |
| 938 | F | 84.1 | Confident | 84.9 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 49% | 0.491 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.4 | -37 | 173.7 | -76.3 | -58.9 | 0 | 0 | 0 | 111.5 | L934 Q940 I941 I942 | L934-F938 HydrophobicContact CB-CD2 4.09Å; L934-F938 HydrophobicContact CB-CE2 3.95Å; L934-F938 HydrophobicContact CD2-CE2 4.05Å; L934-F938 HydrophobicContact CD2-CZ 4.48Å; L934-F938 HydrophobicContact CG-CE2 4.46Å; L934-F938 WeakPolarHBondContact O-CB 3.4Å; L934-F938 WeakPolarHBondContact O-CD2 3.4Å; L934-F938 PolarHBondContact O-N 3.26Å; F938-Q940 VanDerWaalsContact C-N 3.26Å; F938-Q940 PolarHBondContact O-N 2.84Å; F938-I941 PolarHBondContact O-N 3.41Å; F938-I942 HydrophobicContact CB-CD1 4.08Å; F938-I942 WeakPolarHBondContact O-CB 3.5Å; F938-I942 WeakPolarHBondContact O-CG1 3.24Å; F938-I942 PolarHBondContact O-N 3.34Å |
| 939 | S | 83.2 | Confident | 84.6 | Confident | 25 Ų | 25 | 53.8 Ų | 53.8 | 18% | 0.175 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -30.9 | 175.6 | 77.7 | 0 | 0 | 0 | 0 | 112.7 | I935 F936 V937 I941 V943 Y1155 | I935-S939 PolarHBondContact O-N 3.41Å; F936-S939 PolarHBondContact O-OG 3.08Å; V937-S939 VanDerWaalsContact C-N 3.26Å; V937-S939 PolarHBondContact O-N 3.01Å; S939-I941 PolarHBondContact O-N 3.5Å; S939-V943 VanDerWaalsContact O-CB 3.25Å; S939-V943 WeakPolarHBondContact O-CB 3.41Å; S939-V943 VanDerWaalsContact O-CG2 3.3Å; S939-V943 WeakPolarHBondContact O-CG2 3.28Å; S939-V943 PolarHBondContact O-N 3.18Å; S939-V943 VanDerWaalsContact O-N 3.13Å; S939-Y1155 PolarHBondContact OG-OH 3.18Å |
| 940 | Q | 87.9 | Confident | 84.3 | Confident | 7 Ų | 7 | 56 Ų | 56 | 3% | 0.033 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.4 | -15.9 | 174.8 | -65.8 | 162.9 | 0.7 | 0 | 0 | 113.3 | F936 V937 F938 P944 L1156 C1159 S1201 | F936-Q940 WeakPolarHBondContact O-CG 3.48Å; F936-Q940 PolarHBondContact O-N 3.42Å; V937-Q940 WeakPolarHBondContact O-CB 3.28Å; V937-Q940 PolarHBondContact O-N 3.19Å; V937-Q940 VanDerWaalsContact O-N 3.07Å; F938-Q940 VanDerWaalsContact C-N 3.26Å; F938-Q940 PolarHBondContact O-N 2.84Å; Q940-P944 WeakPolarHBondContact O-CD 3.11Å; Q940-P944 VanDerWaalsContact O-CG 3.29Å; Q940-P944 WeakPolarHBondContact O-CG 3.38Å; Q940-L1156 HydrophobicContact CB-CD1 4.04Å; Q940-C1159 HydrophobicContact CG-CB 3.83Å; Q940-S1201 WeakPolarHBondContact O-CB 3.28Å; Q940-S1201 PolarHBondContact O-OG 3.27Å |
| 941 | I | 87.6 | Confident | 84 | Confident | 35 Ų | 35 | 54.9 Ų | 54.9 | 18% | 0.179 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -103.8 | -51.1 | 177.8 | -61.7 | 172.6 | 0 | 0 | 0 | 109.8 | F938 S939 V943 P944 I945 L1200 | F938-I941 PolarHBondContact O-N 3.41Å; S939-I941 PolarHBondContact O-N 3.5Å; I941-V943 PolarHBondContact O-N 3.48Å; I941-P944 WeakPolarHBondContact O-CD 2.92Å; I941-I945 HydrophobicContact CG2-CD1 3.65Å; I941-I945 VanDerWaalsContact O-CG1 3.25Å; I941-I945 WeakPolarHBondContact O-CG1 3.35Å; I941-I945 PolarHBondContact O-N 3.26Å; I941-I945 VanDerWaalsContact O-N 3.11Å; I941-L1200 HydrophobicContact CD1-CD2 3.8Å; I941-L1200 HydrophobicContact CD1-CG 4.15Å |
| 942 | I | 86.1 | Confident | 83.5 | Confident | 101 Ų | 101 | 49.1 Ų | 49.1 | 52% | 0.518 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.9 | -42.9 | -175.7 | -65.9 | 170.6 | 0 | 0 | 0 | 111.6 | F938 I945 A946 | F938-I942 HydrophobicContact CB-CD1 4.08Å; F938-I942 WeakPolarHBondContact O-CB 3.5Å; F938-I942 WeakPolarHBondContact O-CG1 3.24Å; F938-I942 PolarHBondContact O-N 3.34Å; I942-I945 PolarHBondContact O-N 3.07Å; I942-A946 WeakPolarHBondContact O-CB 3.42Å; I942-A946 PolarHBondContact O-N 3.37Å |
| 943 | V | 83.3 | Confident | 83.2 | Confident | 37 Ų | 37 | 50.6 Ų | 50.6 | 22% | 0.224 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -66.3 | -47.8 | -176.5 | 174.1 | 0 | 0 | 0 | 0 | 111.2 | S939 I941 I945 A946 F947 Y1155 | S939-V943 VanDerWaalsContact O-CB 3.25Å; S939-V943 WeakPolarHBondContact O-CB 3.41Å; S939-V943 VanDerWaalsContact O-CG2 3.3Å; S939-V943 WeakPolarHBondContact O-CG2 3.28Å; S939-V943 PolarHBondContact O-N 3.18Å; S939-V943 VanDerWaalsContact O-N 3.13Å; I941-V943 PolarHBondContact O-N 3.48Å; V943-I945 PolarHBondContact O-N 3.42Å; V943-A946 PolarHBondContact O-N 3.44Å; V943-F947 HydrophobicContact CG1-CD2 3.65Å; V943-F947 HydrophobicContact CG1-CE2 3.59Å; V943-F947 WeakPolarHBondContact O-CD2 3.41Å; V943-F947 PolarHBondContact O-N 2.98Å; V943-Y1155 HydrophobicContact CB-CD1 3.9Å; V943-Y1155 HydrophobicContact CB-CE1 3.63Å; V943-Y1155 HydrophobicContact CG1-CD1 3.6Å; V943-Y1155 HydrophobicContact CG1-CE1 3.75Å; V943-Y1155 HydrophobicContact CG1-CG 4.03Å; V943-Y1155 HydrophobicContact CG2-CE1 3.95Å |
| 944 | P | 85.2 | Confident | 82.7 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -59.9 | -39.6 | 172.2 | -28.8 | 38 | 0 | 0 | 0 | 114.4 | Q940 I941 T948 A1152 L1156 I1205 | Q940-P944 WeakPolarHBondContact O-CD 3.11Å; Q940-P944 VanDerWaalsContact O-CG 3.29Å; Q940-P944 WeakPolarHBondContact O-CG 3.38Å; I941-P944 WeakPolarHBondContact O-CD 2.92Å; P944-T948 WeakPolarHBondContact O-CB 3.29Å; P944-T948 VanDerWaalsContact O-CG2 3.23Å; P944-T948 WeakPolarHBondContact O-CG2 3.34Å; P944-T948 PolarHBondContact O-N 3.01Å; P944-T948 PolarHBondContact O-OG1 3.34Å; P944-A1152 HydrophobicContact CB-CB 4.07Å; P944-L1156 HydrophobicContact CG-CB 4.44Å; P944-I1205 HydrophobicContact CB-CD1 3.84Å; P944-I1205 HydrophobicContact CB-CG1 3.94Å |
| 945 | I | 87.3 | Confident | 82.3 | Confident | 46 Ų | 46 | 47.6 Ų | 47.6 | 24% | 0.236 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -60.8 | -46.6 | 173.8 | -69 | 169.6 | 0 | 0 | 0 | 110.4 | I941 I942 V943 F947 T948 L949 | I941-I945 HydrophobicContact CG2-CD1 3.65Å; I941-I945 VanDerWaalsContact O-CG1 3.25Å; I941-I945 WeakPolarHBondContact O-CG1 3.35Å; I941-I945 PolarHBondContact O-N 3.26Å; I941-I945 VanDerWaalsContact O-N 3.11Å; I942-I945 PolarHBondContact O-N 3.07Å; V943-I945 PolarHBondContact O-N 3.42Å; I945-F947 PolarHBondContact O-N 3.33Å; I945-T948 VanDerWaalsContact CA-OG1 3.3Å; I945-T948 WeakPolarHBondContact CA-OG1 3.35Å; I945-T948 PolarHBondContact O-N 3.21Å; I945-T948 PolarHBondContact O-OG1 3.3Å; I945-L949 HydrophobicContact CG2-CD1 3.69Å; I945-L949 HydrophobicContact CG2-CG 4.09Å; I945-L949 WeakPolarHBondContact O-CB 3.32Å; I945-L949 VanDerWaalsContact O-CG 3.23Å; I945-L949 WeakPolarHBondContact O-CG 3.35Å; I945-L949 PolarHBondContact O-N 2.93Å |
| 946 | A | 83.9 | Confident | 82.2 | Confident | 42 Ų | 42 | 45.9 Ų | 45.9 | 35% | 0.347 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.2 | -47.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I942 V943 T948 L949 I950 | I942-A946 WeakPolarHBondContact O-CB 3.42Å; I942-A946 PolarHBondContact O-N 3.37Å; V943-A946 PolarHBondContact O-N 3.44Å; A946-T948 VanDerWaalsContact C-N 3.34Å; A946-T948 PolarHBondContact O-N 3.39Å; A946-L949 PolarHBondContact O-N 3.42Å; A946-I950 WeakPolarHBondContact O-CB 3.33Å; A946-I950 WeakPolarHBondContact O-CD1 3.48Å; A946-I950 WeakPolarHBondContact O-CG1 3.46Å; A946-I950 PolarHBondContact O-N 3.39Å |
| 947 | F | 85 | Confident | 81.6 | Confident | 59 Ų | 59 | 46.7 Ų | 46.7 | 26% | 0.259 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -65.2 | -36.7 | 177.3 | -83.3 | -66.9 | 0 | 0 | 0 | 112.9 | V943 I945 A951 F1151 A1152 | V943-F947 HydrophobicContact CG1-CD2 3.65Å; V943-F947 HydrophobicContact CG1-CE2 3.59Å; V943-F947 WeakPolarHBondContact O-CD2 3.41Å; V943-F947 PolarHBondContact O-N 2.98Å; I945-F947 PolarHBondContact O-N 3.33Å; F947-A951 WeakPolarHBondContact O-CB 3.31Å; F947-A951 PolarHBondContact O-N 3.14Å; F947-F1151 HydrophobicContact CD1-CB 4.48Å; F947-A1152 HydrophobicContact CB-CB 3.98Å |
| 948 | T | 83.8 | Confident | 80.9 | Confident | 0 Ų | 0 | 48.8 Ų | 48.8 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -69.5 | -42.2 | 175.8 | 50.7 | 0 | 0 | 0 | 0 | 111.2 | P944 I945 A946 I950 A951 L952 I1149 I1205 | P944-T948 WeakPolarHBondContact O-CB 3.29Å; P944-T948 VanDerWaalsContact O-CG2 3.23Å; P944-T948 WeakPolarHBondContact O-CG2 3.34Å; P944-T948 PolarHBondContact O-N 3.01Å; P944-T948 PolarHBondContact O-OG1 3.34Å; I945-T948 VanDerWaalsContact CA-OG1 3.3Å; I945-T948 WeakPolarHBondContact CA-OG1 3.35Å; I945-T948 PolarHBondContact O-N 3.21Å; I945-T948 PolarHBondContact O-OG1 3.3Å; A946-T948 VanDerWaalsContact C-N 3.34Å; A946-T948 PolarHBondContact O-N 3.39Å; T948-I950 PolarHBondContact O-N 2.96Å; T948-A951 WeakPolarHBondContact O-CB 3.46Å; T948-A951 PolarHBondContact O-N 2.98Å; T948-A951 VanDerWaalsContact O-N 3.16Å; T948-L952 WeakPolarHBondContact O-CB 3.13Å; T948-L952 VanDerWaalsContact O-CG 3.24Å; T948-L952 WeakPolarHBondContact O-CG 3.3Å; T948-L952 PolarHBondContact O-N 3.46Å; T948-I1149 HydrophobicContact CG2-CG1 4.38Å; T948-I1205 HydrophobicContact CG2-CB 4.43Å; T948-I1205 HydrophobicContact CG2-CG1 4.16Å; T948-I1205 HydrophobicContact CG2-CG2 3.76Å |
| 949 | L | 84.9 | Confident | 79.9 | Confident | 68 Ų | 68 | 46.2 Ų | 46.2 | 36% | 0.356 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61 | -42.5 | 173 | -70.4 | 175.4 | 0 | 0 | 0 | 112.3 | I945 A946 A951 L952 F953 F1212 | I945-L949 HydrophobicContact CG2-CD1 3.69Å; I945-L949 HydrophobicContact CG2-CG 4.09Å; I945-L949 WeakPolarHBondContact O-CB 3.32Å; I945-L949 VanDerWaalsContact O-CG 3.23Å; I945-L949 WeakPolarHBondContact O-CG 3.35Å; I945-L949 PolarHBondContact O-N 2.93Å; A946-L949 PolarHBondContact O-N 3.42Å; L949-A951 VanDerWaalsContact C-N 3.32Å; L949-L952 PolarHBondContact O-N 3.22Å; L949-F953 WeakPolarHBondContact O-CB 3.45Å; L949-F953 PolarHBondContact O-N 3.22Å; L949-F1212 HydrophobicContact CD2-CD2 4.41Å; L949-F1212 HydrophobicContact CD2-CE2 3.29Å; L949-F1212 HydrophobicContact CD2-CZ 3.57Å |
| 950 | I | 81.2 | Confident | 78.6 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 35% | 0.354 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 173.7 | -69.9 | 164.3 | 0 | 0 | 0 | 110 | A946 T948 L952 F953 I954 | A946-I950 WeakPolarHBondContact O-CB 3.33Å; A946-I950 WeakPolarHBondContact O-CD1 3.48Å; A946-I950 WeakPolarHBondContact O-CG1 3.46Å; A946-I950 PolarHBondContact O-N 3.39Å; T948-I950 PolarHBondContact O-N 2.96Å; I950-L952 VanDerWaalsContact C-N 3.33Å; I950-L952 PolarHBondContact O-N 3.1Å; I950-F953 PolarHBondContact O-N 2.62Å; I950-I954 HydrophobicContact CG2-CD1 3.73Å; I950-I954 HydrophobicContact CG2-CG1 4.39Å; I950-I954 VanDerWaalsContact O-CG1 3.28Å; I950-I954 WeakPolarHBondContact O-CG1 3.4Å; I950-I954 PolarHBondContact O-N 3.46Å |
| 951 | A | 79.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 52.7 Ų | 52.7 | 1% | 0.008 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.9 | -46.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F947 T948 L949 I954 F955 L1145 N1148 | F947-A951 WeakPolarHBondContact O-CB 3.31Å; F947-A951 PolarHBondContact O-N 3.14Å; T948-A951 WeakPolarHBondContact O-CB 3.46Å; T948-A951 PolarHBondContact O-N 2.98Å; T948-A951 VanDerWaalsContact O-N 3.16Å; L949-A951 VanDerWaalsContact C-N 3.32Å; A951-I954 PolarHBondContact O-N 3.1Å; A951-F955 WeakPolarHBondContact O-CB 3.39Å; A951-F955 PolarHBondContact O-N 3.34Å; A951-L1145 HydrophobicContact CB-CD1 4.05Å; A951-N1148 HydrophobicContact CB-CB 3.62Å |
| 952 | L | 79.4 | Confident | 75.2 | Confident | 6 Ų | 6 | 55.8 Ų | 55.8 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.4 | -36 | 178.8 | -66.8 | -178.7 | 0 | 0 | 0 | 112.6 | T948 L949 I950 F955 H956 L1145 F1209 F1212 L1214 | T948-L952 WeakPolarHBondContact O-CB 3.13Å; T948-L952 VanDerWaalsContact O-CG 3.24Å; T948-L952 WeakPolarHBondContact O-CG 3.3Å; T948-L952 PolarHBondContact O-N 3.46Å; L949-L952 PolarHBondContact O-N 3.22Å; I950-L952 VanDerWaalsContact C-N 3.33Å; I950-L952 PolarHBondContact O-N 3.1Å; L952-F955 PolarHBondContact O-N 2.9Å; L952-H956 VanDerWaalsContact O-CB 3.26Å; L952-H956 WeakPolarHBondContact O-CB 3.5Å; L952-H956 PolarHBondContact O-N 2.93Å; L952-L1145 HydrophobicContact CD2-CD1 4.24Å; L952-F1209 HydrophobicContact CD1-CD1 4.24Å; L952-F1209 HydrophobicContact CD1-CE1 4.49Å; L952-F1209 HydrophobicContact CD2-CD1 4.13Å; L952-F1209 HydrophobicContact CD2-CE1 4.02Å; L952-F1209 HydrophobicContact CG-CE1 4.47Å; L952-F1212 HydrophobicContact CD1-CB 4.14Å; L952-F1212 HydrophobicContact CD1-CD2 3.57Å; L952-F1212 HydrophobicContact CD1-CE2 4.13Å; L952-F1212 HydrophobicContact CD1-CG 3.84Å; L952-L1214 HydrophobicContact CD1-CD1 4.28Å; L952-L1214 HydrophobicContact CD2-CD1 3.25Å; L952-L1214 HydrophobicContact CD2-CD2 4.26Å; L952-L1214 HydrophobicContact CD2-CG 4.32Å; L952-L1214 HydrophobicContact CG-CD1 4.39Å |
| 953 | F | 78.2 | Confident | 73.6 | Confident | 121 Ų | 121 | 55 Ų | 55 | 53% | 0.531 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -66 | -49 | 174.9 | -178.2 | -96 | 0 | 0 | 0 | 111.4 | L356 L949 I950 F955 H956 H957 | L356-F953 HydrophobicContact CD1-CE1 4.37Å; L949-F953 WeakPolarHBondContact O-CB 3.45Å; L949-F953 PolarHBondContact O-N 3.22Å; I950-F953 PolarHBondContact O-N 2.62Å; F953-F955 VanDerWaalsContact C-N 3.29Å; F953-F955 PolarHBondContact O-N 3.03Å; F953-H956 PolarHBondContact O-N 3.26Å; F953-H957 WeakPolarHBondContact O-CB 3.32Å; F953-H957 PolarHBondContact O-N 2.72Å |
| 954 | I | 74 | Confident | 72.4 | Confident | 44 Ų | 44 | 55.7 Ų | 55.7 | 23% | 0.226 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -59 | -45.9 | 175.4 | -67.6 | 167.6 | 0 | 0 | 0 | 109.7 | I950 A951 H957 L958 P1144 | I950-I954 HydrophobicContact CG2-CD1 3.73Å; I950-I954 HydrophobicContact CG2-CG1 4.39Å; I950-I954 VanDerWaalsContact O-CG1 3.28Å; I950-I954 WeakPolarHBondContact O-CG1 3.4Å; I950-I954 PolarHBondContact O-N 3.46Å; A951-I954 PolarHBondContact O-N 3.1Å; I954-H957 PolarHBondContact O-N 2.94Å; I954-L958 HydrophobicContact CG2-CD1 3.66Å; I954-L958 HydrophobicContact CG2-CG 4.2Å; I954-L958 WeakPolarHBondContact O-CB 3.47Å; I954-L958 VanDerWaalsContact O-CG 3.29Å; I954-L958 WeakPolarHBondContact O-CG 3.46Å; I954-L958 PolarHBondContact O-N 2.79Å; I954-P1144 HydrophobicContact CG2-CB 3.92Å; I954-P1144 HydrophobicContact CG2-CG 4.37Å |
| 955 | F | 72.8 | Confident | 71.4 | Confident | 14 Ų | 14 | 59.9 Ų | 59.9 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -58.2 | -51.6 | 178.7 | 177.1 | -96.2 | 0 | 0 | 0 | 112.3 | A951 L952 F953 H957 L958 L959 L1145 L1214 F1311 | A951-F955 WeakPolarHBondContact O-CB 3.39Å; A951-F955 PolarHBondContact O-N 3.34Å; L952-F955 PolarHBondContact O-N 2.9Å; F953-F955 VanDerWaalsContact C-N 3.29Å; F953-F955 PolarHBondContact O-N 3.03Å; F955-H957 VanDerWaalsContact C-N 3.29Å; F955-H957 PolarHBondContact O-N 2.97Å; F955-L958 PolarHBondContact O-N 3.13Å; F955-L959 HydrophobicContact CD1-CD1 4.37Å; F955-L959 HydrophobicContact CD2-CD1 3.63Å; F955-L959 HydrophobicContact CE1-CD1 3.86Å; F955-L959 HydrophobicContact CE2-CD1 3.04Å; F955-L959 HydrophobicContact CE2-CG 4.48Å; F955-L959 HydrophobicContact CG-CD1 4.24Å; F955-L959 HydrophobicContact CZ-CD1 3.13Å; F955-L959 PolarHBondContact O-N 2.95Å; F955-L959 VanDerWaalsContact O-N 3.09Å; F955-L1145 HydrophobicContact CD2-CD2 4.34Å; F955-L1145 HydrophobicContact CE2-CD2 4.45Å; F955-L1214 HydrophobicContact CD1-CD2 4.33Å; F955-L1214 HydrophobicContact CE1-CD2 4.06Å; F955-F1311 HydrophobicContact CE2-CD2 4.28Å; F955-F1311 AromaticContact CE2-CE2 3.54Å; F955-F1311 HydrophobicContact CE2-CE2 3.54Å; F955-F1311 HydrophobicContact CE2-CZ 4.13Å; F955-F1311 HydrophobicContact CZ-CE2 4.05Å |
| 956 | H | 73.5 | Confident | 70.8 | Confident | 113 Ų | 113 | 59.1 Ų | 59.1 | 52% | 0.523 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -59.5 | -42.4 | 177.7 | -173.4 | 88.7 | 0 | 0 | 0 | 111.1 | L952 F953 N960 | L952-H956 VanDerWaalsContact O-CB 3.26Å; L952-H956 WeakPolarHBondContact O-CB 3.5Å; L952-H956 PolarHBondContact O-N 2.93Å; F953-H956 PolarHBondContact O-N 3.26Å; H956-N960 PolarHBondContact CE1-ND2 3.03Å; H956-N960 PolarHBondContact NE2-ND2 3.07Å; H956-N960 VanDerWaalsContact NE2-ND2 3.16Å; H956-N960 WeakPolarHBondContact O-CB 3.46Å; H956-N960 PolarHBondContact O-N 3Å |
| 957 | H | 69.7 | Low | 70.7 | Confident | 61 Ų | 61 | 60 Ų | 60 | 28% | 0.282 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -72.1 | -32.9 | -177 | -154.1 | -15 | 0 | 0 | 0 | 113.2 | H360 F953 I954 F955 | H360-H957 AromaticContact CE1-CE1 3.91Å; H360-H957 AromaticContact CE1-NE2 3.59Å; F953-H957 WeakPolarHBondContact O-CB 3.32Å; F953-H957 PolarHBondContact O-N 2.72Å; I954-H957 PolarHBondContact O-N 2.94Å; F955-H957 VanDerWaalsContact C-N 3.29Å; F955-H957 PolarHBondContact O-N 2.97Å |
| 958 | L | 67.7 | Low | 70.7 | Confident | 63 Ų | 63 | 61.9 Ų | 61.9 | 33% | 0.33 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -76.1 | -35.6 | 178.4 | -72.2 | 176.8 | 0 | 0 | 0 | 113 | I954 F955 P1144 | I954-L958 HydrophobicContact CG2-CD1 3.66Å; I954-L958 HydrophobicContact CG2-CG 4.2Å; I954-L958 WeakPolarHBondContact O-CB 3.47Å; I954-L958 VanDerWaalsContact O-CG 3.29Å; I954-L958 WeakPolarHBondContact O-CG 3.46Å; I954-L958 PolarHBondContact O-N 2.79Å; F955-L958 PolarHBondContact O-N 3.13Å; L958-P1144 HydrophobicContact CD1-CG 4.31Å |
| 959 | L | 63.1 | Low | 70.9 | Confident | 59 Ų | 59 | 62.8 Ų | 62.8 | 31% | 0.309 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -96.6 | -31.6 | -175.9 | -75.6 | 160.3 | 0 | 0 | 0 | 114.2 | F955 A1141 | F955-L959 HydrophobicContact CD1-CD1 4.37Å; F955-L959 HydrophobicContact CD2-CD1 3.63Å; F955-L959 HydrophobicContact CE1-CD1 3.86Å; F955-L959 HydrophobicContact CE2-CD1 3.04Å; F955-L959 HydrophobicContact CE2-CG 4.48Å; F955-L959 HydrophobicContact CG-CD1 4.24Å; F955-L959 HydrophobicContact CZ-CD1 3.13Å; F955-L959 PolarHBondContact O-N 2.95Å; F955-L959 VanDerWaalsContact O-N 3.09Å; L959-A1141 HydrophobicContact CD1-CB 4.01Å; L959-A1141 HydrophobicContact CD2-CB 4Å; L959-A1141 HydrophobicContact CG-CB 3.88Å |
| 960 | N | 56.6 | Low | 71 | Confident | 73 Ų | 73 | 63.5 Ų | 63.5 | 39% | 0.39 | 33% | 0.326 | S | S | . | . | G | 310 helix | trans | -88.3 | -11.9 | -166.4 | -148.9 | 26 | 0 | 0 | 0 | 114.7 | H956 N962 N963 | H956-N960 PolarHBondContact CE1-ND2 3.03Å; H956-N960 PolarHBondContact NE2-ND2 3.07Å; H956-N960 VanDerWaalsContact NE2-ND2 3.16Å; H956-N960 WeakPolarHBondContact O-CB 3.46Å; H956-N960 PolarHBondContact O-N 3Å; N960-N962 VanDerWaalsContact C-N 3.26Å; N960-N962 PolarHBondContact O-N 3.23Å; N960-N963 PolarHBondContact O-N 3.04Å |
| 961 | K | 51.4 | Low | 71.3 | Confident | 95 Ų | 95 | 60.3 Ų | 60.3 | 41% | 0.413 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -70.8 | -17.2 | -175.5 | -145.8 | 175.3 | -176.6 | 177.3 | 0 | 113.6 | H360 S964 | H360-K961 PolarHBondContact NE2-NZ 2.97Å; H360-K961 VanDerWaalsContact NE2-NZ 3.13Å; K961-S964 PolarHBondContact O-OG 2.89Å |
| 962 | N | 51.6 | Low | 71.7 | Confident | 99 Ų | 99 | 61.6 Ų | 61.6 | 53% | 0.529 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -93.9 | -3.2 | -178.2 | -72.7 | 11 | 0 | 0 | 0 | 114.6 | N960 | N960-N962 VanDerWaalsContact C-N 3.26Å; N960-N962 PolarHBondContact O-N 3.23Å |
| 963 | N | 52.5 | Low | 72 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 46% | 0.46 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -86.7 | -14.5 | 175.5 | -73.7 | -28 | 0 | 0 | 0 | 113.1 | N960 R1125 | N960-N963 PolarHBondContact O-N 3.04Å; N963-R1125 VanDerWaalsContact OD1-CZ 3.3Å; N963-R1125 PolarHBondContact OD1-NH1 2.81Å; N963-R1125 PolarHBondContact OD1-NH2 2.82Å |
| 964 | S | 58 | Low | 72.3 | Confident | 51 Ų | 51 | 62.7 Ų | 62.7 | 36% | 0.357 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -81 | 124.7 | 175.8 | 61.5 | 0 | 0 | 0 | 0 | 110.1 | R151 K961 | R151-S964 PolarHBondContact NH2-O 2.83Å; R151-S964 PolarHBondContact NH2-OG 2.63Å; K961-S964 PolarHBondContact O-OG 2.89Å |
| 965 | P | 65.3 | Low | 72.7 | Confident | 88 Ų | 88 | 63 Ų | 63 | 57% | 0.571 | 33% | 0.327 | S | S | * | . | P | Polyproline II helix | trans | -57.4 | 148.6 | 177.9 | 24 | -32.7 | 0 | 0 | 0 | 110.6 | R151 | R151-P965 PolarHBondContact NH2-O 3.34Š|
| 966 | D | 74.3 | Confident | 73.1 | Confident | 30 Ų | 30 | 62.8 Ų | 62.8 | 16% | 0.16 | 33% | 0.327 | C | S | . | . | P | Polyproline II helix | trans | -68.2 | 141.7 | 179.8 | -102.5 | -2.6 | 0 | 0 | 0 | 111.3 | S149 T150 R151 Q1116 P1117 | S149-D966 WeakPolarHBondContact CA-OD2 3.49Å; S149-D966 WeakPolarHBondContact CB-OD2 3.38Å; S149-D966 PolarHBondContact OG-OD1 3.42Å; S149-D966 PolarHBondContact OG-OD2 3.31Å; T150-D966 PolarHBondContact N-OD2 3.46Å; T150-D966 WeakPolarHBondContact OG1-CB 3.38Å; R151-D966 WeakPolarHBondContact CD-OD1 3.36Å; R151-D966 IonicContact CZ-OD1 3.79Å; R151-D966 IonicContact NE-OD1 3.53Å; R151-D966 PolarHBondContact NE-OD1 3.35Å; D966-Q1116 WeakPolarHBondContact O-CG 3.32Å; D966-Q1116 PolarHBondContact O-NE2 3.35Å; D966-P1117 HydrophobicContact CB-CG 4.41Å |
| 967 | P | 81.4 | Confident | 73.3 | Confident | 60 Ų | 60 | 58.7 Ų | 58.7 | 39% | 0.39 | 32% | 0.315 | S | S | . | . | P | Polyproline II helix | trans | -69 | 148.4 | -177.5 | 30 | -34 | 0 | 0 | 0 | 110.4 | T150 R151 L969 | T150-P967 WeakPolarHBondContact CB-O 3.32Å; T150-P967 PolarHBondContact OG1-O 3.03Å; R151-P967 HydrophobicContact CG-CG 3.66Å; P967-L969 PolarHBondContact O-N 3.18Å |
| 968 | R | 85.7 | Confident | 73.6 | Confident | 98 Ų | 98 | 63 Ų | 63 | 37% | 0.37 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -61.2 | 125.7 | 171.4 | 178.8 | 177 | 169.6 | 164.3 | 0.7 | 109.2 | D128 D970 S1114 Q1116 | D128-R968 IonicContact OD1-CZ 3.6Å; D128-R968 IonicContact OD1-NH1 3.51Å; D128-R968 PolarHBondContact OD1-NH1 3.13Å; D128-R968 IonicContact OD1-NH2 2.73Å; D128-R968 IonicContact OD2-CZ 2.71Å; D128-R968 IonicContact OD2-NH1 3.79Å; D128-R968 PolarHBondContact OD2-NH1 3.43Å; D128-R968 IonicContact OD2-NH2 2.67Å; D128-R968 PolarHBondContact OD2-NH2 3.06Å; R968-D970 IonicContact NE-OD1 3.61Å; R968-S1114 PolarHBondContact NE-OG 2.94Å; R968-S1114 PolarHBondContact NH2-OG 3.46Å; R968-Q1116 HydrophobicContact CB-CB 4.48Å |
| 969 | L | 87.2 | Confident | 74.1 | Confident | 20 Ų | 20 | 64.4 Ų | 64.4 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 118.8 | 175.9 | 174.7 | 69 | 0 | 0 | 0 | 110.3 | T150 L153 P967 L971 P975 H1074 S1114 N1115 | T150-L969 HydrophobicContact CG2-CB 4.03Å; T150-L969 HydrophobicContact CG2-CD2 4.5Å; L153-L969 HydrophobicContact CD2-CD1 3.87Å; L153-L969 HydrophobicContact CD2-CD2 4.15Å; P967-L969 PolarHBondContact O-N 3.18Å; L969-L971 PolarHBondContact O-N 2.85Å; L969-P975 HydrophobicContact CD1-CB 4.32Å; L969-P975 HydrophobicContact CD1-CG 4.07Å; L969-H1074 HydrophobicContact CD2-CB 4.27Å; L969-H1074 WeakPolarHBondContact CD2-CD2 3.3Å; L969-H1074 WeakPolarHBondContact CD2-NE2 3.38Å; L969-S1114 CarbonylContact O-C 3.42Å; L969-S1114 VanDerWaalsContact O-CA 3.25Å; L969-S1114 WeakPolarHBondContact O-CA 3.42Å; L969-S1114 WeakPolarHBondContact O-CB 3.38Å; L969-N1115 PolarHBondContact N-O 2.73Å; L969-N1115 PolarHBondContact O-N 3.21Å |
| 970 | D | 87.7 | Confident | 75.2 | Confident | 82 Ų | 82 | 61.8 Ų | 61.8 | 44% | 0.439 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 122.2 | 175.1 | -65.1 | -23.3 | 0 | 0 | 0 | 110.7 | R968 S972 S1114 | R968-D970 IonicContact NE-OD1 3.61Å; D970-S972 PolarHBondContact O-N 3.46Å; D970-S1114 WeakPolarHBondContact OD1-CB 3.34Å |
| 971 | L | 87.8 | Confident | 76.6 | Confident | 3 Ų | 3 | 59 Ų | 59 | 2% | 0.016 | 31% | 0.312 | C | S | . | . | trans | -80.6 | 69.3 | -177.4 | -61.7 | 171.7 | 0 | 0 | 0 | 110.8 | F178 L969 H1074 P1077 I1078 N1081 V1113 N1115 | F178-L971 HydrophobicContact CE1-CD1 3.66Å; F178-L971 HydrophobicContact CZ-CD1 3.61Å; L969-L971 PolarHBondContact O-N 2.85Å; L971-H1074 HydrophobicContact CD2-CB 4.07Å; L971-P1077 HydrophobicContact CD1-CB 3.96Å; L971-P1077 HydrophobicContact CD1-CG 4.32Å; L971-P1077 HydrophobicContact CD2-CG 4.04Å; L971-I1078 HydrophobicContact CB-CG1 4.01Å; L971-I1078 HydrophobicContact CD2-CG1 4.25Å; L971-N1081 PolarHBondContact O-ND2 3.43Å; L971-V1113 HydrophobicContact CB-CB 4.48Å; L971-V1113 WeakPolarHBondContact CB-O 3.33Å; L971-V1113 HydrophobicContact CD1-CB 4.2Å; L971-V1113 HydrophobicContact CD1-CG1 3.82Å; L971-V1113 PolarHBondContact N-O 2.94Å; L971-N1115 HydrophobicContact CD1-CB 4.36Å; L971-N1115 HydrophobicContact CD2-CB 4.43Å; L971-N1115 HydrophobicContact CG-CB 4.48Å | ||
| 972 | S | 87.6 | Confident | 78.3 | Confident | 27 Ų | 27 | 54.6 Ų | 54.6 | 19% | 0.189 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -131.2 | 175 | 174 | 70.4 | 0 | 0 | 0 | 0 | 110.6 | D970 K974 P975 | D970-S972 PolarHBondContact O-N 3.46Å; S972-K974 VanDerWaalsContact C-N 3.26Å; S972-K974 PolarHBondContact O-N 2.9Å; S972-K974 PolarHBondContact OG-N 3.37Å; S972-P975 WeakPolarHBondContact O-CD 3.37Å |
| 973 | L | 86.9 | Confident | 80.1 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 4% | 0.042 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -75 | -14 | 173.9 | -69.7 | -179.4 | 0 | 0 | 0 | 113.3 | P975 Y976 L980 F1008 Q1012 V1013 I1046 I1047 I1078 | L973-P975 VanDerWaalsContact C-CD 3.47Å; L973-Y976 PolarHBondContact O-N 3.45Å; L973-L980 HydrophobicContact CB-CD1 3.95Å; L973-L980 HydrophobicContact CD1-CD1 4.47Å; L973-L980 HydrophobicContact CD2-CD1 4.36Å; L973-F1008 HydrophobicContact CD1-CD1 3.71Å; L973-F1008 HydrophobicContact CD1-CE1 3.47Å; L973-F1008 VanDerWaalsContact CD1-CE1 3.47Å; L973-F1008 HydrophobicContact CD1-CZ 4.34Å; L973-F1008 HydrophobicContact CG-CE1 4.13Å; L973-Q1012 PolarHBondContact O-NE2 2.84Å; L973-V1013 HydrophobicContact CD1-CG2 3.91Å; L973-I1046 HydrophobicContact CD2-CB 4.11Å; L973-I1046 HydrophobicContact CD2-CG2 4.12Å; L973-I1047 HydrophobicContact CD1-CD1 3.89Å; L973-I1047 HydrophobicContact CD1-CG1 4.32Å; L973-I1047 HydrophobicContact CD2-CD1 4.09Å; L973-I1047 HydrophobicContact CD2-CG1 4.23Å; L973-I1047 HydrophobicContact CD2-CG2 4.49Å; L973-I1047 HydrophobicContact CG-CD1 4.2Å; L973-I1078 HydrophobicContact CD2-CG2 4.02Å; L973-I1078 HydrophobicContact CG-CG2 4.38Å |
| 974 | K | 83.2 | Confident | 81.9 | Confident | 143 Ų | 143 | 46.7 Ų | 46.7 | 62% | 0.622 | 25% | 0.25 | S | C | * | . | G | 310 helix | trans | -53 | -43.8 | -176.3 | -67.5 | -178.9 | -180 | 175.1 | 0 | 114.3 | S972 Y976 G977 Q1012 | S972-K974 VanDerWaalsContact C-N 3.26Å; S972-K974 PolarHBondContact O-N 2.9Å; S972-K974 PolarHBondContact OG-N 3.37Å; K974-Y976 PolarHBondContact O-N 3.02Å; K974-G977 PolarHBondContact O-N 3.14Å; K974-Q1012 VanDerWaalsContact N-NE2 3.14Å |
| 975 | P | 82.9 | Confident | 83.4 | Confident | 49 Ų | 49 | 44.3 Ų | 44.3 | 32% | 0.318 | 23% | 0.233 | S | C | . | . | G | 310 helix | trans | -64 | -19.6 | 179.4 | -22.4 | 35.5 | 0 | 0 | 0 | 114.3 | L153 L969 S972 L973 G977 | L153-P975 HydrophobicContact CD1-CB 3.61Å; L153-P975 WeakPolarHBondContact CD1-O 3.38Å; L153-P975 HydrophobicContact CD2-CB 3.96Å; L153-P975 HydrophobicContact CG-CB 4.44Å; L969-P975 HydrophobicContact CD1-CB 4.32Å; L969-P975 HydrophobicContact CD1-CG 4.07Å; S972-P975 WeakPolarHBondContact O-CD 3.37Å; L973-P975 VanDerWaalsContact C-CD 3.47Å; P975-G977 VanDerWaalsContact C-N 3.35Å |
| 976 | Y | 80.6 | Confident | 84.4 | Confident | 11 Ų | 11 | 40.2 Ų | 40.2 | 4% | 0.043 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -86.5 | 1.5 | -176.5 | -69.7 | -89 | 0 | 0 | 0 | 114.3 | L153 F154 L973 K974 I1046 S1072 I1078 | L153-Y976 HydrophobicContact CB-CE1 3.98Å; L153-Y976 HydrophobicContact CD2-CE2 4.18Å; F154-Y976 HydrophobicContact CD2-CD1 4.39Å; F154-Y976 HydrophobicContact CD2-CE1 4.27Å; F154-Y976 HydrophobicContact CE1-CD1 4.49Å; F154-Y976 HydrophobicContact CE1-CE1 4.23Å; F154-Y976 AromaticContact CE2-CD1 3.43Å; F154-Y976 HydrophobicContact CE2-CD1 3.43Å; F154-Y976 VanDerWaalsContact CE2-CD1 3.43Å; F154-Y976 AromaticContact CE2-CE1 3.64Å; F154-Y976 HydrophobicContact CE2-CE1 3.64Å; F154-Y976 AromaticContact CZ-CD1 3.5Å; F154-Y976 HydrophobicContact CZ-CD1 3.5Å; F154-Y976 AromaticContact CZ-CE1 3.64Å; F154-Y976 HydrophobicContact CZ-CE1 3.64Å; L973-Y976 PolarHBondContact O-N 3.45Å; K974-Y976 PolarHBondContact O-N 3.02Å; Y976-I1046 HydrophobicContact CD1-CD1 3.73Å; Y976-I1046 HydrophobicContact CD1-CG1 4.1Å; Y976-I1046 HydrophobicContact CE1-CD1 4.2Å; Y976-I1046 HydrophobicContact CG-CD1 4.35Å; Y976-I1046 HydrophobicContact CG-CG1 4.22Å; Y976-S1072 WeakPolarHBondContact CE1-OG 3.35Å; Y976-S1072 VanDerWaalsContact CZ-OG 3.24Å; Y976-S1072 PolarHBondContact OH-OG 3.26Å; Y976-I1078 HydrophobicContact CD2-CD1 4.32Å; Y976-I1078 HydrophobicContact CE2-CD1 3.49Å; Y976-I1078 VanDerWaalsContact CE2-CD1 3.49Å |
| 977 | G | 77.2 | Confident | 84.8 | Confident | 27 Ų | 27 | 40.7 Ų | 40.7 | 28% | 0.278 | 21% | 0.207 | S | C | . | . | trans | 87.3 | -155.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 114.6 | K974 P975 Q1012 | K974-G977 PolarHBondContact O-N 3.14Å; P975-G977 VanDerWaalsContact C-N 3.35Å; G977-Q1012 WeakPolarHBondContact O-CG 3.36Å | ||
| 978 | K | 76.7 | Confident | 84.6 | Confident | 152 Ų | 152 | 38.2 Ų | 38.2 | 66% | 0.661 | 19% | 0.192 | S | C | * | . | S | Bend | trans | -107.4 | 166.3 | -175.8 | -60.8 | -178.8 | -177 | 176.7 | 0 | 112.2 | K1044 | K978-K1044 PolarHBondContact O-NZ 3.3Š|
| 979 | D | 78.9 | Confident | 84 | Confident | 92 Ų | 92 | 41.2 Ų | 41.2 | 49% | 0.492 | 21% | 0.21 | S | C | . | . | S | Bend | trans | 58.9 | 41 | 179.9 | -52.1 | -34.8 | 0 | 0 | 0 | 113.5 | Q1012 | D979-Q1012 PolarHBondContact N-O 3.43Š|
| 980 | L | 85.2 | Confident | 83.2 | Confident | 3 Ų | 3 | 42.5 Ų | 42.5 | 2% | 0.016 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 136.3 | 177 | -62.7 | 172.6 | 0 | 0 | 0 | 110.5 | L973 L982 Q1012 V1013 T1014 K1044 I1046 | L973-L980 HydrophobicContact CB-CD1 3.95Å; L973-L980 HydrophobicContact CD1-CD1 4.47Å; L973-L980 HydrophobicContact CD2-CD1 4.36Å; L980-L982 PolarHBondContact O-N 3.38Å; L980-Q1012 PolarHBondContact N-O 3.4Å; L980-V1013 HydrophobicContact CB-CG2 4.35Å; L980-V1013 CarbonylContact O-C 3.59Å; L980-V1013 WeakPolarHBondContact O-CA 3.24Å; L980-T1014 PolarHBondContact O-N 3.22Å; L980-T1014 PolarHBondContact O-OG1 3.45Å; L980-T1014 VanDerWaalsContact O-OG1 3.13Å; L980-K1044 CarbonylContact C-O 3.57Å; L980-K1044 HydrophobicContact CD2-CD 4.3Å; L980-I1046 HydrophobicContact CD2-CG1 4.1Å |
| 981 | L | 86.1 | Confident | 82.4 | Confident | 16 Ų | 16 | 49 Ų | 49 | 8% | 0.084 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.5 | 113.3 | 174.9 | -63.9 | 168.5 | 0 | 0 | 0 | 109.5 | I1016 I1033 Y1040 K1044 | L981-I1016 HydrophobicContact CD2-CD1 3.45Å; L981-I1016 VanDerWaalsContact CD2-CD1 3.45Å; L981-I1016 HydrophobicContact CD2-CG1 4.45Å; L981-I1033 HydrophobicContact CD1-CG2 3.99Å; L981-Y1040 HydrophobicContact CD1-CD1 3.51Å; L981-Y1040 HydrophobicContact CD1-CE1 3.32Å; L981-Y1040 HydrophobicContact CD2-CE1 3.95Å; L981-Y1040 HydrophobicContact CG-CD1 4.36Å; L981-Y1040 HydrophobicContact CG-CE1 3.68Å; L981-K1044 HydrophobicContact CD1-CB 4.19Å; L981-K1044 HydrophobicContact CG-CB 4.13Å; L981-K1044 PolarHBondContact N-O 3.28Å |
| 982 | L | 88.4 | Confident | 81.4 | Confident | 2 Ų | 2 | 56.4 Ų | 56.4 | 1% | 0.01 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 108.1 | 171.3 | 177.6 | 67.8 | 0 | 0 | 0 | 109.2 | L980 Y1004 M1005 F1008 V1013 T1014 P1015 I1016 I1047 | L980-L982 PolarHBondContact O-N 3.38Å; L982-Y1004 HydrophobicContact CD1-CE1 4.27Å; L982-Y1004 HydrophobicContact CD2-CE1 4.15Å; L982-M1005 HydrophobicContact CD2-CE 3.8Å; L982-M1005 HydrophobicContact CD2-SD 3.5Å; L982-M1005 WeakPolarHBondContact CD2-SD 3.23Å; L982-M1005 HydrophobicContact CG-CE 4.33Å; L982-F1008 HydrophobicContact CD2-CD2 3.67Å; L982-F1008 HydrophobicContact CD2-CE2 3.68Å; L982-F1008 HydrophobicContact CD2-CG 4.42Å; L982-F1008 HydrophobicContact CD2-CZ 4.42Å; L982-V1013 HydrophobicContact CB-CG1 3.17Å; L982-V1013 HydrophobicContact CD2-CG1 3.89Å; L982-V1013 HydrophobicContact CG-CG1 4.16Å; L982-T1014 PolarHBondContact N-O 3.2Å; L982-T1014 VanDerWaalsContact N-O 3.07Å; L982-P1015 CarbonylContact O-C 3.44Å; L982-P1015 WeakPolarHBondContact O-CA 3.31Å; L982-I1016 PolarHBondContact O-N 3.12Å; L982-I1047 HydrophobicContact CD1-CD1 4Å; L982-I1047 HydrophobicContact CD1-CG1 3.59Å |
| 983 | T | 89.7 | Confident | 80.5 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.288 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 134.2 | -176.6 | 42.7 | 0 | 0 | 0 | 0 | 110.7 | I1016 F1018 Y1025 L1029 I1033 G1048 L1049 | T983-I1016 CarbonylContact C-O 3.51Å; T983-I1016 WeakPolarHBondContact CA-O 3.39Å; T983-I1016 HydrophobicContact CG2-CB 4.19Å; T983-F1018 HydrophobicContact CG2-CE2 3.53Å; T983-F1018 HydrophobicContact CG2-CZ 3.77Å; T983-Y1025 PolarHBondContact OG1-OH 3.48Å; T983-L1029 HydrophobicContact CG2-CD1 4Å; T983-I1033 HydrophobicContact CG2-CD1 3.79Å; T983-G1048 CarbonylContact O-C 3.56Å; T983-G1048 WeakPolarHBondContact O-CA 3.46Å; T983-L1049 PolarHBondContact O-N 3.09Å |
| 984 | F | 90.1 | Very high | 80 | Confident | 19 Ų | 19 | 62.1 Ų | 62.1 | 8% | 0.083 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -145 | 159.2 | 177.7 | 65.6 | -78.3 | 0 | 0 | 0 | 112.6 | I1001 M1005 P1015 I1016 E1017 F1018 L1049 | F984-I1001 HydrophobicContact CD2-CD1 4.31Å; F984-I1001 HydrophobicContact CD2-CG2 3.87Å; F984-I1001 HydrophobicContact CE2-CG2 3.84Å; F984-M1005 HydrophobicContact CB-CE 4.28Å; F984-M1005 HydrophobicContact CD1-CE 3.2Å; F984-M1005 HydrophobicContact CD2-CE 4.17Å; F984-M1005 HydrophobicContact CE1-CE 3.4Å; F984-M1005 VanDerWaalsContact CE1-CE 3.4Å; F984-M1005 HydrophobicContact CE2-CE 4.31Å; F984-M1005 HydrophobicContact CG-CE 3.62Å; F984-M1005 HydrophobicContact CZ-CE 3.94Å; F984-P1015 HydrophobicContact CE1-CB 3.88Å; F984-I1016 VanDerWaalsContact CD1-O 3.29Å; F984-I1016 WeakPolarHBondContact CD1-O 3.15Å; F984-I1016 PolarHBondContact N-O 3.29Å; F984-E1017 HydrophobicContact CD2-CB 4.3Å; F984-E1017 HydrophobicContact CD2-CG 3.96Å; F984-E1017 HydrophobicContact CE1-CB 4.02Å; F984-E1017 HydrophobicContact CE2-CB 3.64Å; F984-E1017 HydrophobicContact CE2-CG 3.47Å; F984-E1017 VanDerWaalsContact CE2-CG 3.47Å; F984-E1017 HydrophobicContact CZ-CB 3.49Å; F984-E1017 VanDerWaalsContact CZ-CB 3.49Å; F984-E1017 HydrophobicContact CZ-CG 3.91Å; F984-E1017 CarbonylContact O-C 3.58Å; F984-E1017 WeakPolarHBondContact O-CA 3.37Å; F984-F1018 PolarHBondContact O-N 3.45Å; F984-L1049 CarbonylContact C-O 3.55Å; F984-L1049 WeakPolarHBondContact CA-O 3.47Å; F984-L1049 HydrophobicContact CB-CB 4.31Å; F984-L1049 WeakPolarHBondContact CB-O 2.94Å |
| 985 | S | 88.6 | Confident | 79.8 | Confident | 1 Ų | 1 | 61.1 Ų | 61.1 | 1% | 0.007 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.3 | 140.7 | 177.4 | -168.4 | 0 | 0 | 0 | 0 | 111.7 | F1018 T1020 L1049 V1050 V1051 | S985-F1018 WeakPolarHBondContact CB-O 3.12Å; S985-F1018 PolarHBondContact OG-O 3.42Å; S985-T1020 WeakPolarHBondContact OG-CG2 3.48Å; S985-L1049 PolarHBondContact N-O 3.5Å; S985-V1050 WeakPolarHBondContact O-CA 3.41Å; S985-V1051 PolarHBondContact O-N 2.7Å |
| 986 | N | 86.9 | Confident | 79.4 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.005 | 30% | 0.302 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 103.7 | 176.4 | -167.2 | -8.6 | 0 | 0 | 0 | 109.9 | A988 R994 T997 D998 I1001 | N986-A988 VanDerWaalsContact OD1-CB 3.28Å; N986-A988 WeakPolarHBondContact OD1-CB 3.09Å; N986-A988 PolarHBondContact OD1-N 3.43Å; N986-R994 VanDerWaalsContact ND2-CG 3.33Å; N986-R994 WeakPolarHBondContact ND2-CG 3.35Å; N986-R994 PolarHBondContact ND2-O 3.13Å; N986-T997 PolarHBondContact ND2-OG1 3.37Å; N986-T997 PolarHBondContact OD1-OG1 3.09Å; N986-D998 PolarHBondContact ND2-OD1 3.16Å; N986-I1001 HydrophobicContact CB-CD1 3.98Å |
| 987 | E | 82.8 | Confident | 79.4 | Confident | 40 Ų | 40 | 61.9 Ų | 61.9 | 19% | 0.187 | 30% | 0.3 | C | S | . | . | trans | -95 | 15.5 | 179.3 | -73 | 179.7 | -178.2 | 0 | 0 | 112.5 | E989 T1020 V1050 V1051 N1052 | E987-E989 PolarHBondContact O-N 2.99Å; E987-T1020 HydrophobicContact CB-CG2 4.34Å; E987-T1020 HydrophobicContact CG-CG2 3.47Å; E987-T1020 VanDerWaalsContact CG-CG2 3.47Å; E987-V1050 HydrophobicContact CB-CG1 4.36Å; E987-V1050 HydrophobicContact CG-CG1 3.8Å; E987-V1050 WeakPolarHBondContact OE1-CG1 3.38Å; E987-V1050 WeakPolarHBondContact OE2-CG1 3.31Å; E987-V1051 PolarHBondContact N-O 2.86Å; E987-N1052 HydrophobicContact CB-CB 4.17Å; E987-N1052 PolarHBondContact OE2-ND2 3.29Å | ||
| 988 | A | 77.2 | Confident | 79.7 | Confident | 8 Ų | 8 | 63.3 Ų | 63.3 | 7% | 0.066 | 30% | 0.302 | C | S | . | . | trans | -70.3 | 127.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | N986 K993 T997 T1053 | N986-A988 VanDerWaalsContact OD1-CB 3.28Å; N986-A988 WeakPolarHBondContact OD1-CB 3.09Å; N986-A988 PolarHBondContact OD1-N 3.43Å; A988-K993 HydrophobicContact CB-CB 4.25Å; A988-T997 HydrophobicContact CB-CG2 4Å; A988-T1053 HydrophobicContact CB-CG2 4.24Å | ||
| 989 | E | 71.7 | Confident | 80 | Confident | 161 Ų | 161 | 59.4 Ų | 59.4 | 75% | 0.752 | 29% | 0.286 | S | S | * | . | trans | -85.9 | 111.2 | 175.5 | -67.3 | 179.7 | -179.2 | 0 | 0 | 111.3 | E987 K993 | E987-E989 PolarHBondContact O-N 2.99Å; E989-K993 WeakPolarHBondContact O-CD 3.15Å | ||
| 990 | G | 71.9 | Confident | 80.4 | Confident | 48 Ų | 48 | 55 Ų | 55 | 50% | 0.495 | 26% | 0.262 | S | S | . | . | S | Bend | trans | 108.7 | 146.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | K993 R994 | G990-K993 PolarHBondContact O-N 2.85Å; G990-R994 WeakPolarHBondContact O-CB 3.23Å; G990-R994 PolarHBondContact O-N 2.67Å |
| 991 | W | 69.3 | Low | 80.4 | Confident | 219 Ų | 219 | 55.4 Ų | 55.4 | 83% | 0.83 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -60.2 | -49.4 | -170.8 | -175.4 | -85.1 | 0 | 0 | 0 | 114 | K993 R994 Q995 | W991-K993 VanDerWaalsContact C-N 3.32Å; W991-K993 PolarHBondContact O-N 3.47Å; W991-R994 WeakPolarHBondContact O-CB 3.23Å; W991-R994 PolarHBondContact O-N 2.85Å; W991-Q995 PolarHBondContact O-N 3.06Å |
| 992 | E | 66.9 | Low | 80.5 | Confident | 158 Ų | 158 | 60.3 Ų | 60.3 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | 179.5 | -71.7 | -176.9 | 160.9 | 0 | 0 | 112.6 | Q995 N996 | E992-Q995 PolarHBondContact O-N 2.9Å; E992-N996 PolarHBondContact O-N 3.33Å |
| 993 | K | 70.3 | Confident | 80.4 | Confident | 73 Ų | 73 | 60.3 Ų | 60.3 | 32% | 0.317 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 177.5 | -62.6 | -172.8 | -163.1 | 152.3 | 0 | 111 | A988 E989 G990 W991 Q995 N996 T997 T1053 | A988-K993 HydrophobicContact CB-CB 4.25Å; E989-K993 WeakPolarHBondContact O-CD 3.15Å; G990-K993 PolarHBondContact O-N 2.85Å; W991-K993 VanDerWaalsContact C-N 3.32Å; W991-K993 PolarHBondContact O-N 3.47Å; K993-Q995 VanDerWaalsContact C-N 3.33Å; K993-Q995 PolarHBondContact O-N 2.97Å; K993-N996 PolarHBondContact O-N 2.98Å; K993-T997 WeakPolarHBondContact O-CG2 3.38Å; K993-T997 PolarHBondContact O-N 3.46Å; K993-T997 PolarHBondContact O-OG1 2.82Å; K993-T997 VanDerWaalsContact O-OG1 3.1Å; K993-T1053 HydrophobicContact CB-CG2 4.39Å; K993-T1053 WeakPolarHBondContact CD-OG1 3.42Å |
| 994 | R | 75.6 | Confident | 80.3 | Confident | 81 Ų | 81 | 60.3 Ų | 60.3 | 31% | 0.306 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.9 | -40 | 176.2 | -157.7 | 173.4 | -177 | 135.1 | -2.7 | 111.8 | N986 G990 W991 T997 D998 | N986-R994 VanDerWaalsContact ND2-CG 3.33Å; N986-R994 WeakPolarHBondContact ND2-CG 3.35Å; N986-R994 PolarHBondContact ND2-O 3.13Å; G990-R994 WeakPolarHBondContact O-CB 3.23Å; G990-R994 PolarHBondContact O-N 2.67Å; W991-R994 WeakPolarHBondContact O-CB 3.23Å; W991-R994 PolarHBondContact O-N 2.85Å; R994-T997 WeakPolarHBondContact CA-OG1 3.33Å; R994-T997 PolarHBondContact O-N 2.89Å; R994-T997 PolarHBondContact O-OG1 2.86Å; R994-D998 VanDerWaalsContact O-CB 3.32Å; R994-D998 WeakPolarHBondContact O-CB 3.24Å; R994-D998 PolarHBondContact O-N 2.79Å |
| 995 | Q | 78 | Confident | 80.2 | Confident | 123 Ų | 123 | 61.3 Ų | 61.3 | 58% | 0.575 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -63.4 | -43.1 | 176.3 | -169.3 | 177.2 | -0.7 | 0 | 0 | 112.6 | W991 E992 K993 D998 Q999 | W991-Q995 PolarHBondContact O-N 3.06Å; E992-Q995 PolarHBondContact O-N 2.9Å; K993-Q995 VanDerWaalsContact C-N 3.33Å; K993-Q995 PolarHBondContact O-N 2.97Å; Q995-D998 PolarHBondContact O-N 3.49Å; Q995-Q999 PolarHBondContact O-N 2.84Å |
| 996 | N | 75.9 | Confident | 80 | Confident | 75 Ų | 75 | 69 Ų | 69 | 40% | 0.401 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.6 | -39.2 | 176.2 | -73.2 | -22.7 | 0 | 0 | 0 | 112.2 | E992 K993 F1000 | E992-N996 PolarHBondContact O-N 3.33Å; K993-N996 PolarHBondContact O-N 2.98Å; N996-F1000 PolarHBondContact O-N 3.46Å; N996-F1000 VanDerWaalsContact O-N 3.15Å |
| 997 | T | 80.7 | Confident | 79.9 | Confident | 1 Ų | 1 | 70.4 Ų | 70.4 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -73 | -33 | 176.7 | 52.7 | 0 | 0 | 0 | 0 | 112.5 | N986 A988 K993 R994 F1000 I1001 V1051 T1053 | N986-T997 PolarHBondContact ND2-OG1 3.37Å; N986-T997 PolarHBondContact OD1-OG1 3.09Å; A988-T997 HydrophobicContact CB-CG2 4Å; K993-T997 WeakPolarHBondContact O-CG2 3.38Å; K993-T997 PolarHBondContact O-N 3.46Å; K993-T997 PolarHBondContact O-OG1 2.82Å; K993-T997 VanDerWaalsContact O-OG1 3.1Å; R994-T997 WeakPolarHBondContact CA-OG1 3.33Å; R994-T997 PolarHBondContact O-N 2.89Å; R994-T997 PolarHBondContact O-OG1 2.86Å; T997-F1000 WeakPolarHBondContact O-CB 3.49Å; T997-F1000 PolarHBondContact O-N 3.28Å; T997-I1001 WeakPolarHBondContact O-CG1 3.49Å; T997-I1001 PolarHBondContact O-N 3Å; T997-V1051 HydrophobicContact CG2-CG1 3.44Å; T997-V1051 VanDerWaalsContact CG2-CG1 3.44Å; T997-T1053 HydrophobicContact CG2-CG2 3.49Å; T997-T1053 VanDerWaalsContact CG2-CG2 3.49Å |
| 998 | D | 82.8 | Confident | 80.1 | Confident | 57 Ų | 57 | 70 Ų | 70 | 31% | 0.305 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -66 | -39.3 | 172.9 | -71.9 | -24.1 | 0 | 0 | 0 | 111.2 | N986 R994 Q995 F1000 I1001 Q1002 | N986-D998 PolarHBondContact ND2-OD1 3.16Å; R994-D998 VanDerWaalsContact O-CB 3.32Å; R994-D998 WeakPolarHBondContact O-CB 3.24Å; R994-D998 PolarHBondContact O-N 2.79Å; Q995-D998 PolarHBondContact O-N 3.49Å; D998-F1000 VanDerWaalsContact C-N 3.3Å; D998-F1000 PolarHBondContact O-N 2.94Å; D998-I1001 PolarHBondContact O-N 3.24Å; D998-Q1002 WeakPolarHBondContact O-CG 3.35Å; D998-Q1002 PolarHBondContact O-N 3.45Å |
| 999 | Q | 82.6 | Confident | 80.2 | Confident | 69 Ų | 69 | 73.9 Ų | 73.9 | 32% | 0.322 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -63.3 | -37 | 173.1 | -172.1 | 177.3 | 2.1 | 0 | 0 | 112 | Q995 S1003 Y1090 | Q995-Q999 PolarHBondContact O-N 2.84Å; Q999-S1003 PolarHBondContact O-N 3.22Å; Q999-S1003 VanDerWaalsContact O-N 3.08Å; Q999-S1003 PolarHBondContact O-OG 3.38Å; Q999-Y1090 HydrophobicContact CB-CE2 4.4Å; Q999-Y1090 HydrophobicContact CG-CD2 4.48Å; Q999-Y1090 HydrophobicContact CG-CE2 4.27Å |
| 1000 | F | 86.9 | Confident | 80.4 | Confident | 0 Ų | 0 | 73.2 Ų | 73.2 | 0% | 0 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -47.5 | 171.1 | 178.8 | -87.9 | 0 | 0 | 0 | 111.4 | N996 T997 D998 Q1002 S1003 Y1004 L1049 V1051 L1064 F1087 Y1090 | N996-F1000 PolarHBondContact O-N 3.46Å; N996-F1000 VanDerWaalsContact O-N 3.15Å; T997-F1000 WeakPolarHBondContact O-CB 3.49Å; T997-F1000 PolarHBondContact O-N 3.28Å; D998-F1000 VanDerWaalsContact C-N 3.3Å; D998-F1000 PolarHBondContact O-N 2.94Å; F1000-Q1002 VanDerWaalsContact C-N 3.3Å; F1000-Q1002 PolarHBondContact O-N 3.46Å; F1000-S1003 CarbonylContact O-C 3.58Å; F1000-S1003 WeakPolarHBondContact O-CB 3.44Å; F1000-S1003 PolarHBondContact O-N 3.5Å; F1000-S1003 VanDerWaalsContact O-N 3.09Å; F1000-Y1004 WeakPolarHBondContact O-CB 3.45Å; F1000-Y1004 PolarHBondContact O-N 3.48Å; F1000-L1049 HydrophobicContact CE1-CD2 3.96Å; F1000-V1051 HydrophobicContact CD1-CG2 4.16Å; F1000-V1051 HydrophobicContact CE1-CG2 4.47Å; F1000-L1064 HydrophobicContact CD1-CD2 4.1Å; F1000-L1064 HydrophobicContact CE1-CD1 3.66Å; F1000-L1064 HydrophobicContact CE1-CD2 3.73Å; F1000-L1064 HydrophobicContact CE1-CG 4.38Å; F1000-L1064 HydrophobicContact CE2-CD1 3.83Å; F1000-L1064 HydrophobicContact CZ-CD1 3.2Å; F1000-L1064 HydrophobicContact CZ-CD2 4.11Å; F1000-L1064 HydrophobicContact CZ-CG 4.31Å; F1000-F1087 HydrophobicContact CE2-CB 4Å; F1000-F1087 HydrophobicContact CE2-CD2 4.12Å; F1000-Y1090 HydrophobicContact CB-CD2 4.01Å; F1000-Y1090 HydrophobicContact CB-CE2 4.23Å; F1000-Y1090 HydrophobicContact CD2-CD1 4.25Å; F1000-Y1090 HydrophobicContact CD2-CD2 4.2Å; F1000-Y1090 AromaticContact CD2-CG 3.85Å; F1000-Y1090 HydrophobicContact CD2-CG 3.85Å |
| 1001 | I | 86.9 | Confident | 80.5 | Confident | 12 Ų | 12 | 79 Ų | 79 | 6% | 0.062 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -59.1 | -43.1 | 178.3 | -69 | 165.9 | 0 | 0 | 0 | 110.3 | F984 N986 T997 D998 S1003 Y1004 M1005 V1051 | F984-I1001 HydrophobicContact CD2-CD1 4.31Å; F984-I1001 HydrophobicContact CD2-CG2 3.87Å; F984-I1001 HydrophobicContact CE2-CG2 3.84Å; N986-I1001 HydrophobicContact CB-CD1 3.98Å; T997-I1001 WeakPolarHBondContact O-CG1 3.49Å; T997-I1001 PolarHBondContact O-N 3Å; D998-I1001 PolarHBondContact O-N 3.24Å; I1001-S1003 VanDerWaalsContact C-N 3.33Å; I1001-S1003 PolarHBondContact O-N 3.4Å; I1001-Y1004 CarbonylContact O-C 3.59Å; I1001-Y1004 WeakPolarHBondContact O-CB 3.07Å; I1001-Y1004 PolarHBondContact O-N 3.02Å; I1001-M1005 HydrophobicContact CG2-CE 4.27Å; I1001-M1005 HydrophobicContact CG2-CG 4.21Å; I1001-M1005 WeakPolarHBondContact O-CB 3.22Å; I1001-M1005 WeakPolarHBondContact O-CG 3.46Å; I1001-M1005 PolarHBondContact O-N 2.89Å; I1001-V1051 HydrophobicContact CD1-CG2 4.16Å; I1001-V1051 HydrophobicContact CG1-CG2 3.85Å |
| 1002 | Q | 87 | Confident | 80.9 | Confident | 118 Ų | 118 | 69.7 Ų | 69.7 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -60 | -42 | 175 | -73.1 | 177.9 | 10.9 | 0 | 0 | 112.2 | D998 F1000 M1005 R1006 | D998-Q1002 WeakPolarHBondContact O-CG 3.35Å; D998-Q1002 PolarHBondContact O-N 3.45Å; F1000-Q1002 VanDerWaalsContact C-N 3.3Å; F1000-Q1002 PolarHBondContact O-N 3.46Å; Q1002-M1005 PolarHBondContact O-N 2.65Å; Q1002-R1006 WeakPolarHBondContact O-CG 3.44Å; Q1002-R1006 PolarHBondContact O-N 3.23Å; Q1002-R1006 VanDerWaalsContact O-N 3.12Å |
| 1003 | S | 86 | Confident | 81.8 | Confident | 2 Ų | 2 | 62.5 Ų | 62.5 | 1% | 0.014 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -66.3 | -40.8 | 176.1 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | Q999 F1000 I1001 M1005 R1006 Q1089 | Q999-S1003 PolarHBondContact O-N 3.22Å; Q999-S1003 VanDerWaalsContact O-N 3.08Å; Q999-S1003 PolarHBondContact O-OG 3.38Å; F1000-S1003 CarbonylContact O-C 3.58Å; F1000-S1003 WeakPolarHBondContact O-CB 3.44Å; F1000-S1003 PolarHBondContact O-N 3.5Å; F1000-S1003 VanDerWaalsContact O-N 3.09Å; I1001-S1003 VanDerWaalsContact C-N 3.33Å; I1001-S1003 PolarHBondContact O-N 3.4Å; S1003-M1005 VanDerWaalsContact C-N 3.32Å; S1003-M1005 PolarHBondContact O-N 2.96Å; S1003-R1006 PolarHBondContact O-N 3.28Å; S1003-Q1089 PolarHBondContact O-OE1 2.86Å; S1003-Q1089 VanDerWaalsContact O-OE1 3.06Å |
| 1004 | Y | 88.8 | Confident | 82.5 | Confident | 0 Ų | 0 | 61.7 Ų | 61.7 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.4 | -35.5 | 173.6 | 175.9 | -96.6 | 0 | 0 | 0 | 112.5 | L982 F1000 I1001 Q1007 F1008 L1049 A1082 V1083 | L982-Y1004 HydrophobicContact CD1-CE1 4.27Å; L982-Y1004 HydrophobicContact CD2-CE1 4.15Å; F1000-Y1004 WeakPolarHBondContact O-CB 3.45Å; F1000-Y1004 PolarHBondContact O-N 3.48Å; I1001-Y1004 CarbonylContact O-C 3.59Å; I1001-Y1004 WeakPolarHBondContact O-CB 3.07Å; I1001-Y1004 PolarHBondContact O-N 3.02Å; Y1004-Q1007 VanDerWaalsContact CD2-NE2 3.27Å; Y1004-Q1007 VanDerWaalsContact O-CG 3.26Å; Y1004-Q1007 WeakPolarHBondContact O-CG 3.44Å; Y1004-Q1007 PolarHBondContact O-NE2 3.48Å; Y1004-F1008 HydrophobicContact CD1-CE2 4.09Å; Y1004-F1008 AromaticContact CE1-CE2 3.62Å; Y1004-F1008 HydrophobicContact CE1-CE2 3.62Å; Y1004-F1008 HydrophobicContact CE1-CZ 4.29Å; Y1004-F1008 HydrophobicContact CE2-CE2 4.27Å; Y1004-F1008 HydrophobicContact CE2-CZ 4.38Å; Y1004-F1008 AromaticContact CZ-CE2 3.71Å; Y1004-F1008 AromaticContact CZ-CZ 3.92Å; Y1004-F1008 WeakPolarHBondContact O-CE2 3.33Å; Y1004-L1049 HydrophobicContact CD1-CD2 3.68Å; Y1004-L1049 HydrophobicContact CD2-CD2 4.05Å; Y1004-L1049 HydrophobicContact CE1-CB 4.22Å; Y1004-L1049 HydrophobicContact CE1-CD2 3.87Å; Y1004-L1049 HydrophobicContact CE2-CD2 4.23Å; Y1004-L1049 HydrophobicContact CG-CD2 3.77Å; Y1004-A1082 WeakPolarHBondContact CD2-O 3.45Å; Y1004-A1082 HydrophobicContact CE2-CB 3.87Å; Y1004-A1082 WeakPolarHBondContact CE2-O 3.48Å; Y1004-V1083 HydrophobicContact CE2-CG2 4.08Å |
| 1005 | M | 86.8 | Confident | 83 | Confident | 40 Ų | 40 | 61.5 Ų | 61.5 | 20% | 0.197 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -75.4 | -30.1 | 179.7 | -70.5 | -62.5 | 173.7 | 0 | 0 | 113.2 | L982 F984 I1001 Q1002 S1003 Q1007 F1008 P1015 | L982-M1005 HydrophobicContact CD2-CE 3.8Å; L982-M1005 HydrophobicContact CD2-SD 3.5Å; L982-M1005 WeakPolarHBondContact CD2-SD 3.23Å; L982-M1005 HydrophobicContact CG-CE 4.33Å; F984-M1005 HydrophobicContact CB-CE 4.28Å; F984-M1005 HydrophobicContact CD1-CE 3.2Å; F984-M1005 HydrophobicContact CD2-CE 4.17Å; F984-M1005 HydrophobicContact CE1-CE 3.4Å; F984-M1005 VanDerWaalsContact CE1-CE 3.4Å; F984-M1005 HydrophobicContact CE2-CE 4.31Å; F984-M1005 HydrophobicContact CG-CE 3.62Å; F984-M1005 HydrophobicContact CZ-CE 3.94Å; I1001-M1005 HydrophobicContact CG2-CE 4.27Å; I1001-M1005 HydrophobicContact CG2-CG 4.21Å; I1001-M1005 WeakPolarHBondContact O-CB 3.22Å; I1001-M1005 WeakPolarHBondContact O-CG 3.46Å; I1001-M1005 PolarHBondContact O-N 2.89Å; Q1002-M1005 PolarHBondContact O-N 2.65Å; S1003-M1005 VanDerWaalsContact C-N 3.32Å; S1003-M1005 PolarHBondContact O-N 2.96Å; M1005-Q1007 PolarHBondContact O-N 2.64Å; M1005-Q1007 VanDerWaalsContact O-N 3.07Å; M1005-F1008 PolarHBondContact O-N 2.84Å; M1005-F1008 VanDerWaalsContact O-N 3.13Å; M1005-P1015 HydrophobicContact CE-CB 4.46Å; M1005-P1015 HydrophobicContact SD-CB 4.45Å |
| 1006 | R | 85.3 | Confident | 83.4 | Confident | 162 Ų | 162 | 58 Ų | 58 | 61% | 0.611 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.3 | 179.6 | -80.3 | 177.7 | -172.4 | 171.4 | 3.7 | 114.4 | Q1002 S1003 F1008 | Q1002-R1006 WeakPolarHBondContact O-CG 3.44Å; Q1002-R1006 PolarHBondContact O-N 3.23Å; Q1002-R1006 VanDerWaalsContact O-N 3.12Å; S1003-R1006 PolarHBondContact O-N 3.28Å; R1006-F1008 VanDerWaalsContact C-N 3.35Å |
| 1007 | Q | 85.2 | Confident | 83.9 | Confident | 32 Ų | 32 | 59.4 Ų | 59.4 | 15% | 0.15 | 29% | 0.29 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | -15.2 | 179.9 | 81.3 | -167.8 | -47.1 | 0 | 0 | 114 | Y1004 M1005 A1082 | Y1004-Q1007 VanDerWaalsContact CD2-NE2 3.27Å; Y1004-Q1007 VanDerWaalsContact O-CG 3.26Å; Y1004-Q1007 WeakPolarHBondContact O-CG 3.44Å; Y1004-Q1007 PolarHBondContact O-NE2 3.48Å; M1005-Q1007 PolarHBondContact O-N 2.64Å; M1005-Q1007 VanDerWaalsContact O-N 3.07Å; Q1007-A1082 PolarHBondContact NE2-O 3Å; Q1007-A1082 PolarHBondContact OE1-O 2.84Å |
| 1008 | F | 86.1 | Confident | 84.1 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 13% | 0.132 | 29% | 0.291 | C | S | . | . | S | Bend | trans | -102.8 | 144.3 | -176.6 | -56.6 | -67.2 | 0 | 0 | 0 | 111.7 | L973 L982 Y1004 M1005 R1006 V1013 I1047 A1082 | L973-F1008 HydrophobicContact CD1-CD1 3.71Å; L973-F1008 HydrophobicContact CD1-CE1 3.47Å; L973-F1008 VanDerWaalsContact CD1-CE1 3.47Å; L973-F1008 HydrophobicContact CD1-CZ 4.34Å; L973-F1008 HydrophobicContact CG-CE1 4.13Å; L982-F1008 HydrophobicContact CD2-CD2 3.67Å; L982-F1008 HydrophobicContact CD2-CE2 3.68Å; L982-F1008 HydrophobicContact CD2-CG 4.42Å; L982-F1008 HydrophobicContact CD2-CZ 4.42Å; Y1004-F1008 HydrophobicContact CD1-CE2 4.09Å; Y1004-F1008 AromaticContact CE1-CE2 3.62Å; Y1004-F1008 HydrophobicContact CE1-CE2 3.62Å; Y1004-F1008 HydrophobicContact CE1-CZ 4.29Å; Y1004-F1008 HydrophobicContact CE2-CE2 4.27Å; Y1004-F1008 HydrophobicContact CE2-CZ 4.38Å; Y1004-F1008 AromaticContact CZ-CE2 3.71Å; Y1004-F1008 AromaticContact CZ-CZ 3.92Å; Y1004-F1008 WeakPolarHBondContact O-CE2 3.33Å; M1005-F1008 PolarHBondContact O-N 2.84Å; M1005-F1008 VanDerWaalsContact O-N 3.13Å; R1006-F1008 VanDerWaalsContact C-N 3.35Å; F1008-V1013 HydrophobicContact CB-CG2 4.25Å; F1008-I1047 HydrophobicContact CE1-CD1 4.2Å; F1008-I1047 HydrophobicContact CZ-CD1 3.89Å; F1008-A1082 HydrophobicContact CE1-CB 4.48Å; F1008-A1082 HydrophobicContact CZ-CB 3.89Å |
| 1009 | D | 80.3 | Confident | 83.9 | Confident | 90 Ų | 90 | 61.2 Ų | 61.2 | 48% | 0.481 | 30% | 0.3 | S | S | . | . | trans | -78.8 | 126.2 | 173.2 | -174.5 | -7.9 | 0 | 0 | 0 | 110.1 | K1011 Q1012 V1013 | D1009-K1011 PolarHBondContact O-N 3.33Å; D1009-K1011 VanDerWaalsContact O-N 3.1Å; D1009-K1011 PolarHBondContact OD1-N 3.42Å; D1009-Q1012 HydrophobicContact CB-CB 4.06Å; D1009-Q1012 WeakPolarHBondContact O-CB 3.47Å; D1009-Q1012 PolarHBondContact O-N 3.02Å; D1009-V1013 PolarHBondContact O-N 3.16Å | ||
| 1010 | N | 74.5 | Confident | 83.2 | Confident | 147 Ų | 147 | 60.3 Ų | 60.3 | 79% | 0.786 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.5 | -20.2 | 177.3 | -71.8 | -12.7 | 0 | 0 | 0 | 113.2 | Q1012 | N1010-Q1012 VanDerWaalsContact C-N 3.32Š|
| 1011 | K | 74 | Confident | 82.3 | Confident | 169 Ų | 169 | 65 Ų | 65 | 74% | 0.735 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -12 | 173.9 | -66.7 | -178.2 | -179.8 | 176.7 | 0 | 113.6 | D1009 | D1009-K1011 PolarHBondContact O-N 3.33Å; D1009-K1011 VanDerWaalsContact O-N 3.1Å; D1009-K1011 PolarHBondContact OD1-N 3.42Å |
| 1012 | Q | 79.3 | Confident | 81.3 | Confident | 25 Ų | 25 | 69.3 Ų | 69.3 | 12% | 0.117 | 36% | 0.358 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.2 | -34.1 | -174.5 | -170.2 | -176.1 | -4.6 | 0 | 0 | 112 | L973 K974 G977 D979 L980 D1009 N1010 | L973-Q1012 PolarHBondContact O-NE2 2.84Å; K974-Q1012 VanDerWaalsContact N-NE2 3.14Å; G977-Q1012 WeakPolarHBondContact O-CG 3.36Å; D979-Q1012 PolarHBondContact N-O 3.43Å; L980-Q1012 PolarHBondContact N-O 3.4Å; D1009-Q1012 HydrophobicContact CB-CB 4.06Å; D1009-Q1012 WeakPolarHBondContact O-CB 3.47Å; D1009-Q1012 PolarHBondContact O-N 3.02Å; N1010-Q1012 VanDerWaalsContact C-N 3.32Å |
| 1013 | V | 84.9 | Confident | 80.7 | Confident | 7 Ų | 7 | 65 Ų | 65 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.1 | 133.6 | -170.3 | 179 | 0 | 0 | 0 | 0 | 110.5 | L973 L980 L982 F1008 D1009 P1015 | L973-V1013 HydrophobicContact CD1-CG2 3.91Å; L980-V1013 HydrophobicContact CB-CG2 4.35Å; L980-V1013 CarbonylContact O-C 3.59Å; L980-V1013 WeakPolarHBondContact O-CA 3.24Å; L982-V1013 HydrophobicContact CB-CG1 3.17Å; L982-V1013 HydrophobicContact CD2-CG1 3.89Å; L982-V1013 HydrophobicContact CG-CG1 4.16Å; F1008-V1013 HydrophobicContact CB-CG2 4.25Å; D1009-V1013 PolarHBondContact O-N 3.16Å; V1013-P1015 WeakPolarHBondContact O-CD 3.15Å |
| 1014 | T | 86 | Confident | 80.5 | Confident | 56 Ų | 56 | 67 Ų | 67 | 34% | 0.344 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.2 | 107.8 | 168.8 | 54.6 | 0 | 0 | 0 | 0 | 109.4 | L980 L982 | L980-T1014 PolarHBondContact O-N 3.22Å; L980-T1014 PolarHBondContact O-OG1 3.45Å; L980-T1014 VanDerWaalsContact O-OG1 3.13Å; L982-T1014 PolarHBondContact N-O 3.2Å; L982-T1014 VanDerWaalsContact N-O 3.07Å |
| 1015 | P | 85 | Confident | 80.4 | Confident | 76 Ų | 76 | 67 Ų | 67 | 49% | 0.494 | 36% | 0.36 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 134.7 | 179.9 | 29.5 | -33.4 | 0 | 0 | 0 | 111.4 | L982 F984 M1005 V1013 | L982-P1015 CarbonylContact O-C 3.44Å; L982-P1015 WeakPolarHBondContact O-CA 3.31Å; F984-P1015 HydrophobicContact CE1-CB 3.88Å; M1005-P1015 HydrophobicContact CE-CB 4.46Å; M1005-P1015 HydrophobicContact SD-CB 4.45Å; V1013-P1015 WeakPolarHBondContact O-CD 3.15Å |
| 1016 | I | 86.5 | Confident | 80.5 | Confident | 51 Ų | 51 | 66.2 Ų | 66.2 | 26% | 0.262 | 36% | 0.356 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.5 | 117.9 | 176.1 | -61.9 | 178.5 | 0 | 0 | 0 | 109.1 | L981 L982 T983 F984 F1018 I1033 | L981-I1016 HydrophobicContact CD2-CD1 3.45Å; L981-I1016 VanDerWaalsContact CD2-CD1 3.45Å; L981-I1016 HydrophobicContact CD2-CG1 4.45Å; L982-I1016 PolarHBondContact O-N 3.12Å; T983-I1016 CarbonylContact C-O 3.51Å; T983-I1016 WeakPolarHBondContact CA-O 3.39Å; T983-I1016 HydrophobicContact CG2-CB 4.19Å; F984-I1016 VanDerWaalsContact CD1-O 3.29Å; F984-I1016 WeakPolarHBondContact CD1-O 3.15Å; F984-I1016 PolarHBondContact N-O 3.29Å; I1016-F1018 HydrophobicContact CG2-CD1 4.25Å; I1016-F1018 HydrophobicContact CG2-CE1 3.8Å; I1016-F1018 HydrophobicContact CG2-CZ 4.08Å; I1016-I1033 HydrophobicContact CD1-CD1 4.14Å |
| 1017 | E | 87.3 | Confident | 80.6 | Confident | 104 Ų | 104 | 62 Ų | 62 | 49% | 0.486 | 35% | 0.345 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 126.9 | 175.1 | -166.6 | 173.8 | 170.3 | 0 | 0 | 111 | F984 | F984-E1017 HydrophobicContact CD2-CB 4.3Å; F984-E1017 HydrophobicContact CD2-CG 3.96Å; F984-E1017 HydrophobicContact CE1-CB 4.02Å; F984-E1017 HydrophobicContact CE2-CB 3.64Å; F984-E1017 HydrophobicContact CE2-CG 3.47Å; F984-E1017 VanDerWaalsContact CE2-CG 3.47Å; F984-E1017 HydrophobicContact CZ-CB 3.49Å; F984-E1017 VanDerWaalsContact CZ-CB 3.49Å; F984-E1017 HydrophobicContact CZ-CG 3.91Å; F984-E1017 CarbonylContact O-C 3.58Å; F984-E1017 WeakPolarHBondContact O-CA 3.37Å |
| 1018 | F | 85 | Confident | 80.7 | Confident | 5 Ų | 5 | 61.5 Ų | 61.5 | 2% | 0.022 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -98.2 | 129.3 | 172.3 | -62.6 | -54.5 | 0 | 0 | 0 | 111.3 | T983 F984 S985 I1016 Y1025 H1028 L1029 I1033 | T983-F1018 HydrophobicContact CG2-CE2 3.53Å; T983-F1018 HydrophobicContact CG2-CZ 3.77Å; F984-F1018 PolarHBondContact O-N 3.45Å; S985-F1018 WeakPolarHBondContact CB-O 3.12Å; S985-F1018 PolarHBondContact OG-O 3.42Å; I1016-F1018 HydrophobicContact CG2-CD1 4.25Å; I1016-F1018 HydrophobicContact CG2-CE1 3.8Å; I1016-F1018 HydrophobicContact CG2-CZ 4.08Å; F1018-Y1025 AromaticContact CD2-CD2 3.68Å; F1018-Y1025 HydrophobicContact CD2-CD2 3.68Å; F1018-Y1025 AromaticContact CD2-CE2 3.65Å; F1018-Y1025 HydrophobicContact CD2-CE2 3.65Å; F1018-Y1025 HydrophobicContact CE2-CD2 4.36Å; F1018-Y1025 AromaticContact CE2-CE2 4Å; F1018-Y1025 HydrophobicContact CE2-CE2 4Å; F1018-H1028 HydrophobicContact CB-CB 4.32Å; F1018-H1028 HydrophobicContact CD1-CB 3.84Å; F1018-H1028 HydrophobicContact CD2-CB 4.41Å; F1018-H1028 HydrophobicContact CE1-CB 4.18Å; F1018-H1028 HydrophobicContact CG-CB 3.95Å; F1018-L1029 HydrophobicContact CE2-CB 4.38Å; F1018-L1029 HydrophobicContact CE2-CD1 4.09Å; F1018-L1029 HydrophobicContact CZ-CD1 4.34Å; F1018-I1033 HydrophobicContact CE1-CD1 4.44Å; F1018-I1033 HydrophobicContact CZ-CD1 3.69Å; F1018-I1033 HydrophobicContact CZ-CG1 4.29Å |
| 1019 | N | 77.1 | Confident | 80.7 | Confident | 91 Ų | 91 | 60.1 Ų | 60.1 | 49% | 0.487 | 34% | 0.337 | S | S | . | . | P | Polyproline II helix | trans | -84.4 | 125.6 | 178.8 | -133.1 | -9.1 | 0 | 0 | 0 | 110.5 | S1021 T1022 | N1019-S1021 VanDerWaalsContact C-N 3.28Å; N1019-S1021 PolarHBondContact O-N 3Å; N1019-T1022 PolarHBondContact O-OG1 2.77Å |
| 1020 | T | 68.1 | Low | 81.1 | Confident | 49 Ų | 49 | 56.5 Ų | 56.5 | 30% | 0.301 | 32% | 0.318 | S | S | . | . | G | 310 helix | trans | -77.1 | -12.2 | -171 | 50.1 | 0 | 0 | 0 | 0 | 113.9 | S985 E987 T1022 | S985-T1020 WeakPolarHBondContact OG-CG2 3.48Å; E987-T1020 HydrophobicContact CB-CG2 4.34Å; E987-T1020 HydrophobicContact CG-CG2 3.47Å; E987-T1020 VanDerWaalsContact CG-CG2 3.47Å; T1020-T1022 PolarHBondContact O-N 2.7Å |
| 1021 | S | 69.2 | Low | 81.6 | Confident | 99 Ų | 99 | 56.6 Ų | 56.6 | 69% | 0.692 | 31% | 0.311 | S | S | * | . | G | 310 helix | trans | -70.8 | -15.5 | -179.1 | 55.6 | 0 | 0 | 0 | 0 | 114 | N1019 | N1019-S1021 VanDerWaalsContact C-N 3.28Å; N1019-S1021 PolarHBondContact O-N 3Å |
| 1022 | T | 65.7 | Low | 82.1 | Confident | 102 Ų | 102 | 53.9 Ų | 53.9 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -110.7 | -6.6 | -172.1 | 45.1 | 0 | 0 | 0 | 0 | 114.8 | N1019 T1020 H1028 | N1019-T1022 PolarHBondContact O-OG1 2.77Å; T1020-T1022 PolarHBondContact O-N 2.7Å; T1022-H1028 PolarHBondContact OG1-CE1 3.18Å; T1022-H1028 PolarHBondContact OG1-NE2 3.4Å |
| 1023 | G | 73.2 | Confident | 82.3 | Confident | 28 Ų | 28 | 53.5 Ų | 53.5 | 29% | 0.289 | 30% | 0.299 | S | S | . | . | S | Bend | trans | 160.5 | 172.9 | -177.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1028 | G1023-H1028 PolarHBondContact N-NE2 2.96Š|
| 1024 | S | 82.4 | Confident | 82.2 | Confident | 43 Ų | 43 | 53.1 Ų | 53.1 | 30% | 0.301 | 30% | 0.297 | S | S | . | . | trans | -67.9 | 153.6 | 173.6 | 70.1 | 0 | 0 | 0 | 0 | 111.1 | E1026 D1027 H1028 | S1024-E1026 PolarHBondContact O-N 3.16Å; S1024-D1027 PolarHBondContact O-N 3Å; S1024-D1027 VanDerWaalsContact O-N 3.15Å; S1024-D1027 WeakPolarHBondContact OG-CB 3.44Å; S1024-D1027 PolarHBondContact OG-N 3.17Å; S1024-D1027 VanDerWaalsContact OG-N 3.13Å; S1024-D1027 PolarHBondContact OG-OD2 3.27Å; S1024-H1028 PolarHBondContact O-CD2 3.03Å; S1024-H1028 PolarHBondContact O-N 3.33Å; S1024-H1028 VanDerWaalsContact O-N 3.09Å | ||
| 1025 | Y | 87.5 | Confident | 82 | Confident | 2 Ų | 2 | 55.4 Ų | 55.4 | 1% | 0.008 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -53 | -42.2 | 173.4 | 170.4 | -91.5 | 0 | 0 | 0 | 111.4 | T983 F1018 D1027 H1028 L1029 V1050 Y1067 | T983-Y1025 PolarHBondContact OG1-OH 3.48Å; F1018-Y1025 AromaticContact CD2-CD2 3.68Å; F1018-Y1025 HydrophobicContact CD2-CD2 3.68Å; F1018-Y1025 AromaticContact CD2-CE2 3.65Å; F1018-Y1025 HydrophobicContact CD2-CE2 3.65Å; F1018-Y1025 HydrophobicContact CE2-CD2 4.36Å; F1018-Y1025 AromaticContact CE2-CE2 4Å; F1018-Y1025 HydrophobicContact CE2-CE2 4Å; Y1025-D1027 PolarHBondContact O-N 3.25Å; Y1025-H1028 PolarHBondContact O-N 3.1Å; Y1025-L1029 HydrophobicContact CE1-CD2 4.12Å; Y1025-L1029 WeakPolarHBondContact O-CB 3.29Å; Y1025-L1029 PolarHBondContact O-N 3.4Å; Y1025-V1050 HydrophobicContact CD1-CG2 3.88Å; Y1025-V1050 HydrophobicContact CD2-CG2 3.5Å; Y1025-V1050 VanDerWaalsContact CD2-CG2 3.5Å; Y1025-V1050 HydrophobicContact CE1-CG2 4.31Å; Y1025-V1050 HydrophobicContact CE2-CG2 3.95Å; Y1025-V1050 HydrophobicContact CG-CG2 3.45Å; Y1025-V1050 VanDerWaalsContact CG-CG2 3.45Å; Y1025-Y1067 AromaticContact CD1-CD2 3.98Å; Y1025-Y1067 HydrophobicContact CD1-CD2 3.98Å; Y1025-Y1067 HydrophobicContact CD1-CE1 4.19Å; Y1025-Y1067 AromaticContact CD1-CE2 3.49Å; Y1025-Y1067 HydrophobicContact CD1-CE2 3.49Å; Y1025-Y1067 VanDerWaalsContact CD1-CE2 3.49Å; Y1025-Y1067 HydrophobicContact CD1-CG 4.49Å; Y1025-Y1067 AromaticContact CD1-CZ 3.6Å; Y1025-Y1067 AromaticContact CE1-CD1 3.95Å; Y1025-Y1067 HydrophobicContact CE1-CD1 3.95Å; Y1025-Y1067 AromaticContact CE1-CD2 3.42Å; Y1025-Y1067 HydrophobicContact CE1-CD2 3.42Å; Y1025-Y1067 VanDerWaalsContact CE1-CD2 3.42Å; Y1025-Y1067 AromaticContact CE1-CE1 3.99Å; Y1025-Y1067 HydrophobicContact CE1-CE1 3.99Å; Y1025-Y1067 AromaticContact CE1-CE2 3.45Å; Y1025-Y1067 HydrophobicContact CE1-CE2 3.45Å; Y1025-Y1067 VanDerWaalsContact CE1-CE2 3.45Å; Y1025-Y1067 AromaticContact CE1-CG 3.66Å; Y1025-Y1067 HydrophobicContact CE1-CG 3.66Å; Y1025-Y1067 AromaticContact CE1-CZ 3.74Å; Y1025-Y1067 HydrophobicContact CG-CE2 4.34Å; Y1025-Y1067 AromaticContact CZ-CD2 3.91Å |
| 1026 | E | 88.2 | Confident | 81.8 | Confident | 22 Ų | 22 | 55 Ų | 55 | 10% | 0.103 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.9 | -43 | 178.8 | -63.7 | 92.1 | 152.6 | 0 | 0 | 112.1 | P211 S1024 L1030 R1065 Y1067 | P211-E1026 HydrophobicContact CG-CB 4.04Å; P211-E1026 HydrophobicContact CG-CG 4.26Å; S1024-E1026 PolarHBondContact O-N 3.16Å; E1026-L1030 WeakPolarHBondContact O-CB 3.48Å; E1026-L1030 VanDerWaalsContact O-CG 3.31Å; E1026-L1030 WeakPolarHBondContact O-CG 3.27Å; E1026-L1030 PolarHBondContact O-N 3.26Å; E1026-R1065 IonicContact OE1-NH1 3.8Å; E1026-R1065 PolarHBondContact OE1-NH1 2.86Å; E1026-Y1067 VanDerWaalsContact CD-OH 3.26Å; E1026-Y1067 PolarHBondContact OE1-OH 3.2Å |
| 1027 | D | 86.5 | Confident | 81.2 | Confident | 74 Ų | 74 | 58.7 Ų | 58.7 | 40% | 0.396 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -67.1 | -41.7 | 178.5 | -71.2 | -43.9 | 0 | 0 | 0 | 112.2 | S1024 Y1025 L1030 K1031 | S1024-D1027 PolarHBondContact O-N 3Å; S1024-D1027 VanDerWaalsContact O-N 3.15Å; S1024-D1027 WeakPolarHBondContact OG-CB 3.44Å; S1024-D1027 PolarHBondContact OG-N 3.17Å; S1024-D1027 VanDerWaalsContact OG-N 3.13Å; S1024-D1027 PolarHBondContact OG-OD2 3.27Å; Y1025-D1027 PolarHBondContact O-N 3.25Å; D1027-L1030 PolarHBondContact O-N 3.03Å; D1027-K1031 WeakPolarHBondContact O-CB 3.45Å; D1027-K1031 WeakPolarHBondContact O-CG 3.44Å; D1027-K1031 PolarHBondContact O-N 2.62Å |
| 1028 | H | 86.8 | Confident | 80.7 | Confident | 22 Ų | 22 | 55.8 Ų | 55.8 | 10% | 0.102 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.4 | -45.9 | 176.7 | -81.7 | -68.4 | 0 | 0 | 0 | 111.3 | F1018 T1022 G1023 S1024 Y1025 L1030 K1031 Q1032 | F1018-H1028 HydrophobicContact CB-CB 4.32Å; F1018-H1028 HydrophobicContact CD1-CB 3.84Å; F1018-H1028 HydrophobicContact CD2-CB 4.41Å; F1018-H1028 HydrophobicContact CE1-CB 4.18Å; F1018-H1028 HydrophobicContact CG-CB 3.95Å; T1022-H1028 PolarHBondContact OG1-CE1 3.18Å; T1022-H1028 PolarHBondContact OG1-NE2 3.4Å; G1023-H1028 PolarHBondContact N-NE2 2.96Å; S1024-H1028 PolarHBondContact O-CD2 3.03Å; S1024-H1028 PolarHBondContact O-N 3.33Å; S1024-H1028 VanDerWaalsContact O-N 3.09Å; Y1025-H1028 PolarHBondContact O-N 3.1Å; H1028-L1030 VanDerWaalsContact C-N 3.31Å; H1028-L1030 PolarHBondContact O-N 3.28Å; H1028-K1031 PolarHBondContact O-N 3.24Å; H1028-Q1032 PolarHBondContact ND1-NE2 2.99Å; H1028-Q1032 VanDerWaalsContact O-CB 3.32Å; H1028-Q1032 WeakPolarHBondContact O-CB 3.36Å; H1028-Q1032 PolarHBondContact O-N 3.01Å |
| 1029 | L | 88.1 | Confident | 80 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 32% | 0.317 | C | S | . | . | I | π-helix | trans | -59 | -43.7 | 176.8 | -171.6 | 71.3 | 0 | 0 | 0 | 111.3 | M210 P211 T983 F1018 Y1025 I1033 A1034 F1041 | M210-L1029 HydrophobicContact CB-CD2 4.04Å; M210-L1029 HydrophobicContact CG-CD2 3.97Å; M210-L1029 HydrophobicContact SD-CD2 4.18Å; P211-L1029 HydrophobicContact CG-CD2 4.25Å; T983-L1029 HydrophobicContact CG2-CD1 4Å; F1018-L1029 HydrophobicContact CE2-CB 4.38Å; F1018-L1029 HydrophobicContact CE2-CD1 4.09Å; F1018-L1029 HydrophobicContact CZ-CD1 4.34Å; Y1025-L1029 HydrophobicContact CE1-CD2 4.12Å; Y1025-L1029 WeakPolarHBondContact O-CB 3.29Å; Y1025-L1029 PolarHBondContact O-N 3.4Å; L1029-I1033 HydrophobicContact CD1-CD1 4.26Å; L1029-I1033 WeakPolarHBondContact O-CB 3.42Å; L1029-I1033 PolarHBondContact O-N 3.39Å; L1029-A1034 PolarHBondContact O-N 3.45Å; L1029-F1041 HydrophobicContact CD1-CE2 4.12Å; L1029-F1041 HydrophobicContact CD2-CE2 3.97Å; L1029-F1041 HydrophobicContact CD2-CZ 4.41Å; L1029-F1041 HydrophobicContact CG-CE2 3.94Å |
| 1030 | L | 87.6 | Confident | 80 | Confident | 15 Ų | 15 | 58.3 Ų | 58.3 | 8% | 0.079 | 31% | 0.312 | C | S | . | . | I | π-helix | trans | -67.9 | -51.6 | 178.2 | -74.4 | 173.8 | 0 | 0 | 0 | 112.6 | P55 P211 P213 E1026 D1027 H1028 A1034 I1035 | P55-L1030 HydrophobicContact CB-CD1 3.85Å; P55-L1030 HydrophobicContact CG-CD1 4.29Å; P211-L1030 HydrophobicContact CB-CD1 4.08Å; P211-L1030 HydrophobicContact CB-CD2 4.15Å; P211-L1030 HydrophobicContact CB-CG 4.16Å; P211-L1030 HydrophobicContact CG-CD1 4.25Å; P211-L1030 HydrophobicContact CG-CD2 4.21Å; P211-L1030 HydrophobicContact CG-CG 3.94Å; P213-L1030 HydrophobicContact CB-CD2 4.12Å; E1026-L1030 WeakPolarHBondContact O-CB 3.48Å; E1026-L1030 VanDerWaalsContact O-CG 3.31Å; E1026-L1030 WeakPolarHBondContact O-CG 3.27Å; E1026-L1030 PolarHBondContact O-N 3.26Å; D1027-L1030 PolarHBondContact O-N 3.03Å; H1028-L1030 VanDerWaalsContact C-N 3.31Å; H1028-L1030 PolarHBondContact O-N 3.28Å; L1030-A1034 HydrophobicContact CD2-CB 4.08Å; L1030-A1034 PolarHBondContact O-N 3.35Å; L1030-I1035 HydrophobicContact CB-CD1 4.49Å; L1030-I1035 WeakPolarHBondContact O-CB 3.35Å; L1030-I1035 VanDerWaalsContact O-CG1 3.31Å; L1030-I1035 WeakPolarHBondContact O-CG1 3.39Å; L1030-I1035 PolarHBondContact O-N 3.29Å |
| 1031 | K | 85.7 | Confident | 80.7 | Confident | 149 Ų | 149 | 56 Ų | 56 | 65% | 0.648 | 30% | 0.298 | S | S | * | . | I | π-helix | trans | -74 | -38.2 | -172.3 | -71 | 177.2 | -178 | 172.2 | 0 | 113.5 | D1027 H1028 P1036 | D1027-K1031 WeakPolarHBondContact O-CB 3.45Å; D1027-K1031 WeakPolarHBondContact O-CG 3.44Å; D1027-K1031 PolarHBondContact O-N 2.62Å; H1028-K1031 PolarHBondContact O-N 3.24Å; K1031-P1036 WeakPolarHBondContact O-CD 3.37Å; K1031-P1036 VanDerWaalsContact O-CG 3.32Å; K1031-P1036 WeakPolarHBondContact O-CG 3.31Å |
| 1032 | Q | 83.8 | Confident | 81.3 | Confident | 112 Ų | 112 | 51.6 Ų | 51.6 | 52% | 0.523 | 27% | 0.266 | S | S | . | . | I | π-helix | trans | -91.1 | -30.1 | -174.4 | -63.1 | -177.8 | -8.2 | 0 | 0 | 113 | H1028 | H1028-Q1032 PolarHBondContact ND1-NE2 2.99Å; H1028-Q1032 VanDerWaalsContact O-CB 3.32Å; H1028-Q1032 WeakPolarHBondContact O-CB 3.36Å; H1028-Q1032 PolarHBondContact O-N 3.01Å |
| 1033 | I | 83.6 | Confident | 81.9 | Confident | 16 Ų | 16 | 47.3 Ų | 47.3 | 8% | 0.082 | 24% | 0.239 | C | C | . | . | I | π-helix | trans | -116.9 | -56.7 | -173.7 | -52.6 | -172.3 | 0 | 0 | 0 | 111.7 | L981 T983 I1016 F1018 L1029 H1037 F1041 | L981-I1033 HydrophobicContact CD1-CG2 3.99Å; T983-I1033 HydrophobicContact CG2-CD1 3.79Å; I1016-I1033 HydrophobicContact CD1-CD1 4.14Å; F1018-I1033 HydrophobicContact CE1-CD1 4.44Å; F1018-I1033 HydrophobicContact CZ-CD1 3.69Å; F1018-I1033 HydrophobicContact CZ-CG1 4.29Å; L1029-I1033 HydrophobicContact CD1-CD1 4.26Å; L1029-I1033 WeakPolarHBondContact O-CB 3.42Å; L1029-I1033 PolarHBondContact O-N 3.39Å; I1033-H1037 PolarHBondContact O-N 3.11Å; I1033-F1041 HydrophobicContact CG2-CB 4.17Å; I1033-F1041 HydrophobicContact CG2-CD2 4.1Å |
| 1034 | A | 83 | Confident | 82.3 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 23% | 0.229 | C | C | . | . | I | π-helix | trans | -73.1 | -42.7 | -167.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P213 L1029 L1030 L1038 F1041 | P213-A1034 HydrophobicContact CB-CB 4.4Å; P213-A1034 HydrophobicContact CG-CB 4.01Å; L1029-A1034 PolarHBondContact O-N 3.45Å; L1030-A1034 HydrophobicContact CD2-CB 4.08Å; L1030-A1034 PolarHBondContact O-N 3.35Å; A1034-L1038 WeakPolarHBondContact O-CA 3.07Å; A1034-L1038 PolarHBondContact O-N 2.66Å; A1034-L1038 VanDerWaalsContact O-N 3.12Å; A1034-F1041 HydrophobicContact CB-CB 4.29Å; A1034-F1041 HydrophobicContact CB-CD1 3.78Å; A1034-F1041 HydrophobicContact CB-CD2 4.01Å; A1034-F1041 HydrophobicContact CB-CE1 4.03Å; A1034-F1041 HydrophobicContact CB-CE2 4.26Å; A1034-F1041 HydrophobicContact CB-CG 3.75Å; A1034-F1041 HydrophobicContact CB-CZ 4.26Å |
| 1035 | I | 82 | Confident | 82.6 | Confident | 103 Ų | 103 | 44.8 Ų | 44.8 | 53% | 0.528 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -45.9 | -179 | -66.2 | 167.8 | 0 | 0 | 0 | 112 | P213 L1030 H1037 | P213-I1035 HydrophobicContact CB-CG1 4.03Å; L1030-I1035 HydrophobicContact CB-CD1 4.49Å; L1030-I1035 WeakPolarHBondContact O-CB 3.35Å; L1030-I1035 VanDerWaalsContact O-CG1 3.31Å; L1030-I1035 WeakPolarHBondContact O-CG1 3.39Å; L1030-I1035 PolarHBondContact O-N 3.29Å; I1035-H1037 PolarHBondContact O-N 3.36Å |
| 1036 | P | 79.5 | Confident | 82.6 | Confident | 68 Ų | 68 | 44.8 Ų | 44.8 | 44% | 0.442 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -36.7 | -179.9 | -20.2 | 33.2 | 0 | 0 | 0 | 112.7 | K1031 | K1031-P1036 WeakPolarHBondContact O-CD 3.37Å; K1031-P1036 VanDerWaalsContact O-CG 3.32Å; K1031-P1036 WeakPolarHBondContact O-CG 3.31Å |
| 1037 | H | 75.7 | Confident | 82.7 | Confident | 128 Ų | 128 | 43.9 Ų | 43.9 | 59% | 0.593 | 21% | 0.21 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -140.5 | 64.2 | -171.5 | -60.9 | -49.3 | 0 | 0 | 0 | 112.2 | I1033 I1035 F1039 Y1040 F1041 | I1033-H1037 PolarHBondContact O-N 3.11Å; I1035-H1037 PolarHBondContact O-N 3.36Å; H1037-F1039 VanDerWaalsContact C-N 3.25Å; H1037-F1039 PolarHBondContact O-N 3.05Å; H1037-F1039 VanDerWaalsContact O-N 3.15Å; H1037-Y1040 PolarHBondContact O-N 3.23Å; H1037-F1041 PolarHBondContact O-N 3.27Å |
| 1038 | L | 75.9 | Confident | 82.9 | Confident | 44 Ų | 44 | 40.3 Ų | 40.3 | 23% | 0.23 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -50 | -42.7 | -178.4 | 178.6 | 54.8 | 0 | 0 | 0 | 113.7 | P213 A1034 F1041 R1042 | P213-L1038 HydrophobicContact CG-CD1 3.45Å; P213-L1038 VanDerWaalsContact CG-CD1 3.45Å; A1034-L1038 WeakPolarHBondContact O-CA 3.07Å; A1034-L1038 PolarHBondContact O-N 2.66Å; A1034-L1038 VanDerWaalsContact O-N 3.12Å; L1038-F1041 HydrophobicContact CD1-CD1 4.41Å; L1038-F1041 PolarHBondContact O-N 3.39Å; L1038-R1042 HydrophobicContact CD1-CG 4.31Å; L1038-R1042 WeakPolarHBondContact O-CG 3.43Å; L1038-R1042 PolarHBondContact O-N 3.05Å |
| 1039 | F | 71.1 | Confident | 83.2 | Confident | 50 Ų | 50 | 39.3 Ų | 39.3 | 22% | 0.219 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.6 | -44.2 | 179.7 | -174 | -108.1 | 0 | 0 | 0 | 112.6 | F158 A393 A406 H1037 F1041 R1042 L1043 | F158-F1039 HydrophobicContact CE2-CE2 4.47Å; A393-F1039 HydrophobicContact CB-CD2 3.96Å; A393-F1039 HydrophobicContact CB-CE2 4.5Å; A406-F1039 VanDerWaalsContact O-CE1 3.28Å; A406-F1039 WeakPolarHBondContact O-CE1 3.37Å; A406-F1039 WeakPolarHBondContact O-CZ 3.43Å; H1037-F1039 VanDerWaalsContact C-N 3.25Å; H1037-F1039 PolarHBondContact O-N 3.05Å; H1037-F1039 VanDerWaalsContact O-N 3.15Å; F1039-F1041 VanDerWaalsContact C-N 3.33Å; F1039-F1041 PolarHBondContact O-N 2.97Å; F1039-R1042 PolarHBondContact O-N 2.81Å; F1039-L1043 HydrophobicContact CD1-CD1 4.25Å; F1039-L1043 HydrophobicContact CD2-CD1 4.42Å; F1039-L1043 HydrophobicContact CE1-CD1 3.57Å; F1039-L1043 HydrophobicContact CE2-CD1 3.73Å; F1039-L1043 HydrophobicContact CZ-CD1 3.24Å; F1039-L1043 HydrophobicContact CZ-CG 4.44Å; F1039-L1043 PolarHBondContact O-N 3.5Å |
| 1040 | Y | 75.8 | Confident | 83.3 | Confident | 99 Ų | 99 | 39.3 Ų | 39.3 | 39% | 0.388 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -64.7 | -39.8 | 177.5 | -162.2 | -102.4 | 0 | 0 | 0 | 111 | L981 H1037 R1042 L1043 K1044 | L981-Y1040 HydrophobicContact CD1-CD1 3.51Å; L981-Y1040 HydrophobicContact CD1-CE1 3.32Å; L981-Y1040 HydrophobicContact CD2-CE1 3.95Å; L981-Y1040 HydrophobicContact CG-CD1 4.36Å; L981-Y1040 HydrophobicContact CG-CE1 3.68Å; H1037-Y1040 PolarHBondContact O-N 3.23Å; Y1040-R1042 PolarHBondContact O-N 3.43Å; Y1040-L1043 PolarHBondContact O-N 2.66Å; Y1040-K1044 HydrophobicContact CD1-CB 4.19Å; Y1040-K1044 HydrophobicContact CD1-CG 4.31Å; Y1040-K1044 HydrophobicContact CD2-CG 3.84Å; Y1040-K1044 HydrophobicContact CE1-CB 3.99Å; Y1040-K1044 HydrophobicContact CE1-CG 4.08Å; Y1040-K1044 HydrophobicContact CE2-CB 4.39Å; Y1040-K1044 HydrophobicContact CE2-CG 3.58Å; Y1040-K1044 HydrophobicContact CG-CB 4.48Å; Y1040-K1044 HydrophobicContact CG-CG 4.19Å; Y1040-K1044 WeakPolarHBondContact O-CB 3.48Å; Y1040-K1044 PolarHBondContact O-N 3.4Å |
| 1041 | F | 83.7 | Confident | 83.3 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -59.2 | -45.2 | 173.9 | 171.4 | -109.4 | 0 | 0 | 0 | 112.9 | M210 L1029 I1033 A1034 H1037 L1038 F1039 L1043 S1045 Q1069 | M210-F1041 HydrophobicContact CB-CZ 4.05Å; M210-F1041 HydrophobicContact SD-CE2 4Å; M210-F1041 HydrophobicContact SD-CZ 4.29Å; L1029-F1041 HydrophobicContact CD1-CE2 4.12Å; L1029-F1041 HydrophobicContact CD2-CE2 3.97Å; L1029-F1041 HydrophobicContact CD2-CZ 4.41Å; L1029-F1041 HydrophobicContact CG-CE2 3.94Å; I1033-F1041 HydrophobicContact CG2-CB 4.17Å; I1033-F1041 HydrophobicContact CG2-CD2 4.1Å; A1034-F1041 HydrophobicContact CB-CB 4.29Å; A1034-F1041 HydrophobicContact CB-CD1 3.78Å; A1034-F1041 HydrophobicContact CB-CD2 4.01Å; A1034-F1041 HydrophobicContact CB-CE1 4.03Å; A1034-F1041 HydrophobicContact CB-CE2 4.26Å; A1034-F1041 HydrophobicContact CB-CG 3.75Å; A1034-F1041 HydrophobicContact CB-CZ 4.26Å; H1037-F1041 PolarHBondContact O-N 3.27Å; L1038-F1041 HydrophobicContact CD1-CD1 4.41Å; L1038-F1041 PolarHBondContact O-N 3.39Å; F1039-F1041 VanDerWaalsContact C-N 3.33Å; F1039-F1041 PolarHBondContact O-N 2.97Å; F1041-L1043 VanDerWaalsContact C-N 3.35Å; F1041-L1043 PolarHBondContact O-N 2.83Å; F1041-S1045 WeakPolarHBondContact O-CB 3.33Å; F1041-S1045 PolarHBondContact O-N 3.36Å; F1041-Q1069 VanDerWaalsContact CZ-NE2 3.26Å |
| 1042 | R | 82.5 | Confident | 83.1 | Confident | 7 Ų | 7 | 33.3 Ų | 33.3 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.3 | -37.1 | -179.3 | -72.2 | -176.5 | -170.8 | -163.5 | 10.5 | 113.1 | K159 G160 L1038 F1039 Y1040 E1071 | K159-R1042 PolarHBondContact O-NH1 3.09Å; G160-R1042 PolarHBondContact O-NH2 3.16Å; G160-R1042 VanDerWaalsContact O-NH2 3.13Å; L1038-R1042 HydrophobicContact CD1-CG 4.31Å; L1038-R1042 WeakPolarHBondContact O-CG 3.43Å; L1038-R1042 PolarHBondContact O-N 3.05Å; F1039-R1042 PolarHBondContact O-N 2.81Å; Y1040-R1042 PolarHBondContact O-N 3.43Å; R1042-E1071 HydrophobicContact CB-CG 4.43Å; R1042-E1071 HydrophobicContact CG-CG 4.11Å |
| 1043 | L | 77.1 | Confident | 82.6 | Confident | 11 Ų | 11 | 29.1 Ų | 29.1 | 6% | 0.058 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -96.3 | -33.4 | -173.1 | -75 | 175.7 | 0 | 0 | 0 | 114.7 | F154 F158 P408 F1039 Y1040 F1041 I1046 | F154-L1043 HydrophobicContact CD1-CD2 4.32Å; F154-L1043 HydrophobicContact CD2-CD2 4.15Å; F154-L1043 HydrophobicContact CE1-CD2 4.16Å; F154-L1043 HydrophobicContact CE2-CD2 3.97Å; F154-L1043 HydrophobicContact CG-CD2 4.29Å; F154-L1043 HydrophobicContact CZ-CD2 3.95Å; F158-L1043 HydrophobicContact CE2-CD2 3.99Å; F158-L1043 HydrophobicContact CE2-CG 4.4Å; F158-L1043 HydrophobicContact CZ-CD2 3.57Å; F158-L1043 HydrophobicContact CZ-CG 4.18Å; P408-L1043 VanDerWaalsContact CD-CD1 3.48Å; P408-L1043 HydrophobicContact CG-CD1 3.75Å; F1039-L1043 HydrophobicContact CD1-CD1 4.25Å; F1039-L1043 HydrophobicContact CD2-CD1 4.42Å; F1039-L1043 HydrophobicContact CE1-CD1 3.57Å; F1039-L1043 HydrophobicContact CE2-CD1 3.73Å; F1039-L1043 HydrophobicContact CZ-CD1 3.24Å; F1039-L1043 HydrophobicContact CZ-CG 4.44Å; F1039-L1043 PolarHBondContact O-N 3.5Å; Y1040-L1043 PolarHBondContact O-N 2.66Å; F1041-L1043 VanDerWaalsContact C-N 3.35Å; F1041-L1043 PolarHBondContact O-N 2.83Å; L1043-I1046 WeakPolarHBondContact O-CD1 3.34Å |
| 1044 | K | 82.2 | Confident | 81.7 | Confident | 19 Ų | 19 | 34.8 Ų | 34.8 | 8% | 0.083 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -103.1 | -26.3 | -172.4 | -61.1 | -60.2 | -165.4 | 176.8 | 0 | 113.7 | K978 L980 L981 Y1040 I1046 | K978-K1044 PolarHBondContact O-NZ 3.3Å; L980-K1044 CarbonylContact C-O 3.57Å; L980-K1044 HydrophobicContact CD2-CD 4.3Å; L981-K1044 HydrophobicContact CD1-CB 4.19Å; L981-K1044 HydrophobicContact CG-CB 4.13Å; L981-K1044 PolarHBondContact N-O 3.28Å; Y1040-K1044 HydrophobicContact CD1-CB 4.19Å; Y1040-K1044 HydrophobicContact CD1-CG 4.31Å; Y1040-K1044 HydrophobicContact CD2-CG 3.84Å; Y1040-K1044 HydrophobicContact CE1-CB 3.99Å; Y1040-K1044 HydrophobicContact CE1-CG 4.08Å; Y1040-K1044 HydrophobicContact CE2-CB 4.39Å; Y1040-K1044 HydrophobicContact CE2-CG 3.58Å; Y1040-K1044 HydrophobicContact CG-CB 4.48Å; Y1040-K1044 HydrophobicContact CG-CG 4.19Å; Y1040-K1044 WeakPolarHBondContact O-CB 3.48Å; Y1040-K1044 PolarHBondContact O-N 3.4Å; K1044-I1046 PolarHBondContact O-N 3.42Å |
| 1045 | S | 87.8 | Confident | 80.4 | Confident | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 20% | 0.195 | C | C | . | . | trans | -94.8 | 88.3 | 178.5 | -172.7 | 0 | 0 | 0 | 0 | 110.3 | F1041 Q1069 | F1041-S1045 WeakPolarHBondContact O-CB 3.33Å; F1041-S1045 PolarHBondContact O-N 3.36Å; S1045-Q1069 VanDerWaalsContact O-CB 3.27Å; S1045-Q1069 WeakPolarHBondContact O-CB 3.3Å | ||
| 1046 | I | 87.2 | Confident | 79.3 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 1% | 0.01 | 19% | 0.191 | C | C | . | . | trans | -90.6 | -45.1 | -174.3 | -51.1 | -58.3 | 0 | 0 | 0 | 112.5 | F154 L973 Y976 L980 L1043 K1044 F1068 Q1069 A1075 | F154-I1046 HydrophobicContact CE1-CD1 4.14Å; F154-I1046 HydrophobicContact CZ-CD1 3.63Å; L973-I1046 HydrophobicContact CD2-CB 4.11Å; L973-I1046 HydrophobicContact CD2-CG2 4.12Å; Y976-I1046 HydrophobicContact CD1-CD1 3.73Å; Y976-I1046 HydrophobicContact CD1-CG1 4.1Å; Y976-I1046 HydrophobicContact CE1-CD1 4.2Å; Y976-I1046 HydrophobicContact CG-CD1 4.35Å; Y976-I1046 HydrophobicContact CG-CG1 4.22Å; L980-I1046 HydrophobicContact CD2-CG1 4.1Å; L1043-I1046 WeakPolarHBondContact O-CD1 3.34Å; K1044-I1046 PolarHBondContact O-N 3.42Å; I1046-F1068 WeakPolarHBondContact O-CA 3.32Å; I1046-Q1069 WeakPolarHBondContact O-CB 3.4Å; I1046-Q1069 PolarHBondContact O-N 2.99Å; I1046-A1075 HydrophobicContact CG2-CB 3.81Å | ||
| 1047 | I | 91.6 | Very high | 78.1 | Confident | 2 Ų | 2 | 40.6 Ų | 40.6 | 1% | 0.01 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -135.1 | 156.8 | -177.7 | 65.9 | 175.5 | 0 | 0 | 0 | 110.2 | L973 L982 F1008 Y1067 I1078 A1082 | L973-I1047 HydrophobicContact CD1-CD1 3.89Å; L973-I1047 HydrophobicContact CD1-CG1 4.32Å; L973-I1047 HydrophobicContact CD2-CD1 4.09Å; L973-I1047 HydrophobicContact CD2-CG1 4.23Å; L973-I1047 HydrophobicContact CD2-CG2 4.49Å; L973-I1047 HydrophobicContact CG-CD1 4.2Å; L982-I1047 HydrophobicContact CD1-CD1 4Å; L982-I1047 HydrophobicContact CD1-CG1 3.59Å; F1008-I1047 HydrophobicContact CE1-CD1 4.2Å; F1008-I1047 HydrophobicContact CZ-CD1 3.89Å; I1047-Y1067 CarbonylContact C-O 3.56Å; I1047-Y1067 WeakPolarHBondContact CA-O 3.26Å; I1047-I1078 HydrophobicContact CG2-CG2 4.32Å; I1047-A1082 HydrophobicContact CD1-CB 4.09Å |
| 1048 | G | 91.3 | Very high | 77 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.7 | 168 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T983 Y1067 | T983-G1048 CarbonylContact O-C 3.56Å; T983-G1048 WeakPolarHBondContact O-CA 3.46Å; G1048-Y1067 PolarHBondContact N-O 3.38Å; G1048-Y1067 PolarHBondContact O-N 2.98Å |
| 1049 | L | 91.7 | Very high | 76.1 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.2 | 125.1 | -174.4 | 177.7 | 66.7 | 0 | 0 | 0 | 111.9 | T983 F984 S985 F1000 Y1004 V1051 L1064 V1083 | T983-L1049 PolarHBondContact O-N 3.09Å; F984-L1049 CarbonylContact C-O 3.55Å; F984-L1049 WeakPolarHBondContact CA-O 3.47Å; F984-L1049 HydrophobicContact CB-CB 4.31Å; F984-L1049 WeakPolarHBondContact CB-O 2.94Å; S985-L1049 PolarHBondContact N-O 3.5Å; F1000-L1049 HydrophobicContact CE1-CD2 3.96Å; Y1004-L1049 HydrophobicContact CD1-CD2 3.68Å; Y1004-L1049 HydrophobicContact CD2-CD2 4.05Å; Y1004-L1049 HydrophobicContact CE1-CB 4.22Å; Y1004-L1049 HydrophobicContact CE1-CD2 3.87Å; Y1004-L1049 HydrophobicContact CE2-CD2 4.23Å; Y1004-L1049 HydrophobicContact CG-CD2 3.77Å; L1049-V1051 HydrophobicContact CD1-CG2 4.31Å; L1049-V1051 HydrophobicContact CD2-CG2 3.79Å; L1049-V1051 HydrophobicContact CG-CG2 3.82Å; L1049-L1064 HydrophobicContact CD1-CB 4.42Å; L1049-L1064 HydrophobicContact CD1-CD2 4.5Å; L1049-V1083 HydrophobicContact CD1-CG2 3.97Å |
| 1050 | V | 90.4 | Very high | 75.7 | Confident | 1 Ų | 1 | 47.2 Ų | 47.2 | 1% | 0.006 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 121.6 | 167.5 | 175.1 | 0 | 0 | 0 | 0 | 109.1 | S985 E987 Y1025 R1065 Y1067 | S985-V1050 WeakPolarHBondContact O-CA 3.41Å; E987-V1050 HydrophobicContact CB-CG1 4.36Å; E987-V1050 HydrophobicContact CG-CG1 3.8Å; E987-V1050 WeakPolarHBondContact OE1-CG1 3.38Å; E987-V1050 WeakPolarHBondContact OE2-CG1 3.31Å; Y1025-V1050 HydrophobicContact CD1-CG2 3.88Å; Y1025-V1050 HydrophobicContact CD2-CG2 3.5Å; Y1025-V1050 VanDerWaalsContact CD2-CG2 3.5Å; Y1025-V1050 HydrophobicContact CE1-CG2 4.31Å; Y1025-V1050 HydrophobicContact CE2-CG2 3.95Å; Y1025-V1050 HydrophobicContact CG-CG2 3.45Å; Y1025-V1050 VanDerWaalsContact CG-CG2 3.45Å; V1050-R1065 HydrophobicContact CB-CB 4.26Å; V1050-R1065 PolarHBondContact N-O 3.23Å; V1050-R1065 PolarHBondContact O-N 3.41Å; V1050-Y1067 HydrophobicContact CB-CE2 4.11Å; V1050-Y1067 HydrophobicContact CG2-CD2 4.02Å; V1050-Y1067 HydrophobicContact CG2-CE2 3.52Å |
| 1051 | V | 87.3 | Confident | 75.5 | Confident | 0 Ų | 0 | 44.3 Ų | 44.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.2 | 123.5 | 179.5 | -173 | 0 | 0 | 0 | 0 | 108.8 | S985 E987 T997 F1000 I1001 L1049 I1062 L1064 | S985-V1051 PolarHBondContact O-N 2.7Å; E987-V1051 PolarHBondContact N-O 2.86Å; T997-V1051 HydrophobicContact CG2-CG1 3.44Å; T997-V1051 VanDerWaalsContact CG2-CG1 3.44Å; F1000-V1051 HydrophobicContact CD1-CG2 4.16Å; F1000-V1051 HydrophobicContact CE1-CG2 4.47Å; I1001-V1051 HydrophobicContact CD1-CG2 4.16Å; I1001-V1051 HydrophobicContact CG1-CG2 3.85Å; L1049-V1051 HydrophobicContact CD1-CG2 4.31Å; L1049-V1051 HydrophobicContact CD2-CG2 3.79Å; L1049-V1051 HydrophobicContact CG-CG2 3.82Å; V1051-I1062 HydrophobicContact CG1-CG2 4.31Å; V1051-L1064 HydrophobicContact CB-CD2 4.19Å; V1051-L1064 HydrophobicContact CG1-CD2 3.74Å; V1051-L1064 HydrophobicContact CG2-CD2 3.88Å |
| 1052 | N | 81.9 | Confident | 75.1 | Confident | 37 Ų | 37 | 45.4 Ų | 45.4 | 20% | 0.198 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.4 | 179.1 | -168 | -38 | 0 | 0 | 0 | 110 | E987 S1063 | E987-N1052 HydrophobicContact CB-CB 4.17Å; E987-N1052 PolarHBondContact OE2-ND2 3.29Å; N1052-S1063 PolarHBondContact N-O 3.45Å; N1052-S1063 CarbonylContact O-C 3.59Å; N1052-S1063 WeakPolarHBondContact O-CA 3.36Å; N1052-S1063 WeakPolarHBondContact O-CB 3.49Å; N1052-S1063 PolarHBondContact O-N 3.22Å |
| 1053 | T | 73.4 | Confident | 75.1 | Confident | 24 Ų | 24 | 46 Ų | 46 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 110.3 | 176.6 | 55.2 | 0 | 0 | 0 | 0 | 110.1 | A988 K993 T997 | A988-T1053 HydrophobicContact CB-CG2 4.24Å; K993-T1053 HydrophobicContact CB-CG2 4.39Å; K993-T1053 WeakPolarHBondContact CD-OG1 3.42Å; T997-T1053 HydrophobicContact CG2-CG2 3.49Å; T997-T1053 VanDerWaalsContact CG2-CG2 3.49Å |
| 1054 | K | 64.8 | Low | 75.6 | Confident | 136 Ų | 136 | 45.4 Ų | 45.4 | 59% | 0.591 | 25% | 0.245 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 113.8 | 170.9 | -71 | -168.8 | 177.6 | -169.6 | 0 | 109.2 | T1056 | K1054-T1056 PolarHBondContact O-N 3.43Å |
| 1055 | S | 56.6 | Low | 76 | Confident | 80 Ų | 80 | 47.7 Ų | 47.7 | 56% | 0.559 | 25% | 0.253 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -83 | 106.5 | 175.8 | 148.3 | 0 | 0 | 0 | 0 | 109.6 | ||
| 1056 | T | 58 | Low | 76.2 | Confident | 73 Ų | 73 | 47.7 Ų | 47.7 | 45% | 0.448 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 143.1 | 156.4 | 48.4 | 0 | 0 | 0 | 0 | 108.5 | K1054 K1058 D1059 | K1054-T1056 PolarHBondContact O-N 3.43Å; T1056-K1058 PolarHBondContact O-N 3.18Å; T1056-D1059 PolarHBondContact O-N 3Å; T1056-D1059 VanDerWaalsContact O-N 3.17Å; T1056-D1059 PolarHBondContact OG1-O 2.73Å |
| 1057 | P | 53.8 | Low | 76.4 | Confident | 140 Ų | 140 | 47.6 Ų | 47.6 | 91% | 0.909 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | 2.5 | -169.9 | 22.4 | -33.3 | 0 | 0 | 0 | 116.3 | ||
| 1058 | K | 53.4 | Low | 76.4 | Confident | 194 Ų | 194 | 47.5 Ų | 47.5 | 84% | 0.843 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -122.8 | -15.6 | 177.7 | -67.5 | -171.1 | 176.7 | -176.8 | 0 | 115.3 | T1056 | T1056-K1058 PolarHBondContact O-N 3.18Š|
| 1059 | D | 57.2 | Low | 76.2 | Confident | 45 Ų | 45 | 47.5 Ų | 47.5 | 24% | 0.241 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 130.3 | -174.9 | -76.7 | -19.1 | 0 | 0 | 0 | 110.9 | K202 T1056 I1061 | K202-D1059 IonicContact NZ-OD2 2.73Å; K202-D1059 PolarHBondContact NZ-OD2 3.33Å; T1056-D1059 PolarHBondContact O-N 3Å; T1056-D1059 VanDerWaalsContact O-N 3.17Å; T1056-D1059 PolarHBondContact OG1-O 2.73Å; D1059-I1061 HydrophobicContact CB-CD1 4.16Å; D1059-I1061 HydrophobicContact CB-CG1 3.79Å; D1059-I1061 PolarHBondContact O-N 3.42Å |
| 1060 | N | 62.8 | Low | 75.9 | Confident | 122 Ų | 122 | 47.5 Ų | 47.5 | 65% | 0.652 | 25% | 0.252 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.9 | 93.1 | 165.6 | -89.9 | -13.2 | 0 | 0 | 0 | 109.1 | ||
| 1061 | I | 69.9 | Low | 75.5 | Confident | 38 Ų | 38 | 47.5 Ų | 47.5 | 20% | 0.195 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.3 | 114.6 | -179.1 | -55.4 | -179.1 | 0 | 0 | 0 | 109.1 | K202 K204 D1059 S1063 | K202-I1061 HydrophobicContact CB-CG1 4.27Å; K202-I1061 WeakPolarHBondContact O-CG2 3.23Å; K204-I1061 HydrophobicContact CB-CG2 4.04Å; D1059-I1061 HydrophobicContact CB-CD1 4.16Å; D1059-I1061 HydrophobicContact CB-CG1 3.79Å; D1059-I1061 PolarHBondContact O-N 3.42Å; I1061-S1063 PolarHBondContact O-N 3.37Å |
| 1062 | I | 75.3 | Confident | 75.3 | Confident | 23 Ų | 23 | 47.5 Ų | 47.5 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.9 | 113.8 | 167.8 | -57.2 | 176.5 | 0 | 0 | 0 | 107.3 | K204 V1051 L1064 Y1090 | K204-I1062 PolarHBondContact N-O 2.87Å; V1051-I1062 HydrophobicContact CG1-CG2 4.31Å; I1062-L1064 HydrophobicContact CG2-CD2 3.64Å; I1062-L1064 HydrophobicContact CG2-CG 4.06Å; I1062-Y1090 HydrophobicContact CD1-CE1 4.29Å |
| 1063 | S | 84 | Confident | 75.3 | Confident | 18 Ų | 18 | 47.4 Ų | 47.4 | 13% | 0.126 | 25% | 0.25 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | 108.1 | 177.1 | -175.7 | 0 | 0 | 0 | 0 | 108.8 | K204 N1052 I1061 | K204-S1063 WeakPolarHBondContact O-CA 3.48Å; N1052-S1063 PolarHBondContact N-O 3.45Å; N1052-S1063 CarbonylContact O-C 3.59Å; N1052-S1063 WeakPolarHBondContact O-CA 3.36Å; N1052-S1063 WeakPolarHBondContact O-CB 3.49Å; N1052-S1063 PolarHBondContact O-N 3.22Å; I1061-S1063 PolarHBondContact O-N 3.37Å |
| 1064 | L | 87.3 | Confident | 76 | Confident | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 126.4 | 176.9 | -57.6 | -175.9 | 0 | 0 | 0 | 109.8 | L203 K204 V206 F1000 L1049 V1051 I1062 V1083 | L203-L1064 HydrophobicContact CD1-CD1 3.56Å; L203-L1064 HydrophobicContact CD1-CG 3.91Å; K204-L1064 PolarHBondContact O-N 2.89Å; V206-L1064 PolarHBondContact N-O 2.87Å; F1000-L1064 HydrophobicContact CD1-CD2 4.1Å; F1000-L1064 HydrophobicContact CE1-CD1 3.66Å; F1000-L1064 HydrophobicContact CE1-CD2 3.73Å; F1000-L1064 HydrophobicContact CE1-CG 4.38Å; F1000-L1064 HydrophobicContact CE2-CD1 3.83Å; F1000-L1064 HydrophobicContact CZ-CD1 3.2Å; F1000-L1064 HydrophobicContact CZ-CD2 4.11Å; F1000-L1064 HydrophobicContact CZ-CG 4.31Å; L1049-L1064 HydrophobicContact CD1-CB 4.42Å; L1049-L1064 HydrophobicContact CD1-CD2 4.5Å; V1051-L1064 HydrophobicContact CB-CD2 4.19Å; V1051-L1064 HydrophobicContact CG1-CD2 3.74Å; V1051-L1064 HydrophobicContact CG2-CD2 3.88Å; I1062-L1064 HydrophobicContact CG2-CD2 3.64Å; I1062-L1064 HydrophobicContact CG2-CG 4.06Å; L1064-V1083 HydrophobicContact CB-CG1 4.23Å; L1064-V1083 HydrophobicContact CD1-CG1 3.43Å; L1064-V1083 VanDerWaalsContact CD1-CG1 3.43Å; L1064-V1083 HydrophobicContact CG-CG1 4.49Å |
| 1065 | R | 89.8 | Confident | 77.1 | Confident | 66 Ų | 66 | 39.9 Ų | 39.9 | 25% | 0.249 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 102.2 | 172 | -173.3 | -167.3 | -65.9 | -179.6 | 19.6 | 108.2 | V206 Q208 E1026 V1050 Y1067 | V206-R1065 CarbonylContact O-C 3.57Å; V206-R1065 WeakPolarHBondContact O-CA 3.34Å; Q208-R1065 HydrophobicContact CB-CG 4.18Å; E1026-R1065 IonicContact OE1-NH1 3.8Å; E1026-R1065 PolarHBondContact OE1-NH1 2.86Å; V1050-R1065 HydrophobicContact CB-CB 4.26Å; V1050-R1065 PolarHBondContact N-O 3.23Å; V1050-R1065 PolarHBondContact O-N 3.41Å; R1065-Y1067 WeakPolarHBondContact CD-OH 3.26Å; R1065-Y1067 HydrophobicContact CG-CE2 3.97Å; R1065-Y1067 PolarHBondContact NH1-OH 2.86Å |
| 1066 | A | 91.7 | Very high | 78.6 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 121.7 | 178.5 | 0 | 0 | 0 | 0 | 0 | 109.4 | V206 L207 Q208 S1079 V1083 | V206-A1066 PolarHBondContact O-N 3.48Å; L207-A1066 WeakPolarHBondContact CA-O 3.24Å; L207-A1066 HydrophobicContact CD2-CB 3.69Å; Q208-A1066 PolarHBondContact N-O 3.49Å; A1066-S1079 VanDerWaalsContact CB-OG 3.26Å; A1066-S1079 WeakPolarHBondContact CB-OG 3.25Å; A1066-V1083 HydrophobicContact CB-CG2 3.62Å |
| 1067 | Y | 92.2 | Very high | 80 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 142.9 | 172.6 | -76.3 | -88.6 | 0 | 0 | 0 | 110.8 | Q208 M210 Y1025 E1026 I1047 G1048 V1050 R1065 S1079 | Q208-Y1067 HydrophobicContact CB-CD1 4.19Å; Q208-Y1067 HydrophobicContact CB-CE1 3.96Å; Q208-Y1067 HydrophobicContact CG-CD1 4.35Å; Q208-Y1067 HydrophobicContact CG-CE1 3.8Å; Q208-Y1067 WeakPolarHBondContact O-CA 3.49Å; M210-Y1067 HydrophobicContact CG-CD1 4.25Å; Y1025-Y1067 AromaticContact CD1-CD2 3.98Å; Y1025-Y1067 HydrophobicContact CD1-CD2 3.98Å; Y1025-Y1067 HydrophobicContact CD1-CE1 4.19Å; Y1025-Y1067 AromaticContact CD1-CE2 3.49Å; Y1025-Y1067 HydrophobicContact CD1-CE2 3.49Å; Y1025-Y1067 VanDerWaalsContact CD1-CE2 3.49Å; Y1025-Y1067 HydrophobicContact CD1-CG 4.49Å; Y1025-Y1067 AromaticContact CD1-CZ 3.6Å; Y1025-Y1067 AromaticContact CE1-CD1 3.95Å; Y1025-Y1067 HydrophobicContact CE1-CD1 3.95Å; Y1025-Y1067 AromaticContact CE1-CD2 3.42Å; Y1025-Y1067 HydrophobicContact CE1-CD2 3.42Å; Y1025-Y1067 VanDerWaalsContact CE1-CD2 3.42Å; Y1025-Y1067 AromaticContact CE1-CE1 3.99Å; Y1025-Y1067 HydrophobicContact CE1-CE1 3.99Å; Y1025-Y1067 AromaticContact CE1-CE2 3.45Å; Y1025-Y1067 HydrophobicContact CE1-CE2 3.45Å; Y1025-Y1067 VanDerWaalsContact CE1-CE2 3.45Å; Y1025-Y1067 AromaticContact CE1-CG 3.66Å; Y1025-Y1067 HydrophobicContact CE1-CG 3.66Å; Y1025-Y1067 AromaticContact CE1-CZ 3.74Å; Y1025-Y1067 HydrophobicContact CG-CE2 4.34Å; Y1025-Y1067 AromaticContact CZ-CD2 3.91Å; E1026-Y1067 VanDerWaalsContact CD-OH 3.26Å; E1026-Y1067 PolarHBondContact OE1-OH 3.2Å; I1047-Y1067 CarbonylContact C-O 3.56Å; I1047-Y1067 WeakPolarHBondContact CA-O 3.26Å; G1048-Y1067 PolarHBondContact N-O 3.38Å; G1048-Y1067 PolarHBondContact O-N 2.98Å; V1050-Y1067 HydrophobicContact CB-CE2 4.11Å; V1050-Y1067 HydrophobicContact CG2-CD2 4.02Å; V1050-Y1067 HydrophobicContact CG2-CE2 3.52Å; R1065-Y1067 WeakPolarHBondContact CD-OH 3.26Å; R1065-Y1067 HydrophobicContact CG-CE2 3.97Å; R1065-Y1067 PolarHBondContact NH1-OH 2.86Å; Y1067-S1079 PolarHBondContact O-OG 2.94Å |
| 1068 | F | 90.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 13% | 0.125 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -138.1 | 149.4 | 170.8 | 65.3 | -86.9 | 0 | 0 | 0 | 110.7 | F61 I167 L207 Q208 R209 M210 I1046 A1075 A1076 | F61-F1068 AromaticContact CE1-CE1 3.93Å; F61-F1068 HydrophobicContact CE1-CE1 3.93Å; F61-F1068 HydrophobicContact CE1-CZ 4.01Å; F61-F1068 HydrophobicContact CZ-CE1 4.23Å; F61-F1068 HydrophobicContact CZ-CZ 4.37Å; I167-F1068 WeakPolarHBondContact O-CZ 3.44Å; L207-F1068 HydrophobicContact CB-CD1 4.4Å; L207-F1068 HydrophobicContact CB-CE1 4.03Å; Q208-F1068 VanDerWaalsContact O-CD1 3.3Å; Q208-F1068 WeakPolarHBondContact O-CD1 3.45Å; Q208-F1068 WeakPolarHBondContact O-CE1 3.04Å; Q208-F1068 PolarHBondContact O-N 3.35Å; Q208-F1068 VanDerWaalsContact O-N 3.1Å; R209-F1068 WeakPolarHBondContact CA-O 3.28Å; R209-F1068 HydrophobicContact CB-CE1 4.42Å; R209-F1068 HydrophobicContact CB-CE2 4.08Å; R209-F1068 HydrophobicContact CB-CZ 3.88Å; R209-F1068 HydrophobicContact CG-CE2 4.24Å; M210-F1068 PolarHBondContact N-O 2.96Å; I1046-F1068 WeakPolarHBondContact O-CA 3.32Å; F1068-A1075 HydrophobicContact CB-CB 4.1Å; F1068-A1076 HydrophobicContact CD1-CB 4.23Å; F1068-A1076 HydrophobicContact CD2-CB 3.81Å; F1068-A1076 HydrophobicContact CE1-CB 4.38Å; F1068-A1076 HydrophobicContact CE2-CB 3.96Å; F1068-A1076 HydrophobicContact CG-CB 3.96Å; F1068-A1076 HydrophobicContact CZ-CB 4.25Å |
| 1069 | Q | 88.1 | Confident | 83.5 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | trans | -82.2 | 131.1 | 176.4 | -177.9 | 57.5 | -82.7 | 0 | 0 | 110.8 | M210 F1041 S1045 I1046 E1071 A1075 | M210-Q1069 HydrophobicContact SD-CB 4.27Å; F1041-Q1069 VanDerWaalsContact CZ-NE2 3.26Å; S1045-Q1069 VanDerWaalsContact O-CB 3.27Å; S1045-Q1069 WeakPolarHBondContact O-CB 3.3Å; I1046-Q1069 WeakPolarHBondContact O-CB 3.4Å; I1046-Q1069 PolarHBondContact O-N 2.99Å; Q1069-E1071 HydrophobicContact CG-CB 4.19Å; Q1069-A1075 WeakPolarHBondContact O-CB 3.47Å | ||
| 1070 | G | 84.5 | Confident | 85.1 | Confident | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.073 | C | C | . | . | S | Bend | trans | -82.7 | -10.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.4 | R163 | R163-G1070 PolarHBondContact NE-O 2.95Å; R163-G1070 PolarHBondContact NH2-O 3.15Å; R163-G1070 VanDerWaalsContact NH2-O 3.16Å |
| 1071 | E | 81.8 | Confident | 86.4 | Confident | 1 Ų | 1 | 9.5 Ų | 9.5 | 1% | 0.005 | 5% | 0.045 | C | C | . | . | S | Bend | trans | -72.4 | -39.2 | 174.9 | -68.8 | -54.5 | 125.8 | 0 | 0 | 112 | P155 F158 P162 R163 R1042 Q1069 | P155-E1071 VanDerWaalsContact CD-O 3.27Å; P155-E1071 WeakPolarHBondContact CD-O 3.39Å; F158-E1071 HydrophobicContact CE1-CB 4.21Å; P162-E1071 VanDerWaalsContact CA-OE1 3.29Å; P162-E1071 WeakPolarHBondContact CA-OE1 3.31Å; R163-E1071 PolarHBondContact N-OE1 3.38Å; R163-E1071 PolarHBondContact NE-O 3.27Å; R163-E1071 VanDerWaalsContact NE-O 3.09Å; R1042-E1071 HydrophobicContact CB-CG 4.43Å; R1042-E1071 HydrophobicContact CG-CG 4.11Å; Q1069-E1071 HydrophobicContact CG-CB 4.19Å |
| 1072 | S | 84.1 | Confident | 87.4 | Confident | 0 Ų | 0 | 8 Ų | 8 | 0% | 0 | 4% | 0.038 | C | C | . | . | S | Bend | trans | -68.3 | 137.1 | 174.2 | 162.5 | 0 | 0 | 0 | 0 | 110.9 | R163 Y976 H1074 A1075 | R163-S1072 PolarHBondContact NH2-O 3.21Å; R163-S1072 VanDerWaalsContact NH2-O 3.16Å; Y976-S1072 WeakPolarHBondContact CE1-OG 3.35Å; Y976-S1072 VanDerWaalsContact CZ-OG 3.24Å; Y976-S1072 PolarHBondContact OH-OG 3.26Å; S1072-H1074 VanDerWaalsContact C-N 3.32Å; S1072-H1074 PolarHBondContact OG-N 3.19Å; S1072-A1075 WeakPolarHBondContact OG-CB 3.48Å; S1072-A1075 PolarHBondContact OG-N 3.45Å |
| 1073 | F | 82.7 | Confident | 88.1 | Confident | 35 Ų | 35 | 6.9 Ų | 6.9 | 15% | 0.154 | 3% | 0.032 | C | C | . | . | S | Bend | trans | -72.4 | -24.3 | -179.5 | -72.3 | -64 | 0 | 0 | 0 | 113.8 | V152 L153 F154 P155 P171 | V152-F1073 HydrophobicContact CB-CE2 4.46Å; V152-F1073 HydrophobicContact CG1-CD2 4.14Å; V152-F1073 HydrophobicContact CG1-CE2 3.77Å; V152-F1073 VanDerWaalsContact O-CD2 3.32Å; V152-F1073 WeakPolarHBondContact O-CD2 3.47Å; L153-F1073 PolarHBondContact O-N 3.38Å; F154-F1073 VanDerWaalsContact C-CE2 3.43Å; P155-F1073 HydrophobicContact CB-CE2 4.29Å; P155-F1073 HydrophobicContact CB-CZ 4.15Å; P155-F1073 VanDerWaalsContact N-CE2 3.28Å; P171-F1073 HydrophobicContact CG-CD1 3.98Å |
| 1074 | H | 86.4 | Confident | 88.4 | Confident | 1 Ų | 1 | 6.2 Ų | 6.2 | 1% | 0.005 | 3% | 0.028 | C | C | . | . | S | Bend | trans | -124.6 | 9.6 | -169.9 | -52.1 | -70.3 | 0 | 0 | 0 | 113.3 | V152 Y174 L969 L971 S1072 A1076 P1077 I1078 | V152-H1074 PolarHBondContact O-NE2 3.15Å; Y174-H1074 AromaticContact CZ-ND1 3.87Å; Y174-H1074 PolarHBondContact OH-CE1 3.47Å; Y174-H1074 PolarHBondContact OH-ND1 3.37Å; L969-H1074 HydrophobicContact CD2-CB 4.27Å; L969-H1074 WeakPolarHBondContact CD2-CD2 3.3Å; L969-H1074 WeakPolarHBondContact CD2-NE2 3.38Å; L971-H1074 HydrophobicContact CD2-CB 4.07Å; S1072-H1074 VanDerWaalsContact C-N 3.32Å; S1072-H1074 PolarHBondContact OG-N 3.19Å; H1074-A1076 PolarHBondContact O-N 3.47Å; H1074-P1077 WeakPolarHBondContact O-CD 3.22Å; H1074-P1077 VanDerWaalsContact O-CG 3.22Å; H1074-P1077 WeakPolarHBondContact O-CG 3.42Å; H1074-I1078 HydrophobicContact CB-CD1 4.22Å; H1074-I1078 WeakPolarHBondContact O-CD1 3.38Å; H1074-I1078 WeakPolarHBondContact O-CG1 3.48Å; H1074-I1078 PolarHBondContact O-N 3.19Å |
| 1075 | A | 87.9 | Confident | 88.4 | Confident | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.029 | C | C | . | . | H | α-helix | trans | -66.1 | -34.6 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | I1046 F1068 Q1069 S1072 I1078 S1079 | I1046-A1075 HydrophobicContact CG2-CB 3.81Å; F1068-A1075 HydrophobicContact CB-CB 4.1Å; Q1069-A1075 WeakPolarHBondContact O-CB 3.47Å; S1072-A1075 WeakPolarHBondContact OG-CB 3.48Å; S1072-A1075 PolarHBondContact OG-N 3.45Å; A1075-I1078 PolarHBondContact O-N 2.93Å; A1075-S1079 WeakPolarHBondContact O-CB 3.43Å; A1075-S1079 PolarHBondContact O-N 3.21Å |
| 1076 | A | 87.9 | Confident | 88.3 | Confident | 0 Ų | 0 | 3.4 Ų | 3.4 | 0% | 0 | 2% | 0.018 | C | C | . | . | H | α-helix | trans | -60.9 | -53 | -180 | 0 | 0 | 0 | 0 | 0 | 113.3 | L179 F1068 H1074 I1078 S1079 L1080 | L179-A1076 HydrophobicContact CD1-CB 4.24Å; L179-A1076 HydrophobicContact CD2-CB 4.47Å; F1068-A1076 HydrophobicContact CD1-CB 4.23Å; F1068-A1076 HydrophobicContact CD2-CB 3.81Å; F1068-A1076 HydrophobicContact CE1-CB 4.38Å; F1068-A1076 HydrophobicContact CE2-CB 3.96Å; F1068-A1076 HydrophobicContact CG-CB 3.96Å; F1068-A1076 HydrophobicContact CZ-CB 4.25Å; H1074-A1076 PolarHBondContact O-N 3.47Å; A1076-I1078 VanDerWaalsContact C-N 3.3Å; A1076-I1078 PolarHBondContact O-N 2.82Å; A1076-S1079 PolarHBondContact O-N 3.42Å; A1076-L1080 PolarHBondContact O-N 2.9Å |
| 1077 | P | 88.6 | Confident | 88.1 | Confident | 0 Ų | 0 | 4.1 Ų | 4.1 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -67.7 | -28 | 177.2 | 28.1 | -38.3 | 0 | 0 | 0 | 113.3 | Y174 F178 L179 Q182 L971 H1074 N1081 | Y174-P1077 HydrophobicContact CD1-CB 4.42Å; Y174-P1077 HydrophobicContact CD1-CG 3.95Å; Y174-P1077 HydrophobicContact CE1-CB 4.34Å; Y174-P1077 HydrophobicContact CE1-CG 3.66Å; F178-P1077 HydrophobicContact CD1-CB 4.09Å; F178-P1077 HydrophobicContact CE1-CB 3.78Å; F178-P1077 HydrophobicContact CE1-CG 4.42Å; L179-P1077 HydrophobicContact CD2-CB 3.87Å; Q182-P1077 PolarHBondContact NE2-O 2.88Å; L971-P1077 HydrophobicContact CD1-CB 3.96Å; L971-P1077 HydrophobicContact CD1-CG 4.32Å; L971-P1077 HydrophobicContact CD2-CG 4.04Å; H1074-P1077 WeakPolarHBondContact O-CD 3.22Å; H1074-P1077 VanDerWaalsContact O-CG 3.22Å; H1074-P1077 WeakPolarHBondContact O-CG 3.42Å; P1077-N1081 WeakPolarHBondContact O-CB 3.25Å; P1077-N1081 PolarHBondContact O-N 3.22Å |
| 1078 | I | 90.2 | Very high | 87.7 | Confident | 6 Ų | 6 | 4.5 Ų | 4.5 | 3% | 0.031 | 2% | 0.022 | C | C | . | . | H | α-helix | trans | -67 | -45.1 | 173 | -65.7 | 166.6 | 0 | 0 | 0 | 110.9 | L971 L973 Y976 I1047 H1074 A1075 A1076 L1080 N1081 A1082 | L971-I1078 HydrophobicContact CB-CG1 4.01Å; L971-I1078 HydrophobicContact CD2-CG1 4.25Å; L973-I1078 HydrophobicContact CD2-CG2 4.02Å; L973-I1078 HydrophobicContact CG-CG2 4.38Å; Y976-I1078 HydrophobicContact CD2-CD1 4.32Å; Y976-I1078 HydrophobicContact CE2-CD1 3.49Å; Y976-I1078 VanDerWaalsContact CE2-CD1 3.49Å; I1047-I1078 HydrophobicContact CG2-CG2 4.32Å; H1074-I1078 HydrophobicContact CB-CD1 4.22Å; H1074-I1078 WeakPolarHBondContact O-CD1 3.38Å; H1074-I1078 WeakPolarHBondContact O-CG1 3.48Å; H1074-I1078 PolarHBondContact O-N 3.19Å; A1075-I1078 PolarHBondContact O-N 2.93Å; A1076-I1078 VanDerWaalsContact C-N 3.3Å; A1076-I1078 PolarHBondContact O-N 2.82Å; I1078-L1080 VanDerWaalsContact C-N 3.31Å; I1078-L1080 PolarHBondContact O-N 3.29Å; I1078-N1081 PolarHBondContact O-N 3.47Å; I1078-A1082 WeakPolarHBondContact O-CB 3.38Å; I1078-A1082 PolarHBondContact O-N 3.36Å |
| 1079 | S | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 4.8 Ų | 4.8 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -61.2 | -42.1 | 177.4 | -172.6 | 0 | 0 | 0 | 0 | 111.2 | A1066 Y1067 A1075 A1076 V1083 | A1066-S1079 VanDerWaalsContact CB-OG 3.26Å; A1066-S1079 WeakPolarHBondContact CB-OG 3.25Å; Y1067-S1079 PolarHBondContact O-OG 2.94Å; A1075-S1079 WeakPolarHBondContact O-CB 3.43Å; A1075-S1079 PolarHBondContact O-N 3.21Å; A1076-S1079 PolarHBondContact O-N 3.42Å; S1079-V1083 WeakPolarHBondContact O-CG2 3.41Å; S1079-V1083 PolarHBondContact O-N 3.39Å; S1079-V1083 VanDerWaalsContact O-N 3.12Å |
| 1080 | L | 90.4 | Very high | 87.2 | Confident | 0 Ų | 0 | 5.1 Ų | 5.1 | 0% | 0 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -62 | -50.7 | 173.7 | -176.3 | 63.1 | 0 | 0 | 0 | 111.8 | V63 L179 Q182 Y183 V205 L207 A1076 I1078 A1082 V1083 V1084 | V63-L1080 HydrophobicContact CG1-CD2 4.45Å; V63-L1080 HydrophobicContact CG2-CD1 4.34Å; L179-L1080 HydrophobicContact CB-CD2 4.48Å; L179-L1080 HydrophobicContact CD2-CB 4.39Å; L179-L1080 HydrophobicContact CD2-CD2 3.87Å; Q182-L1080 HydrophobicContact CB-CD2 4.45Å; Q182-L1080 HydrophobicContact CG-CD2 4.28Å; Y183-L1080 HydrophobicContact CD2-CD1 4.03Å; V205-L1080 HydrophobicContact CG1-CD1 4.08Å; L207-L1080 HydrophobicContact CD1-CB 4.49Å; L207-L1080 HydrophobicContact CD2-CB 4.39Å; A1076-L1080 PolarHBondContact O-N 2.9Å; I1078-L1080 VanDerWaalsContact C-N 3.31Å; I1078-L1080 PolarHBondContact O-N 3.29Å; L1080-A1082 VanDerWaalsContact C-N 3.31Å; L1080-A1082 PolarHBondContact O-N 3.15Å; L1080-V1083 PolarHBondContact O-N 3.06Å; L1080-V1084 HydrophobicContact CD1-CG2 4.19Å; L1080-V1084 HydrophobicContact CG-CG2 4.45Å; L1080-V1084 VanDerWaalsContact O-CG2 3.31Å; L1080-V1084 WeakPolarHBondContact O-CG2 3.26Å; L1080-V1084 PolarHBondContact O-N 3.45Å |
| 1081 | N | 90.7 | Very high | 87.1 | Confident | 10 Ų | 10 | 5.3 Ų | 5.3 | 5% | 0.053 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -57.6 | -44.6 | 179.5 | -168.8 | 24 | 0 | 0 | 0 | 111.6 | L971 P1077 I1078 V1083 V1084 N1085 I1111 | L971-N1081 PolarHBondContact O-ND2 3.43Å; P1077-N1081 WeakPolarHBondContact O-CB 3.25Å; P1077-N1081 PolarHBondContact O-N 3.22Å; I1078-N1081 PolarHBondContact O-N 3.47Å; N1081-V1083 PolarHBondContact O-N 3.2Å; N1081-V1084 PolarHBondContact O-N 3.25Å; N1081-N1085 VanDerWaalsContact O-CB 3.32Å; N1081-N1085 WeakPolarHBondContact O-CB 3.35Å; N1081-N1085 PolarHBondContact O-N 3.16Å; N1081-N1085 PolarHBondContact O-ND2 3.29Å; N1081-N1085 PolarHBondContact OD1-ND2 3.15Å; N1081-N1085 VanDerWaalsContact OD1-ND2 3.11Å; N1081-I1111 PolarHBondContact OD1-O 3.46Å |
| 1082 | A | 90.6 | Very high | 86.9 | Confident | 6 Ų | 6 | 6.8 Ų | 6.8 | 5% | 0.05 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -62 | -41.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Y1004 Q1007 F1008 I1047 I1078 L1080 G1086 | Y1004-A1082 WeakPolarHBondContact CD2-O 3.45Å; Y1004-A1082 HydrophobicContact CE2-CB 3.87Å; Y1004-A1082 WeakPolarHBondContact CE2-O 3.48Å; Q1007-A1082 PolarHBondContact NE2-O 3Å; Q1007-A1082 PolarHBondContact OE1-O 2.84Å; F1008-A1082 HydrophobicContact CE1-CB 4.48Å; F1008-A1082 HydrophobicContact CZ-CB 3.89Å; I1047-A1082 HydrophobicContact CD1-CB 4.09Å; I1078-A1082 WeakPolarHBondContact O-CB 3.38Å; I1078-A1082 PolarHBondContact O-N 3.36Å; L1080-A1082 VanDerWaalsContact C-N 3.31Å; L1080-A1082 PolarHBondContact O-N 3.15Å; A1082-G1086 PolarHBondContact O-N 3.44Å |
| 1083 | V | 90.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 5% | 0.05 | C | C | . | . | H | α-helix | trans | -68.6 | -41.9 | 178.4 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | V205 Y1004 L1049 L1064 A1066 S1079 L1080 N1081 G1086 F1087 | V205-V1083 HydrophobicContact CG1-CG1 4.03Å; V205-V1083 HydrophobicContact CG2-CG1 3.96Å; Y1004-V1083 HydrophobicContact CE2-CG2 4.08Å; L1049-V1083 HydrophobicContact CD1-CG2 3.97Å; L1064-V1083 HydrophobicContact CB-CG1 4.23Å; L1064-V1083 HydrophobicContact CD1-CG1 3.43Å; L1064-V1083 VanDerWaalsContact CD1-CG1 3.43Å; L1064-V1083 HydrophobicContact CG-CG1 4.49Å; A1066-V1083 HydrophobicContact CB-CG2 3.62Å; S1079-V1083 WeakPolarHBondContact O-CG2 3.41Å; S1079-V1083 PolarHBondContact O-N 3.39Å; S1079-V1083 VanDerWaalsContact O-N 3.12Å; L1080-V1083 PolarHBondContact O-N 3.06Å; N1081-V1083 PolarHBondContact O-N 3.2Å; V1083-G1086 PolarHBondContact O-N 3.5Å; V1083-F1087 PolarHBondContact O-N 3.19Å |
| 1084 | V | 89 | Confident | 86 | Confident | 5 Ų | 5 | 9.8 Ų | 9.8 | 3% | 0.03 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -68.8 | -41.6 | -179.5 | 179.4 | 0 | 0 | 0 | 0 | 111.4 | Y183 D186 I190 L1080 N1081 F1087 L1088 | Y183-V1084 HydrophobicContact CD2-CG2 4.47Å; D186-V1084 HydrophobicContact CB-CG1 3.78Å; I190-V1084 HydrophobicContact CD1-CG1 3.42Å; I190-V1084 VanDerWaalsContact CD1-CG1 3.42Å; L1080-V1084 HydrophobicContact CD1-CG2 4.19Å; L1080-V1084 HydrophobicContact CG-CG2 4.45Å; L1080-V1084 VanDerWaalsContact O-CG2 3.31Å; L1080-V1084 WeakPolarHBondContact O-CG2 3.26Å; L1080-V1084 PolarHBondContact O-N 3.45Å; N1081-V1084 PolarHBondContact O-N 3.25Å; V1084-F1087 WeakPolarHBondContact O-CB 3.37Å; V1084-F1087 PolarHBondContact O-N 3.43Å; V1084-L1088 PolarHBondContact O-N 3.31Å |
| 1085 | N | 88.9 | Confident | 85.2 | Confident | 7 Ų | 7 | 13.6 Ų | 13.6 | 4% | 0.037 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -62.9 | -41.4 | 171.6 | -82.4 | -34.2 | 0 | 0 | 0 | 112.5 | N1081 F1087 L1088 Q1089 I1111 | N1081-N1085 VanDerWaalsContact O-CB 3.32Å; N1081-N1085 WeakPolarHBondContact O-CB 3.35Å; N1081-N1085 PolarHBondContact O-N 3.16Å; N1081-N1085 PolarHBondContact O-ND2 3.29Å; N1081-N1085 PolarHBondContact OD1-ND2 3.15Å; N1081-N1085 VanDerWaalsContact OD1-ND2 3.11Å; N1085-F1087 VanDerWaalsContact C-N 3.26Å; N1085-F1087 PolarHBondContact O-N 3.4Å; N1085-L1088 PolarHBondContact O-N 3.4Å; N1085-Q1089 WeakPolarHBondContact O-CB 3.44Å; N1085-Q1089 WeakPolarHBondContact O-CG 3.35Å; N1085-Q1089 PolarHBondContact O-N 3.16Å; N1085-I1111 PolarHBondContact ND2-O 3.12Å; N1085-I1111 WeakPolarHBondContact OD1-CB 3.32Å; N1085-I1111 PolarHBondContact OD1-N 3.23Å |
| 1086 | G | 87.7 | Confident | 84.2 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -59.2 | -38.2 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1082 V1083 Y1090 | A1082-G1086 PolarHBondContact O-N 3.44Å; V1083-G1086 PolarHBondContact O-N 3.5Å; G1086-Y1090 VanDerWaalsContact O-CB 3.31Å; G1086-Y1090 WeakPolarHBondContact O-CB 3.13Å; G1086-Y1090 PolarHBondContact O-N 3.17Å |
| 1087 | F | 86 | Confident | 83.2 | Confident | 15 Ų | 15 | 25.7 Ų | 25.7 | 7% | 0.066 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -70.2 | -42.5 | 174.9 | -174.8 | -110.8 | 0 | 0 | 0 | 113.4 | L203 F1000 V1083 V1084 N1085 Q1089 Y1090 L1091 | L203-F1087 HydrophobicContact CB-CD2 4.49Å; L203-F1087 HydrophobicContact CB-CE1 4.19Å; L203-F1087 HydrophobicContact CB-CE2 4.06Å; L203-F1087 HydrophobicContact CB-CZ 3.89Å; L203-F1087 HydrophobicContact CD1-CD2 3.79Å; L203-F1087 HydrophobicContact CD1-CE2 4.01Å; L203-F1087 HydrophobicContact CD1-CG 4.26Å; L203-F1087 HydrophobicContact CD2-CB 4.05Å; L203-F1087 HydrophobicContact CD2-CD1 3.67Å; L203-F1087 HydrophobicContact CD2-CD2 4.01Å; L203-F1087 HydrophobicContact CD2-CE1 4.04Å; L203-F1087 HydrophobicContact CD2-CE2 4.37Å; L203-F1087 HydrophobicContact CD2-CG 3.64Å; L203-F1087 HydrophobicContact CD2-CZ 4.38Å; L203-F1087 HydrophobicContact CG-CD2 4.31Å; L203-F1087 HydrophobicContact CG-CE2 4.37Å; L203-F1087 HydrophobicContact CG-CG 4.42Å; F1000-F1087 HydrophobicContact CE2-CB 4Å; F1000-F1087 HydrophobicContact CE2-CD2 4.12Å; V1083-F1087 PolarHBondContact O-N 3.19Å; V1084-F1087 WeakPolarHBondContact O-CB 3.37Å; V1084-F1087 PolarHBondContact O-N 3.43Å; N1085-F1087 VanDerWaalsContact C-N 3.26Å; N1085-F1087 PolarHBondContact O-N 3.4Å; F1087-Q1089 VanDerWaalsContact C-N 3.33Å; F1087-Q1089 PolarHBondContact O-N 3.02Å; F1087-Y1090 HydrophobicContact CD2-CD1 4.31Å; F1087-Y1090 HydrophobicContact CE2-CD1 4.37Å; F1087-Y1090 WeakPolarHBondContact O-CB 3.31Å; F1087-Y1090 PolarHBondContact O-N 2.86Å; F1087-L1091 HydrophobicContact CD1-CD1 4.02Å; F1087-L1091 HydrophobicContact CD1-CG 4.39Å; F1087-L1091 HydrophobicContact CE1-CD1 3.58Å; F1087-L1091 HydrophobicContact CE1-CD2 4.45Å; F1087-L1091 HydrophobicContact CE1-CG 4.06Å; F1087-L1091 HydrophobicContact CE2-CD2 4.36Å; F1087-L1091 HydrophobicContact CE2-CG 4.4Å; F1087-L1091 HydrophobicContact CZ-CD1 4Å; F1087-L1091 HydrophobicContact CZ-CD2 4.01Å; F1087-L1091 HydrophobicContact CZ-CG 4.06Å; F1087-L1091 WeakPolarHBondContact O-CG 3.28Å; F1087-L1091 PolarHBondContact O-N 3.11Å |
| 1088 | L | 84.5 | Confident | 82.4 | Confident | 7 Ų | 7 | 27.7 Ų | 27.7 | 4% | 0.037 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.8 | -47 | 173.5 | 177.7 | 60.3 | 0 | 0 | 0 | 111.1 | I190 V1084 N1085 Y1090 L1091 T1092 L1102 P1109 I1111 | I190-L1088 HydrophobicContact CG1-CD1 4.25Å; V1084-L1088 PolarHBondContact O-N 3.31Å; N1085-L1088 PolarHBondContact O-N 3.4Å; L1088-Y1090 PolarHBondContact O-N 3.36Å; L1088-L1091 PolarHBondContact O-N 3.19Å; L1088-T1092 WeakPolarHBondContact O-CG2 3.34Å; L1088-T1092 PolarHBondContact O-N 3.2Å; L1088-T1092 VanDerWaalsContact O-N 3.09Å; L1088-L1102 HydrophobicContact CD1-CD1 3.8Å; L1088-P1109 HydrophobicContact CD2-CB 4.25Å; L1088-P1109 HydrophobicContact CG-CG 4.35Å; L1088-I1111 HydrophobicContact CD2-CD1 4.15Å; L1088-I1111 HydrophobicContact CD2-CG1 3.98Å |
| 1089 | Q | 84.8 | Confident | 81.6 | Confident | 6 Ų | 6 | 27.5 Ų | 27.5 | 3% | 0.028 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.7 | -70.5 | 179 | 32.4 | 0 | 0 | 111.8 | S1003 N1085 F1087 T1092 S1093 P1108 P1109 | S1003-Q1089 PolarHBondContact O-OE1 2.86Å; S1003-Q1089 VanDerWaalsContact O-OE1 3.06Å; N1085-Q1089 WeakPolarHBondContact O-CB 3.44Å; N1085-Q1089 WeakPolarHBondContact O-CG 3.35Å; N1085-Q1089 PolarHBondContact O-N 3.16Å; F1087-Q1089 VanDerWaalsContact C-N 3.33Å; F1087-Q1089 PolarHBondContact O-N 3.02Å; Q1089-T1092 WeakPolarHBondContact CA-OG1 3.26Å; Q1089-T1092 PolarHBondContact O-N 3.34Å; Q1089-T1092 PolarHBondContact O-OG1 2.8Å; Q1089-S1093 WeakPolarHBondContact O-CB 3.23Å; Q1089-S1093 PolarHBondContact O-N 3.42Å; Q1089-P1108 HydrophobicContact CG-CB 3.99Å; Q1089-P1109 WeakPolarHBondContact CG-O 3.06Å |
| 1090 | Y | 84.2 | Confident | 80.5 | Confident | 8 Ų | 8 | 31.2 Ų | 31.2 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -58.1 | -48.9 | 174.1 | 173.9 | -103.6 | 0 | 0 | 0 | 111.5 | Q999 F1000 I1062 G1086 F1087 L1088 T1092 S1093 V1094 | Q999-Y1090 HydrophobicContact CB-CE2 4.4Å; Q999-Y1090 HydrophobicContact CG-CD2 4.48Å; Q999-Y1090 HydrophobicContact CG-CE2 4.27Å; F1000-Y1090 HydrophobicContact CB-CD2 4.01Å; F1000-Y1090 HydrophobicContact CB-CE2 4.23Å; F1000-Y1090 HydrophobicContact CD2-CD1 4.25Å; F1000-Y1090 HydrophobicContact CD2-CD2 4.2Å; F1000-Y1090 AromaticContact CD2-CG 3.85Å; F1000-Y1090 HydrophobicContact CD2-CG 3.85Å; I1062-Y1090 HydrophobicContact CD1-CE1 4.29Å; G1086-Y1090 VanDerWaalsContact O-CB 3.31Å; G1086-Y1090 WeakPolarHBondContact O-CB 3.13Å; G1086-Y1090 PolarHBondContact O-N 3.17Å; F1087-Y1090 HydrophobicContact CD2-CD1 4.31Å; F1087-Y1090 HydrophobicContact CE2-CD1 4.37Å; F1087-Y1090 WeakPolarHBondContact O-CB 3.31Å; F1087-Y1090 PolarHBondContact O-N 2.86Å; L1088-Y1090 PolarHBondContact O-N 3.36Å; Y1090-T1092 VanDerWaalsContact C-N 3.33Å; Y1090-T1092 PolarHBondContact O-N 3.42Å; Y1090-S1093 PolarHBondContact O-N 3.32Å; Y1090-S1093 PolarHBondContact O-OG 3.33Å; Y1090-V1094 HydrophobicContact CD1-CG2 4.29Å; Y1090-V1094 HydrophobicContact CD2-CG2 3.8Å; Y1090-V1094 HydrophobicContact CE1-CG2 3.93Å; Y1090-V1094 HydrophobicContact CE2-CG2 3.4Å; Y1090-V1094 VanDerWaalsContact CE2-CG2 3.4Å; Y1090-V1094 HydrophobicContact CG-CG2 4.23Å; Y1090-V1094 VanDerWaalsContact CZ-CG2 3.48Å; Y1090-V1094 WeakPolarHBondContact O-CG2 3.45Å; Y1090-V1094 PolarHBondContact O-N 2.9Å |
| 1091 | L | 81.2 | Confident | 79.3 | Confident | 4 Ų | 4 | 33.6 Ų | 33.6 | 2% | 0.021 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.2 | -43.4 | 177.6 | -71.1 | 177.5 | 0 | 0 | 0 | 112.2 | I190 V196 F1087 L1088 S1093 N1095 | I190-L1091 HydrophobicContact CG2-CD1 4.12Å; V196-L1091 HydrophobicContact CG2-CD1 4.06Å; F1087-L1091 HydrophobicContact CD1-CD1 4.02Å; F1087-L1091 HydrophobicContact CD1-CG 4.39Å; F1087-L1091 HydrophobicContact CE1-CD1 3.58Å; F1087-L1091 HydrophobicContact CE1-CD2 4.45Å; F1087-L1091 HydrophobicContact CE1-CG 4.06Å; F1087-L1091 HydrophobicContact CE2-CD2 4.36Å; F1087-L1091 HydrophobicContact CE2-CG 4.4Å; F1087-L1091 HydrophobicContact CZ-CD1 4Å; F1087-L1091 HydrophobicContact CZ-CD2 4.01Å; F1087-L1091 HydrophobicContact CZ-CG 4.06Å; F1087-L1091 WeakPolarHBondContact O-CG 3.28Å; F1087-L1091 PolarHBondContact O-N 3.11Å; L1088-L1091 PolarHBondContact O-N 3.19Å; L1091-S1093 VanDerWaalsContact C-N 3.26Å; L1091-S1093 PolarHBondContact O-N 2.82Å; L1091-N1095 PolarHBondContact O-N 3.04Å |
| 1092 | T | 77.9 | Confident | 78.2 | Confident | 32 Ų | 32 | 33.5 Ų | 33.5 | 20% | 0.196 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -67 | -27.3 | 176.6 | 64.3 | 0 | 0 | 0 | 0 | 113.4 | L1088 Q1089 Y1090 C1099 L1102 P1109 | L1088-T1092 WeakPolarHBondContact O-CG2 3.34Å; L1088-T1092 PolarHBondContact O-N 3.2Å; L1088-T1092 VanDerWaalsContact O-N 3.09Å; Q1089-T1092 WeakPolarHBondContact CA-OG1 3.26Å; Q1089-T1092 PolarHBondContact O-N 3.34Å; Q1089-T1092 PolarHBondContact O-OG1 2.8Å; Y1090-T1092 VanDerWaalsContact C-N 3.33Å; Y1090-T1092 PolarHBondContact O-N 3.42Å; T1092-C1099 HydrophobicContact CG2-CB 3.99Å; T1092-L1102 HydrophobicContact CG2-CB 4.48Å; T1092-P1109 HydrophobicContact CG2-CG 3.64Å |
| 1093 | S | 76.3 | Confident | 76.7 | Confident | 43 Ų | 43 | 37.5 Ų | 37.5 | 30% | 0.301 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -83.1 | -33.3 | 179.9 | 80.6 | 0 | 0 | 0 | 0 | 114 | Q1089 Y1090 L1091 | Q1089-S1093 WeakPolarHBondContact O-CB 3.23Å; Q1089-S1093 PolarHBondContact O-N 3.42Å; Y1090-S1093 PolarHBondContact O-N 3.32Å; Y1090-S1093 PolarHBondContact O-OG 3.33Å; L1091-S1093 VanDerWaalsContact C-N 3.26Å; L1091-S1093 PolarHBondContact O-N 2.82Å |
| 1094 | V | 72.6 | Confident | 75.2 | Confident | 55 Ų | 55 | 40.9 Ų | 40.9 | 33% | 0.333 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -79.9 | -36.7 | -176.6 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | Y1090 | Y1090-V1094 HydrophobicContact CD1-CG2 4.29Å; Y1090-V1094 HydrophobicContact CD2-CG2 3.8Å; Y1090-V1094 HydrophobicContact CE1-CG2 3.93Å; Y1090-V1094 HydrophobicContact CE2-CG2 3.4Å; Y1090-V1094 VanDerWaalsContact CE2-CG2 3.4Å; Y1090-V1094 HydrophobicContact CG-CG2 4.23Å; Y1090-V1094 VanDerWaalsContact CZ-CG2 3.48Å; Y1090-V1094 WeakPolarHBondContact O-CG2 3.45Å; Y1090-V1094 PolarHBondContact O-N 2.9Å |
| 1095 | N | 68.9 | Low | 73.7 | Confident | 82 Ų | 82 | 48.6 Ų | 48.6 | 44% | 0.439 | 28% | 0.278 | S | S | . | . | trans | -154.1 | 102.5 | -178.4 | -131.4 | -13.8 | 0 | 0 | 0 | 111.1 | L1091 T1097 I1098 | L1091-N1095 PolarHBondContact O-N 3.04Å; N1095-T1097 PolarHBondContact O-N 2.84Å; N1095-I1098 HydrophobicContact CB-CD1 3.41Å; N1095-I1098 VanDerWaalsContact CB-CD1 3.41Å; N1095-I1098 HydrophobicContact CB-CG1 3.77Å; N1095-I1098 PolarHBondContact O-N 3.17Å | ||
| 1096 | Q | 66.6 | Low | 72.4 | Confident | 143 Ų | 143 | 56 Ų | 56 | 67% | 0.668 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.8 | -19.6 | -177.8 | -69.1 | 179.6 | -11 | 0 | 0 | 113.5 | ||
| 1097 | T | 66.9 | Low | 71.4 | Confident | 110 Ų | 110 | 58.6 Ų | 58.6 | 68% | 0.675 | 34% | 0.336 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79 | -19.2 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 114.2 | N1095 | N1095-T1097 PolarHBondContact O-N 2.84Š|
| 1098 | I | 72 | Confident | 70.8 | Confident | 43 Ų | 43 | 60.6 Ų | 60.6 | 22% | 0.221 | 35% | 0.351 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -35.7 | -176.9 | -68.6 | 171.3 | 0 | 0 | 0 | 111.2 | C194 K195 V196 N1095 P1100 | C194-I1098 CarbonylContact C-O 3.59Å; C194-I1098 VanDerWaalsContact CA-O 3.28Å; C194-I1098 WeakPolarHBondContact CA-O 3.5Å; C194-I1098 HydrophobicContact CB-CG2 4.19Å; K195-I1098 PolarHBondContact N-O 3.24Å; V196-I1098 HydrophobicContact CG2-CG2 4.3Å; N1095-I1098 HydrophobicContact CB-CD1 3.41Å; N1095-I1098 VanDerWaalsContact CB-CD1 3.41Å; N1095-I1098 HydrophobicContact CB-CG1 3.77Å; N1095-I1098 PolarHBondContact O-N 3.17Å; I1098-P1100 VanDerWaalsContact C-CD 3.5Å; I1098-P1100 WeakPolarHBondContact O-CD 3.26Å |
| 1099 | C | 73.5 | Confident | 70.5 | Confident | 1 Ų | 1 | 60.6 Ų | 60.6 | 1% | 0.007 | 35% | 0.351 | C | S | . | . | trans | -121.4 | 70.5 | -176.5 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | C194 T1092 S1101 L1102 | C194-C1099 HydrophobicContact CB-CB 4.07Å; C194-C1099 WeakPolarHBondContact CB-SG 3.47Å; C194-C1099 WeakPolarHBondContact SG-CB 3.31Å; C194-C1099 CovalentContact SG-SG 2.03Å; C194-C1099 PolarHBondContact SG-SG 3.45Å; T1092-C1099 HydrophobicContact CG2-CB 3.99Å; C1099-S1101 PolarHBondContact O-N 3.33Å; C1099-L1102 HydrophobicContact CB-CB 4.45Å; C1099-L1102 HydrophobicContact CB-CD1 4.26Å; C1099-L1102 PolarHBondContact O-N 3.33Å | ||
| 1100 | P | 66.8 | Low | 70.4 | Confident | 78 Ų | 78 | 61.9 Ų | 61.9 | 51% | 0.506 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.1 | -170.9 | 27 | -35 | 0 | 0 | 0 | 114.1 | I1098 | I1098-P1100 VanDerWaalsContact C-CD 3.5Å; I1098-P1100 WeakPolarHBondContact O-CD 3.26Å |
| 1101 | S | 65.7 | Low | 70.6 | Confident | 51 Ų | 51 | 61.6 Ų | 61.6 | 36% | 0.357 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | -4.8 | -178.9 | 54.6 | 0 | 0 | 0 | 0 | 114.6 | N193 C1099 | N193-S1101 PolarHBondContact O-OG 3.01Å; N193-S1101 PolarHBondContact OD1-OG 3.13Å; C1099-S1101 PolarHBondContact O-N 3.33Å |
| 1102 | L | 68.9 | Low | 71 | Confident | 8 Ų | 8 | 65.5 Ų | 65.5 | 4% | 0.042 | 37% | 0.371 | C | S | . | . | trans | -118.1 | 8.7 | -168.7 | -67.6 | 172.2 | 0 | 0 | 0 | 114.4 | F133 N193 L1088 T1092 C1099 T1104 P1109 | F133-L1102 WeakPolarHBondContact O-CD2 3.44Å; N193-L1102 HydrophobicContact CB-CD1 3.75Å; N193-L1102 HydrophobicContact CB-CG 4.19Å; L1088-L1102 HydrophobicContact CD1-CD1 3.8Å; T1092-L1102 HydrophobicContact CG2-CB 4.48Å; C1099-L1102 HydrophobicContact CB-CB 4.45Å; C1099-L1102 HydrophobicContact CB-CD1 4.26Å; C1099-L1102 PolarHBondContact O-N 3.33Å; L1102-T1104 PolarHBondContact O-N 3.25Å; L1102-P1109 HydrophobicContact CB-CB 4.23Å; L1102-P1109 HydrophobicContact CB-CG 4.42Å; L1102-P1109 HydrophobicContact CD1-CB 4.27Å; L1102-P1109 HydrophobicContact CD2-CB 4.03Å; L1102-P1109 HydrophobicContact CG-CB 4.43Å | ||
| 1103 | T | 58.8 | Low | 71.6 | Confident | 89 Ų | 89 | 64.1 Ų | 64.1 | 55% | 0.546 | 36% | 0.362 | S | S | . | . | trans | -84.5 | 92.6 | -175.2 | 48.4 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 1104 | T | 57.9 | Low | 72.3 | Confident | 72 Ų | 72 | 62 Ų | 62 | 44% | 0.442 | 35% | 0.348 | S | S | . | . | trans | -127.5 | 128.5 | 167.2 | 56.8 | 0 | 0 | 0 | 0 | 110.9 | L1102 N1106 | L1102-T1104 PolarHBondContact O-N 3.25Å; T1104-N1106 PolarHBondContact O-N 3.33Å; T1104-N1106 VanDerWaalsContact O-N 3.11Å | ||
| 1105 | N | 58.7 | Low | 73 | Confident | 166 Ų | 166 | 59.4 Ų | 59.4 | 89% | 0.888 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.1 | -6.5 | -172.1 | -84.5 | -10.1 | 0 | 0 | 0 | 116.3 | ||
| 1106 | N | 61.7 | Low | 73.9 | Confident | 163 Ų | 163 | 57 Ų | 57 | 87% | 0.872 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.6 | -9.9 | -169.2 | -71.4 | -5.5 | 0 | 0 | 0 | 115.8 | T1104 | T1104-N1106 PolarHBondContact O-N 3.33Å; T1104-N1106 VanDerWaalsContact O-N 3.11Å |
| 1107 | S | 66 | Low | 74.8 | Confident | 55 Ų | 55 | 50.4 Ų | 50.4 | 39% | 0.385 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -155.1 | 133.2 | 177 | 54.3 | 0 | 0 | 0 | 0 | 111.2 | ||
| 1108 | P | 72.1 | Confident | 75.6 | Confident | 57 Ų | 57 | 45.7 Ų | 45.7 | 37% | 0.37 | 26% | 0.259 | S | S | . | . | trans | -63.6 | 142.3 | 175.6 | 26.9 | -33.3 | 0 | 0 | 0 | 110.3 | Q1089 Q1110 | Q1089-P1108 HydrophobicContact CG-CB 3.99Å; P1108-Q1110 PolarHBondContact O-N 2.98Å | ||
| 1109 | P | 79.5 | Confident | 75.8 | Confident | 7 Ų | 7 | 45.5 Ų | 45.5 | 5% | 0.045 | 26% | 0.26 | C | S | . | . | trans | -64.1 | 135.8 | 177.6 | 26.4 | -33.1 | 0 | 0 | 0 | 110.6 | S134 L1088 Q1089 T1092 L1102 | S134-P1109 VanDerWaalsContact O-CA 3.29Å; S134-P1109 WeakPolarHBondContact O-CA 3.44Å; L1088-P1109 HydrophobicContact CD2-CB 4.25Å; L1088-P1109 HydrophobicContact CG-CG 4.35Å; Q1089-P1109 WeakPolarHBondContact CG-O 3.06Å; T1092-P1109 HydrophobicContact CG2-CG 3.64Å; L1102-P1109 HydrophobicContact CB-CB 4.23Å; L1102-P1109 HydrophobicContact CB-CG 4.42Å; L1102-P1109 HydrophobicContact CD1-CB 4.27Å; L1102-P1109 HydrophobicContact CD2-CB 4.03Å; L1102-P1109 HydrophobicContact CG-CB 4.43Å | ||
| 1110 | Q | 82.2 | Confident | 75.7 | Confident | 32 Ų | 32 | 47.7 Ų | 47.7 | 15% | 0.15 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 139.4 | -176.3 | -72.7 | -175.3 | -8.2 | 0 | 0 | 111.6 | S134 T136 P1108 Y1112 | S134-Q1110 PolarHBondContact O-N 3.11Å; T136-Q1110 PolarHBondContact N-O 2.97Å; P1108-Q1110 PolarHBondContact O-N 2.98Å; Q1110-Y1112 HydrophobicContact CB-CE2 4.13Å; Q1110-Y1112 PolarHBondContact OE1-OH 3.29Å |
| 1111 | I | 88.3 | Confident | 76 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 121.9 | 172.3 | -54.4 | 176.4 | 0 | 0 | 0 | 108.6 | T136 Y138 D186 L189 I190 N1081 N1085 L1088 V1113 | T136-I1111 WeakPolarHBondContact O-CA 3.24Å; Y138-I1111 HydrophobicContact CD1-CG2 4.19Å; Y138-I1111 HydrophobicContact CE1-CG2 3.68Å; D186-I1111 WeakPolarHBondContact OD1-CG2 3.28Å; L189-I1111 HydrophobicContact CB-CD1 4.17Å; L189-I1111 HydrophobicContact CD1-CD1 4.26Å; L189-I1111 HydrophobicContact CD1-CG2 4.07Å; I190-I1111 HydrophobicContact CG1-CD1 4.42Å; N1081-I1111 PolarHBondContact OD1-O 3.46Å; N1085-I1111 PolarHBondContact ND2-O 3.12Å; N1085-I1111 WeakPolarHBondContact OD1-CB 3.32Å; N1085-I1111 PolarHBondContact OD1-N 3.23Å; L1088-I1111 HydrophobicContact CD2-CD1 4.15Å; L1088-I1111 HydrophobicContact CD2-CG1 3.98Å; I1111-V1113 HydrophobicContact CG2-CG2 4.26Å |
| 1112 | Y | 89.1 | Confident | 75.9 | Confident | 85 Ų | 85 | 51.3 Ų | 51.3 | 33% | 0.333 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.4 | 112.5 | 175.7 | -71.1 | -77.8 | 0 | 0 | 0 | 110.3 | V135 T136 S137 Y138 Q1110 | V135-Y1112 HydrophobicContact CG1-CD2 3.54Å; V135-Y1112 HydrophobicContact CG1-CE2 3.52Å; T136-Y1112 PolarHBondContact O-N 3.47Å; S137-Y1112 VanDerWaalsContact CA-O 3.23Å; S137-Y1112 WeakPolarHBondContact CA-O 3.36Å; Y138-Y1112 PolarHBondContact N-O 3.49Å; Q1110-Y1112 HydrophobicContact CB-CE2 4.13Å; Q1110-Y1112 PolarHBondContact OE1-OH 3.29Å |
| 1113 | V | 91.3 | Very high | 75.8 | Confident | 3 Ų | 3 | 53.2 Ų | 53.2 | 2% | 0.018 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 135.4 | 175.9 | -167.4 | 0 | 0 | 0 | 0 | 109 | Y138 I140 Q182 L971 I1111 | Y138-V1113 HydrophobicContact CD2-CG1 4.43Å; Y138-V1113 HydrophobicContact CE1-CG2 3.73Å; Y138-V1113 HydrophobicContact CE2-CG1 3.72Å; Y138-V1113 HydrophobicContact CE2-CG2 4.38Å; Y138-V1113 WeakPolarHBondContact OH-CG2 3.32Å; I140-V1113 HydrophobicContact CD1-CG1 4.49Å; Q182-V1113 HydrophobicContact CG-CG1 4.27Å; Q182-V1113 HydrophobicContact CG-CG2 4.42Å; L971-V1113 HydrophobicContact CB-CB 4.48Å; L971-V1113 WeakPolarHBondContact CB-O 3.33Å; L971-V1113 HydrophobicContact CD1-CB 4.2Å; L971-V1113 HydrophobicContact CD1-CG1 3.82Å; L971-V1113 PolarHBondContact N-O 2.94Å; I1111-V1113 HydrophobicContact CG2-CG2 4.26Å |
| 1114 | S | 91.1 | Very high | 76.3 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 27% | 0.265 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.9 | 150.7 | 172.1 | 58.5 | 0 | 0 | 0 | 0 | 111.6 | Y138 T139 I140 R968 L969 D970 | Y138-S1114 PolarHBondContact O-N 3.3Å; Y138-S1114 PolarHBondContact O-OG 3.49Å; T139-S1114 WeakPolarHBondContact CA-O 3.19Å; T139-S1114 WeakPolarHBondContact CA-OG 3.46Å; T139-S1114 WeakPolarHBondContact CB-OG 3.1Å; T139-S1114 WeakPolarHBondContact CG2-OG 3.48Å; T139-S1114 PolarHBondContact OG1-OG 2.99Å; I140-S1114 PolarHBondContact N-O 3.28Å; R968-S1114 PolarHBondContact NE-OG 2.94Å; R968-S1114 PolarHBondContact NH2-OG 3.46Å; L969-S1114 CarbonylContact O-C 3.42Å; L969-S1114 VanDerWaalsContact O-CA 3.25Å; L969-S1114 WeakPolarHBondContact O-CA 3.42Å; L969-S1114 WeakPolarHBondContact O-CB 3.38Å; D970-S1114 WeakPolarHBondContact OD1-CB 3.34Å |
| 1115 | N | 88 | Confident | 76.6 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 131.2 | 176.9 | -171.9 | 2.3 | 0 | 0 | 0 | 109.2 | W148 T150 Y174 F178 L969 L971 | W148-N1115 PolarHBondContact NE1-ND2 2.93Å; T150-N1115 HydrophobicContact CG2-CB 4.18Å; Y174-N1115 PolarHBondContact OH-ND2 2.89Å; F178-N1115 HydrophobicContact CE2-CB 3.95Å; F178-N1115 VanDerWaalsContact CE2-CG 3.49Å; F178-N1115 HydrophobicContact CZ-CB 3.91Å; L969-N1115 PolarHBondContact N-O 2.73Å; L969-N1115 PolarHBondContact O-N 3.21Å; L971-N1115 HydrophobicContact CD1-CB 4.36Å; L971-N1115 HydrophobicContact CD2-CB 4.43Å; L971-N1115 HydrophobicContact CG-CB 4.48Å |
| 1116 | Q | 87.8 | Confident | 76.6 | Confident | 30 Ų | 30 | 45 Ų | 45 | 14% | 0.14 | 23% | 0.225 | C | C | . | . | trans | -147.9 | 106.4 | 170.3 | -166 | 177.9 | 15.9 | 0 | 0 | 110.7 | T139 I140 R141 D966 R968 | T139-Q1116 HydrophobicContact CG2-CB 3.75Å; I140-Q1116 PolarHBondContact O-N 3.48Å; I140-Q1116 VanDerWaalsContact O-N 3.1Å; R141-Q1116 WeakPolarHBondContact CA-O 3.25Å; R141-Q1116 WeakPolarHBondContact CB-O 3.25Å; R141-Q1116 VanDerWaalsContact CG-O 3.22Å; R141-Q1116 WeakPolarHBondContact CG-O 3.43Å; D966-Q1116 WeakPolarHBondContact O-CG 3.32Å; D966-Q1116 PolarHBondContact O-NE2 3.35Å; R968-Q1116 HydrophobicContact CB-CB 4.48Å | ||
| 1117 | P | 84.6 | Confident | 76.6 | Confident | 6 Ų | 6 | 43.2 Ų | 43.2 | 4% | 0.039 | 21% | 0.21 | C | C | . | . | P | Polyproline II helix | trans | -58.3 | 151.1 | -178.9 | -24.1 | 32.8 | 0 | 0 | 0 | 113.7 | W148 T150 D966 | W148-P1117 HydrophobicContact CG-CG 4.46Å; T150-P1117 HydrophobicContact CG2-CG 4.13Å; D966-P1117 HydrophobicContact CB-CG 4.41Å |
| 1118 | L | 83 | Confident | 76.3 | Confident | 11 Ų | 11 | 42.6 Ų | 42.6 | 6% | 0.058 | 20% | 0.201 | C | C | . | . | B | Isolated β-bridge | trans | -68.9 | 146.4 | 171.2 | -73.4 | 168.3 | 0 | 0 | 0 | 111 | F111 R141 L142 | F111-L1118 HydrophobicContact CB-CD1 4.27Å; F111-L1118 HydrophobicContact CB-CD2 4.34Å; F111-L1118 HydrophobicContact CD1-CD1 3.89Å; F111-L1118 HydrophobicContact CD2-CD1 3.99Å; F111-L1118 HydrophobicContact CD2-CD2 3.85Å; F111-L1118 HydrophobicContact CE1-CD1 4.23Å; F111-L1118 HydrophobicContact CE2-CD1 4.38Å; F111-L1118 HydrophobicContact CG-CD1 3.77Å; F111-L1118 HydrophobicContact CG-CD2 4.18Å; F111-L1118 HydrophobicContact CZ-CD1 4.48Å; R141-L1118 HydrophobicContact CB-CD2 4.08Å; R141-L1118 HydrophobicContact CB-CG 4.09Å; L142-L1118 PolarHBondContact O-N 3.05Å |
| 1119 | P | 76.7 | Confident | 75.7 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 25% | 0.247 | 19% | 0.191 | C | C | . | . | P | Polyproline II helix | trans | -66 | 141.9 | 173.3 | 27.5 | -33.1 | 0 | 0 | 0 | 111.3 | V108 Q112 | V108-P1119 HydrophobicContact CG1-CG 3.68Å; Q112-P1119 HydrophobicContact CG-CG 4.31Å; Q112-P1119 VanDerWaalsContact NE2-CG 3.34Å |
| 1120 | E | 72.1 | Confident | 74.5 | Confident | 48 Ų | 48 | 44.2 Ų | 44.2 | 22% | 0.224 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -62.6 | 139.3 | -179.2 | -63.4 | -179.6 | 160.3 | 0 | 0 | 112.7 | E1124 R1125 Q1128 | E1120-E1124 WeakPolarHBondContact CA-OE2 3.29Å; E1120-R1125 IonicContact OE2-NE 2.85Å; E1120-Q1128 PolarHBondContact OE1-NE2 3.45Å |
| 1121 | T | 71.7 | Confident | 73.4 | Confident | 18 Ų | 18 | 48 Ų | 48 | 11% | 0.11 | 22% | 0.223 | C | C | . | . | P | Polyproline II helix | trans | -83.2 | 164.2 | 174 | 62.6 | 0 | 0 | 0 | 0 | 112.4 | F111 E1123 E1124 R1125 | F111-T1121 VanDerWaalsContact O-CG2 3.25Å; F111-T1121 WeakPolarHBondContact O-CG2 3.12Å; T1121-E1123 VanDerWaalsContact C-N 3.27Å; T1121-E1123 PolarHBondContact O-N 3.38Å; T1121-E1124 PolarHBondContact N-OE2 3.43Å; T1121-E1124 PolarHBondContact O-N 3.49Å; T1121-E1124 WeakPolarHBondContact OG1-CB 3.44Å; T1121-E1124 VanDerWaalsContact OG1-CG 3.27Å; T1121-E1124 WeakPolarHBondContact OG1-CG 3.27Å; T1121-E1124 PolarHBondContact OG1-N 3.48Å; T1121-E1124 PolarHBondContact OG1-OE2 3.37Å; T1121-R1125 PolarHBondContact O-N 3.17Å; T1121-R1125 VanDerWaalsContact O-N 3.1Å |
| 1122 | K | 65.2 | Low | 71.9 | Confident | 186 Ų | 186 | 51 Ų | 51 | 81% | 0.809 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -61.2 | -35.5 | 176 | -68.4 | -177.2 | -178.6 | 176.7 | 0 | 112.5 | A1126 | K1122-A1126 PolarHBondContact O-N 2.96Å |
| 1123 | E | 66.3 | Low | 70.4 | Confident | 49 Ų | 49 | 52.4 Ų | 52.4 | 23% | 0.229 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.4 | -37.7 | 178.2 | -170.4 | -180 | 157.6 | 0 | 0 | 112.3 | K119 T1121 R1125 A1126 K1127 L1324 | K119-E1123 WeakPolarHBondContact CE-OE2 3.37Å; K119-E1123 IonicContact NZ-OE1 3.92Å; K119-E1123 PolarHBondContact NZ-OE1 3.42Å; K119-E1123 IonicContact NZ-OE2 3.22Å; K119-E1123 PolarHBondContact NZ-OE2 3.21Å; T1121-E1123 VanDerWaalsContact C-N 3.27Å; T1121-E1123 PolarHBondContact O-N 3.38Å; E1123-R1125 VanDerWaalsContact C-N 3.34Å; E1123-A1126 WeakPolarHBondContact O-CB 3.46Å; E1123-A1126 PolarHBondContact O-N 3.48Å; E1123-K1127 PolarHBondContact O-N 3.04Å; E1123-L1324 HydrophobicContact CG-CD2 4.48Å |
| 1124 | E | 68.1 | Low | 68.9 | Low | 42 Ų | 42 | 52.6 Ų | 52.6 | 20% | 0.196 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 174.2 | -75.6 | 158.9 | 178.9 | 0 | 0 | 111.8 | R143 E1120 T1121 A1126 K1127 Q1128 | R143-E1124 WeakPolarHBondContact CD-OE1 3.24Å; R143-E1124 WeakPolarHBondContact CG-OE1 3.3Å; R143-E1124 IonicContact CZ-OE1 2.91Å; R143-E1124 IonicContact NE-OE1 2.94Å; R143-E1124 PolarHBondContact NE-OE1 2.88Å; E1120-E1124 WeakPolarHBondContact CA-OE2 3.29Å; T1121-E1124 PolarHBondContact N-OE2 3.43Å; T1121-E1124 PolarHBondContact O-N 3.49Å; T1121-E1124 WeakPolarHBondContact OG1-CB 3.44Å; T1121-E1124 VanDerWaalsContact OG1-CG 3.27Å; T1121-E1124 WeakPolarHBondContact OG1-CG 3.27Å; T1121-E1124 PolarHBondContact OG1-N 3.48Å; T1121-E1124 PolarHBondContact OG1-OE2 3.37Å; E1124-A1126 VanDerWaalsContact C-N 3.31Å; E1124-A1126 PolarHBondContact O-N 3.45Å; E1124-K1127 PolarHBondContact O-N 2.85Å; E1124-Q1128 PolarHBondContact O-N 2.92Å |
| 1125 | R | 64.3 | Low | 67.6 | Low | 99 Ų | 99 | 54.1 Ų | 54.1 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -62.6 | -38.4 | 170.8 | -72.8 | -178.4 | -169 | -179.9 | 1 | 112.5 | N963 E1120 T1121 E1123 Q1128 I1129 | N963-R1125 VanDerWaalsContact OD1-CZ 3.3Å; N963-R1125 PolarHBondContact OD1-NH1 2.81Å; N963-R1125 PolarHBondContact OD1-NH2 2.82Å; E1120-R1125 IonicContact OE2-NE 2.85Å; T1121-R1125 PolarHBondContact O-N 3.17Å; T1121-R1125 VanDerWaalsContact O-N 3.1Å; E1123-R1125 VanDerWaalsContact C-N 3.34Å; R1125-Q1128 PolarHBondContact O-N 2.97Å; R1125-I1129 WeakPolarHBondContact O-CG1 3.17Å; R1125-I1129 PolarHBondContact O-N 3.3Å; R1125-I1129 VanDerWaalsContact O-N 3.14Å |
| 1126 | A | 59 | Low | 66.5 | Low | 14 Ų | 14 | 58.5 Ų | 58.5 | 12% | 0.116 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.3 | -47.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | K1122 E1123 E1124 Q1128 I1129 D1130 V1319 | K1122-A1126 PolarHBondContact O-N 2.96Å; E1123-A1126 WeakPolarHBondContact O-CB 3.46Å; E1123-A1126 PolarHBondContact O-N 3.48Å; E1124-A1126 VanDerWaalsContact C-N 3.31Å; E1124-A1126 PolarHBondContact O-N 3.45Å; A1126-Q1128 VanDerWaalsContact C-N 3.34Å; A1126-Q1128 PolarHBondContact O-N 2.64Å; A1126-I1129 WeakPolarHBondContact O-CB 3.42Å; A1126-I1129 PolarHBondContact O-N 2.95Å; A1126-D1130 PolarHBondContact O-N 3.31Å; A1126-D1130 VanDerWaalsContact O-N 3.15Å; A1126-V1319 HydrophobicContact CB-CG1 3.41Å; A1126-V1319 VanDerWaalsContact CB-CG1 3.41Å |
| 1127 | K | 62.2 | Low | 65.4 | Low | 125 Ų | 125 | 62.4 Ų | 62.4 | 54% | 0.543 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 176.3 | -76.8 | 179.6 | 177.2 | 172.7 | 0 | 113 | E1123 E1124 I1129 D1130 E1131 | E1123-K1127 PolarHBondContact O-N 3.04Å; E1124-K1127 PolarHBondContact O-N 2.85Å; K1127-I1129 PolarHBondContact O-N 2.78Å; K1127-D1130 WeakPolarHBondContact O-CB 3.23Å; K1127-D1130 PolarHBondContact O-N 3.46Å; K1127-E1131 PolarHBondContact O-N 2.88Å; K1127-E1131 VanDerWaalsContact O-N 3.14Å |
| 1128 | Q | 60.2 | Low | 64.7 | Low | 42 Ų | 42 | 62.7 Ų | 62.7 | 20% | 0.196 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -61.3 | -34.2 | 172.6 | -84.2 | -176.5 | 6.1 | 0 | 0 | 111.8 | E1120 E1124 R1125 A1126 E1131 G1134 | E1120-Q1128 PolarHBondContact OE1-NE2 3.45Å; E1124-Q1128 PolarHBondContact O-N 2.92Å; R1125-Q1128 PolarHBondContact O-N 2.97Å; A1126-Q1128 VanDerWaalsContact C-N 3.34Å; A1126-Q1128 PolarHBondContact O-N 2.64Å; Q1128-E1131 WeakPolarHBondContact O-CB 3.41Å; Q1128-E1131 PolarHBondContact O-N 3.37Å; Q1128-G1134 WeakPolarHBondContact O-CA 3.45Å; Q1128-G1134 PolarHBondContact O-N 2.84Å |
| 1129 | I | 59.6 | Low | 64.1 | Low | 33 Ų | 33 | 64.2 Ų | 64.2 | 17% | 0.169 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72 | -31.5 | 177.6 | -70.5 | 164.3 | 0 | 0 | 0 | 111.9 | R1125 A1126 K1127 E1131 F1316 V1319 | R1125-I1129 WeakPolarHBondContact O-CG1 3.17Å; R1125-I1129 PolarHBondContact O-N 3.3Å; R1125-I1129 VanDerWaalsContact O-N 3.14Å; A1126-I1129 WeakPolarHBondContact O-CB 3.42Å; A1126-I1129 PolarHBondContact O-N 2.95Å; K1127-I1129 PolarHBondContact O-N 2.78Å; I1129-E1131 VanDerWaalsContact C-N 3.27Å; I1129-F1316 HydrophobicContact CG2-CE1 4.21Å; I1129-V1319 HydrophobicContact CD1-CG2 3.56Å |
| 1130 | D | 54.6 | Low | 63.9 | Low | 64 Ų | 64 | 66.2 Ų | 66.2 | 34% | 0.342 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -66.8 | -28.9 | 169.3 | -74.2 | -38.2 | 0 | 0 | 0 | 112.4 | A1126 K1127 N1335 A1336 | A1126-D1130 PolarHBondContact O-N 3.31Å; A1126-D1130 VanDerWaalsContact O-N 3.15Å; K1127-D1130 WeakPolarHBondContact O-CB 3.23Å; K1127-D1130 PolarHBondContact O-N 3.46Å; D1130-N1335 PolarHBondContact OD1-OD1 2.92Å; D1130-N1335 PolarHBondContact OD2-OD1 3.22Å; D1130-A1336 WeakPolarHBondContact OD1-CB 3.45Å; D1130-A1336 PolarHBondContact OD1-N 3.32Å |
| 1131 | E | 59.1 | Low | 63.9 | Low | 111 Ų | 111 | 64.1 Ų | 64.1 | 52% | 0.519 | 31% | 0.307 | S | S | . | . | S | Bend | trans | -73.3 | 142.4 | 173.1 | -69.6 | 179.7 | 176.2 | 0 | 0 | 111.5 | K1127 Q1128 I1129 E1133 G1134 L1135 | K1127-E1131 PolarHBondContact O-N 2.88Å; K1127-E1131 VanDerWaalsContact O-N 3.14Å; Q1128-E1131 WeakPolarHBondContact O-CB 3.41Å; Q1128-E1131 PolarHBondContact O-N 3.37Å; I1129-E1131 VanDerWaalsContact C-N 3.27Å; E1131-E1133 PolarHBondContact O-N 3.4Å; E1131-G1134 PolarHBondContact O-N 3.3Å; E1131-L1135 PolarHBondContact O-N 3.49Å |
| 1132 | I | 55.3 | Low | 64.1 | Low | 66 Ų | 66 | 63.3 Ų | 63.3 | 34% | 0.338 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -50.5 | -36.7 | -176.9 | -66.6 | 167.6 | 0 | 0 | 0 | 111.7 | M1136 M1280 F1345 | I1132-M1136 HydrophobicContact CG2-CE 4.28Å; I1132-M1136 VanDerWaalsContact O-CB 3.26Å; I1132-M1136 WeakPolarHBondContact O-CB 3.24Å; I1132-M1136 PolarHBondContact O-N 3.32Å; I1132-M1136 VanDerWaalsContact O-N 3.09Å; I1132-M1280 HydrophobicContact CD1-CE 4.03Å; I1132-M1280 HydrophobicContact CD1-SD 3.96Å; I1132-M1280 HydrophobicContact CG2-CE 4.23Å; I1132-F1345 HydrophobicContact CD1-CZ 4.48Å |
| 1133 | E | 57.6 | Low | 64.9 | Low | 116 Ų | 116 | 57.5 Ų | 57.5 | 54% | 0.542 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -68.5 | -39.9 | 178.4 | -74.9 | -162.9 | 167.6 | 0 | 0 | 113.7 | E1131 M1136 R1137 | E1131-E1133 PolarHBondContact O-N 3.4Å; E1133-M1136 PolarHBondContact O-N 3.46Å; E1133-R1137 VanDerWaalsContact O-CG 3.29Å; E1133-R1137 WeakPolarHBondContact O-CG 3.36Å; E1133-R1137 PolarHBondContact O-N 3.37Å; E1133-R1137 IonicContact OE2-NH2 3.47Å |
| 1134 | G | 60.7 | Low | 65.4 | Low | 7 Ų | 7 | 56.3 Ų | 56.3 | 7% | 0.072 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -73.2 | -39.8 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1128 E1131 M1136 R1137 V1138 | Q1128-G1134 WeakPolarHBondContact O-CA 3.45Å; Q1128-G1134 PolarHBondContact O-N 2.84Å; E1131-G1134 PolarHBondContact O-N 3.3Å; G1134-M1136 VanDerWaalsContact C-N 3.28Å; G1134-M1136 PolarHBondContact O-N 3.3Å; G1134-R1137 WeakPolarHBondContact O-CB 3.26Å; G1134-R1137 PolarHBondContact O-N 3.42Å; G1134-V1138 PolarHBondContact O-N 2.99Å |
| 1135 | L | 62.8 | Low | 66.2 | Low | 32 Ų | 32 | 54.5 Ų | 54.5 | 17% | 0.168 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -58.6 | -43.3 | 169.7 | -175.1 | 70.8 | 0 | 0 | 0 | 111 | E1131 R1137 V1138 V1139 P1279 F1316 | E1131-L1135 PolarHBondContact O-N 3.49Å; L1135-R1137 VanDerWaalsContact C-N 3.33Å; L1135-R1137 PolarHBondContact O-N 3.44Å; L1135-V1138 PolarHBondContact O-N 2.89Å; L1135-V1139 WeakPolarHBondContact O-CG2 3.44Å; L1135-V1139 PolarHBondContact O-N 2.87Å; L1135-V1139 VanDerWaalsContact O-N 3.07Å; L1135-P1279 HydrophobicContact CD2-CG 4.14Å; L1135-F1316 HydrophobicContact CD1-CE1 3.87Å; L1135-F1316 HydrophobicContact CD1-CZ 3.58Å |
| 1136 | M | 64.7 | Low | 67.3 | Low | 91 Ų | 91 | 49.8 Ų | 49.8 | 45% | 0.448 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.3 | -38.1 | 177.3 | -156.3 | -168.5 | -62.6 | 0 | 0 | 111.3 | I1132 E1133 G1134 V1139 V1140 | I1132-M1136 HydrophobicContact CG2-CE 4.28Å; I1132-M1136 VanDerWaalsContact O-CB 3.26Å; I1132-M1136 WeakPolarHBondContact O-CB 3.24Å; I1132-M1136 PolarHBondContact O-N 3.32Å; I1132-M1136 VanDerWaalsContact O-N 3.09Å; E1133-M1136 PolarHBondContact O-N 3.46Å; G1134-M1136 VanDerWaalsContact C-N 3.28Å; G1134-M1136 PolarHBondContact O-N 3.3Å; M1136-V1139 PolarHBondContact O-N 2.65Å; M1136-V1140 HydrophobicContact CG-CG2 4.17Å; M1136-V1140 WeakPolarHBondContact O-CB 3.26Å; M1136-V1140 WeakPolarHBondContact O-CG2 3.48Å; M1136-V1140 PolarHBondContact O-N 2.98Å |
| 1137 | R | 65.4 | Low | 68.6 | Low | 112 Ų | 112 | 49.8 Ų | 49.8 | 42% | 0.423 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -61.3 | -44 | 175 | -75.7 | 174 | -163.5 | -170.8 | 6.6 | 112.1 | E1133 G1134 L1135 V1140 A1141 | E1133-R1137 VanDerWaalsContact O-CG 3.29Å; E1133-R1137 WeakPolarHBondContact O-CG 3.36Å; E1133-R1137 PolarHBondContact O-N 3.37Å; E1133-R1137 IonicContact OE2-NH2 3.47Å; G1134-R1137 WeakPolarHBondContact O-CB 3.26Å; G1134-R1137 PolarHBondContact O-N 3.42Å; L1135-R1137 VanDerWaalsContact C-N 3.33Å; L1135-R1137 PolarHBondContact O-N 3.44Å; R1137-V1140 PolarHBondContact O-N 2.88Å; R1137-A1141 WeakPolarHBondContact O-CB 3.27Å; R1137-A1141 PolarHBondContact O-N 2.72Å |
| 1138 | V | 69.2 | Low | 69.7 | Low | 12 Ų | 12 | 45.1 Ų | 45.1 | 7% | 0.073 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 177.4 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | G1134 L1135 V1140 A1141 G1142 F1311 Q1315 | G1134-V1138 PolarHBondContact O-N 2.99Å; L1135-V1138 PolarHBondContact O-N 2.89Å; V1138-V1140 PolarHBondContact O-N 3.48Å; V1138-A1141 PolarHBondContact O-N 2.93Å; V1138-G1142 PolarHBondContact O-N 3.27Å; V1138-F1311 HydrophobicContact CG1-CE1 4.02Å; V1138-F1311 WeakPolarHBondContact O-CE1 3.24Å; V1138-Q1315 HydrophobicContact CG1-CB 3.86Å; V1138-Q1315 HydrophobicContact CG1-CG 3.93Å |
| 1139 | V | 71.5 | Confident | 71 | Confident | 43 Ų | 43 | 43.1 Ų | 43.1 | 26% | 0.261 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -61.7 | -45 | 178.4 | 168.2 | 0 | 0 | 0 | 0 | 111.7 | L1135 M1136 A1141 G1142 F1143 F1308 I1312 | L1135-V1139 WeakPolarHBondContact O-CG2 3.44Å; L1135-V1139 PolarHBondContact O-N 2.87Å; L1135-V1139 VanDerWaalsContact O-N 3.07Å; M1136-V1139 PolarHBondContact O-N 2.65Å; V1139-A1141 VanDerWaalsContact C-N 3.28Å; V1139-A1141 PolarHBondContact O-N 2.77Å; V1139-G1142 PolarHBondContact O-N 2.98Å; V1139-F1143 WeakPolarHBondContact O-CB 3.41Å; V1139-F1143 PolarHBondContact O-N 3.29Å; V1139-F1308 HydrophobicContact CG1-CZ 4.17Å; V1139-I1312 HydrophobicContact CG2-CD1 4.43Å |
| 1140 | V | 72.3 | Confident | 72.5 | Confident | 80 Ų | 80 | 41.6 Ų | 41.6 | 49% | 0.485 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.1 | -28.3 | 179.6 | 170.7 | 0 | 0 | 0 | 0 | 112 | M1136 R1137 V1138 P1144 | M1136-V1140 HydrophobicContact CG-CG2 4.17Å; M1136-V1140 WeakPolarHBondContact O-CB 3.26Å; M1136-V1140 WeakPolarHBondContact O-CG2 3.48Å; M1136-V1140 PolarHBondContact O-N 2.98Å; R1137-V1140 PolarHBondContact O-N 2.88Å; V1138-V1140 PolarHBondContact O-N 3.48Å; V1140-P1144 WeakPolarHBondContact O-CD 3.45Å; V1140-P1144 WeakPolarHBondContact O-CG 3.48Å |
| 1141 | A | 71.4 | Confident | 74.1 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.041 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -78.1 | -37.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | L959 R1137 V1138 V1139 | L959-A1141 HydrophobicContact CD1-CB 4.01Å; L959-A1141 HydrophobicContact CD2-CB 4Å; L959-A1141 HydrophobicContact CG-CB 3.88Å; R1137-A1141 WeakPolarHBondContact O-CB 3.27Å; R1137-A1141 PolarHBondContact O-N 2.72Å; V1138-A1141 PolarHBondContact O-N 2.93Å; V1139-A1141 VanDerWaalsContact C-N 3.28Å; V1139-A1141 PolarHBondContact O-N 2.77Å |
| 1142 | G | 76.5 | Confident | 75.5 | Confident | 1 Ų | 1 | 37.6 Ų | 37.6 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -73.7 | -31.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | V1138 V1139 L1145 A1146 F1311 | V1138-G1142 PolarHBondContact O-N 3.27Å; V1139-G1142 PolarHBondContact O-N 2.98Å; G1142-L1145 WeakPolarHBondContact O-CB 3.42Å; G1142-L1145 PolarHBondContact O-N 3.03Å; G1142-A1146 PolarHBondContact O-N 2.67Å; G1142-F1311 VanDerWaalsContact CA-CD1 3.5Å |
| 1143 | F | 81.4 | Confident | 77.1 | Confident | 63 Ų | 63 | 34.6 Ų | 34.6 | 28% | 0.276 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -65 | -46.3 | -176.5 | -179 | -86.4 | 0 | 0 | 0 | 114 | V1139 L1145 A1146 S1147 L1270 I1271 F1308 | V1139-F1143 WeakPolarHBondContact O-CB 3.41Å; V1139-F1143 PolarHBondContact O-N 3.29Å; F1143-L1145 VanDerWaalsContact C-N 3.28Å; F1143-L1145 PolarHBondContact O-N 3.28Å; F1143-A1146 PolarHBondContact O-N 3.29Å; F1143-S1147 VanDerWaalsContact O-CB 3.3Å; F1143-S1147 WeakPolarHBondContact O-CB 3.45Å; F1143-S1147 PolarHBondContact O-N 2.91Å; F1143-S1147 PolarHBondContact O-OG 3.11Å; F1143-L1270 HydrophobicContact CD2-CD2 3.71Å; F1143-L1270 HydrophobicContact CD2-CG 4.07Å; F1143-L1270 HydrophobicContact CE2-CB 4.26Å; F1143-L1270 HydrophobicContact CE2-CD2 3.54Å; F1143-L1270 HydrophobicContact CE2-CG 3.84Å; F1143-L1270 HydrophobicContact CZ-CD2 4.39Å; F1143-I1271 HydrophobicContact CE2-CG1 3.61Å; F1143-I1271 HydrophobicContact CZ-CD1 3.98Å; F1143-I1271 HydrophobicContact CZ-CG1 3.47Å; F1143-I1271 VanDerWaalsContact CZ-CG1 3.47Å; F1143-F1308 HydrophobicContact CB-CE2 4.46Å |
| 1144 | P | 78.4 | Confident | 78.6 | Confident | 25 Ų | 25 | 29 Ų | 29 | 16% | 0.162 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -58.7 | -37.9 | 173.4 | -25.8 | 34.1 | 0 | 0 | 0 | 112.9 | I954 L958 V1140 S1147 N1148 | I954-P1144 HydrophobicContact CG2-CB 3.92Å; I954-P1144 HydrophobicContact CG2-CG 4.37Å; L958-P1144 HydrophobicContact CD1-CG 4.31Å; V1140-P1144 WeakPolarHBondContact O-CD 3.45Å; V1140-P1144 WeakPolarHBondContact O-CG 3.48Å; P1144-S1147 WeakPolarHBondContact CA-OG 3.4Å; P1144-S1147 PolarHBondContact O-OG 3.25Å; P1144-N1148 WeakPolarHBondContact O-CB 3.2Å; P1144-N1148 PolarHBondContact O-N 3.22Å; P1144-N1148 PolarHBondContact O-ND2 3.46Å |
| 1145 | L | 83.3 | Confident | 80 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.016 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63 | -54.2 | 177.1 | -179.9 | 67.5 | 0 | 0 | 0 | 110.7 | A951 L952 F955 G1142 F1143 S1147 I1149 F1217 | A951-L1145 HydrophobicContact CB-CD1 4.05Å; L952-L1145 HydrophobicContact CD2-CD1 4.24Å; F955-L1145 HydrophobicContact CD2-CD2 4.34Å; F955-L1145 HydrophobicContact CE2-CD2 4.45Å; G1142-L1145 WeakPolarHBondContact O-CB 3.42Å; G1142-L1145 PolarHBondContact O-N 3.03Å; F1143-L1145 VanDerWaalsContact C-N 3.28Å; F1143-L1145 PolarHBondContact O-N 3.28Å; L1145-S1147 PolarHBondContact O-N 3.13Å; L1145-I1149 HydrophobicContact CD1-CD1 3.82Å; L1145-I1149 HydrophobicContact CG-CD1 3.92Å; L1145-I1149 WeakPolarHBondContact O-CD1 3.4Å; L1145-I1149 VanDerWaalsContact O-CG1 3.26Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.41Å; L1145-I1149 PolarHBondContact O-N 3.2Å; L1145-I1149 VanDerWaalsContact O-N 3.12Å; L1145-F1217 HydrophobicContact CD2-CE2 3.51Å; L1145-F1217 HydrophobicContact CD2-CZ 3.62Å |
| 1146 | A | 87.6 | Confident | 81.3 | Confident | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -63.7 | -41 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | G1142 F1143 L1150 L1270 F1308 | G1142-A1146 PolarHBondContact O-N 2.67Å; F1143-A1146 PolarHBondContact O-N 3.29Å; A1146-L1150 VanDerWaalsContact O-CB 3.28Å; A1146-L1150 WeakPolarHBondContact O-CB 3.26Å; A1146-L1150 PolarHBondContact O-N 3.02Å; A1146-L1270 HydrophobicContact CB-CD2 4.22Å; A1146-F1308 HydrophobicContact CB-CB 3.9Å; A1146-F1308 HydrophobicContact CB-CD2 4.34Å |
| 1147 | S | 86.4 | Confident | 82.5 | Confident | 15 Ų | 15 | 25.1 Ų | 25.1 | 11% | 0.105 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -70.2 | -40.2 | -179.8 | 57.1 | 0 | 0 | 0 | 0 | 113 | F1143 P1144 L1145 L1150 F1151 | F1143-S1147 VanDerWaalsContact O-CB 3.3Å; F1143-S1147 WeakPolarHBondContact O-CB 3.45Å; F1143-S1147 PolarHBondContact O-N 2.91Å; F1143-S1147 PolarHBondContact O-OG 3.11Å; P1144-S1147 WeakPolarHBondContact CA-OG 3.4Å; P1144-S1147 PolarHBondContact O-OG 3.25Å; L1145-S1147 PolarHBondContact O-N 3.13Å; S1147-L1150 VanDerWaalsContact O-CB 3.31Å; S1147-L1150 WeakPolarHBondContact O-CB 3.49Å; S1147-L1150 PolarHBondContact O-N 3.05Å; S1147-F1151 WeakPolarHBondContact O-CD2 3.38Å; S1147-F1151 PolarHBondContact O-N 3.41Å |
| 1148 | N | 85.2 | Confident | 83.7 | Confident | 26 Ų | 26 | 19.8 Ų | 19.8 | 14% | 0.139 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.6 | -37.8 | 176.4 | -79.7 | -69.9 | 0 | 0 | 0 | 112.2 | A951 P1144 L1150 F1151 A1152 | A951-N1148 HydrophobicContact CB-CB 3.62Å; P1144-N1148 WeakPolarHBondContact O-CB 3.2Å; P1144-N1148 PolarHBondContact O-N 3.22Å; P1144-N1148 PolarHBondContact O-ND2 3.46Å; N1148-L1150 VanDerWaalsContact C-N 3.29Å; N1148-L1150 PolarHBondContact O-N 3.07Å; N1148-F1151 WeakPolarHBondContact O-CB 3.38Å; N1148-F1151 PolarHBondContact O-N 3.02Å; N1148-A1152 PolarHBondContact O-N 3.16Å |
| 1149 | I | 88.1 | Confident | 84.7 | Confident | 1 Ų | 1 | 19.4 Ų | 19.4 | 1% | 0.005 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -65.1 | -37.5 | 172.6 | -63.2 | 161.9 | 0 | 0 | 0 | 110.5 | T948 L1145 F1151 A1152 A1153 F1209 F1230 I1307 | T948-I1149 HydrophobicContact CG2-CG1 4.38Å; L1145-I1149 HydrophobicContact CD1-CD1 3.82Å; L1145-I1149 HydrophobicContact CG-CD1 3.92Å; L1145-I1149 WeakPolarHBondContact O-CD1 3.4Å; L1145-I1149 VanDerWaalsContact O-CG1 3.26Å; L1145-I1149 WeakPolarHBondContact O-CG1 3.41Å; L1145-I1149 PolarHBondContact O-N 3.2Å; L1145-I1149 VanDerWaalsContact O-N 3.12Å; I1149-F1151 VanDerWaalsContact C-N 3.35Å; I1149-F1151 PolarHBondContact O-N 3.31Å; I1149-A1152 WeakPolarHBondContact O-CB 3.37Å; I1149-A1152 PolarHBondContact O-N 3.2Å; I1149-A1153 WeakPolarHBondContact O-CB 3.32Å; I1149-A1153 PolarHBondContact O-N 3.24Å; I1149-F1209 HydrophobicContact CD1-CE1 4.39Å; I1149-F1209 HydrophobicContact CD1-CZ 3.61Å; I1149-F1209 HydrophobicContact CG1-CZ 4.24Å; I1149-F1230 HydrophobicContact CG2-CE1 4.43Å; I1149-F1230 HydrophobicContact CG2-CZ 3.91Å; I1149-I1307 HydrophobicContact CB-CD1 4.33Å; I1149-I1307 HydrophobicContact CD1-CD1 4.23Å; I1149-I1307 HydrophobicContact CD1-CG2 4.04Å; I1149-I1307 HydrophobicContact CG2-CD1 3.57Å |
| 1150 | L | 90.4 | Very high | 85.6 | Confident | 1 Ų | 1 | 17.6 Ų | 17.6 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -59.4 | -43.5 | 171.6 | 167.8 | 65.9 | 0 | 0 | 0 | 111.9 | A1146 S1147 N1148 S1154 A1266 | A1146-L1150 VanDerWaalsContact O-CB 3.28Å; A1146-L1150 WeakPolarHBondContact O-CB 3.26Å; A1146-L1150 PolarHBondContact O-N 3.02Å; S1147-L1150 VanDerWaalsContact O-CB 3.31Å; S1147-L1150 WeakPolarHBondContact O-CB 3.49Å; S1147-L1150 PolarHBondContact O-N 3.05Å; N1148-L1150 VanDerWaalsContact C-N 3.29Å; N1148-L1150 PolarHBondContact O-N 3.07Å; L1150-S1154 WeakPolarHBondContact CD1-OG 3.38Å; L1150-S1154 WeakPolarHBondContact O-CB 3.07Å; L1150-S1154 PolarHBondContact O-N 3.27Å; L1150-S1154 PolarHBondContact O-OG 2.9Å; L1150-A1266 HydrophobicContact CD1-CB 3.53Å; L1150-A1266 HydrophobicContact CD2-CB 3.5Å; L1150-A1266 VanDerWaalsContact CD2-CB 3.5Å; L1150-A1266 HydrophobicContact CG-CB 4.14Å |
| 1151 | F | 87.9 | Confident | 86.4 | Confident | 90 Ų | 90 | 13.8 Ų | 13.8 | 40% | 0.395 | 7% | 0.067 | S | C | . | . | H | α-helix | trans | -60.4 | -47.6 | 174 | -93.5 | -81 | 0 | 0 | 0 | 111.4 | F947 S1147 N1148 I1149 S1154 Y1155 V1263 | F947-F1151 HydrophobicContact CD1-CB 4.48Å; S1147-F1151 WeakPolarHBondContact O-CD2 3.38Å; S1147-F1151 PolarHBondContact O-N 3.41Å; N1148-F1151 WeakPolarHBondContact O-CB 3.38Å; N1148-F1151 PolarHBondContact O-N 3.02Å; I1149-F1151 VanDerWaalsContact C-N 3.35Å; I1149-F1151 PolarHBondContact O-N 3.31Å; F1151-S1154 PolarHBondContact O-N 3.43Å; F1151-Y1155 WeakPolarHBondContact O-CB 3.48Å; F1151-Y1155 PolarHBondContact O-N 3.19Å; F1151-V1263 HydrophobicContact CD1-CG1 4.04Å; F1151-V1263 HydrophobicContact CD1-CG2 3.71Å; F1151-V1263 HydrophobicContact CD2-CG1 4.21Å; F1151-V1263 HydrophobicContact CE1-CB 4.28Å; F1151-V1263 HydrophobicContact CE1-CG1 3.5Å; F1151-V1263 HydrophobicContact CE1-CG2 3.93Å; F1151-V1263 HydrophobicContact CE2-CG1 3.68Å; F1151-V1263 HydrophobicContact CG-CG1 4.37Å; F1151-V1263 HydrophobicContact CG-CG2 4.13Å; F1151-V1263 HydrophobicContact CZ-CG1 3.31Å |
| 1152 | A | 88.7 | Confident | 87.2 | Confident | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.7 | -50.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P944 F947 N1148 I1149 Y1155 L1156 | P944-A1152 HydrophobicContact CB-CB 4.07Å; F947-A1152 HydrophobicContact CB-CB 3.98Å; N1148-A1152 PolarHBondContact O-N 3.16Å; I1149-A1152 WeakPolarHBondContact O-CB 3.37Å; I1149-A1152 PolarHBondContact O-N 3.2Å; A1152-Y1155 PolarHBondContact O-N 2.98Å; A1152-L1156 WeakPolarHBondContact O-CB 3.3Å; A1152-L1156 PolarHBondContact O-N 3.31Å |
| 1153 | A | 89.2 | Confident | 87.8 | Confident | 3 Ų | 3 | 15.5 Ų | 15.5 | 3% | 0.025 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | I1149 L1156 A1157 F1233 L1303 | I1149-A1153 WeakPolarHBondContact O-CB 3.32Å; I1149-A1153 PolarHBondContact O-N 3.24Å; A1153-L1156 PolarHBondContact O-N 3.45Å; A1153-A1157 WeakPolarHBondContact O-CB 3.48Å; A1153-A1157 PolarHBondContact O-N 3.29Å; A1153-F1233 HydrophobicContact CB-CE1 3.9Å; A1153-F1233 HydrophobicContact CB-CZ 4.25Å; A1153-L1303 HydrophobicContact CB-CD2 3.38Å |
| 1154 | S | 90.3 | Very high | 88.1 | Confident | 0 Ų | 0 | 12.7 Ų | 12.7 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -69.6 | -38.8 | 177.2 | -61.4 | 0 | 0 | 0 | 0 | 112 | L1150 F1151 S1158 | L1150-S1154 WeakPolarHBondContact CD1-OG 3.38Å; L1150-S1154 WeakPolarHBondContact O-CB 3.07Å; L1150-S1154 PolarHBondContact O-N 3.27Å; L1150-S1154 PolarHBondContact O-OG 2.9Å; F1151-S1154 PolarHBondContact O-N 3.43Å; S1154-S1158 PolarHBondContact O-N 3.13Å |
| 1155 | Y | 89.7 | Confident | 88.6 | Confident | 47 Ų | 47 | 11.7 Ų | 11.7 | 18% | 0.184 | 6% | 0.055 | C | C | . | . | H | α-helix | trans | -59.4 | -52.5 | 170.7 | 176 | -98.4 | 0 | 0 | 0 | 111.1 | S939 V943 F1151 A1152 A1157 S1158 C1159 T1259 | S939-Y1155 PolarHBondContact OG-OH 3.18Å; V943-Y1155 HydrophobicContact CB-CD1 3.9Å; V943-Y1155 HydrophobicContact CB-CE1 3.63Å; V943-Y1155 HydrophobicContact CG1-CD1 3.6Å; V943-Y1155 HydrophobicContact CG1-CE1 3.75Å; V943-Y1155 HydrophobicContact CG1-CG 4.03Å; V943-Y1155 HydrophobicContact CG2-CE1 3.95Å; F1151-Y1155 WeakPolarHBondContact O-CB 3.48Å; F1151-Y1155 PolarHBondContact O-N 3.19Å; A1152-Y1155 PolarHBondContact O-N 2.98Å; Y1155-A1157 VanDerWaalsContact C-N 3.33Å; Y1155-A1157 PolarHBondContact O-N 3.1Å; Y1155-S1158 PolarHBondContact O-N 3.05Å; Y1155-S1158 VanDerWaalsContact O-N 3.13Å; Y1155-S1158 PolarHBondContact O-OG 3.29Å; Y1155-C1159 PolarHBondContact O-N 3.32Å; Y1155-C1159 PolarHBondContact O-SG 2.93Å; Y1155-C1159 VanDerWaalsContact O-SG 3.41Å; Y1155-T1259 HydrophobicContact CD2-CG2 4.2Å |
| 1156 | L | 89.9 | Confident | 88.8 | Confident | 1 Ų | 1 | 12.8 Ų | 12.8 | 1% | 0.005 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -55.4 | -47.9 | 178.1 | 179.7 | 61.5 | 0 | 0 | 0 | 111.6 | Q940 P944 A1152 A1153 S1158 C1159 F1160 F1198 S1201 V1202 | Q940-L1156 HydrophobicContact CB-CD1 4.04Å; P944-L1156 HydrophobicContact CG-CB 4.44Å; A1152-L1156 WeakPolarHBondContact O-CB 3.3Å; A1152-L1156 PolarHBondContact O-N 3.31Å; A1153-L1156 PolarHBondContact O-N 3.45Å; L1156-S1158 VanDerWaalsContact C-N 3.35Å; L1156-S1158 PolarHBondContact O-N 3.4Å; L1156-C1159 WeakPolarHBondContact O-CB 3.39Å; L1156-C1159 PolarHBondContact O-N 2.99Å; L1156-F1160 HydrophobicContact CD1-CE2 3.78Å; L1156-F1160 HydrophobicContact CD1-CZ 4.09Å; L1156-F1160 HydrophobicContact CG-CE2 3.97Å; L1156-F1160 WeakPolarHBondContact O-CD2 3.38Å; L1156-F1160 WeakPolarHBondContact O-CE2 3.34Å; L1156-F1198 HydrophobicContact CD2-CD1 4.47Å; L1156-F1198 HydrophobicContact CD2-CD2 3.93Å; L1156-F1198 HydrophobicContact CD2-CE1 4.35Å; L1156-F1198 HydrophobicContact CD2-CE2 3.74Å; L1156-F1198 HydrophobicContact CD2-CG 4.26Å; L1156-F1198 HydrophobicContact CD2-CZ 3.97Å; L1156-F1198 HydrophobicContact CG-CD2 4Å; L1156-F1198 HydrophobicContact CG-CE2 3.9Å; L1156-S1201 WeakPolarHBondContact CD1-OG 3.12Å; L1156-V1202 HydrophobicContact CD2-CG2 4.23Å |
| 1157 | A | 90.1 | Very high | 88.9 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -57.1 | -45.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1153 Y1155 C1159 F1160 V1237 T1241 | A1153-A1157 WeakPolarHBondContact O-CB 3.48Å; A1153-A1157 PolarHBondContact O-N 3.29Å; Y1155-A1157 VanDerWaalsContact C-N 3.33Å; Y1155-A1157 PolarHBondContact O-N 3.1Å; A1157-C1159 VanDerWaalsContact C-N 3.28Å; A1157-C1159 PolarHBondContact O-N 3.48Å; A1157-F1160 PolarHBondContact O-N 3.33Å; A1157-V1237 HydrophobicContact CB-CB 4.46Å; A1157-V1237 HydrophobicContact CB-CG1 4.03Å; A1157-V1237 HydrophobicContact CB-CG2 3.56Å; A1157-T1241 WeakPolarHBondContact O-CG2 3.42Å |
| 1158 | S | 89.9 | Confident | 88.8 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -31.4 | -179.1 | 78.7 | 0 | 0 | 0 | 0 | 113.9 | S1154 Y1155 L1156 F1160 G1161 L1255 T1259 | S1154-S1158 PolarHBondContact O-N 3.13Å; Y1155-S1158 PolarHBondContact O-N 3.05Å; Y1155-S1158 VanDerWaalsContact O-N 3.13Å; Y1155-S1158 PolarHBondContact O-OG 3.29Å; L1156-S1158 VanDerWaalsContact C-N 3.35Å; L1156-S1158 PolarHBondContact O-N 3.4Å; S1158-F1160 PolarHBondContact O-N 2.89Å; S1158-G1161 WeakPolarHBondContact O-CA 3.29Å; S1158-G1161 PolarHBondContact O-N 3.4Å; S1158-L1255 WeakPolarHBondContact CB-O 3.32Å; S1158-L1255 WeakPolarHBondContact OG-CD1 3.26Å; S1158-T1259 WeakPolarHBondContact OG-CG2 3.33Å |
| 1159 | C | 90.2 | Very high | 88.6 | Confident | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.02 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -58.6 | -34.9 | -179.6 | -72.2 | 0 | 0 | 0 | 0 | 111.6 | F936 Q940 Y1155 L1156 A1157 G1161 F1162 L1255 | F936-C1159 HydrophobicContact CE1-CB 4.49Å; F936-C1159 HydrophobicContact CZ-CB 3.96Å; Q940-C1159 HydrophobicContact CG-CB 3.83Å; Y1155-C1159 PolarHBondContact O-N 3.32Å; Y1155-C1159 PolarHBondContact O-SG 2.93Å; Y1155-C1159 VanDerWaalsContact O-SG 3.41Å; L1156-C1159 WeakPolarHBondContact O-CB 3.39Å; L1156-C1159 PolarHBondContact O-N 2.99Å; A1157-C1159 VanDerWaalsContact C-N 3.28Å; A1157-C1159 PolarHBondContact O-N 3.48Å; C1159-G1161 VanDerWaalsContact C-N 3.26Å; C1159-G1161 PolarHBondContact O-N 2.93Å; C1159-F1162 WeakPolarHBondContact O-CB 3.43Å; C1159-F1162 PolarHBondContact O-N 2.91Å; C1159-F1162 VanDerWaalsContact O-N 3.16Å; C1159-L1255 HydrophobicContact CB-CD1 4.27Å |
| 1160 | F | 91.2 | Very high | 88.3 | Confident | 5 Ų | 5 | 19.6 Ų | 19.6 | 2% | 0.022 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -73.2 | -18.8 | 178.1 | -58.8 | -68.5 | 0 | 0 | 0 | 113.1 | L1156 A1157 S1158 F1162 P1164 D1194 I1197 F1198 L1238 Y1242 | L1156-F1160 HydrophobicContact CD1-CE2 3.78Å; L1156-F1160 HydrophobicContact CD1-CZ 4.09Å; L1156-F1160 HydrophobicContact CG-CE2 3.97Å; L1156-F1160 WeakPolarHBondContact O-CD2 3.38Å; L1156-F1160 WeakPolarHBondContact O-CE2 3.34Å; A1157-F1160 PolarHBondContact O-N 3.33Å; S1158-F1160 PolarHBondContact O-N 2.89Å; F1160-F1162 VanDerWaalsContact C-N 3.29Å; F1160-P1164 WeakPolarHBondContact O-CD 3.49Å; F1160-D1194 HydrophobicContact CB-CB 4.43Å; F1160-D1194 HydrophobicContact CD1-CB 3.48Å; F1160-D1194 VanDerWaalsContact CD1-CB 3.48Å; F1160-D1194 VanDerWaalsContact CD1-CG 3.41Å; F1160-D1194 WeakPolarHBondContact CD1-OD1 3.35Å; F1160-D1194 HydrophobicContact CE1-CB 3.95Å; F1160-D1194 HydrophobicContact CG-CB 4.08Å; F1160-I1197 HydrophobicContact CE1-CB 3.97Å; F1160-I1197 HydrophobicContact CE1-CG2 3.91Å; F1160-I1197 HydrophobicContact CZ-CB 4.24Å; F1160-I1197 HydrophobicContact CZ-CG2 3.96Å; F1160-F1198 HydrophobicContact CD2-CD2 4.14Å; F1160-F1198 HydrophobicContact CE2-CB 4.15Å; F1160-F1198 AromaticContact CE2-CD2 3.47Å; F1160-F1198 HydrophobicContact CE2-CD2 3.47Å; F1160-F1198 VanDerWaalsContact CE2-CD2 3.47Å; F1160-F1198 HydrophobicContact CE2-CE2 4.33Å; F1160-F1198 HydrophobicContact CE2-CG 4.26Å; F1160-F1198 HydrophobicContact CZ-CB 3.98Å; F1160-F1198 HydrophobicContact CZ-CD2 4.17Å; F1160-L1238 HydrophobicContact CB-CD2 3.69Å; F1160-L1238 HydrophobicContact CD1-CD2 4.44Å; F1160-L1238 HydrophobicContact CD2-CD2 3.35Å; F1160-L1238 HydrophobicContact CE2-CD2 4.11Å; F1160-L1238 HydrophobicContact CG-CD2 3.55Å; F1160-Y1242 HydrophobicContact CB-CE1 4.38Å |
| 1161 | G | 88.4 | Confident | 88 | Confident | 0 Ų | 0 | 23.4 Ų | 23.4 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.2 | -17.8 | 170.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | S1158 C1159 P1164 V1165 | S1158-G1161 WeakPolarHBondContact O-CA 3.29Å; S1158-G1161 PolarHBondContact O-N 3.4Å; C1159-G1161 VanDerWaalsContact C-N 3.26Å; C1159-G1161 PolarHBondContact O-N 2.93Å; G1161-P1164 WeakPolarHBondContact O-CD 3.43Å; G1161-V1165 VanDerWaalsContact O-CG2 3.31Å; G1161-V1165 WeakPolarHBondContact O-CG2 3.49Å; G1161-V1165 PolarHBondContact O-N 3.3Å |
| 1162 | F | 88.3 | Confident | 88 | Confident | 28 Ų | 28 | 19.2 Ų | 19.2 | 12% | 0.123 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -62.5 | -51.1 | -176.6 | -177.6 | -85.7 | 0 | 0 | 0 | 112.4 | F929 F936 C1159 F1160 V1165 Y1166 P1251 T1252 | F929-F1162 HydrophobicContact CZ-CE1 4.21Å; F936-F1162 HydrophobicContact CE1-CB 4.47Å; F936-F1162 HydrophobicContact CE2-CD2 4.46Å; F936-F1162 HydrophobicContact CE2-CG 4.48Å; F936-F1162 HydrophobicContact CZ-CB 3.88Å; F936-F1162 HydrophobicContact CZ-CD1 4.42Å; F936-F1162 HydrophobicContact CZ-CD2 4.4Å; F936-F1162 AromaticContact CZ-CG 4Å; F936-F1162 HydrophobicContact CZ-CG 4Å; C1159-F1162 WeakPolarHBondContact O-CB 3.43Å; C1159-F1162 PolarHBondContact O-N 2.91Å; C1159-F1162 VanDerWaalsContact O-N 3.16Å; F1160-F1162 VanDerWaalsContact C-N 3.29Å; F1162-V1165 PolarHBondContact O-N 3.16Å; F1162-Y1166 VanDerWaalsContact O-CB 3.28Å; F1162-Y1166 WeakPolarHBondContact O-CB 3.31Å; F1162-Y1166 PolarHBondContact O-N 3.49Å; F1162-P1251 HydrophobicContact CD2-CB 3.79Å; F1162-P1251 HydrophobicContact CE1-CB 4.45Å; F1162-P1251 HydrophobicContact CE2-CB 3.7Å; F1162-P1251 HydrophobicContact CE2-CG 4.13Å; F1162-P1251 HydrophobicContact CG-CB 4.22Å; F1162-P1251 HydrophobicContact CZ-CB 4.05Å; F1162-P1251 HydrophobicContact CZ-CG 4.26Å; F1162-T1252 HydrophobicContact CE2-CG2 4.05Å |
| 1163 | F | 88.5 | Confident | 88 | Confident | 14 Ų | 14 | 20.3 Ų | 20.3 | 6% | 0.061 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.3 | -43.6 | -173.8 | -171.9 | -85.7 | 0 | 0 | 0 | 113.3 | K925 R926 F929 V1165 Y1166 E1167 | K925-F1163 HydrophobicContact CD-CZ 4.43Å; R926-F1163 HydrophobicContact CG-CZ 4.48Å; F929-F1163 HydrophobicContact CB-CE2 4.16Å; F929-F1163 AromaticContact CD1-CD2 3.8Å; F929-F1163 HydrophobicContact CD1-CD2 3.8Å; F929-F1163 AromaticContact CD1-CE2 3.99Å; F929-F1163 HydrophobicContact CD1-CE2 3.99Å; F929-F1163 HydrophobicContact CD2-CD2 4.21Å; F929-F1163 AromaticContact CD2-CE2 3.91Å; F929-F1163 HydrophobicContact CD2-CE2 3.91Å; F929-F1163 AromaticContact CE1-CD2 3.81Å; F929-F1163 HydrophobicContact CE1-CD2 3.81Å; F929-F1163 HydrophobicContact CE1-CE2 4.39Å; F929-F1163 HydrophobicContact CE2-CD2 4.19Å; F929-F1163 HydrophobicContact CE2-CE2 4.28Å; F929-F1163 HydrophobicContact CG-CD2 4.01Å; F929-F1163 AromaticContact CG-CE2 3.74Å; F929-F1163 HydrophobicContact CG-CE2 3.74Å; F929-F1163 HydrophobicContact CZ-CD2 4.01Å; F1163-V1165 VanDerWaalsContact C-N 3.32Å; F1163-V1165 PolarHBondContact O-N 3.4Å; F1163-Y1166 WeakPolarHBondContact O-CB 3.29Å; F1163-Y1166 PolarHBondContact O-N 3.38Å; F1163-E1167 HydrophobicContact CD1-CG 4.11Å; F1163-E1167 HydrophobicContact CE1-CG 3.66Å; F1163-E1167 WeakPolarHBondContact CE1-OE1 3.32Å; F1163-E1167 HydrophobicContact CZ-CG 3.96Å; F1163-E1167 WeakPolarHBondContact CZ-OE1 3.2Å; F1163-E1167 PolarHBondContact O-N 3.41Å |
| 1164 | P | 89.2 | Confident | 87.8 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -57.8 | -39.9 | 173.1 | -26.5 | 34.8 | 0 | 0 | 0 | 113.8 | F1160 G1161 T1168 Y1242 | F1160-P1164 WeakPolarHBondContact O-CD 3.49Å; G1161-P1164 WeakPolarHBondContact O-CD 3.43Å; P1164-T1168 PolarHBondContact O-N 3.35Å; P1164-T1168 PolarHBondContact O-OG1 2.73Å; P1164-Y1242 HydrophobicContact CG-CD1 3.96Å; P1164-Y1242 HydrophobicContact CG-CE1 4.22Å |
| 1165 | V | 88.3 | Confident | 87.7 | Confident | 4 Ų | 4 | 21.9 Ų | 21.9 | 2% | 0.024 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.1 | -44.8 | 175.7 | 179.6 | 0 | 0 | 0 | 0 | 110.1 | G1161 F1162 F1163 E1167 T1168 V1169 S1245 P1251 | G1161-V1165 VanDerWaalsContact O-CG2 3.31Å; G1161-V1165 WeakPolarHBondContact O-CG2 3.49Å; G1161-V1165 PolarHBondContact O-N 3.3Å; F1162-V1165 PolarHBondContact O-N 3.16Å; F1163-V1165 VanDerWaalsContact C-N 3.32Å; F1163-V1165 PolarHBondContact O-N 3.4Å; V1165-E1167 PolarHBondContact O-N 3.48Å; V1165-T1168 PolarHBondContact O-N 2.99Å; V1165-T1168 VanDerWaalsContact O-N 3.08Å; V1165-V1169 HydrophobicContact CG1-CG2 3.95Å; V1165-V1169 VanDerWaalsContact O-CG2 3.28Å; V1165-V1169 WeakPolarHBondContact O-CG2 3.33Å; V1165-V1169 PolarHBondContact O-N 3.01Å; V1165-S1245 VanDerWaalsContact CG2-O 3.24Å; V1165-S1245 WeakPolarHBondContact CG2-O 3.43Å; V1165-P1251 HydrophobicContact CB-CB 4.2Å; V1165-P1251 HydrophobicContact CG1-CB 4.08Å |
| 1166 | Y | 88.1 | Confident | 87.7 | Confident | 26 Ų | 26 | 19.7 Ų | 19.7 | 10% | 0.102 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -56.5 | -46.3 | -179.5 | -179.8 | -104.2 | 0 | 0 | 0 | 113.1 | F929 F1162 F1163 T1168 V1169 T1170 P1251 L1548 P1549 Y1550 | F929-Y1166 HydrophobicContact CE2-CE1 4.39Å; F1162-Y1166 VanDerWaalsContact O-CB 3.28Å; F1162-Y1166 WeakPolarHBondContact O-CB 3.31Å; F1162-Y1166 PolarHBondContact O-N 3.49Å; F1163-Y1166 WeakPolarHBondContact O-CB 3.29Å; F1163-Y1166 PolarHBondContact O-N 3.38Å; Y1166-T1168 VanDerWaalsContact C-N 3.29Å; Y1166-T1168 PolarHBondContact O-N 2.94Å; Y1166-V1169 PolarHBondContact O-N 2.89Å; Y1166-T1170 HydrophobicContact CE1-CG2 4.48Å; Y1166-T1170 HydrophobicContact CE2-CG2 4.21Å; Y1166-T1170 WeakPolarHBondContact O-CB 3.37Å; Y1166-T1170 WeakPolarHBondContact O-CG2 3.43Å; Y1166-T1170 PolarHBondContact O-N 2.81Å; Y1166-T1170 PolarHBondContact O-OG1 3.36Å; Y1166-P1251 HydrophobicContact CD2-CG 4.4Å; Y1166-L1548 HydrophobicContact CD1-CD2 4.47Å; Y1166-L1548 HydrophobicContact CE1-CD2 3.98Å; Y1166-P1549 WeakPolarHBondContact OH-CD 3.45Å; Y1166-P1549 WeakPolarHBondContact OH-CG 3.27Å; Y1166-Y1550 HydrophobicContact CE1-CD2 4.37Å; Y1166-Y1550 HydrophobicContact CE1-CE2 4.46Å; Y1166-Y1550 HydrophobicContact CE2-CE2 4.38Å; Y1166-Y1550 AromaticContact CZ-CE2 3.84Å; Y1166-Y1550 WeakPolarHBondContact OH-CD2 3.33Å; Y1166-Y1550 VanDerWaalsContact OH-CE2 3.24Å; Y1166-Y1550 WeakPolarHBondContact OH-CE2 3.34Å |
| 1167 | E | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 21.3 Ų | 21.3 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.1 | -26.8 | 176.8 | -68.8 | -161.4 | 137.5 | 0 | 0 | 113.7 | K925 F1163 V1165 T1170 K1171 A1172 K1173 Q1176 Y1186 L1548 | K925-E1167 WeakPolarHBondContact CE-OE1 3.49Å; K925-E1167 IonicContact NZ-OE1 3.37Å; K925-E1167 PolarHBondContact NZ-OE1 3.42Å; K925-E1167 IonicContact NZ-OE2 3.05Å; F1163-E1167 HydrophobicContact CD1-CG 4.11Å; F1163-E1167 HydrophobicContact CE1-CG 3.66Å; F1163-E1167 WeakPolarHBondContact CE1-OE1 3.32Å; F1163-E1167 HydrophobicContact CZ-CG 3.96Å; F1163-E1167 WeakPolarHBondContact CZ-OE1 3.2Å; F1163-E1167 PolarHBondContact O-N 3.41Å; V1165-E1167 PolarHBondContact O-N 3.48Å; E1167-T1170 WeakPolarHBondContact CA-OG1 3.28Å; E1167-T1170 PolarHBondContact O-OG1 2.95Å; E1167-K1171 CarbonylContact O-C 3.53Å; E1167-K1171 PolarHBondContact O-N 3.37Å; E1167-A1172 PolarHBondContact O-N 3.09Å; E1167-A1172 VanDerWaalsContact O-N 3.1Å; E1167-K1173 HydrophobicContact CB-CB 4.11Å; E1167-K1173 PolarHBondContact O-N 2.86Å; E1167-Q1176 PolarHBondContact OE1-NE2 2.97Å; E1167-Y1186 VanDerWaalsContact OE2-CE2 3.31Å; E1167-Y1186 WeakPolarHBondContact OE2-CE2 3.3Å; E1167-Y1186 PolarHBondContact OE2-OH 3.33Å; E1167-L1548 HydrophobicContact CG-CD2 4.36Å |
| 1168 | T | 84.5 | Confident | 87.2 | Confident | 76 Ų | 76 | 21.3 Ų | 21.3 | 47% | 0.466 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -76.8 | -40 | 178.2 | -51.4 | 0 | 0 | 0 | 0 | 110.8 | P1164 V1165 Y1166 K1171 | P1164-T1168 PolarHBondContact O-N 3.35Å; P1164-T1168 PolarHBondContact O-OG1 2.73Å; V1165-T1168 PolarHBondContact O-N 2.99Å; V1165-T1168 VanDerWaalsContact O-N 3.08Å; Y1166-T1168 VanDerWaalsContact C-N 3.29Å; Y1166-T1168 PolarHBondContact O-N 2.94Å; T1168-K1171 PolarHBondContact O-N 3.16Å |
| 1169 | V | 81.3 | Confident | 86.9 | Confident | 76 Ų | 76 | 21.5 Ų | 21.5 | 46% | 0.461 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -69.6 | -42.9 | 178.3 | 174.3 | 0 | 0 | 0 | 0 | 111.5 | V1165 Y1166 K1171 R1249 | V1165-V1169 HydrophobicContact CG1-CG2 3.95Å; V1165-V1169 VanDerWaalsContact O-CG2 3.28Å; V1165-V1169 WeakPolarHBondContact O-CG2 3.33Å; V1165-V1169 PolarHBondContact O-N 3.01Å; Y1166-V1169 PolarHBondContact O-N 2.89Å; V1169-K1171 PolarHBondContact O-N 3.29Å; V1169-R1249 WeakPolarHBondContact CG2-O 3.4Å |
| 1170 | T | 81.9 | Confident | 86.5 | Confident | 33 Ų | 33 | 21.5 Ų | 21.5 | 20% | 0.202 | 11% | 0.112 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -6 | 173.7 | 52.9 | 0 | 0 | 0 | 0 | 112.9 | Y1166 E1167 A1172 A1546 | Y1166-T1170 HydrophobicContact CE1-CG2 4.48Å; Y1166-T1170 HydrophobicContact CE2-CG2 4.21Å; Y1166-T1170 WeakPolarHBondContact O-CB 3.37Å; Y1166-T1170 WeakPolarHBondContact O-CG2 3.43Å; Y1166-T1170 PolarHBondContact O-N 2.81Å; Y1166-T1170 PolarHBondContact O-OG1 3.36Å; E1167-T1170 WeakPolarHBondContact CA-OG1 3.28Å; E1167-T1170 PolarHBondContact O-OG1 2.95Å; T1170-A1172 PolarHBondContact O-N 3.44Å; T1170-A1546 VanDerWaalsContact O-CA 3.24Å; T1170-A1546 WeakPolarHBondContact O-CA 3.29Å; T1170-A1546 WeakPolarHBondContact O-CB 2.97Å |
| 1171 | K | 84.6 | Confident | 86.3 | Confident | 82 Ų | 82 | 21.4 Ų | 21.4 | 36% | 0.357 | 11% | 0.111 | S | C | . | . | S | Bend | trans | 58.8 | 6.6 | -172.3 | -69.9 | -75.2 | -166.2 | 155.2 | 0 | 114.7 | E1167 T1168 V1169 K1173 H1174 L1175 D1512 A1546 | E1167-K1171 CarbonylContact O-C 3.53Å; E1167-K1171 PolarHBondContact O-N 3.37Å; T1168-K1171 PolarHBondContact O-N 3.16Å; V1169-K1171 PolarHBondContact O-N 3.29Å; K1171-K1173 PolarHBondContact O-N 3.22Å; K1171-H1174 WeakPolarHBondContact O-CB 3.3Å; K1171-H1174 PolarHBondContact O-N 3.12Å; K1171-L1175 PolarHBondContact O-N 2.95Å; K1171-D1512 IonicContact NZ-OD1 3.93Å; K1171-D1512 PolarHBondContact NZ-OD1 3.36Å; K1171-D1512 IonicContact NZ-OD2 3.56Å; K1171-D1512 PolarHBondContact NZ-OD2 3.09Å; K1171-A1546 HydrophobicContact CB-CB 4.1Å |
| 1172 | A | 86.8 | Confident | 86.2 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.008 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59 | -33.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1167 T1170 H1174 L1175 Q1176 L1548 | E1167-A1172 PolarHBondContact O-N 3.09Å; E1167-A1172 VanDerWaalsContact O-N 3.1Å; T1170-A1172 PolarHBondContact O-N 3.44Å; A1172-H1174 VanDerWaalsContact C-N 3.32Å; A1172-H1174 PolarHBondContact O-N 3.45Å; A1172-L1175 PolarHBondContact O-N 3.01Å; A1172-Q1176 VanDerWaalsContact O-CG 3.28Å; A1172-Q1176 WeakPolarHBondContact O-CG 3.43Å; A1172-Q1176 PolarHBondContact O-N 3.32Å; A1172-L1548 HydrophobicContact CB-CD2 3.94Å; A1172-L1548 HydrophobicContact CB-CG 4.06Å |
| 1173 | K | 88 | Confident | 86.1 | Confident | 24 Ų | 24 | 24.3 Ų | 24.3 | 10% | 0.104 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.6 | -44.2 | 173.8 | -179.6 | 174.9 | 179.4 | 177.7 | 0 | 111.6 | E1167 K1171 Q1176 F1177 Y1186 D1383 | E1167-K1173 HydrophobicContact CB-CB 4.11Å; E1167-K1173 PolarHBondContact O-N 2.86Å; K1171-K1173 PolarHBondContact O-N 3.22Å; K1173-Q1176 PolarHBondContact O-N 3.48Å; K1173-F1177 HydrophobicContact CD-CE2 4.22Å; K1173-F1177 HydrophobicContact CG-CD2 3.99Å; K1173-F1177 HydrophobicContact CG-CE2 3.61Å; K1173-F1177 WeakPolarHBondContact O-CD2 3.37Å; K1173-F1177 PolarHBondContact O-N 3.08Å; K1173-Y1186 HydrophobicContact CD-CE1 4.21Å; K1173-Y1186 HydrophobicContact CG-CE2 4.46Å; K1173-D1383 IonicContact NZ-OD1 2.8Å; K1173-D1383 IonicContact NZ-OD2 3.88Å; K1173-D1383 PolarHBondContact NZ-OD2 3.35Å |
| 1174 | H | 85.1 | Confident | 86.1 | Confident | 28 Ų | 28 | 26 Ų | 26 | 13% | 0.13 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 178.1 | 177.1 | 71.7 | 0 | 0 | 0 | 111 | K1171 A1172 Q1176 F1177 V1178 D1512 | K1171-H1174 WeakPolarHBondContact O-CB 3.3Å; K1171-H1174 PolarHBondContact O-N 3.12Å; A1172-H1174 VanDerWaalsContact C-N 3.32Å; A1172-H1174 PolarHBondContact O-N 3.45Å; H1174-Q1176 VanDerWaalsContact C-N 3.3Å; H1174-Q1176 PolarHBondContact O-N 2.94Å; H1174-F1177 PolarHBondContact O-N 2.71Å; H1174-F1177 VanDerWaalsContact O-N 3.09Å; H1174-V1178 WeakPolarHBondContact O-CG2 3.48Å; H1174-V1178 PolarHBondContact O-N 3.47Å; H1174-D1512 IonicContact ND1-OD1 2.62Å |
| 1175 | L | 88 | Confident | 86.1 | Confident | 7 Ų | 7 | 27.2 Ų | 27.2 | 4% | 0.037 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -62.2 | -36.3 | 178.5 | -167.1 | 62.9 | 0 | 0 | 0 | 112.7 | K1171 A1172 V1178 S1179 A1546 F1560 I1607 | K1171-L1175 PolarHBondContact O-N 2.95Å; A1172-L1175 PolarHBondContact O-N 3.01Å; L1175-V1178 PolarHBondContact O-N 3.31Å; L1175-S1179 WeakPolarHBondContact O-CB 3.46Å; L1175-S1179 PolarHBondContact O-N 3.1Å; L1175-S1179 PolarHBondContact O-OG 3.19Å; L1175-A1546 HydrophobicContact CD2-CB 4.24Å; L1175-F1560 HydrophobicContact CB-CE1 4.4Å; L1175-F1560 HydrophobicContact CB-CZ 4.43Å; L1175-F1560 HydrophobicContact CD2-CE1 4.05Å; L1175-F1560 HydrophobicContact CD2-CE2 4.37Å; L1175-F1560 HydrophobicContact CD2-CZ 3.65Å; L1175-F1560 HydrophobicContact CG-CE1 3.81Å; L1175-F1560 HydrophobicContact CG-CZ 3.91Å; L1175-I1607 HydrophobicContact CD2-CG2 4.06Å; L1175-I1607 HydrophobicContact CG-CG2 4.47Å |
| 1176 | Q | 90.3 | Very high | 86.3 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.2 | -39.3 | 173.1 | -71.5 | 170.9 | 38 | 0 | 0 | 112 | E1167 A1172 K1173 H1174 S1179 G1180 V1181 F1560 L1563 | E1167-Q1176 PolarHBondContact OE1-NE2 2.97Å; A1172-Q1176 VanDerWaalsContact O-CG 3.28Å; A1172-Q1176 WeakPolarHBondContact O-CG 3.43Å; A1172-Q1176 PolarHBondContact O-N 3.32Å; K1173-Q1176 PolarHBondContact O-N 3.48Å; H1174-Q1176 VanDerWaalsContact C-N 3.3Å; H1174-Q1176 PolarHBondContact O-N 2.94Å; Q1176-S1179 PolarHBondContact O-N 2.75Å; Q1176-G1180 PolarHBondContact O-N 3.39Å; Q1176-V1181 HydrophobicContact CB-CG2 4.29Å; Q1176-V1181 WeakPolarHBondContact O-CB 3.19Å; Q1176-V1181 VanDerWaalsContact O-CG2 3.31Å; Q1176-V1181 WeakPolarHBondContact O-CG2 3.47Å; Q1176-V1181 PolarHBondContact O-N 3.45Å; Q1176-F1560 HydrophobicContact CG-CE1 4.37Å; Q1176-L1563 HydrophobicContact CB-CD1 4.22Å; Q1176-L1563 HydrophobicContact CG-CD1 3.95Å |
| 1177 | F | 85.9 | Confident | 86.5 | Confident | 35 Ų | 35 | 26.6 Ų | 26.6 | 15% | 0.154 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.9 | -41.5 | 175 | -77.7 | -61.6 | 0 | 0 | 0 | 112.9 | K1173 H1174 S1179 G1180 V1181 L1183 Y1186 | K1173-F1177 HydrophobicContact CD-CE2 4.22Å; K1173-F1177 HydrophobicContact CG-CD2 3.99Å; K1173-F1177 HydrophobicContact CG-CE2 3.61Å; K1173-F1177 WeakPolarHBondContact O-CD2 3.37Å; K1173-F1177 PolarHBondContact O-N 3.08Å; H1174-F1177 PolarHBondContact O-N 2.71Å; H1174-F1177 VanDerWaalsContact O-N 3.09Å; F1177-S1179 PolarHBondContact O-N 3.36Å; F1177-G1180 PolarHBondContact O-N 3.05Å; F1177-V1181 HydrophobicContact CD1-CB 4.49Å; F1177-V1181 WeakPolarHBondContact CD1-O 3.35Å; F1177-V1181 HydrophobicContact CE1-CG1 4.45Å; F1177-L1183 HydrophobicContact CE1-CB 4.35Å; F1177-L1183 HydrophobicContact CE1-CD1 4.22Å; F1177-L1183 HydrophobicContact CZ-CD1 3.84Å; F1177-Y1186 HydrophobicContact CZ-CD1 4.34Å; F1177-Y1186 HydrophobicContact CZ-CG 4.23Å |
| 1178 | V | 83.8 | Confident | 86.6 | Confident | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -58.9 | -38.8 | 173.6 | 176.4 | 0 | 0 | 0 | 0 | 110 | H1174 L1175 G1180 Q1535 L1538 | H1174-V1178 WeakPolarHBondContact O-CG2 3.48Å; H1174-V1178 PolarHBondContact O-N 3.47Å; L1175-V1178 PolarHBondContact O-N 3.31Å; V1178-G1180 PolarHBondContact O-N 3.12Å; V1178-G1180 VanDerWaalsContact O-N 3.15Å; V1178-Q1535 HydrophobicContact CG2-CG 4.44Å; V1178-Q1535 CarbonylContact O-C 3.55Å; V1178-L1538 HydrophobicContact CG1-CD2 4.3Å |
| 1179 | S | 84.9 | Confident | 87 | Confident | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.028 | 15% | 0.145 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.2 | -4.9 | 176.6 | -55.8 | 0 | 0 | 0 | 0 | 114.8 | L1175 Q1176 F1177 F1560 | L1175-S1179 WeakPolarHBondContact O-CB 3.46Å; L1175-S1179 PolarHBondContact O-N 3.1Å; L1175-S1179 PolarHBondContact O-OG 3.19Å; Q1176-S1179 PolarHBondContact O-N 2.75Å; F1177-S1179 PolarHBondContact O-N 3.36Å; S1179-F1560 WeakPolarHBondContact OG-CD1 3.37Å |
| 1180 | G | 81.1 | Confident | 87.5 | Confident | 3 Ų | 3 | 23.8 Ų | 23.8 | 3% | 0.031 | 12% | 0.123 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 110 | 9.9 | 169.3 | 0 | 0 | 0 | 0 | 0 | 117.5 | Q918 Q1176 F1177 V1178 Q1536 | Q918-G1180 PolarHBondContact NE2-O 3.02Å; Q1176-G1180 PolarHBondContact O-N 3.39Å; F1177-G1180 PolarHBondContact O-N 3.05Å; V1178-G1180 PolarHBondContact O-N 3.12Å; V1178-G1180 VanDerWaalsContact O-N 3.15Å; G1180-Q1536 VanDerWaalsContact CA-CG 3.41Å; G1180-Q1536 PolarHBondContact O-NE2 3.42Å |
| 1181 | V | 87.5 | Confident | 88 | Confident | 2 Ų | 2 | 24.1 Ų | 24.1 | 1% | 0.012 | 12% | 0.121 | C | C | . | . | trans | -63.4 | 133.1 | 178.8 | 172 | 0 | 0 | 0 | 0 | 111.8 | L922 Q1176 F1177 L1563 | L922-V1181 HydrophobicContact CD1-CG1 4.15Å; Q1176-V1181 HydrophobicContact CB-CG2 4.29Å; Q1176-V1181 WeakPolarHBondContact O-CB 3.19Å; Q1176-V1181 VanDerWaalsContact O-CG2 3.31Å; Q1176-V1181 WeakPolarHBondContact O-CG2 3.47Å; Q1176-V1181 PolarHBondContact O-N 3.45Å; F1177-V1181 HydrophobicContact CD1-CB 4.49Å; F1177-V1181 WeakPolarHBondContact CD1-O 3.35Å; F1177-V1181 HydrophobicContact CE1-CG1 4.45Å; V1181-L1563 HydrophobicContact CG2-CB 4.43Å; V1181-L1563 HydrophobicContact CG2-CD1 3.8Å; V1181-L1563 HydrophobicContact CG2-CD2 3.36Å; V1181-L1563 HydrophobicContact CG2-CG 4.03Å | ||
| 1182 | K | 86.3 | Confident | 88.4 | Confident | 78 Ų | 78 | 24.7 Ų | 24.7 | 34% | 0.339 | 13% | 0.126 | S | C | . | . | trans | -76.1 | 140.3 | 169.9 | -71.9 | -168.7 | 173.5 | -176 | 0 | 111.8 | Y915 A1184 L1185 Y1186 | Y915-K1182 HydrophobicContact CD1-CD 4.25Å; Y915-K1182 HydrophobicContact CE1-CD 3.82Å; Y915-K1182 VanDerWaalsContact OH-CE 3.27Å; Y915-K1182 WeakPolarHBondContact OH-CE 3.4Å; Y915-K1182 PolarHBondContact OH-NZ 3.28Å; K1182-A1184 PolarHBondContact O-N 2.97Å; K1182-L1185 HydrophobicContact CB-CB 4.39Å; K1182-L1185 HydrophobicContact CB-CD1 3.94Å; K1182-L1185 HydrophobicContact CD-CD1 4.35Å; K1182-L1185 HydrophobicContact CG-CD1 4.45Å; K1182-L1185 PolarHBondContact O-N 3.28Å; K1182-Y1186 PolarHBondContact O-N 2.98Å; K1182-Y1186 VanDerWaalsContact O-N 3.1Å | ||
| 1183 | L | 85.5 | Confident | 88.6 | Confident | 12 Ų | 12 | 27.1 Ų | 27.1 | 6% | 0.063 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -56.9 | -43.4 | -178.8 | 179.3 | 64.9 | 0 | 0 | 0 | 114 | F1177 Y1186 W1187 D1383 R1532 | F1177-L1183 HydrophobicContact CE1-CB 4.35Å; F1177-L1183 HydrophobicContact CE1-CD1 4.22Å; F1177-L1183 HydrophobicContact CZ-CD1 3.84Å; L1183-Y1186 PolarHBondContact O-N 3.27Å; L1183-W1187 PolarHBondContact O-N 3.29Å; L1183-D1383 HydrophobicContact CD1-CB 3.46Å; L1183-D1383 VanDerWaalsContact CD1-CB 3.46Å; L1183-D1383 HydrophobicContact CD2-CB 3.93Å; L1183-D1383 HydrophobicContact CG-CB 4.32Å; L1183-R1532 VanDerWaalsContact CB-NH2 3.26Å |
| 1184 | A | 88 | Confident | 88.9 | Confident | 50 Ų | 50 | 26.4 Ų | 26.4 | 41% | 0.413 | 13% | 0.132 | S | C | . | . | H | α-helix | trans | -65.5 | -44.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1182 Y1186 W1187 I1188 | K1182-A1184 PolarHBondContact O-N 2.97Å; A1184-Y1186 VanDerWaalsContact C-N 3.32Å; A1184-Y1186 PolarHBondContact O-N 3.39Å; A1184-W1187 PolarHBondContact O-N 3.35Å; A1184-I1188 HydrophobicContact CB-CD1 4.5Å; A1184-I1188 WeakPolarHBondContact O-CB 3.31Å; A1184-I1188 VanDerWaalsContact O-CG1 3.24Å; A1184-I1188 WeakPolarHBondContact O-CG1 3.26Å; A1184-I1188 PolarHBondContact O-N 3.05Å |
| 1185 | L | 90.7 | Very high | 89.2 | Confident | 28 Ų | 28 | 26 Ų | 26 | 15% | 0.147 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -60.4 | -40.8 | 177.7 | -83.7 | 156.7 | 0 | 0 | 0 | 112.2 | Y915 F919 K1182 S1189 | Y915-L1185 HydrophobicContact CD1-CD1 3.9Å; Y915-L1185 HydrophobicContact CG-CD1 3.99Å; F919-L1185 HydrophobicContact CB-CD2 3.82Å; F919-L1185 HydrophobicContact CD2-CD2 4.02Å; F919-L1185 HydrophobicContact CG-CD2 4.35Å; K1182-L1185 HydrophobicContact CB-CB 4.39Å; K1182-L1185 HydrophobicContact CB-CD1 3.94Å; K1182-L1185 HydrophobicContact CD-CD1 4.35Å; K1182-L1185 HydrophobicContact CG-CD1 4.45Å; K1182-L1185 PolarHBondContact O-N 3.28Å; L1185-S1189 WeakPolarHBondContact O-CB 3.41Å; L1185-S1189 PolarHBondContact O-N 3.49Å; L1185-S1189 VanDerWaalsContact O-N 3.09Å |
| 1186 | Y | 91.8 | Very high | 89.3 | Confident | 2 Ų | 2 | 29.7 Ų | 29.7 | 1% | 0.008 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.9 | -56.9 | 174.1 | 178.8 | -97.6 | 0 | 0 | 0 | 110.8 | L922 E1167 K1173 F1177 K1182 L1183 A1184 S1189 I1190 | L922-Y1186 HydrophobicContact CD2-CD2 4.43Å; E1167-Y1186 VanDerWaalsContact OE2-CE2 3.31Å; E1167-Y1186 WeakPolarHBondContact OE2-CE2 3.3Å; E1167-Y1186 PolarHBondContact OE2-OH 3.33Å; K1173-Y1186 HydrophobicContact CD-CE1 4.21Å; K1173-Y1186 HydrophobicContact CG-CE2 4.46Å; F1177-Y1186 HydrophobicContact CZ-CD1 4.34Å; F1177-Y1186 HydrophobicContact CZ-CG 4.23Å; K1182-Y1186 PolarHBondContact O-N 2.98Å; K1182-Y1186 VanDerWaalsContact O-N 3.1Å; L1183-Y1186 PolarHBondContact O-N 3.27Å; A1184-Y1186 VanDerWaalsContact C-N 3.32Å; A1184-Y1186 PolarHBondContact O-N 3.39Å; Y1186-S1189 PolarHBondContact O-N 3.23Å; Y1186-I1190 HydrophobicContact CD1-CD1 3.93Å; Y1186-I1190 HydrophobicContact CE1-CD1 3.36Å; Y1186-I1190 HydrophobicContact CE2-CD1 4Å; Y1186-I1190 HydrophobicContact CG-CD1 4.47Å; Y1186-I1190 VanDerWaalsContact O-CG1 3.28Å; Y1186-I1190 WeakPolarHBondContact O-CG1 3.42Å; Y1186-I1190 PolarHBondContact O-N 3.02Å |
| 1187 | W | 91.8 | Very high | 89.3 | Confident | 15 Ų | 15 | 30.5 Ų | 30.5 | 6% | 0.057 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -69.3 | -36.2 | -175.9 | -74.7 | 113.2 | 0 | 0 | 0 | 114 | L1183 A1184 I1190 Y1191 Y1242 V1379 L1380 D1383 | L1183-W1187 PolarHBondContact O-N 3.29Å; A1184-W1187 PolarHBondContact O-N 3.35Å; W1187-I1190 HydrophobicContact CE3-CD1 4.29Å; W1187-I1190 HydrophobicContact CE3-CG2 4.35Å; W1187-I1190 HydrophobicContact CZ3-CD1 4.41Å; W1187-I1190 WeakPolarHBondContact O-CB 3.28Å; W1187-I1190 PolarHBondContact O-N 2.93Å; W1187-Y1191 VanDerWaalsContact O-CB 3.32Å; W1187-Y1191 WeakPolarHBondContact O-CB 3.44Å; W1187-Y1191 PolarHBondContact O-N 2.9Å; W1187-Y1242 HydrophobicContact CE3-CD2 4.04Å; W1187-Y1242 HydrophobicContact CE3-CE2 4.47Å; W1187-Y1242 HydrophobicContact CE3-CG 4.49Å; W1187-Y1242 HydrophobicContact CZ3-CD1 4.4Å; W1187-Y1242 AromaticContact CZ3-CD2 3.75Å; W1187-Y1242 HydrophobicContact CZ3-CD2 3.75Å; W1187-Y1242 HydrophobicContact CZ3-CE2 4.43Å; W1187-Y1242 AromaticContact CZ3-CG 3.74Å; W1187-Y1242 HydrophobicContact CZ3-CG 3.74Å; W1187-V1379 HydrophobicContact CD2-CG1 3.51Å; W1187-V1379 HydrophobicContact CE3-CG1 3.73Å; W1187-V1379 HydrophobicContact CG-CG1 4.02Å; W1187-V1379 HydrophobicContact CH2-CG1 4Å; W1187-V1379 HydrophobicContact CZ2-CG1 3.79Å; W1187-V1379 HydrophobicContact CZ3-CG1 3.98Å; W1187-L1380 HydrophobicContact CB-CD2 4.41Å; W1187-D1383 VanDerWaalsContact CZ2-OD2 3.29Å; W1187-D1383 WeakPolarHBondContact CZ2-OD2 3.49Å; W1187-D1383 PolarHBondContact NE1-OD2 3.25Å |
| 1188 | I | 91.9 | Very high | 89.5 | Confident | 90 Ų | 90 | 29 Ų | 29 | 46% | 0.462 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -65.2 | -42.9 | 177.8 | -67.7 | 167.1 | 0 | 0 | 0 | 110.9 | F919 A1184 I1190 Y1191 M1192 | F919-I1188 HydrophobicContact CE2-CG2 4.06Å; A1184-I1188 HydrophobicContact CB-CD1 4.5Å; A1184-I1188 WeakPolarHBondContact O-CB 3.31Å; A1184-I1188 VanDerWaalsContact O-CG1 3.24Å; A1184-I1188 WeakPolarHBondContact O-CG1 3.26Å; A1184-I1188 PolarHBondContact O-N 3.05Å; I1188-I1190 VanDerWaalsContact C-N 3.3Å; I1188-I1190 PolarHBondContact O-N 3.14Å; I1188-Y1191 PolarHBondContact O-N 3.15Å; I1188-M1192 HydrophobicContact CG2-CG 4.4Å; I1188-M1192 HydrophobicContact CG2-SD 4.34Å; I1188-M1192 PolarHBondContact O-N 3.14Å |
| 1189 | S | 92.4 | Very high | 89.9 | Confident | 2 Ų | 2 | 34.6 Ų | 34.6 | 1% | 0.014 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -61.5 | -40.9 | 176.1 | 171 | 0 | 0 | 0 | 0 | 111.7 | L922 M923 L1185 Y1186 W1193 | L922-S1189 WeakPolarHBondContact CB-OG 3.44Å; M923-S1189 PolarHBondContact N-OG 3.46Å; M923-S1189 PolarHBondContact SD-OG 3.42Å; L1185-S1189 WeakPolarHBondContact O-CB 3.41Å; L1185-S1189 PolarHBondContact O-N 3.49Å; L1185-S1189 VanDerWaalsContact O-N 3.09Å; Y1186-S1189 PolarHBondContact O-N 3.23Å; S1189-W1193 PolarHBondContact O-N 3.49Å |
| 1190 | I | 91.8 | Very high | 90.1 | Very high | 2 Ų | 2 | 39.4 Ų | 39.4 | 1% | 0.01 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -60.8 | -52.3 | 175.1 | -68.7 | -168.9 | 0 | 0 | 0 | 110.9 | R926 Y1186 W1187 I1188 W1193 D1194 Y1242 | R926-I1190 VanDerWaalsContact CZ-CG1 3.45Å; R926-I1190 PolarHBondContact NH1-O 3.41Å; R926-I1190 VanDerWaalsContact NH2-CD1 3.3Å; Y1186-I1190 HydrophobicContact CD1-CD1 3.93Å; Y1186-I1190 HydrophobicContact CE1-CD1 3.36Å; Y1186-I1190 HydrophobicContact CE2-CD1 4Å; Y1186-I1190 HydrophobicContact CG-CD1 4.47Å; Y1186-I1190 VanDerWaalsContact O-CG1 3.28Å; Y1186-I1190 WeakPolarHBondContact O-CG1 3.42Å; Y1186-I1190 PolarHBondContact O-N 3.02Å; W1187-I1190 HydrophobicContact CE3-CD1 4.29Å; W1187-I1190 HydrophobicContact CE3-CG2 4.35Å; W1187-I1190 HydrophobicContact CZ3-CD1 4.41Å; W1187-I1190 WeakPolarHBondContact O-CB 3.28Å; W1187-I1190 PolarHBondContact O-N 2.93Å; I1188-I1190 VanDerWaalsContact C-N 3.3Å; I1188-I1190 PolarHBondContact O-N 3.14Å; I1190-W1193 PolarHBondContact O-N 3.43Å; I1190-D1194 WeakPolarHBondContact O-CB 3.25Å; I1190-D1194 VanDerWaalsContact O-CG 3.29Å; I1190-D1194 PolarHBondContact O-N 2.84Å; I1190-D1194 VanDerWaalsContact O-N 3.08Å; I1190-Y1242 HydrophobicContact CG2-CE1 4.04Å; I1190-Y1242 HydrophobicContact CG2-CE2 3.99Å; I1190-Y1242 WeakPolarHBondContact CG2-OH 3.31Å |
| 1191 | Y | 92.3 | Very high | 90.5 | Very high | 40 Ų | 40 | 39.3 Ų | 39.3 | 16% | 0.157 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -62.2 | -47.8 | -175.2 | -171.4 | -111.1 | 0 | 0 | 0 | 112.1 | W1187 I1188 W1193 D1194 M1195 W1235 L1238 P1239 Y1242 | W1187-Y1191 VanDerWaalsContact O-CB 3.32Å; W1187-Y1191 WeakPolarHBondContact O-CB 3.44Å; W1187-Y1191 PolarHBondContact O-N 2.9Å; I1188-Y1191 PolarHBondContact O-N 3.15Å; Y1191-W1193 PolarHBondContact O-N 3.05Å; Y1191-D1194 PolarHBondContact O-N 2.97Å; Y1191-M1195 HydrophobicContact CD1-CE 4.47Å; Y1191-M1195 HydrophobicContact CD1-CG 4.22Å; Y1191-M1195 HydrophobicContact CD2-CE 4.35Å; Y1191-M1195 HydrophobicContact CE1-CE 3.62Å; Y1191-M1195 HydrophobicContact CE1-CG 4.16Å; Y1191-M1195 HydrophobicContact CE2-CE 3.49Å; Y1191-M1195 VanDerWaalsContact CE2-CE 3.49Å; Y1191-M1195 WeakPolarHBondContact O-CB 3.22Å; Y1191-M1195 WeakPolarHBondContact O-CG 3.35Å; Y1191-M1195 PolarHBondContact O-N 3.06Å; Y1191-M1195 WeakPolarHBondContact OH-CE 3.34Å; Y1191-W1235 HydrophobicContact CE1-CE3 4.22Å; Y1191-W1235 AromaticContact CE1-CZ3 3.9Å; Y1191-W1235 HydrophobicContact CE1-CZ3 3.9Å; Y1191-W1235 AromaticContact CZ-CE3 3.98Å; Y1191-W1235 VanDerWaalsContact OH-CZ3 3.3Å; Y1191-W1235 WeakPolarHBondContact OH-CZ3 3.29Å; Y1191-W1235 PolarHBondContact OH-O 3.05Å; Y1191-L1238 HydrophobicContact CD2-CB 4.32Å; Y1191-L1238 HydrophobicContact CE2-CB 4.04Å; Y1191-L1238 HydrophobicContact CE2-CD1 4.44Å; Y1191-P1239 HydrophobicContact CE2-CG 3.76Å; Y1191-Y1242 HydrophobicContact CD2-CE2 4.1Å |
| 1192 | M | 92.1 | Very high | 90.5 | Very high | 93 Ų | 93 | 39.6 Ų | 39.6 | 46% | 0.458 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -62 | -40.4 | 179.6 | -77.1 | -169.4 | 76.1 | 0 | 0 | 112.9 | F919 M923 I1188 C1196 | F919-M1192 HydrophobicContact CZ-SD 3.89Å; M923-M1192 HydrophobicContact CE-CB 4.22Å; I1188-M1192 HydrophobicContact CG2-CG 4.4Å; I1188-M1192 HydrophobicContact CG2-SD 4.34Å; I1188-M1192 PolarHBondContact O-N 3.14Å; M1192-C1196 PolarHBondContact O-N 3.25Å; M1192-C1196 PolarHBondContact O-SG 3.42Å; M1192-C1196 VanDerWaalsContact O-SG 3.39Å |
| 1193 | W | 92.4 | Very high | 90.7 | Very high | 53 Ų | 53 | 37.6 Ų | 37.6 | 20% | 0.201 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -67.2 | -43.4 | 178.9 | -166.2 | -95.7 | 0 | 0 | 0 | 111.9 | M923 R926 Y927 T930 S1189 I1190 Y1191 M1195 C1196 I1197 | M923-W1193 HydrophobicContact CE-CE3 3.84Å; M923-W1193 HydrophobicContact SD-CB 4.24Å; M923-W1193 HydrophobicContact SD-CE3 3.99Å; R926-W1193 HydrophobicContact CB-CB 4.48Å; R926-W1193 HydrophobicContact CB-CD2 4.03Å; R926-W1193 HydrophobicContact CB-CG 3.85Å; Y927-W1193 VanDerWaalsContact CA-CZ2 3.5Å; Y927-W1193 AromaticContact CD2-CH2 3.7Å; Y927-W1193 HydrophobicContact CD2-CH2 3.7Å; Y927-W1193 HydrophobicContact CD2-CZ2 4.03Å; Y927-W1193 HydrophobicContact CG-CH2 4.13Å; Y927-W1193 HydrophobicContact CG-CZ2 4.48Å; T930-W1193 PolarHBondContact OG1-NE1 2.88Å; S1189-W1193 PolarHBondContact O-N 3.49Å; I1190-W1193 PolarHBondContact O-N 3.43Å; Y1191-W1193 PolarHBondContact O-N 3.05Å; W1193-M1195 VanDerWaalsContact C-N 3.31Å; W1193-M1195 PolarHBondContact O-N 3.23Å; W1193-C1196 PolarHBondContact O-N 3.38Å; W1193-I1197 PolarHBondContact O-N 3Å |
| 1194 | D | 92.7 | Very high | 90.8 | Very high | 8 Ų | 8 | 37.9 Ų | 37.9 | 4% | 0.043 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.7 | -35.9 | 179.7 | -69.1 | -13.9 | 0 | 0 | 0 | 111.1 | R926 F1160 I1190 Y1191 I1197 F1198 L1238 Y1242 | R926-D1194 IonicContact CZ-OD1 2.84Å; R926-D1194 IonicContact NH1-OD1 3.43Å; R926-D1194 PolarHBondContact NH1-OD1 2.88Å; R926-D1194 IonicContact NH1-OD2 3.33Å; R926-D1194 PolarHBondContact NH1-OD2 3.24Å; R926-D1194 VanDerWaalsContact NH1-OD2 3.11Å; F1160-D1194 HydrophobicContact CB-CB 4.43Å; F1160-D1194 HydrophobicContact CD1-CB 3.48Å; F1160-D1194 VanDerWaalsContact CD1-CB 3.48Å; F1160-D1194 VanDerWaalsContact CD1-CG 3.41Å; F1160-D1194 WeakPolarHBondContact CD1-OD1 3.35Å; F1160-D1194 HydrophobicContact CE1-CB 3.95Å; F1160-D1194 HydrophobicContact CG-CB 4.08Å; I1190-D1194 WeakPolarHBondContact O-CB 3.25Å; I1190-D1194 VanDerWaalsContact O-CG 3.29Å; I1190-D1194 PolarHBondContact O-N 2.84Å; I1190-D1194 VanDerWaalsContact O-N 3.08Å; Y1191-D1194 PolarHBondContact O-N 2.97Å; D1194-I1197 PolarHBondContact O-N 3.22Å; D1194-F1198 WeakPolarHBondContact O-CB 3.5Å; D1194-F1198 PolarHBondContact O-N 3.32Å; D1194-L1238 HydrophobicContact CB-CD1 4.12Å; D1194-L1238 HydrophobicContact CB-CD2 4.48Å; D1194-Y1242 WeakPolarHBondContact CB-OH 3.47Å; D1194-Y1242 PolarHBondContact OD2-OH 3.36Å |
| 1195 | M | 91.7 | Very high | 90.8 | Very high | 19 Ų | 19 | 35.6 Ų | 35.6 | 9% | 0.094 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -57.4 | -48.6 | 172.1 | -76.8 | -67.9 | -179.7 | 0 | 0 | 112.7 | Y1191 W1193 I1197 F1198 F1199 M1234 W1235 L1238 | Y1191-M1195 HydrophobicContact CD1-CE 4.47Å; Y1191-M1195 HydrophobicContact CD1-CG 4.22Å; Y1191-M1195 HydrophobicContact CD2-CE 4.35Å; Y1191-M1195 HydrophobicContact CE1-CE 3.62Å; Y1191-M1195 HydrophobicContact CE1-CG 4.16Å; Y1191-M1195 HydrophobicContact CE2-CE 3.49Å; Y1191-M1195 VanDerWaalsContact CE2-CE 3.49Å; Y1191-M1195 WeakPolarHBondContact O-CB 3.22Å; Y1191-M1195 WeakPolarHBondContact O-CG 3.35Å; Y1191-M1195 PolarHBondContact O-N 3.06Å; Y1191-M1195 WeakPolarHBondContact OH-CE 3.34Å; W1193-M1195 VanDerWaalsContact C-N 3.31Å; W1193-M1195 PolarHBondContact O-N 3.23Å; M1195-I1197 VanDerWaalsContact C-N 3.32Å; M1195-I1197 PolarHBondContact O-N 3.27Å; M1195-F1198 PolarHBondContact O-N 3.24Å; M1195-F1199 VanDerWaalsContact O-CD2 3.22Å; M1195-F1199 WeakPolarHBondContact O-CD2 3.32Å; M1195-F1199 PolarHBondContact O-N 3.03Å; M1195-M1234 HydrophobicContact CE-CE 3.83Å; M1195-M1234 HydrophobicContact CE-CG 3.83Å; M1195-M1234 HydrophobicContact CE-SD 4.29Å; M1195-M1234 HydrophobicContact SD-CE 3.14Å; M1195-M1234 WeakPolarHBondContact SD-CE 3.49Å; M1195-M1234 HydrophobicContact SD-CG 3.36Å; M1195-M1234 WeakPolarHBondContact SD-CG 3.27Å; M1195-M1234 HydrophobicContact SD-SD 3.18Å; M1195-W1235 HydrophobicContact CE-CE3 4.45Å; M1195-L1238 HydrophobicContact CE-CD1 3.8Å; M1195-L1238 HydrophobicContact CG-CD1 4.05Å; M1195-L1238 HydrophobicContact SD-CD1 3.77Å |
| 1196 | C | 90.9 | Very high | 90.7 | Very high | 85 Ų | 85 | 35.1 Ų | 35.1 | 57% | 0.574 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -59.8 | -42.7 | 179.7 | -68.7 | 0 | 0 | 0 | 0 | 112.3 | M1192 W1193 L1200 | M1192-C1196 PolarHBondContact O-N 3.25Å; M1192-C1196 PolarHBondContact O-SG 3.42Å; M1192-C1196 VanDerWaalsContact O-SG 3.39Å; W1193-C1196 PolarHBondContact O-N 3.38Å; C1196-L1200 PolarHBondContact O-N 2.76Å |
| 1197 | I | 89.7 | Confident | 90.5 | Very high | 19 Ų | 19 | 40.2 Ų | 40.2 | 10% | 0.097 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -71.2 | -38.6 | 178.9 | -64.4 | 179.3 | 0 | 0 | 0 | 110.9 | T930 F1160 W1193 D1194 M1195 F1199 L1200 S1201 | T930-I1197 HydrophobicContact CG2-CD1 4.02Å; F1160-I1197 HydrophobicContact CE1-CB 3.97Å; F1160-I1197 HydrophobicContact CE1-CG2 3.91Å; F1160-I1197 HydrophobicContact CZ-CB 4.24Å; F1160-I1197 HydrophobicContact CZ-CG2 3.96Å; W1193-I1197 PolarHBondContact O-N 3Å; D1194-I1197 PolarHBondContact O-N 3.22Å; M1195-I1197 VanDerWaalsContact C-N 3.32Å; M1195-I1197 PolarHBondContact O-N 3.27Å; I1197-F1199 PolarHBondContact O-N 3.05Å; I1197-L1200 WeakPolarHBondContact O-CB 3.3Å; I1197-L1200 PolarHBondContact O-N 3.4Å; I1197-S1201 PolarHBondContact O-N 3.4Å; I1197-S1201 VanDerWaalsContact O-N 3.08Å |
| 1198 | F | 91.3 | Very high | 90.3 | Very high | 2 Ų | 2 | 40.2 Ų | 40.2 | 1% | 0.009 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.7 | -44.9 | 177.7 | -166 | -77.4 | 0 | 0 | 0 | 111.7 | L1156 F1160 D1194 M1195 L1200 S1201 V1202 F1233 M1234 V1237 L1238 | L1156-F1198 HydrophobicContact CD2-CD1 4.47Å; L1156-F1198 HydrophobicContact CD2-CD2 3.93Å; L1156-F1198 HydrophobicContact CD2-CE1 4.35Å; L1156-F1198 HydrophobicContact CD2-CE2 3.74Å; L1156-F1198 HydrophobicContact CD2-CG 4.26Å; L1156-F1198 HydrophobicContact CD2-CZ 3.97Å; L1156-F1198 HydrophobicContact CG-CD2 4Å; L1156-F1198 HydrophobicContact CG-CE2 3.9Å; F1160-F1198 HydrophobicContact CD2-CD2 4.14Å; F1160-F1198 HydrophobicContact CE2-CB 4.15Å; F1160-F1198 AromaticContact CE2-CD2 3.47Å; F1160-F1198 HydrophobicContact CE2-CD2 3.47Å; F1160-F1198 VanDerWaalsContact CE2-CD2 3.47Å; F1160-F1198 HydrophobicContact CE2-CE2 4.33Å; F1160-F1198 HydrophobicContact CE2-CG 4.26Å; F1160-F1198 HydrophobicContact CZ-CB 3.98Å; F1160-F1198 HydrophobicContact CZ-CD2 4.17Å; D1194-F1198 WeakPolarHBondContact O-CB 3.5Å; D1194-F1198 PolarHBondContact O-N 3.32Å; M1195-F1198 PolarHBondContact O-N 3.24Å; F1198-L1200 VanDerWaalsContact C-N 3.29Å; F1198-L1200 PolarHBondContact O-N 2.79Å; F1198-S1201 PolarHBondContact O-N 3.36Å; F1198-V1202 HydrophobicContact CD1-CG2 3.66Å; F1198-V1202 HydrophobicContact CE1-CG2 3.32Å; F1198-V1202 HydrophobicContact CZ-CG2 4.13Å; F1198-V1202 PolarHBondContact O-N 3.05Å; F1198-F1233 AromaticContact CZ-CD1 3.91Å; F1198-F1233 HydrophobicContact CZ-CD1 3.91Å; F1198-F1233 AromaticContact CZ-CE1 3.93Å; F1198-F1233 HydrophobicContact CZ-CE1 3.93Å; F1198-M1234 HydrophobicContact CB-CG 4.05Å; F1198-M1234 HydrophobicContact CB-SD 4.05Å; F1198-M1234 HydrophobicContact CD1-CB 3.63Å; F1198-M1234 HydrophobicContact CD1-CG 3.32Å; F1198-M1234 HydrophobicContact CD1-SD 3.62Å; F1198-M1234 HydrophobicContact CD2-CG 4.19Å; F1198-M1234 HydrophobicContact CE1-CB 3.47Å; F1198-M1234 VanDerWaalsContact CE1-CB 3.47Å; F1198-M1234 HydrophobicContact CE1-CG 3.71Å; F1198-M1234 HydrophobicContact CE1-SD 4.39Å; F1198-M1234 HydrophobicContact CG-CB 4.3Å; F1198-M1234 HydrophobicContact CG-CG 3.6Å; F1198-M1234 HydrophobicContact CG-SD 4.07Å; F1198-M1234 HydrophobicContact CZ-CB 4.06Å; F1198-M1234 HydrophobicContact CZ-CG 4.35Å; F1198-V1237 HydrophobicContact CE2-CG1 4.08Å; F1198-V1237 HydrophobicContact CZ-CG1 4.39Å; F1198-L1238 HydrophobicContact CD2-CD2 4.22Å |
| 1199 | F | 91 | Very high | 90 | Very high | 120 Ų | 120 | 36 Ų | 36 | 53% | 0.526 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -60.5 | -37.9 | 175.5 | -81.6 | -60.3 | 0 | 0 | 0 | 112.7 | M1195 I1197 G1203 M1234 | M1195-F1199 VanDerWaalsContact O-CD2 3.22Å; M1195-F1199 WeakPolarHBondContact O-CD2 3.32Å; M1195-F1199 PolarHBondContact O-N 3.03Å; I1197-F1199 PolarHBondContact O-N 3.05Å; F1199-G1203 PolarHBondContact O-N 3.4Å; F1199-M1234 HydrophobicContact CD1-SD 4.09Å; F1199-M1234 HydrophobicContact CD2-CE 4.21Å; F1199-M1234 HydrophobicContact CD2-SD 3.79Å; F1199-M1234 HydrophobicContact CE1-CE 3.75Å; F1199-M1234 HydrophobicContact CE1-SD 3.88Å; F1199-M1234 HydrophobicContact CE2-CE 3.36Å; F1199-M1234 HydrophobicContact CE2-SD 3.57Å; F1199-M1234 VanDerWaalsContact CE2-SD 3.57Å; F1199-M1234 HydrophobicContact CG-SD 4.05Å; F1199-M1234 HydrophobicContact CZ-CE 3.1Å; F1199-M1234 HydrophobicContact CZ-SD 3.64Å |
| 1200 | L | 89.9 | Confident | 89.7 | Confident | 105 Ų | 105 | 40.6 Ų | 40.6 | 55% | 0.55 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -62.2 | -46.3 | 175.5 | -174.3 | 69.7 | 0 | 0 | 0 | 111.4 | I941 C1196 I1197 F1198 G1203 S1204 | I941-L1200 HydrophobicContact CD1-CD2 3.8Å; I941-L1200 HydrophobicContact CD1-CG 4.15Å; C1196-L1200 PolarHBondContact O-N 2.76Å; I1197-L1200 WeakPolarHBondContact O-CB 3.3Å; I1197-L1200 PolarHBondContact O-N 3.4Å; F1198-L1200 VanDerWaalsContact C-N 3.29Å; F1198-L1200 PolarHBondContact O-N 2.79Å; L1200-G1203 PolarHBondContact O-N 3.31Å; L1200-S1204 PolarHBondContact O-N 2.76Å |
| 1201 | S | 89 | Confident | 89.4 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -65.8 | -44.7 | 177.8 | -69.8 | 0 | 0 | 0 | 0 | 112.7 | Q940 L1156 I1197 F1198 G1203 S1204 I1205 | Q940-S1201 WeakPolarHBondContact O-CB 3.28Å; Q940-S1201 PolarHBondContact O-OG 3.27Å; L1156-S1201 WeakPolarHBondContact CD1-OG 3.12Å; I1197-S1201 PolarHBondContact O-N 3.4Å; I1197-S1201 VanDerWaalsContact O-N 3.08Å; F1198-S1201 PolarHBondContact O-N 3.36Å; S1201-G1203 VanDerWaalsContact C-N 3.34Å; S1201-G1203 PolarHBondContact O-N 3.03Å; S1201-S1204 PolarHBondContact O-N 2.88Å; S1201-S1204 PolarHBondContact O-OG 3.38Å; S1201-I1205 PolarHBondContact O-N 3.03Å |
| 1202 | V | 88.2 | Confident | 88.9 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 6% | 0.055 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -66.3 | -37.7 | 176.6 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | L1156 F1198 S1204 I1205 L1206 F1230 | L1156-V1202 HydrophobicContact CD2-CG2 4.23Å; F1198-V1202 HydrophobicContact CD1-CG2 3.66Å; F1198-V1202 HydrophobicContact CE1-CG2 3.32Å; F1198-V1202 HydrophobicContact CZ-CG2 4.13Å; F1198-V1202 PolarHBondContact O-N 3.05Å; V1202-S1204 PolarHBondContact O-N 3.42Å; V1202-I1205 WeakPolarHBondContact O-CB 3.09Å; V1202-I1205 PolarHBondContact O-N 3.36Å; V1202-L1206 HydrophobicContact CG1-CD1 3.91Å; V1202-L1206 HydrophobicContact CG1-CG 4.11Å; V1202-L1206 WeakPolarHBondContact O-CG 3.29Å; V1202-L1206 PolarHBondContact O-N 3.35Å; V1202-F1230 HydrophobicContact CG1-CB 3.74Å; V1202-F1230 HydrophobicContact CG1-CD1 4.12Å; V1202-F1230 HydrophobicContact CG1-CD2 4.3Å; V1202-F1230 HydrophobicContact CG1-CG 3.82Å; V1202-F1230 HydrophobicContact CG2-CD1 4.1Å |
| 1203 | G | 89.5 | Confident | 88.4 | Confident | 36 Ų | 36 | 49.6 Ų | 49.6 | 37% | 0.371 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -54.4 | -38.6 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | F1199 L1200 S1201 L1206 L1207 | F1199-G1203 PolarHBondContact O-N 3.4Å; L1200-G1203 PolarHBondContact O-N 3.31Å; S1201-G1203 VanDerWaalsContact C-N 3.34Å; S1201-G1203 PolarHBondContact O-N 3.03Å; G1203-L1206 PolarHBondContact O-N 3.46Å; G1203-L1207 WeakPolarHBondContact O-CB 3.04Å; G1203-L1207 PolarHBondContact O-N 2.91Å |
| 1204 | S | 87.8 | Confident | 87.6 | Confident | 18 Ų | 18 | 48.1 Ų | 48.1 | 13% | 0.126 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.4 | -33.7 | 175.3 | 71.6 | 0 | 0 | 0 | 0 | 114.2 | L1200 S1201 V1202 C1208 | L1200-S1204 PolarHBondContact O-N 2.76Å; S1201-S1204 PolarHBondContact O-N 2.88Å; S1201-S1204 PolarHBondContact O-OG 3.38Å; V1202-S1204 PolarHBondContact O-N 3.42Å; S1204-C1208 PolarHBondContact O-N 3.1Å; S1204-C1208 VanDerWaalsContact O-N 3.14Å; S1204-C1208 PolarHBondContact O-SG 3.27Å; S1204-C1208 VanDerWaalsContact O-SG 3.39Å |
| 1205 | I | 88 | Confident | 86.8 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.005 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 172.9 | -63.3 | 172 | 0 | 0 | 0 | 110.6 | P944 T948 S1201 V1202 L1207 C1208 F1209 F1230 | P944-I1205 HydrophobicContact CB-CD1 3.84Å; P944-I1205 HydrophobicContact CB-CG1 3.94Å; T948-I1205 HydrophobicContact CG2-CB 4.43Å; T948-I1205 HydrophobicContact CG2-CG1 4.16Å; T948-I1205 HydrophobicContact CG2-CG2 3.76Å; S1201-I1205 PolarHBondContact O-N 3.03Å; V1202-I1205 WeakPolarHBondContact O-CB 3.09Å; V1202-I1205 PolarHBondContact O-N 3.36Å; I1205-L1207 VanDerWaalsContact C-N 3.29Å; I1205-L1207 PolarHBondContact O-N 3.36Å; I1205-C1208 WeakPolarHBondContact O-CB 3.41Å; I1205-C1208 PolarHBondContact O-N 3.42Å; I1205-C1208 VanDerWaalsContact O-N 3.16Å; I1205-F1209 HydrophobicContact CG2-CE2 3.91Å; I1205-F1209 HydrophobicContact CG2-CZ 4.2Å; I1205-F1209 PolarHBondContact O-N 3.4Å; I1205-F1230 HydrophobicContact CG2-CZ 4.39Å |
| 1206 | L | 88.7 | Confident | 86 | Confident | 19 Ų | 19 | 53.2 Ų | 53.2 | 10% | 0.099 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -63.3 | -37.5 | 178.4 | -66.4 | 173.2 | 0 | 0 | 0 | 111.4 | V1202 G1203 C1208 F1209 M1210 F1223 L1226 V1227 F1230 | V1202-L1206 HydrophobicContact CG1-CD1 3.91Å; V1202-L1206 HydrophobicContact CG1-CG 4.11Å; V1202-L1206 WeakPolarHBondContact O-CG 3.29Å; V1202-L1206 PolarHBondContact O-N 3.35Å; G1203-L1206 PolarHBondContact O-N 3.46Å; L1206-C1208 VanDerWaalsContact C-N 3.34Å; L1206-C1208 PolarHBondContact O-N 2.81Å; L1206-F1209 PolarHBondContact O-N 3.48Å; L1206-M1210 PolarHBondContact O-N 3.26Å; L1206-M1210 VanDerWaalsContact O-N 3.1Å; L1206-F1223 HydrophobicContact CB-CE2 4.12Å; L1206-F1223 HydrophobicContact CB-CZ 4.27Å; L1206-F1223 HydrophobicContact CD2-CE2 4.21Å; L1206-L1226 HydrophobicContact CD2-CD2 3.48Å; L1206-L1226 VanDerWaalsContact CD2-CD2 3.48Å; L1206-L1226 HydrophobicContact CD2-CG 4.09Å; L1206-V1227 HydrophobicContact CD1-CG2 3.81Å; L1206-V1227 HydrophobicContact CD2-CG2 4.48Å; L1206-F1230 HydrophobicContact CD2-CD2 4.28Å; L1206-F1230 HydrophobicContact CD2-CE2 4.47Å |
| 1207 | L | 88.1 | Confident | 85.5 | Confident | 108 Ų | 108 | 49.3 Ų | 49.3 | 57% | 0.565 | 26% | 0.26 | S | S | * | . | H | α-helix | trans | -61 | -42.1 | 173.4 | -175.9 | 67.4 | 0 | 0 | 0 | 111.4 | G1203 I1205 F1209 M1210 V1211 | G1203-L1207 WeakPolarHBondContact O-CB 3.04Å; G1203-L1207 PolarHBondContact O-N 2.91Å; I1205-L1207 VanDerWaalsContact C-N 3.29Å; I1205-L1207 PolarHBondContact O-N 3.36Å; L1207-F1209 VanDerWaalsContact C-N 3.32Å; L1207-F1209 PolarHBondContact O-N 2.89Å; L1207-M1210 PolarHBondContact O-N 3.18Å; L1207-V1211 HydrophobicContact CD1-CG2 4.31Å; L1207-V1211 HydrophobicContact CG-CG2 4.22Å; L1207-V1211 VanDerWaalsContact O-CG2 3.29Å; L1207-V1211 WeakPolarHBondContact O-CG2 3.39Å; L1207-V1211 PolarHBondContact O-N 3.16Å |
| 1208 | C | 86.9 | Confident | 84.8 | Confident | 15 Ų | 15 | 49.2 Ų | 49.2 | 10% | 0.101 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -56.8 | -45.5 | 173.9 | -69.6 | 0 | 0 | 0 | 0 | 111.5 | S1204 I1205 L1206 M1210 V1211 F1212 | S1204-C1208 PolarHBondContact O-N 3.1Å; S1204-C1208 VanDerWaalsContact O-N 3.14Å; S1204-C1208 PolarHBondContact O-SG 3.27Å; S1204-C1208 VanDerWaalsContact O-SG 3.39Å; I1205-C1208 WeakPolarHBondContact O-CB 3.41Å; I1205-C1208 PolarHBondContact O-N 3.42Å; I1205-C1208 VanDerWaalsContact O-N 3.16Å; L1206-C1208 VanDerWaalsContact C-N 3.34Å; L1206-C1208 PolarHBondContact O-N 2.81Å; C1208-M1210 VanDerWaalsContact C-N 3.31Å; C1208-M1210 PolarHBondContact O-N 2.99Å; C1208-V1211 PolarHBondContact O-N 3.14Å; C1208-F1212 VanDerWaalsContact O-CD2 3.31Å; C1208-F1212 WeakPolarHBondContact O-CD2 3.43Å; C1208-F1212 PolarHBondContact O-N 3.27Å; C1208-F1212 VanDerWaalsContact O-N 3.09Å |
| 1209 | F | 85.8 | Confident | 84 | Confident | 1 Ų | 1 | 53.3 Ų | 53.3 | 0% | 0.004 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -63.6 | -35.9 | 178.4 | -64.1 | -34.2 | 0 | 0 | 0 | 113.4 | L952 I1149 I1205 L1206 L1207 N1213 L1214 A1218 L1226 | L952-F1209 HydrophobicContact CD1-CD1 4.24Å; L952-F1209 HydrophobicContact CD1-CE1 4.49Å; L952-F1209 HydrophobicContact CD2-CD1 4.13Å; L952-F1209 HydrophobicContact CD2-CE1 4.02Å; L952-F1209 HydrophobicContact CG-CE1 4.47Å; I1149-F1209 HydrophobicContact CD1-CE1 4.39Å; I1149-F1209 HydrophobicContact CD1-CZ 3.61Å; I1149-F1209 HydrophobicContact CG1-CZ 4.24Å; I1205-F1209 HydrophobicContact CG2-CE2 3.91Å; I1205-F1209 HydrophobicContact CG2-CZ 4.2Å; I1205-F1209 PolarHBondContact O-N 3.4Å; L1206-F1209 PolarHBondContact O-N 3.48Å; L1207-F1209 VanDerWaalsContact C-N 3.32Å; L1207-F1209 PolarHBondContact O-N 2.89Å; F1209-N1213 PolarHBondContact O-N 2.68Å; F1209-L1214 HydrophobicContact CB-CD1 4.33Å; F1209-L1214 HydrophobicContact CD1-CD1 3.55Å; F1209-L1214 HydrophobicContact CE1-CD1 4.3Å; F1209-L1214 HydrophobicContact CG-CD1 4.3Å; F1209-L1214 PolarHBondContact O-N 2.88Å; F1209-A1218 WeakPolarHBondContact O-CB 3.34Å; F1209-L1226 HydrophobicContact CD2-CD2 3.65Å; F1209-L1226 HydrophobicContact CE2-CD2 3.9Å |
| 1210 | M | 85 | Confident | 83.4 | Confident | 99 Ų | 99 | 50.3 Ų | 50.3 | 49% | 0.488 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -66.7 | -46.1 | 172.2 | -83.9 | -148.7 | -171.1 | 0 | 0 | 112.6 | L1206 L1207 C1208 F1212 N1213 F1223 | L1206-M1210 PolarHBondContact O-N 3.26Å; L1206-M1210 VanDerWaalsContact O-N 3.1Å; L1207-M1210 PolarHBondContact O-N 3.18Å; C1208-M1210 VanDerWaalsContact C-N 3.31Å; C1208-M1210 PolarHBondContact O-N 2.99Å; M1210-F1212 VanDerWaalsContact C-N 3.32Å; M1210-F1212 PolarHBondContact O-N 2.83Å; M1210-N1213 WeakPolarHBondContact O-CA 3.35Å; M1210-N1213 PolarHBondContact O-N 2.98Å; M1210-F1223 HydrophobicContact CE-CD1 4.29Å; M1210-F1223 HydrophobicContact CE-CD2 4.32Å; M1210-F1223 HydrophobicContact CE-CE1 3.89Å; M1210-F1223 HydrophobicContact CE-CE2 3.93Å; M1210-F1223 HydrophobicContact CE-CG 4.49Å; M1210-F1223 HydrophobicContact CE-CZ 3.7Å; M1210-F1223 HydrophobicContact CG-CE2 4.27Å |
| 1211 | V | 86.2 | Confident | 82.9 | Confident | 103 Ų | 103 | 53.1 Ų | 53.1 | 62% | 0.624 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -62.2 | -39.6 | -176.5 | 169.5 | 0 | 0 | 0 | 0 | 111.7 | L1207 C1208 N1213 | L1207-V1211 HydrophobicContact CD1-CG2 4.31Å; L1207-V1211 HydrophobicContact CG-CG2 4.22Å; L1207-V1211 VanDerWaalsContact O-CG2 3.29Å; L1207-V1211 WeakPolarHBondContact O-CG2 3.39Å; L1207-V1211 PolarHBondContact O-N 3.16Å; C1208-V1211 PolarHBondContact O-N 3.14Å; V1211-N1213 PolarHBondContact O-N 3.45Å |
| 1212 | F | 82.6 | Confident | 82.7 | Confident | 113 Ų | 113 | 55.9 Ų | 55.9 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.9 | 1.8 | 176.7 | -75.7 | -90.2 | 0 | 0 | 0 | 113.8 | L949 L952 C1208 M1210 L1214 | L949-F1212 HydrophobicContact CD2-CD2 4.41Å; L949-F1212 HydrophobicContact CD2-CE2 3.29Å; L949-F1212 HydrophobicContact CD2-CZ 3.57Å; L952-F1212 HydrophobicContact CD1-CB 4.14Å; L952-F1212 HydrophobicContact CD1-CD2 3.57Å; L952-F1212 HydrophobicContact CD1-CE2 4.13Å; L952-F1212 HydrophobicContact CD1-CG 3.84Å; C1208-F1212 VanDerWaalsContact O-CD2 3.31Å; C1208-F1212 WeakPolarHBondContact O-CD2 3.43Å; C1208-F1212 PolarHBondContact O-N 3.27Å; C1208-F1212 VanDerWaalsContact O-N 3.09Å; M1210-F1212 VanDerWaalsContact C-N 3.32Å; M1210-F1212 PolarHBondContact O-N 2.83Å; F1212-L1214 VanDerWaalsContact C-N 3.34Å; F1212-L1214 HydrophobicContact CB-CG 4.23Å; F1212-L1214 PolarHBondContact O-N 3.06Å |
| 1213 | N | 81.1 | Confident | 82.6 | Confident | 108 Ų | 108 | 57.3 Ų | 57.3 | 58% | 0.578 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 46.3 | 51 | 178 | -162.2 | 25.4 | 0 | 0 | 0 | 113.9 | F1209 M1210 V1211 E1215 | F1209-N1213 PolarHBondContact O-N 2.68Å; M1210-N1213 WeakPolarHBondContact O-CA 3.35Å; M1210-N1213 PolarHBondContact O-N 2.98Å; V1211-N1213 PolarHBondContact O-N 3.45Å; N1213-E1215 PolarHBondContact O-N 3.37Å |
| 1214 | L | 74.6 | Confident | 82.5 | Confident | 22 Ų | 22 | 61.3 Ų | 61.3 | 12% | 0.115 | 32% | 0.321 | C | S | . | . | trans | -76.6 | 108.4 | -178.4 | -62.1 | 163.5 | 0 | 0 | 0 | 110.3 | L952 F955 F1209 F1212 Q1216 F1217 A1218 | L952-L1214 HydrophobicContact CD1-CD1 4.28Å; L952-L1214 HydrophobicContact CD2-CD1 3.25Å; L952-L1214 HydrophobicContact CD2-CD2 4.26Å; L952-L1214 HydrophobicContact CD2-CG 4.32Å; L952-L1214 HydrophobicContact CG-CD1 4.39Å; F955-L1214 HydrophobicContact CD1-CD2 4.33Å; F955-L1214 HydrophobicContact CE1-CD2 4.06Å; F1209-L1214 HydrophobicContact CB-CD1 4.33Å; F1209-L1214 HydrophobicContact CD1-CD1 3.55Å; F1209-L1214 HydrophobicContact CE1-CD1 4.3Å; F1209-L1214 HydrophobicContact CG-CD1 4.3Å; F1209-L1214 PolarHBondContact O-N 2.88Å; F1212-L1214 VanDerWaalsContact C-N 3.34Å; F1212-L1214 HydrophobicContact CB-CG 4.23Å; F1212-L1214 PolarHBondContact O-N 3.06Å; L1214-Q1216 PolarHBondContact O-N 3.37Å; L1214-F1217 HydrophobicContact CB-CD2 4.33Å; L1214-F1217 HydrophobicContact CD1-CD2 4.33Å; L1214-F1217 PolarHBondContact O-N 3.02Å; L1214-A1218 WeakPolarHBondContact O-CB 3.42Å; L1214-A1218 PolarHBondContact O-N 2.74Å | ||
| 1215 | E | 75.9 | Confident | 82.5 | Confident | 111 Ų | 111 | 61.5 Ų | 61.5 | 52% | 0.519 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.5 | -25.6 | 179.3 | -62 | -178 | 164.3 | 0 | 0 | 114.2 | N1213 L1219 R1222 Y1314 | N1213-E1215 PolarHBondContact O-N 3.37Å; E1215-L1219 HydrophobicContact CB-CD1 4.38Å; E1215-L1219 HydrophobicContact CG-CD1 4.14Å; E1215-R1222 PolarHBondContact O-NH1 3.03Å; E1215-Y1314 WeakPolarHBondContact CB-OH 3.41Å; E1215-Y1314 PolarHBondContact OE2-OH 3.33Å; E1215-Y1314 VanDerWaalsContact OE2-OH 3.11Å |
| 1216 | Q | 75.3 | Confident | 82.6 | Confident | 23 Ų | 23 | 61.5 Ų | 61.5 | 11% | 0.107 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.7 | -32.7 | 178.3 | -66.6 | 138.6 | 36.2 | 0 | 0 | 113.7 | L1214 R1222 F1311 Y1314 | L1214-Q1216 PolarHBondContact O-N 3.37Å; Q1216-R1222 WeakPolarHBondContact O-CD 3.46Å; Q1216-F1311 HydrophobicContact CG-CD2 4.44Å; Q1216-Y1314 HydrophobicContact CB-CD1 4.24Å; Q1216-Y1314 HydrophobicContact CB-CG 4.23Å; Q1216-Y1314 HydrophobicContact CG-CD1 3.23Å; Q1216-Y1314 HydrophobicContact CG-CD2 4.35Å; Q1216-Y1314 HydrophobicContact CG-CE1 3.49Å; Q1216-Y1314 VanDerWaalsContact CG-CE1 3.49Å; Q1216-Y1314 HydrophobicContact CG-CG 3.7Å |
| 1217 | F | 80.5 | Confident | 82.7 | Confident | 4 Ų | 4 | 63.5 Ų | 63.5 | 2% | 0.018 | 33% | 0.334 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -27.7 | -168 | -57.1 | -70.6 | 0 | 0 | 0 | 114.3 | L1145 L1214 F1223 L1226 I1307 L1310 F1311 | L1145-F1217 HydrophobicContact CD2-CE2 3.51Å; L1145-F1217 HydrophobicContact CD2-CZ 3.62Å; L1214-F1217 HydrophobicContact CB-CD2 4.33Å; L1214-F1217 HydrophobicContact CD1-CD2 4.33Å; L1214-F1217 PolarHBondContact O-N 3.02Å; F1217-F1223 WeakPolarHBondContact O-CA 3.34Å; F1217-L1226 HydrophobicContact CB-CD2 4.41Å; F1217-L1226 HydrophobicContact CD1-CD1 4.28Å; F1217-I1307 HydrophobicContact CE1-CG2 4.17Å; F1217-I1307 HydrophobicContact CZ-CG2 4.3Å; F1217-L1310 HydrophobicContact CE1-CB 4.44Å; F1217-F1311 HydrophobicContact CZ-CB 4.06Å; F1217-F1311 HydrophobicContact CZ-CD2 4.48Å |
| 1218 | A | 75.4 | Confident | 82.9 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 13% | 0.132 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -93.7 | -15.6 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | F1209 L1214 | F1209-A1218 WeakPolarHBondContact O-CB 3.34Å; L1214-A1218 WeakPolarHBondContact O-CB 3.42Å; L1214-A1218 PolarHBondContact O-N 2.74Å |
| 1219 | L | 74 | Confident | 83.1 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 46% | 0.461 | 32% | 0.321 | S | S | . | . | S | Bend | trans | -108.8 | 133.4 | -172 | -84.8 | 131.4 | 0 | 0 | 0 | 113.1 | E1215 | E1215-L1219 HydrophobicContact CB-CD1 4.38Å; E1215-L1219 HydrophobicContact CG-CD1 4.14Å |
| 1220 | G | 78.1 | Confident | 83.5 | Confident | 57 Ų | 57 | 61.6 Ų | 61.6 | 59% | 0.588 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.4 | -141.9 | 169.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | R1222 H1224 | G1220-R1222 VanDerWaalsContact C-N 3.25Å; G1220-R1222 PolarHBondContact O-N 2.88Å; G1220-H1224 PolarHBondContact O-ND1 3.27Å |
| 1221 | E | 81.1 | Confident | 83.8 | Confident | 164 Ų | 164 | 57.9 Ų | 57.9 | 77% | 0.766 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -66.8 | -24.1 | -179.9 | -65.3 | -170.8 | 161.3 | 0 | 0 | 113.2 | F1223 H1224 N1225 | E1221-F1223 VanDerWaalsContact C-N 3.31Å; E1221-F1223 PolarHBondContact O-N 3.22Å; E1221-H1224 WeakPolarHBondContact O-CB 3.49Å; E1221-H1224 PolarHBondContact O-N 3.4Å; E1221-N1225 PolarHBondContact O-N 2.94Å |
| 1222 | R | 83 | Confident | 84.2 | Confident | 58 Ų | 58 | 54.8 Ų | 54.8 | 22% | 0.219 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63.1 | -36.5 | -177.3 | -54 | -167.7 | -179.2 | 121.9 | 2.2 | 113.2 | E1215 Q1216 G1220 H1224 N1225 L1226 Y1314 E1353 | E1215-R1222 PolarHBondContact O-NH1 3.03Å; Q1216-R1222 WeakPolarHBondContact O-CD 3.46Å; G1220-R1222 VanDerWaalsContact C-N 3.25Å; G1220-R1222 PolarHBondContact O-N 2.88Å; R1222-H1224 VanDerWaalsContact C-N 3.27Å; R1222-H1224 PolarHBondContact O-N 2.81Å; R1222-N1225 PolarHBondContact O-N 3.34Å; R1222-L1226 PolarHBondContact O-N 2.68Å; R1222-Y1314 VanDerWaalsContact CZ-CD2 3.49Å; R1222-Y1314 VanDerWaalsContact NH1-CD2 3.29Å; R1222-E1353 WeakPolarHBondContact CD-OE1 3.37Å; R1222-E1353 WeakPolarHBondContact CG-OE1 3.21Å; R1222-E1353 IonicContact NE-OE1 3.23Å; R1222-E1353 PolarHBondContact NE-OE1 2.84Å; R1222-E1353 VanDerWaalsContact NE-OE1 3.11Å |
| 1223 | F | 87.2 | Confident | 84.7 | Confident | 39 Ų | 39 | 49.5 Ų | 49.5 | 17% | 0.171 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -60.3 | -42.3 | 175.6 | -177.6 | -102.5 | 0 | 0 | 0 | 110.6 | L1206 M1210 F1217 E1221 N1225 L1226 V1227 | L1206-F1223 HydrophobicContact CB-CE2 4.12Å; L1206-F1223 HydrophobicContact CB-CZ 4.27Å; L1206-F1223 HydrophobicContact CD2-CE2 4.21Å; M1210-F1223 HydrophobicContact CE-CD1 4.29Å; M1210-F1223 HydrophobicContact CE-CD2 4.32Å; M1210-F1223 HydrophobicContact CE-CE1 3.89Å; M1210-F1223 HydrophobicContact CE-CE2 3.93Å; M1210-F1223 HydrophobicContact CE-CG 4.49Å; M1210-F1223 HydrophobicContact CE-CZ 3.7Å; M1210-F1223 HydrophobicContact CG-CE2 4.27Å; F1217-F1223 WeakPolarHBondContact O-CA 3.34Å; E1221-F1223 VanDerWaalsContact C-N 3.31Å; E1221-F1223 PolarHBondContact O-N 3.22Å; F1223-N1225 PolarHBondContact O-N 2.92Å; F1223-L1226 WeakPolarHBondContact O-CB 3.46Å; F1223-L1226 PolarHBondContact O-N 2.8Å; F1223-V1227 HydrophobicContact CD1-CG2 4.15Å; F1223-V1227 HydrophobicContact CE1-CG2 3.78Å; F1223-V1227 HydrophobicContact CZ-CG2 4.02Å; F1223-V1227 WeakPolarHBondContact O-CG2 3.38Å; F1223-V1227 PolarHBondContact O-N 2.77Å |
| 1224 | H | 87.8 | Confident | 85.3 | Confident | 120 Ų | 120 | 44.9 Ų | 44.9 | 56% | 0.556 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -63.2 | -42.6 | 177.6 | -60.6 | 91.1 | 0 | 0 | 0 | 111.7 | G1220 E1221 R1222 L1226 V1227 I1228 | G1220-H1224 PolarHBondContact O-ND1 3.27Å; E1221-H1224 WeakPolarHBondContact O-CB 3.49Å; E1221-H1224 PolarHBondContact O-N 3.4Å; R1222-H1224 VanDerWaalsContact C-N 3.27Å; R1222-H1224 PolarHBondContact O-N 2.81Å; H1224-L1226 VanDerWaalsContact C-N 3.29Å; H1224-L1226 PolarHBondContact O-N 3.16Å; H1224-V1227 PolarHBondContact O-N 3.47Å; H1224-I1228 WeakPolarHBondContact O-CG1 3.39Å; H1224-I1228 PolarHBondContact O-N 3.29Å |
| 1225 | N | 87.8 | Confident | 86.1 | Confident | 22 Ų | 22 | 48.1 Ų | 48.1 | 12% | 0.118 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.5 | -41.2 | 175.6 | -66 | -21.2 | 0 | 0 | 0 | 111.7 | E1221 R1222 F1223 I1228 L1229 E1353 | E1221-N1225 PolarHBondContact O-N 2.94Å; R1222-N1225 PolarHBondContact O-N 3.34Å; F1223-N1225 PolarHBondContact O-N 2.92Å; N1225-I1228 PolarHBondContact O-N 2.8Å; N1225-L1229 WeakPolarHBondContact O-CB 3.38Å; N1225-L1229 PolarHBondContact O-N 3.39Å; N1225-E1353 PolarHBondContact ND2-OE2 2.73Å |
| 1226 | L | 89 | Confident | 87 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.1 | -42.3 | 176.4 | -165.5 | 78.3 | 0 | 0 | 0 | 112.1 | L1206 F1209 F1217 R1222 F1223 H1224 L1229 F1230 I1307 L1310 | L1206-L1226 HydrophobicContact CD2-CD2 3.48Å; L1206-L1226 VanDerWaalsContact CD2-CD2 3.48Å; L1206-L1226 HydrophobicContact CD2-CG 4.09Å; F1209-L1226 HydrophobicContact CD2-CD2 3.65Å; F1209-L1226 HydrophobicContact CE2-CD2 3.9Å; F1217-L1226 HydrophobicContact CB-CD2 4.41Å; F1217-L1226 HydrophobicContact CD1-CD1 4.28Å; R1222-L1226 PolarHBondContact O-N 2.68Å; F1223-L1226 WeakPolarHBondContact O-CB 3.46Å; F1223-L1226 PolarHBondContact O-N 2.8Å; H1224-L1226 VanDerWaalsContact C-N 3.29Å; H1224-L1226 PolarHBondContact O-N 3.16Å; L1226-L1229 PolarHBondContact O-N 3.19Å; L1226-F1230 HydrophobicContact CD1-CE2 4.15Å; L1226-F1230 HydrophobicContact CD2-CE2 4.36Å; L1226-F1230 HydrophobicContact CG-CD2 4.09Å; L1226-F1230 HydrophobicContact CG-CE2 4Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.29Å; L1226-F1230 PolarHBondContact O-N 3.09Å; L1226-I1307 HydrophobicContact CD1-CG1 4.17Å; L1226-L1310 HydrophobicContact CD1-CD1 4.38Å |
| 1227 | V | 90.8 | Very high | 87.9 | Confident | 62 Ų | 62 | 41.8 Ų | 41.8 | 38% | 0.376 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.7 | -44.8 | 176.1 | 176.9 | 0 | 0 | 0 | 0 | 111.3 | L1206 F1223 H1224 L1229 F1230 G1231 | L1206-V1227 HydrophobicContact CD1-CG2 3.81Å; L1206-V1227 HydrophobicContact CD2-CG2 4.48Å; F1223-V1227 HydrophobicContact CD1-CG2 4.15Å; F1223-V1227 HydrophobicContact CE1-CG2 3.78Å; F1223-V1227 HydrophobicContact CZ-CG2 4.02Å; F1223-V1227 WeakPolarHBondContact O-CG2 3.38Å; F1223-V1227 PolarHBondContact O-N 2.77Å; H1224-V1227 PolarHBondContact O-N 3.47Å; V1227-L1229 VanDerWaalsContact C-N 3.33Å; V1227-L1229 PolarHBondContact O-N 3.17Å; V1227-F1230 PolarHBondContact O-N 3.38Å; V1227-G1231 PolarHBondContact O-N 3.43Å |
| 1228 | I | 92.5 | Very high | 88.5 | Confident | 78 Ų | 78 | 41.6 Ų | 41.6 | 40% | 0.4 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 178.1 | -66.5 | 167.3 | 0 | 0 | 0 | 110.4 | H1224 N1225 G1231 L1232 L1365 | H1224-I1228 WeakPolarHBondContact O-CG1 3.39Å; H1224-I1228 PolarHBondContact O-N 3.29Å; N1225-I1228 PolarHBondContact O-N 2.8Å; I1228-G1231 PolarHBondContact O-N 3.35Å; I1228-L1232 HydrophobicContact CG2-CD1 4.27Å; I1228-L1232 PolarHBondContact O-N 3.32Å; I1228-L1365 HydrophobicContact CG2-CD1 4.41Å; I1228-L1365 HydrophobicContact CG2-CD2 4.13Å |
| 1229 | L | 92.4 | Very high | 89.3 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -60.3 | -48.7 | 178.4 | -176.5 | 65.4 | 0 | 0 | 0 | 112 | N1225 L1226 V1227 F1233 L1303 I1307 V1361 L1365 L1368 | N1225-L1229 WeakPolarHBondContact O-CB 3.38Å; N1225-L1229 PolarHBondContact O-N 3.39Å; L1226-L1229 PolarHBondContact O-N 3.19Å; V1227-L1229 VanDerWaalsContact C-N 3.33Å; V1227-L1229 PolarHBondContact O-N 3.17Å; L1229-F1233 VanDerWaalsContact O-CB 3.31Å; L1229-F1233 WeakPolarHBondContact O-CB 3.28Å; L1229-F1233 PolarHBondContact O-N 3.28Å; L1229-L1303 HydrophobicContact CD2-CD1 4.13Å; L1229-L1303 HydrophobicContact CG-CD1 4.01Å; L1229-I1307 HydrophobicContact CD2-CG1 3.97Å; L1229-V1361 HydrophobicContact CD1-CG1 4.1Å; L1229-L1365 HydrophobicContact CB-CD2 4.23Å; L1229-L1365 HydrophobicContact CD1-CD2 3.79Å; L1229-L1368 HydrophobicContact CD1-CD1 4.04Å |
| 1230 | F | 92.5 | Very high | 90.2 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.8 | -37 | 176.7 | -84.6 | -73 | 0 | 0 | 0 | 112.8 | I1149 V1202 I1205 L1206 L1226 V1227 F1233 M1234 L1303 I1307 | I1149-F1230 HydrophobicContact CG2-CE1 4.43Å; I1149-F1230 HydrophobicContact CG2-CZ 3.91Å; V1202-F1230 HydrophobicContact CG1-CB 3.74Å; V1202-F1230 HydrophobicContact CG1-CD1 4.12Å; V1202-F1230 HydrophobicContact CG1-CD2 4.3Å; V1202-F1230 HydrophobicContact CG1-CG 3.82Å; V1202-F1230 HydrophobicContact CG2-CD1 4.1Å; I1205-F1230 HydrophobicContact CG2-CZ 4.39Å; L1206-F1230 HydrophobicContact CD2-CD2 4.28Å; L1206-F1230 HydrophobicContact CD2-CE2 4.47Å; L1226-F1230 HydrophobicContact CD1-CE2 4.15Å; L1226-F1230 HydrophobicContact CD2-CE2 4.36Å; L1226-F1230 HydrophobicContact CG-CD2 4.09Å; L1226-F1230 HydrophobicContact CG-CE2 4Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.29Å; L1226-F1230 PolarHBondContact O-N 3.09Å; V1227-F1230 PolarHBondContact O-N 3.38Å; F1230-F1233 PolarHBondContact O-N 3.05Å; F1230-M1234 WeakPolarHBondContact O-CB 3.41Å; F1230-M1234 PolarHBondContact O-N 2.83Å; F1230-L1303 HydrophobicContact CD1-CD1 3.89Å; F1230-L1303 HydrophobicContact CD1-CD2 4.38Å; F1230-L1303 HydrophobicContact CE1-CD1 3.85Å; F1230-L1303 HydrophobicContact CE1-CD2 3.94Å; F1230-L1303 HydrophobicContact CE1-CG 4.46Å; F1230-L1303 HydrophobicContact CG-CD1 4.33Å; F1230-L1303 HydrophobicContact CZ-CD1 4.24Å; F1230-I1307 HydrophobicContact CE2-CD1 4.27Å; F1230-I1307 HydrophobicContact CZ-CD1 3.97Å |
| 1231 | G | 92 | Very high | 90.9 | Very high | 22 Ų | 22 | 35 Ų | 35 | 23% | 0.227 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -64.1 | -43.7 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | V1227 I1228 M1234 W1235 | V1227-G1231 PolarHBondContact O-N 3.43Å; I1228-G1231 PolarHBondContact O-N 3.35Å; G1231-M1234 WeakPolarHBondContact O-CB 3.27Å; G1231-M1234 PolarHBondContact O-N 3.02Å; G1231-W1235 PolarHBondContact O-N 3.43Å |
| 1232 | L | 93.9 | Very high | 91.5 | Very high | 38 Ų | 38 | 27.4 Ų | 27.4 | 20% | 0.199 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -73.2 | -32.8 | 174.9 | -70 | 179.6 | 0 | 0 | 0 | 112.4 | I1228 M1234 W1235 A1236 L1365 L1368 L1369 | I1228-L1232 HydrophobicContact CG2-CD1 4.27Å; I1228-L1232 PolarHBondContact O-N 3.32Å; L1232-M1234 VanDerWaalsContact C-N 3.32Å; L1232-M1234 PolarHBondContact O-N 2.88Å; L1232-W1235 WeakPolarHBondContact O-CB 3.49Å; L1232-W1235 PolarHBondContact O-N 3.33Å; L1232-A1236 PolarHBondContact O-N 3.36Å; L1232-A1236 VanDerWaalsContact O-N 3.14Å; L1232-L1365 HydrophobicContact CD1-CB 3.97Å; L1232-L1365 HydrophobicContact CD1-CD2 3.97Å; L1232-L1368 HydrophobicContact CB-CB 3.97Å; L1232-L1368 HydrophobicContact CB-CD1 4.22Å; L1232-L1369 HydrophobicContact CD2-CB 4.49Å; L1232-L1369 HydrophobicContact CD2-CD1 4.06Å; L1232-L1369 HydrophobicContact CD2-CG 4.22Å |
| 1233 | F | 94.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.8 | -44 | 172.1 | 172.1 | -107.3 | 0 | 0 | 0 | 111.5 | A1153 F1198 L1229 F1230 W1235 A1236 V1237 P1299 L1303 L1368 | A1153-F1233 HydrophobicContact CB-CE1 3.9Å; A1153-F1233 HydrophobicContact CB-CZ 4.25Å; F1198-F1233 AromaticContact CZ-CD1 3.91Å; F1198-F1233 HydrophobicContact CZ-CD1 3.91Å; F1198-F1233 AromaticContact CZ-CE1 3.93Å; F1198-F1233 HydrophobicContact CZ-CE1 3.93Å; L1229-F1233 VanDerWaalsContact O-CB 3.31Å; L1229-F1233 WeakPolarHBondContact O-CB 3.28Å; L1229-F1233 PolarHBondContact O-N 3.28Å; F1230-F1233 PolarHBondContact O-N 3.05Å; F1233-W1235 PolarHBondContact O-N 3.47Å; F1233-A1236 PolarHBondContact O-N 3.12Å; F1233-V1237 HydrophobicContact CD1-CG1 4.27Å; F1233-V1237 HydrophobicContact CD2-CB 4.3Å; F1233-V1237 HydrophobicContact CE1-CB 4.22Å; F1233-V1237 HydrophobicContact CE1-CG1 3.88Å; F1233-V1237 HydrophobicContact CE1-CG2 4.4Å; F1233-V1237 HydrophobicContact CE2-CB 3.84Å; F1233-V1237 HydrophobicContact CE2-CG1 4.4Å; F1233-V1237 HydrophobicContact CE2-CG2 3.84Å; F1233-V1237 HydrophobicContact CZ-CB 3.81Å; F1233-V1237 HydrophobicContact CZ-CG1 3.96Å; F1233-V1237 HydrophobicContact CZ-CG2 3.65Å; F1233-V1237 VanDerWaalsContact O-CB 3.32Å; F1233-V1237 WeakPolarHBondContact O-CB 3.42Å; F1233-V1237 WeakPolarHBondContact O-CG1 3.42Å; F1233-V1237 PolarHBondContact O-N 3.3Å; F1233-P1299 HydrophobicContact CD2-CB 4.31Å; F1233-P1299 WeakPolarHBondContact CD2-O 3.24Å; F1233-P1299 HydrophobicContact CE2-CB 4.27Å; F1233-L1303 HydrophobicContact CB-CD1 4.3Å; F1233-L1303 HydrophobicContact CD1-CD2 3.8Å; F1233-L1303 HydrophobicContact CD2-CB 3.84Å; F1233-L1303 HydrophobicContact CD2-CD2 4.25Å; F1233-L1303 HydrophobicContact CE1-CD2 3.79Å; F1233-L1303 HydrophobicContact CE2-CB 4.18Å; F1233-L1303 HydrophobicContact CE2-CD2 4.25Å; F1233-L1303 HydrophobicContact CG-CB 4.14Å; F1233-L1303 HydrophobicContact CG-CD1 4.34Å; F1233-L1303 HydrophobicContact CG-CD2 4.02Å; F1233-L1303 HydrophobicContact CG-CG 4.4Å; F1233-L1303 HydrophobicContact CZ-CD2 4.02Å; F1233-L1368 HydrophobicContact CB-CD1 4.31Å; F1233-L1368 HydrophobicContact CD2-CD2 4.4Å |
| 1234 | M | 92.7 | Very high | 92 | Very high | 11 Ų | 11 | 26.7 Ų | 26.7 | 5% | 0.054 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -58.4 | -45.4 | 175.1 | -179.3 | -167.2 | 65.4 | 0 | 0 | 112.4 | M1195 F1198 F1199 F1230 G1231 L1232 A1236 L1238 | M1195-M1234 HydrophobicContact CE-CE 3.83Å; M1195-M1234 HydrophobicContact CE-CG 3.83Å; M1195-M1234 HydrophobicContact CE-SD 4.29Å; M1195-M1234 HydrophobicContact SD-CE 3.14Å; M1195-M1234 WeakPolarHBondContact SD-CE 3.49Å; M1195-M1234 HydrophobicContact SD-CG 3.36Å; M1195-M1234 WeakPolarHBondContact SD-CG 3.27Å; M1195-M1234 HydrophobicContact SD-SD 3.18Å; F1198-M1234 HydrophobicContact CB-CG 4.05Å; F1198-M1234 HydrophobicContact CB-SD 4.05Å; F1198-M1234 HydrophobicContact CD1-CB 3.63Å; F1198-M1234 HydrophobicContact CD1-CG 3.32Å; F1198-M1234 HydrophobicContact CD1-SD 3.62Å; F1198-M1234 HydrophobicContact CD2-CG 4.19Å; F1198-M1234 HydrophobicContact CE1-CB 3.47Å; F1198-M1234 VanDerWaalsContact CE1-CB 3.47Å; F1198-M1234 HydrophobicContact CE1-CG 3.71Å; F1198-M1234 HydrophobicContact CE1-SD 4.39Å; F1198-M1234 HydrophobicContact CG-CB 4.3Å; F1198-M1234 HydrophobicContact CG-CG 3.6Å; F1198-M1234 HydrophobicContact CG-SD 4.07Å; F1198-M1234 HydrophobicContact CZ-CB 4.06Å; F1198-M1234 HydrophobicContact CZ-CG 4.35Å; F1199-M1234 HydrophobicContact CD1-SD 4.09Å; F1199-M1234 HydrophobicContact CD2-CE 4.21Å; F1199-M1234 HydrophobicContact CD2-SD 3.79Å; F1199-M1234 HydrophobicContact CE1-CE 3.75Å; F1199-M1234 HydrophobicContact CE1-SD 3.88Å; F1199-M1234 HydrophobicContact CE2-CE 3.36Å; F1199-M1234 HydrophobicContact CE2-SD 3.57Å; F1199-M1234 VanDerWaalsContact CE2-SD 3.57Å; F1199-M1234 HydrophobicContact CG-SD 4.05Å; F1199-M1234 HydrophobicContact CZ-CE 3.1Å; F1199-M1234 HydrophobicContact CZ-SD 3.64Å; F1230-M1234 WeakPolarHBondContact O-CB 3.41Å; F1230-M1234 PolarHBondContact O-N 2.83Å; G1231-M1234 WeakPolarHBondContact O-CB 3.27Å; G1231-M1234 PolarHBondContact O-N 3.02Å; L1232-M1234 VanDerWaalsContact C-N 3.32Å; L1232-M1234 PolarHBondContact O-N 2.88Å; M1234-A1236 VanDerWaalsContact C-N 3.27Å; M1234-A1236 PolarHBondContact O-N 3.06Å; M1234-L1238 HydrophobicContact CG-CD1 4.24Å; M1234-L1238 PolarHBondContact O-N 3.5Å |
| 1235 | W | 93 | Very high | 92 | Very high | 91 Ų | 91 | 21.2 Ų | 21.2 | 35% | 0.345 | 11% | 0.111 | S | C | . | . | H | α-helix | trans | -57 | -39.4 | 176.6 | 177.1 | -103.9 | 0 | 0 | 0 | 112.4 | Y1191 M1195 G1231 L1232 F1233 P1239 F1373 | Y1191-W1235 HydrophobicContact CE1-CE3 4.22Å; Y1191-W1235 AromaticContact CE1-CZ3 3.9Å; Y1191-W1235 HydrophobicContact CE1-CZ3 3.9Å; Y1191-W1235 AromaticContact CZ-CE3 3.98Å; Y1191-W1235 VanDerWaalsContact OH-CZ3 3.3Å; Y1191-W1235 WeakPolarHBondContact OH-CZ3 3.29Å; Y1191-W1235 PolarHBondContact OH-O 3.05Å; M1195-W1235 HydrophobicContact CE-CE3 4.45Å; G1231-W1235 PolarHBondContact O-N 3.43Å; L1232-W1235 WeakPolarHBondContact O-CB 3.49Å; L1232-W1235 PolarHBondContact O-N 3.33Å; F1233-W1235 PolarHBondContact O-N 3.47Å; W1235-P1239 VanDerWaalsContact O-CD 3.29Å; W1235-P1239 WeakPolarHBondContact O-CD 3.08Å; W1235-F1373 HydrophobicContact CZ2-CD2 4.35Å |
| 1236 | A | 94.2 | Very high | 91.8 | Very high | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -82.1 | -41.9 | -179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1232 F1233 M1234 P1239 P1299 L1368 H1371 | L1232-A1236 PolarHBondContact O-N 3.36Å; L1232-A1236 VanDerWaalsContact O-N 3.14Å; F1233-A1236 PolarHBondContact O-N 3.12Å; M1234-A1236 VanDerWaalsContact C-N 3.27Å; M1234-A1236 PolarHBondContact O-N 3.06Å; A1236-P1239 WeakPolarHBondContact O-CD 3.3Å; A1236-P1299 HydrophobicContact CB-CB 4.07Å; A1236-P1299 HydrophobicContact CB-CG 4.19Å; A1236-L1368 HydrophobicContact CB-CD2 3.89Å; A1236-L1368 WeakPolarHBondContact CB-O 3.19Å; A1236-H1371 HydrophobicContact CB-CB 3.86Å |
| 1237 | V | 93.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -78.9 | -35.4 | -166.8 | 81.2 | 0 | 0 | 0 | 0 | 112.7 | A1157 F1198 F1233 Q1240 T1241 | A1157-V1237 HydrophobicContact CB-CB 4.46Å; A1157-V1237 HydrophobicContact CB-CG1 4.03Å; A1157-V1237 HydrophobicContact CB-CG2 3.56Å; F1198-V1237 HydrophobicContact CE2-CG1 4.08Å; F1198-V1237 HydrophobicContact CZ-CG1 4.39Å; F1233-V1237 HydrophobicContact CD1-CG1 4.27Å; F1233-V1237 HydrophobicContact CD2-CB 4.3Å; F1233-V1237 HydrophobicContact CE1-CB 4.22Å; F1233-V1237 HydrophobicContact CE1-CG1 3.88Å; F1233-V1237 HydrophobicContact CE1-CG2 4.4Å; F1233-V1237 HydrophobicContact CE2-CB 3.84Å; F1233-V1237 HydrophobicContact CE2-CG1 4.4Å; F1233-V1237 HydrophobicContact CE2-CG2 3.84Å; F1233-V1237 HydrophobicContact CZ-CB 3.81Å; F1233-V1237 HydrophobicContact CZ-CG1 3.96Å; F1233-V1237 HydrophobicContact CZ-CG2 3.65Å; F1233-V1237 VanDerWaalsContact O-CB 3.32Å; F1233-V1237 WeakPolarHBondContact O-CB 3.42Å; F1233-V1237 WeakPolarHBondContact O-CG1 3.42Å; F1233-V1237 PolarHBondContact O-N 3.3Å; V1237-Q1240 WeakPolarHBondContact O-CB 3.45Å; V1237-Q1240 PolarHBondContact O-N 3.13Å; V1237-T1241 WeakPolarHBondContact O-CB 3.39Å; V1237-T1241 PolarHBondContact O-N 3.12Å; V1237-T1241 PolarHBondContact O-OG1 3.06Å |
| 1238 | L | 93.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.6 | -50.3 | -178.5 | -68.7 | -179.3 | 0 | 0 | 0 | 112.2 | F1160 Y1191 D1194 M1195 F1198 M1234 Q1240 T1241 Y1242 | F1160-L1238 HydrophobicContact CB-CD2 3.69Å; F1160-L1238 HydrophobicContact CD1-CD2 4.44Å; F1160-L1238 HydrophobicContact CD2-CD2 3.35Å; F1160-L1238 HydrophobicContact CE2-CD2 4.11Å; F1160-L1238 HydrophobicContact CG-CD2 3.55Å; Y1191-L1238 HydrophobicContact CD2-CB 4.32Å; Y1191-L1238 HydrophobicContact CE2-CB 4.04Å; Y1191-L1238 HydrophobicContact CE2-CD1 4.44Å; D1194-L1238 HydrophobicContact CB-CD1 4.12Å; D1194-L1238 HydrophobicContact CB-CD2 4.48Å; M1195-L1238 HydrophobicContact CE-CD1 3.8Å; M1195-L1238 HydrophobicContact CG-CD1 4.05Å; M1195-L1238 HydrophobicContact SD-CD1 3.77Å; F1198-L1238 HydrophobicContact CD2-CD2 4.22Å; M1234-L1238 HydrophobicContact CG-CD1 4.24Å; M1234-L1238 PolarHBondContact O-N 3.5Å; L1238-Q1240 VanDerWaalsContact C-N 3.33Å; L1238-Q1240 PolarHBondContact O-N 3.15Å; L1238-T1241 WeakPolarHBondContact O-CB 3.37Å; L1238-T1241 PolarHBondContact O-N 2.89Å; L1238-T1241 VanDerWaalsContact O-N 3.15Å; L1238-Y1242 WeakPolarHBondContact O-CD2 3.48Å; L1238-Y1242 PolarHBondContact O-N 3.42Å; L1238-Y1242 VanDerWaalsContact O-N 3.08Å |
| 1239 | P | 93.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.013 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | 177.6 | -18.2 | 32.3 | 0 | 0 | 0 | 112.9 | Y1191 W1235 A1236 T1241 Y1242 L1243 S1376 V1379 | Y1191-P1239 HydrophobicContact CE2-CG 3.76Å; W1235-P1239 VanDerWaalsContact O-CD 3.29Å; W1235-P1239 WeakPolarHBondContact O-CD 3.08Å; A1236-P1239 WeakPolarHBondContact O-CD 3.3Å; P1239-T1241 VanDerWaalsContact C-N 3.31Å; P1239-T1241 PolarHBondContact O-N 2.73Å; P1239-Y1242 PolarHBondContact O-N 3Å; P1239-L1243 PolarHBondContact O-N 3.49Å; P1239-L1243 VanDerWaalsContact O-N 3.13Å; P1239-S1376 VanDerWaalsContact CG-OG 3.23Å; P1239-S1376 WeakPolarHBondContact CG-OG 3.48Å; P1239-V1379 HydrophobicContact CB-CG2 4.3Å; P1239-V1379 WeakPolarHBondContact O-CG2 3.41Å |
| 1240 | Q | 93.2 | Very high | 89.6 | Confident | 22 Ų | 22 | 38.2 Ų | 38.2 | 10% | 0.103 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -45.1 | 172.9 | -175.8 | -167.1 | 0.5 | 0 | 0 | 110.9 | V1237 L1238 Y1242 L1243 L1244 P1299 Y1375 | V1237-Q1240 WeakPolarHBondContact O-CB 3.45Å; V1237-Q1240 PolarHBondContact O-N 3.13Å; L1238-Q1240 VanDerWaalsContact C-N 3.33Å; L1238-Q1240 PolarHBondContact O-N 3.15Å; Q1240-Y1242 VanDerWaalsContact C-N 3.32Å; Q1240-Y1242 PolarHBondContact O-N 2.94Å; Q1240-L1243 WeakPolarHBondContact O-CB 3.42Å; Q1240-L1243 PolarHBondContact O-N 3.38Å; Q1240-L1244 HydrophobicContact CG-CD1 4.26Å; Q1240-L1244 WeakPolarHBondContact O-CG 3.46Å; Q1240-L1244 PolarHBondContact O-N 2.65Å; Q1240-P1299 VanDerWaalsContact OE1-CG 3.26Å; Q1240-Y1375 HydrophobicContact CB-CD2 3.79Å; Q1240-Y1375 HydrophobicContact CB-CE2 3.99Å; Q1240-Y1375 HydrophobicContact CB-CG 4.2Å; Q1240-Y1375 HydrophobicContact CG-CD2 4.41Å; Q1240-Y1375 HydrophobicContact CG-CE2 4.16Å |
| 1241 | T | 93 | Very high | 88.9 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -40.8 | 179.8 | -46.4 | 0 | 0 | 0 | 0 | 110.9 | A1157 V1237 L1238 P1239 L1243 L1244 S1245 I1258 | A1157-T1241 WeakPolarHBondContact O-CG2 3.42Å; V1237-T1241 WeakPolarHBondContact O-CB 3.39Å; V1237-T1241 PolarHBondContact O-N 3.12Å; V1237-T1241 PolarHBondContact O-OG1 3.06Å; L1238-T1241 WeakPolarHBondContact O-CB 3.37Å; L1238-T1241 PolarHBondContact O-N 2.89Å; L1238-T1241 VanDerWaalsContact O-N 3.15Å; P1239-T1241 VanDerWaalsContact C-N 3.31Å; P1239-T1241 PolarHBondContact O-N 2.73Å; T1241-L1243 VanDerWaalsContact C-N 3.33Å; T1241-L1243 PolarHBondContact O-N 3.02Å; T1241-L1244 PolarHBondContact O-N 3.01Å; T1241-S1245 VanDerWaalsContact O-CB 3.3Å; T1241-S1245 WeakPolarHBondContact O-CB 3.38Å; T1241-S1245 PolarHBondContact O-N 3.42Å; T1241-I1258 HydrophobicContact CG2-CD1 4.26Å; T1241-I1258 HydrophobicContact CG2-CG2 3.93Å |
| 1242 | Y | 92.9 | Very high | 88.1 | Confident | 4 Ų | 4 | 39.9 Ų | 39.9 | 2% | 0.016 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.9 | -33.1 | 176.2 | -56.9 | -26.7 | 0 | 0 | 0 | 113.5 | F1160 P1164 W1187 I1190 Y1191 D1194 L1238 P1239 Q1240 S1245 | F1160-Y1242 HydrophobicContact CB-CE1 4.38Å; P1164-Y1242 HydrophobicContact CG-CD1 3.96Å; P1164-Y1242 HydrophobicContact CG-CE1 4.22Å; W1187-Y1242 HydrophobicContact CE3-CD2 4.04Å; W1187-Y1242 HydrophobicContact CE3-CE2 4.47Å; W1187-Y1242 HydrophobicContact CE3-CG 4.49Å; W1187-Y1242 HydrophobicContact CZ3-CD1 4.4Å; W1187-Y1242 AromaticContact CZ3-CD2 3.75Å; W1187-Y1242 HydrophobicContact CZ3-CD2 3.75Å; W1187-Y1242 HydrophobicContact CZ3-CE2 4.43Å; W1187-Y1242 AromaticContact CZ3-CG 3.74Å; W1187-Y1242 HydrophobicContact CZ3-CG 3.74Å; I1190-Y1242 HydrophobicContact CG2-CE1 4.04Å; I1190-Y1242 HydrophobicContact CG2-CE2 3.99Å; I1190-Y1242 WeakPolarHBondContact CG2-OH 3.31Å; Y1191-Y1242 HydrophobicContact CD2-CE2 4.1Å; D1194-Y1242 WeakPolarHBondContact CB-OH 3.47Å; D1194-Y1242 PolarHBondContact OD2-OH 3.36Å; L1238-Y1242 WeakPolarHBondContact O-CD2 3.48Å; L1238-Y1242 PolarHBondContact O-N 3.42Å; L1238-Y1242 VanDerWaalsContact O-N 3.08Å; P1239-Y1242 PolarHBondContact O-N 3Å; Q1240-Y1242 VanDerWaalsContact C-N 3.32Å; Q1240-Y1242 PolarHBondContact O-N 2.94Å; Y1242-S1245 PolarHBondContact O-OG 3.43Å; Y1242-S1245 VanDerWaalsContact O-OG 3.06Å |
| 1243 | L | 90.6 | Very high | 87.1 | Confident | 48 Ų | 48 | 39.3 Ų | 39.3 | 25% | 0.251 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -67.6 | -47.8 | 173 | -80.6 | 154.5 | 0 | 0 | 0 | 111.1 | P1239 Q1240 T1241 S1245 R1246 Y1375 F1378 V1379 | P1239-L1243 PolarHBondContact O-N 3.49Å; P1239-L1243 VanDerWaalsContact O-N 3.13Å; Q1240-L1243 WeakPolarHBondContact O-CB 3.42Å; Q1240-L1243 PolarHBondContact O-N 3.38Å; T1241-L1243 VanDerWaalsContact C-N 3.33Å; T1241-L1243 PolarHBondContact O-N 3.02Å; L1243-S1245 VanDerWaalsContact C-N 3.31Å; L1243-S1245 PolarHBondContact O-N 3.22Å; L1243-R1246 PolarHBondContact O-N 3.36Å; L1243-Y1375 HydrophobicContact CD1-CD1 3.95Å; L1243-Y1375 HydrophobicContact CD1-CG 4.37Å; L1243-F1378 HydrophobicContact CD1-CB 3.83Å; L1243-F1378 HydrophobicContact CD2-CB 4.03Å; L1243-V1379 HydrophobicContact CD1-CG2 4.04Å; L1243-V1379 HydrophobicContact CD2-CG2 4.42Å; L1243-V1379 HydrophobicContact CG-CG2 3.73Å |
| 1244 | L | 89.7 | Confident | 86.5 | Confident | 33 Ų | 33 | 39.2 Ų | 39.2 | 17% | 0.173 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.6 | -35.7 | 179 | -69.8 | 172.8 | 0 | 0 | 0 | 112.2 | Q1240 T1241 R1246 L1247 F1248 I1258 | Q1240-L1244 HydrophobicContact CG-CD1 4.26Å; Q1240-L1244 WeakPolarHBondContact O-CG 3.46Å; Q1240-L1244 PolarHBondContact O-N 2.65Å; T1241-L1244 PolarHBondContact O-N 3.01Å; L1244-R1246 PolarHBondContact O-N 3.33Å; L1244-R1246 VanDerWaalsContact O-N 3.14Å; L1244-L1247 HydrophobicContact CD2-CD1 4.24Å; L1244-L1247 WeakPolarHBondContact O-CB 3.35Å; L1244-L1247 PolarHBondContact O-N 3.3Å; L1244-F1248 WeakPolarHBondContact O-CD2 3.26Å; L1244-F1248 WeakPolarHBondContact O-CE2 3.43Å; L1244-I1258 HydrophobicContact CB-CD1 4.19Å; L1244-I1258 HydrophobicContact CB-CG1 4.08Å; L1244-I1258 HydrophobicContact CD1-CG2 4.28Å |
| 1245 | S | 88.9 | Confident | 86.1 | Confident | 5 Ų | 5 | 40 Ų | 40 | 4% | 0.035 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -60.4 | -27.9 | -178.3 | 86.9 | 0 | 0 | 0 | 0 | 112.5 | V1165 T1241 Y1242 L1243 L1247 F1248 | V1165-S1245 VanDerWaalsContact CG2-O 3.24Å; V1165-S1245 WeakPolarHBondContact CG2-O 3.43Å; T1241-S1245 VanDerWaalsContact O-CB 3.3Å; T1241-S1245 WeakPolarHBondContact O-CB 3.38Å; T1241-S1245 PolarHBondContact O-N 3.42Å; Y1242-S1245 PolarHBondContact O-OG 3.43Å; Y1242-S1245 VanDerWaalsContact O-OG 3.06Å; L1243-S1245 VanDerWaalsContact C-N 3.31Å; L1243-S1245 PolarHBondContact O-N 3.22Å; S1245-L1247 PolarHBondContact O-N 2.76Å; S1245-F1248 PolarHBondContact O-N 2.94Å |
| 1246 | R | 83.8 | Confident | 85.5 | Confident | 85 Ų | 85 | 38.6 Ų | 38.6 | 32% | 0.321 | 19% | 0.188 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.5 | -19 | 176.5 | -63.8 | -165.7 | 177.3 | 111.1 | -12.5 | 114.5 | L1243 L1244 F1248 V1379 S1382 D1383 | L1243-R1246 PolarHBondContact O-N 3.36Å; L1244-R1246 PolarHBondContact O-N 3.33Å; L1244-R1246 VanDerWaalsContact O-N 3.14Å; R1246-F1248 PolarHBondContact O-N 2.98Å; R1246-V1379 PolarHBondContact NH2-O 3.25Å; R1246-S1382 PolarHBondContact NH1-OG 2.86Å; R1246-S1382 PolarHBondContact NH2-OG 3.47Å; R1246-D1383 IonicContact CZ-OD1 3.39Å; R1246-D1383 IonicContact NE-OD1 2.84Å; R1246-D1383 PolarHBondContact NE-OD1 3.2Å; R1246-D1383 IonicContact NH2-OD1 3.79Å; R1246-D1383 PolarHBondContact NH2-OD1 2.88Å; R1246-D1383 IonicContact NH2-OD2 2.91Å; R1246-D1383 PolarHBondContact NH2-OD2 2.93Å |
| 1247 | L | 83.9 | Confident | 84.9 | Confident | 130 Ų | 130 | 46.1 Ų | 46.1 | 68% | 0.681 | 22% | 0.216 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -74.3 | -15.9 | 178.2 | -63.4 | 170.3 | 0 | 0 | 0 | 112.3 | L1244 S1245 | L1244-L1247 HydrophobicContact CD2-CD1 4.24Å; L1244-L1247 WeakPolarHBondContact O-CB 3.35Å; L1244-L1247 PolarHBondContact O-N 3.3Å; S1245-L1247 PolarHBondContact O-N 2.76Å |
| 1248 | F | 80.3 | Confident | 84.7 | Confident | 41 Ų | 41 | 46.1 Ų | 46.1 | 18% | 0.18 | 22% | 0.216 | C | C | . | . | trans | -108 | 139.4 | -170.9 | -57.7 | -76.7 | 0 | 0 | 0 | 112.9 | L1244 S1245 R1246 W1257 I1258 I1261 | L1244-F1248 WeakPolarHBondContact O-CD2 3.26Å; L1244-F1248 WeakPolarHBondContact O-CE2 3.43Å; S1245-F1248 PolarHBondContact O-N 2.94Å; R1246-F1248 PolarHBondContact O-N 2.98Å; F1248-W1257 HydrophobicContact CD1-CB 4.36Å; F1248-W1257 HydrophobicContact CE1-CB 3.37Å; F1248-W1257 AromaticContact CE1-CG 3.82Å; F1248-W1257 HydrophobicContact CE1-CG 3.82Å; F1248-W1257 HydrophobicContact CE2-CB 4.43Å; F1248-W1257 HydrophobicContact CZ-CB 3.42Å; F1248-W1257 VanDerWaalsContact CZ-CB 3.42Å; F1248-W1257 HydrophobicContact CZ-CG 4.31Å; F1248-I1258 HydrophobicContact CD2-CD1 4.22Å; F1248-I1258 HydrophobicContact CD2-CG1 4.21Å; F1248-I1258 HydrophobicContact CE2-CD1 4.08Å; F1248-I1258 HydrophobicContact CE2-CG1 3.6Å; F1248-I1258 HydrophobicContact CZ-CG1 4.38Å; F1248-I1261 HydrophobicContact CZ-CD1 4.48Å | ||
| 1249 | R | 76.5 | Confident | 84.4 | Confident | 234 Ų | 234 | 47.5 Ų | 47.5 | 88% | 0.883 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -97.7 | -3.2 | 176.1 | -68.8 | -174.1 | -179.4 | 178.4 | 0.9 | 114 | V1169 | V1169-R1249 WeakPolarHBondContact CG2-O 3.4Š|
| 1250 | S | 76.1 | Confident | 84 | Confident | 31 Ų | 31 | 48.4 Ų | 48.4 | 22% | 0.217 | 23% | 0.233 | C | C | . | . | S | Bend | trans | -133.9 | 139.1 | 173.7 | 94.3 | 0 | 0 | 0 | 0 | 109.8 | S1253 G1254 | S1250-S1253 PolarHBondContact O-OG 2.93Å; S1250-S1253 WeakPolarHBondContact OG-CB 3.3Å; S1250-S1253 PolarHBondContact OG-N 3.44Å; S1250-S1253 PolarHBondContact OG-OG 3.25Å; S1250-G1254 PolarHBondContact O-N 3.48Å |
| 1251 | P | 78.3 | Confident | 83.7 | Confident | 22 Ų | 22 | 50.3 Ų | 50.3 | 14% | 0.143 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -70.1 | -37.6 | -171.9 | 27.8 | -35.1 | 0 | 0 | 0 | 112.2 | F1162 V1165 Y1166 G1254 L1255 | F1162-P1251 HydrophobicContact CD2-CB 3.79Å; F1162-P1251 HydrophobicContact CE1-CB 4.45Å; F1162-P1251 HydrophobicContact CE2-CB 3.7Å; F1162-P1251 HydrophobicContact CE2-CG 4.13Å; F1162-P1251 HydrophobicContact CG-CB 4.22Å; F1162-P1251 HydrophobicContact CZ-CB 4.05Å; F1162-P1251 HydrophobicContact CZ-CG 4.26Å; V1165-P1251 HydrophobicContact CB-CB 4.2Å; V1165-P1251 HydrophobicContact CG1-CB 4.08Å; Y1166-P1251 HydrophobicContact CD2-CG 4.4Å; P1251-G1254 PolarHBondContact O-N 3Å; P1251-L1255 PolarHBondContact O-N 3.21Å |
| 1252 | T | 74.5 | Confident | 83.6 | Confident | 40 Ų | 40 | 50.3 Ų | 50.3 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -71.6 | -37.7 | 178.2 | 50.1 | 0 | 0 | 0 | 0 | 112.2 | T338 F1162 G1254 L1255 V1256 | T338-T1252 HydrophobicContact CG2-CG2 3.47Å; T338-T1252 VanDerWaalsContact CG2-CG2 3.47Å; F1162-T1252 HydrophobicContact CE2-CG2 4.05Å; T1252-G1254 VanDerWaalsContact C-N 3.28Å; T1252-G1254 PolarHBondContact O-N 3.4Å; T1252-L1255 WeakPolarHBondContact O-CB 3.42Å; T1252-L1255 PolarHBondContact O-N 2.98Å; T1252-V1256 PolarHBondContact O-N 3.47Å |
| 1253 | S | 74.7 | Confident | 83.4 | Confident | 25 Ų | 25 | 50.5 Ų | 50.5 | 18% | 0.175 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -64.8 | -37.1 | 171.2 | 69.9 | 0 | 0 | 0 | 0 | 111.6 | S1250 V1256 W1257 | S1250-S1253 PolarHBondContact O-OG 2.93Å; S1250-S1253 WeakPolarHBondContact OG-CB 3.3Å; S1250-S1253 PolarHBondContact OG-N 3.44Å; S1250-S1253 PolarHBondContact OG-OG 3.25Å; S1253-V1256 PolarHBondContact O-N 2.82Å; S1253-W1257 WeakPolarHBondContact O-CB 3.43Å; S1253-W1257 PolarHBondContact O-N 3.43Å |
| 1254 | G | 80.5 | Confident | 83.2 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59 | -47.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | S1250 P1251 T1252 V1256 I1258 | S1250-G1254 PolarHBondContact O-N 3.48Å; P1251-G1254 PolarHBondContact O-N 3Å; T1252-G1254 VanDerWaalsContact C-N 3.28Å; T1252-G1254 PolarHBondContact O-N 3.4Å; G1254-V1256 PolarHBondContact O-N 2.92Å; G1254-I1258 VanDerWaalsContact O-CB 3.23Å; G1254-I1258 WeakPolarHBondContact O-CB 3.24Å; G1254-I1258 WeakPolarHBondContact O-CD1 3.19Å; G1254-I1258 WeakPolarHBondContact O-CG1 3.43Å; G1254-I1258 PolarHBondContact O-N 2.62Å |
| 1255 | L | 85.1 | Confident | 83.1 | Confident | 28 Ų | 28 | 55.1 Ų | 55.1 | 15% | 0.147 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -51.6 | -59.1 | 174.4 | -173.7 | 77.6 | 0 | 0 | 0 | 111.3 | S1158 C1159 P1251 T1252 W1257 I1258 T1259 | S1158-L1255 WeakPolarHBondContact CB-O 3.32Å; S1158-L1255 WeakPolarHBondContact OG-CD1 3.26Å; C1159-L1255 HydrophobicContact CB-CD1 4.27Å; P1251-L1255 PolarHBondContact O-N 3.21Å; T1252-L1255 WeakPolarHBondContact O-CB 3.42Å; T1252-L1255 PolarHBondContact O-N 2.98Å; L1255-W1257 PolarHBondContact O-N 3.3Å; L1255-I1258 PolarHBondContact O-N 3.21Å; L1255-T1259 WeakPolarHBondContact O-CG2 3.39Å; L1255-T1259 PolarHBondContact O-N 2.89Å; L1255-T1259 PolarHBondContact O-OG1 3.01Å |
| 1256 | V | 79.3 | Confident | 83.2 | Confident | 61 Ų | 61 | 54.9 Ų | 54.9 | 37% | 0.37 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -62.8 | -48.9 | -175 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | A341 T1252 S1253 G1254 I1258 T1259 A1260 | A341-V1256 HydrophobicContact CB-CG2 3.81Å; T1252-V1256 PolarHBondContact O-N 3.47Å; S1253-V1256 PolarHBondContact O-N 2.82Å; G1254-V1256 PolarHBondContact O-N 2.92Å; V1256-I1258 PolarHBondContact O-N 3.46Å; V1256-T1259 PolarHBondContact O-N 3.32Å; V1256-T1259 PolarHBondContact O-OG1 3.16Å; V1256-A1260 WeakPolarHBondContact O-CB 3.25Å; V1256-A1260 PolarHBondContact O-N 3.23Å |
| 1257 | W | 82.4 | Confident | 83.4 | Confident | 157 Ų | 157 | 51.7 Ų | 51.7 | 60% | 0.595 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -71.4 | -33.2 | -176.6 | -80 | 103.7 | 0 | 0 | 0 | 113.2 | F1248 S1253 L1255 A1260 I1261 | F1248-W1257 HydrophobicContact CD1-CB 4.36Å; F1248-W1257 HydrophobicContact CE1-CB 3.37Å; F1248-W1257 AromaticContact CE1-CG 3.82Å; F1248-W1257 HydrophobicContact CE1-CG 3.82Å; F1248-W1257 HydrophobicContact CE2-CB 4.43Å; F1248-W1257 HydrophobicContact CZ-CB 3.42Å; F1248-W1257 VanDerWaalsContact CZ-CB 3.42Å; F1248-W1257 HydrophobicContact CZ-CG 4.31Å; S1253-W1257 WeakPolarHBondContact O-CB 3.43Å; S1253-W1257 PolarHBondContact O-N 3.43Å; L1255-W1257 PolarHBondContact O-N 3.3Å; W1257-A1260 PolarHBondContact O-N 3.13Å; W1257-I1261 WeakPolarHBondContact O-CB 3.41Å; W1257-I1261 WeakPolarHBondContact O-CD1 3.04Å; W1257-I1261 VanDerWaalsContact O-CG1 3.23Å; W1257-I1261 WeakPolarHBondContact O-CG1 3.46Å; W1257-I1261 PolarHBondContact O-N 3.39Å |
| 1258 | I | 88 | Confident | 83.5 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -68.3 | -42.3 | 174.9 | -64.7 | 168.7 | 0 | 0 | 0 | 110.2 | T1241 L1244 F1248 G1254 L1255 V1256 A1260 I1261 N1262 | T1241-I1258 HydrophobicContact CG2-CD1 4.26Å; T1241-I1258 HydrophobicContact CG2-CG2 3.93Å; L1244-I1258 HydrophobicContact CB-CD1 4.19Å; L1244-I1258 HydrophobicContact CB-CG1 4.08Å; L1244-I1258 HydrophobicContact CD1-CG2 4.28Å; F1248-I1258 HydrophobicContact CD2-CD1 4.22Å; F1248-I1258 HydrophobicContact CD2-CG1 4.21Å; F1248-I1258 HydrophobicContact CE2-CD1 4.08Å; F1248-I1258 HydrophobicContact CE2-CG1 3.6Å; F1248-I1258 HydrophobicContact CZ-CG1 4.38Å; G1254-I1258 VanDerWaalsContact O-CB 3.23Å; G1254-I1258 WeakPolarHBondContact O-CB 3.24Å; G1254-I1258 WeakPolarHBondContact O-CD1 3.19Å; G1254-I1258 WeakPolarHBondContact O-CG1 3.43Å; G1254-I1258 PolarHBondContact O-N 2.62Å; L1255-I1258 PolarHBondContact O-N 3.21Å; V1256-I1258 PolarHBondContact O-N 3.46Å; I1258-A1260 VanDerWaalsContact C-N 3.32Å; I1258-A1260 PolarHBondContact O-N 3.04Å; I1258-I1261 PolarHBondContact O-N 3.39Å; I1258-N1262 WeakPolarHBondContact O-CB 3.47Å; I1258-N1262 PolarHBondContact O-N 3.38Å |
| 1259 | T | 87.6 | Confident | 83.8 | Confident | 29 Ų | 29 | 47.8 Ų | 47.8 | 18% | 0.178 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -56.6 | -47.9 | 171.4 | 57.1 | 0 | 0 | 0 | 0 | 111.7 | Y1155 S1158 L1255 V1256 I1261 N1262 V1263 | Y1155-T1259 HydrophobicContact CD2-CG2 4.2Å; S1158-T1259 WeakPolarHBondContact OG-CG2 3.33Å; L1255-T1259 WeakPolarHBondContact O-CG2 3.39Å; L1255-T1259 PolarHBondContact O-N 2.89Å; L1255-T1259 PolarHBondContact O-OG1 3.01Å; V1256-T1259 PolarHBondContact O-N 3.32Å; V1256-T1259 PolarHBondContact O-OG1 3.16Å; T1259-I1261 PolarHBondContact O-N 3.07Å; T1259-N1262 PolarHBondContact O-N 3.46Å; T1259-V1263 WeakPolarHBondContact O-CB 3.44Å; T1259-V1263 VanDerWaalsContact O-CG2 3.26Å; T1259-V1263 WeakPolarHBondContact O-CG2 3.29Å; T1259-V1263 PolarHBondContact O-N 2.92Å |
| 1260 | A | 84.6 | Confident | 84.4 | Confident | 21 Ų | 21 | 36.9 Ų | 36.9 | 17% | 0.174 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61.7 | -46.8 | -178.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | V1256 W1257 I1258 N1262 V1263 F1264 | V1256-A1260 WeakPolarHBondContact O-CB 3.25Å; V1256-A1260 PolarHBondContact O-N 3.23Å; W1257-A1260 PolarHBondContact O-N 3.13Å; I1258-A1260 VanDerWaalsContact C-N 3.32Å; I1258-A1260 PolarHBondContact O-N 3.04Å; A1260-N1262 PolarHBondContact O-N 3.44Å; A1260-V1263 PolarHBondContact O-N 3.22Å; A1260-F1264 HydrophobicContact CB-CD2 4.04Å; A1260-F1264 HydrophobicContact CB-CE2 4.08Å; A1260-F1264 VanDerWaalsContact O-CB 3.28Å; A1260-F1264 WeakPolarHBondContact O-CB 3.43Å; A1260-F1264 WeakPolarHBondContact O-CD2 3.29Å; A1260-F1264 PolarHBondContact O-N 2.88Å |
| 1261 | I | 87.4 | Confident | 84.8 | Confident | 62 Ų | 62 | 39.1 Ų | 39.1 | 32% | 0.318 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -59.9 | -47.4 | 178.9 | -71.2 | 164.9 | 0 | 0 | 0 | 110.6 | F1248 W1257 I1258 T1259 T1265 | F1248-I1261 HydrophobicContact CZ-CD1 4.48Å; W1257-I1261 WeakPolarHBondContact O-CB 3.41Å; W1257-I1261 WeakPolarHBondContact O-CD1 3.04Å; W1257-I1261 VanDerWaalsContact O-CG1 3.23Å; W1257-I1261 WeakPolarHBondContact O-CG1 3.46Å; W1257-I1261 PolarHBondContact O-N 3.39Å; I1258-I1261 PolarHBondContact O-N 3.39Å; T1259-I1261 PolarHBondContact O-N 3.07Å; I1261-T1265 HydrophobicContact CG2-CG2 4.46Å; I1261-T1265 WeakPolarHBondContact O-CB 3.43Å; I1261-T1265 VanDerWaalsContact O-CG2 3.27Å; I1261-T1265 WeakPolarHBondContact O-CG2 3.47Å; I1261-T1265 PolarHBondContact O-N 2.75Å; I1261-T1265 PolarHBondContact O-OG1 3.15Å |
| 1262 | N | 90.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -64.5 | -45.1 | 180 | -74.5 | -7.3 | 0 | 0 | 0 | 111.9 | I1258 T1259 A1260 T1265 A1266 | I1258-N1262 WeakPolarHBondContact O-CB 3.47Å; I1258-N1262 PolarHBondContact O-N 3.38Å; T1259-N1262 PolarHBondContact O-N 3.46Å; A1260-N1262 PolarHBondContact O-N 3.44Å; N1262-T1265 PolarHBondContact O-OG1 2.95Å; N1262-A1266 VanDerWaalsContact O-CB 3.22Å; N1262-A1266 WeakPolarHBondContact O-CB 3.24Å; N1262-A1266 PolarHBondContact O-N 3.36Å; N1262-A1266 VanDerWaalsContact O-N 3.14Å |
| 1263 | V | 88.9 | Confident | 85.7 | Confident | 8 Ų | 8 | 40.9 Ų | 40.9 | 5% | 0.048 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66.4 | -48 | 179 | 167.8 | 0 | 0 | 0 | 0 | 111.6 | F1151 T1259 A1260 S1267 | F1151-V1263 HydrophobicContact CD1-CG1 4.04Å; F1151-V1263 HydrophobicContact CD1-CG2 3.71Å; F1151-V1263 HydrophobicContact CD2-CG1 4.21Å; F1151-V1263 HydrophobicContact CE1-CB 4.28Å; F1151-V1263 HydrophobicContact CE1-CG1 3.5Å; F1151-V1263 HydrophobicContact CE1-CG2 3.93Å; F1151-V1263 HydrophobicContact CE2-CG1 3.68Å; F1151-V1263 HydrophobicContact CG-CG1 4.37Å; F1151-V1263 HydrophobicContact CG-CG2 4.13Å; F1151-V1263 HydrophobicContact CZ-CG1 3.31Å; T1259-V1263 WeakPolarHBondContact O-CB 3.44Å; T1259-V1263 VanDerWaalsContact O-CG2 3.26Å; T1259-V1263 WeakPolarHBondContact O-CG2 3.29Å; T1259-V1263 PolarHBondContact O-N 2.92Å; A1260-V1263 PolarHBondContact O-N 3.22Å; V1263-S1267 WeakPolarHBondContact O-CB 3.47Å; V1263-S1267 PolarHBondContact O-N 3.36Å; V1263-S1267 PolarHBondContact O-OG 3.45Å |
| 1264 | F | 87.1 | Confident | 85.8 | Confident | 134 Ų | 134 | 40.9 Ų | 40.9 | 59% | 0.588 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -67.4 | -46.5 | -176.3 | -80.4 | -61 | 0 | 0 | 0 | 111.2 | A1260 A1266 S1267 I1268 | A1260-F1264 HydrophobicContact CB-CD2 4.04Å; A1260-F1264 HydrophobicContact CB-CE2 4.08Å; A1260-F1264 VanDerWaalsContact O-CB 3.28Å; A1260-F1264 WeakPolarHBondContact O-CB 3.43Å; A1260-F1264 WeakPolarHBondContact O-CD2 3.29Å; A1260-F1264 PolarHBondContact O-N 2.88Å; F1264-A1266 VanDerWaalsContact C-N 3.34Å; F1264-A1266 PolarHBondContact O-N 3.09Å; F1264-S1267 PolarHBondContact O-N 2.89Å; F1264-I1268 VanDerWaalsContact O-CB 3.26Å; F1264-I1268 WeakPolarHBondContact O-CB 2.96Å; F1264-I1268 WeakPolarHBondContact O-CD1 3.42Å; F1264-I1268 WeakPolarHBondContact O-CG1 3.49Å; F1264-I1268 PolarHBondContact O-N 3.19Å |
| 1265 | T | 87.4 | Confident | 85.7 | Confident | 45 Ų | 45 | 45.7 Ų | 45.7 | 28% | 0.276 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -61.3 | -44.5 | 178.8 | 53.7 | 0 | 0 | 0 | 0 | 111.3 | I1261 N1262 G1269 | I1261-T1265 HydrophobicContact CG2-CG2 4.46Å; I1261-T1265 WeakPolarHBondContact O-CB 3.43Å; I1261-T1265 VanDerWaalsContact O-CG2 3.27Å; I1261-T1265 WeakPolarHBondContact O-CG2 3.47Å; I1261-T1265 PolarHBondContact O-N 2.75Å; I1261-T1265 PolarHBondContact O-OG1 3.15Å; N1262-T1265 PolarHBondContact O-OG1 2.95Å; T1265-G1269 PolarHBondContact O-N 3.2Å |
| 1266 | A | 90.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -72.9 | -38.2 | 179 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1150 N1262 F1264 G1269 L1270 F1301 | L1150-A1266 HydrophobicContact CD1-CB 3.53Å; L1150-A1266 HydrophobicContact CD2-CB 3.5Å; L1150-A1266 VanDerWaalsContact CD2-CB 3.5Å; L1150-A1266 HydrophobicContact CG-CB 4.14Å; N1262-A1266 VanDerWaalsContact O-CB 3.22Å; N1262-A1266 WeakPolarHBondContact O-CB 3.24Å; N1262-A1266 PolarHBondContact O-N 3.36Å; N1262-A1266 VanDerWaalsContact O-N 3.14Å; F1264-A1266 VanDerWaalsContact C-N 3.34Å; F1264-A1266 PolarHBondContact O-N 3.09Å; A1266-G1269 PolarHBondContact O-N 3.38Å; A1266-L1270 VanDerWaalsContact O-CB 3.29Å; A1266-L1270 WeakPolarHBondContact O-CB 3.29Å; A1266-L1270 PolarHBondContact O-N 3.11Å; A1266-F1301 HydrophobicContact CB-CB 4.15Å |
| 1267 | S | 87 | Confident | 85.3 | Confident | 18 Ų | 18 | 45.1 Ų | 45.1 | 13% | 0.126 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68 | -43.3 | 176.9 | -58.5 | 0 | 0 | 0 | 0 | 111.7 | V1263 F1264 G1269 L1270 I1271 | V1263-S1267 WeakPolarHBondContact O-CB 3.47Å; V1263-S1267 PolarHBondContact O-N 3.36Å; V1263-S1267 PolarHBondContact O-OG 3.45Å; F1264-S1267 PolarHBondContact O-N 2.89Å; S1267-G1269 VanDerWaalsContact C-N 3.32Å; S1267-L1270 PolarHBondContact O-N 2.98Å; S1267-I1271 WeakPolarHBondContact O-CB 3.37Å; S1267-I1271 VanDerWaalsContact O-CG1 3.23Å; S1267-I1271 WeakPolarHBondContact O-CG1 3.22Å; S1267-I1271 PolarHBondContact O-N 3.3Å |
| 1268 | I | 86.7 | Confident | 84.7 | Confident | 89 Ų | 89 | 39.4 Ų | 39.4 | 46% | 0.456 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -61.4 | -45.5 | 174.8 | -69.6 | 165.8 | 0 | 0 | 0 | 109.5 | F1264 L1270 I1271 M1272 W1294 | F1264-I1268 VanDerWaalsContact O-CB 3.26Å; F1264-I1268 WeakPolarHBondContact O-CB 2.96Å; F1264-I1268 WeakPolarHBondContact O-CD1 3.42Å; F1264-I1268 WeakPolarHBondContact O-CG1 3.49Å; F1264-I1268 PolarHBondContact O-N 3.19Å; I1268-L1270 PolarHBondContact O-N 3.3Å; I1268-I1271 PolarHBondContact O-N 3.26Å; I1268-M1272 HydrophobicContact CG2-CG 4.44Å; I1268-M1272 VanDerWaalsContact O-CB 3.23Å; I1268-M1272 WeakPolarHBondContact O-CB 3.45Å; I1268-M1272 PolarHBondContact O-N 3.08Å; I1268-W1294 HydrophobicContact CG2-CZ2 4.49Å |
| 1269 | G | 87.8 | Confident | 83.4 | Confident | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.6 | -48.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | T1265 A1266 S1267 I1271 M1272 V1273 | T1265-G1269 PolarHBondContact O-N 3.2Å; A1266-G1269 PolarHBondContact O-N 3.38Å; S1267-G1269 VanDerWaalsContact C-N 3.32Å; G1269-I1271 PolarHBondContact O-N 2.71Å; G1269-M1272 PolarHBondContact O-N 3.39Å; G1269-V1273 VanDerWaalsContact O-CB 3.31Å; G1269-V1273 WeakPolarHBondContact O-CB 3.42Å; G1269-V1273 VanDerWaalsContact O-CG2 3.26Å; G1269-V1273 WeakPolarHBondContact O-CG2 3.43Å; G1269-V1273 PolarHBondContact O-N 3.29Å |
| 1270 | L | 87.6 | Confident | 82.1 | Confident | 4 Ų | 4 | 43.6 Ų | 43.6 | 2% | 0.021 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -64.5 | -41.7 | -177.9 | -166.5 | 72.1 | 0 | 0 | 0 | 112 | F1143 A1146 A1266 S1267 I1268 G1274 F1301 H1305 F1308 | F1143-L1270 HydrophobicContact CD2-CD2 3.71Å; F1143-L1270 HydrophobicContact CD2-CG 4.07Å; F1143-L1270 HydrophobicContact CE2-CB 4.26Å; F1143-L1270 HydrophobicContact CE2-CD2 3.54Å; F1143-L1270 HydrophobicContact CE2-CG 3.84Å; F1143-L1270 HydrophobicContact CZ-CD2 4.39Å; A1146-L1270 HydrophobicContact CB-CD2 4.22Å; A1266-L1270 VanDerWaalsContact O-CB 3.29Å; A1266-L1270 WeakPolarHBondContact O-CB 3.29Å; A1266-L1270 PolarHBondContact O-N 3.11Å; S1267-L1270 PolarHBondContact O-N 2.98Å; I1268-L1270 PolarHBondContact O-N 3.3Å; L1270-G1274 PolarHBondContact O-N 2.97Å; L1270-F1301 HydrophobicContact CB-CE2 4.44Å; L1270-H1305 HydrophobicContact CD1-CB 4.17Å; L1270-F1308 HydrophobicContact CD1-CB 4.4Å; L1270-F1308 HydrophobicContact CD1-CD1 4.4Å; L1270-F1308 HydrophobicContact CD1-CG 4.49Å |
| 1271 | I | 85.3 | Confident | 81.3 | Confident | 79 Ų | 79 | 46.3 Ų | 46.3 | 41% | 0.405 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -69.6 | -47.1 | 177.3 | -66.3 | 166.4 | 0 | 0 | 0 | 110.8 | F1143 S1267 I1268 G1269 G1274 L1275 | F1143-I1271 HydrophobicContact CE2-CG1 3.61Å; F1143-I1271 HydrophobicContact CZ-CD1 3.98Å; F1143-I1271 HydrophobicContact CZ-CG1 3.47Å; F1143-I1271 VanDerWaalsContact CZ-CG1 3.47Å; S1267-I1271 WeakPolarHBondContact O-CB 3.37Å; S1267-I1271 VanDerWaalsContact O-CG1 3.23Å; S1267-I1271 WeakPolarHBondContact O-CG1 3.22Å; S1267-I1271 PolarHBondContact O-N 3.3Å; I1268-I1271 PolarHBondContact O-N 3.26Å; G1269-I1271 PolarHBondContact O-N 2.71Å; I1271-G1274 PolarHBondContact O-N 3.11Å; I1271-L1275 HydrophobicContact CG2-CD1 3.62Å; I1271-L1275 HydrophobicContact CG2-CG 4.25Å; I1271-L1275 VanDerWaalsContact O-CB 3.26Å; I1271-L1275 WeakPolarHBondContact O-CB 3.49Å; I1271-L1275 VanDerWaalsContact O-CG 3.28Å; I1271-L1275 WeakPolarHBondContact O-CG 3.35Å; I1271-L1275 PolarHBondContact O-N 3.32Å |
| 1272 | M | 85.3 | Confident | 80.4 | Confident | 94 Ų | 94 | 50.7 Ų | 50.7 | 46% | 0.463 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.3 | -50.1 | 178.8 | -95.6 | -81.9 | -158 | 0 | 0 | 111.3 | I1268 G1269 L1276 | I1268-M1272 HydrophobicContact CG2-CG 4.44Å; I1268-M1272 VanDerWaalsContact O-CB 3.23Å; I1268-M1272 WeakPolarHBondContact O-CB 3.45Å; I1268-M1272 PolarHBondContact O-N 3.08Å; G1269-M1272 PolarHBondContact O-N 3.39Å; M1272-L1276 WeakPolarHBondContact O-CB 3.26Å; M1272-L1276 WeakPolarHBondContact O-CG 3.23Å; M1272-L1276 PolarHBondContact O-N 3.01Å; M1272-L1276 HydrophobicContact SD-CD1 3.82Å |
| 1273 | V | 86.2 | Confident | 79.9 | Confident | 4 Ų | 4 | 55.2 Ų | 55.2 | 2% | 0.024 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -62.9 | -53.3 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 108.8 | G1269 L1275 L1276 S1277 L1290 M1291 F1301 | G1269-V1273 VanDerWaalsContact O-CB 3.31Å; G1269-V1273 WeakPolarHBondContact O-CB 3.42Å; G1269-V1273 VanDerWaalsContact O-CG2 3.26Å; G1269-V1273 WeakPolarHBondContact O-CG2 3.43Å; G1269-V1273 PolarHBondContact O-N 3.29Å; V1273-L1275 VanDerWaalsContact C-N 3.31Å; V1273-L1275 PolarHBondContact O-N 3.27Å; V1273-L1276 PolarHBondContact O-N 2.84Å; V1273-S1277 VanDerWaalsContact O-CB 3.28Å; V1273-S1277 WeakPolarHBondContact O-CB 3.46Å; V1273-S1277 PolarHBondContact O-N 3.42Å; V1273-S1277 PolarHBondContact O-OG 2.89Å; V1273-L1290 HydrophobicContact CG2-CB 4.23Å; V1273-M1291 HydrophobicContact CG1-CB 3.98Å; V1273-M1291 HydrophobicContact CG1-CG 4.41Å; V1273-M1291 HydrophobicContact CG2-CB 4.23Å; V1273-F1301 HydrophobicContact CB-CZ 4.47Å; V1273-F1301 HydrophobicContact CG2-CE2 4.39Å; V1273-F1301 HydrophobicContact CG2-CZ 3.97Å |
| 1274 | G | 77.7 | Confident | 79.2 | Confident | 26 Ų | 26 | 57.1 Ų | 57.1 | 27% | 0.268 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -56.2 | -39.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1270 I1271 S1277 H1278 | L1270-G1274 PolarHBondContact O-N 2.97Å; I1271-G1274 PolarHBondContact O-N 3.11Å; G1274-S1277 PolarHBondContact O-OG 2.93Å; G1274-H1278 PolarHBondContact O-N 3.4Å |
| 1275 | L | 78.5 | Confident | 78.9 | Confident | 100 Ų | 100 | 54.7 Ų | 54.7 | 52% | 0.524 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -71.5 | -49.4 | 175.5 | -75.1 | 171.1 | 0 | 0 | 0 | 112.1 | I1271 V1273 H1278 I1281 | I1271-L1275 HydrophobicContact CG2-CD1 3.62Å; I1271-L1275 HydrophobicContact CG2-CG 4.25Å; I1271-L1275 VanDerWaalsContact O-CB 3.26Å; I1271-L1275 WeakPolarHBondContact O-CB 3.49Å; I1271-L1275 VanDerWaalsContact O-CG 3.28Å; I1271-L1275 WeakPolarHBondContact O-CG 3.35Å; I1271-L1275 PolarHBondContact O-N 3.32Å; V1273-L1275 VanDerWaalsContact C-N 3.31Å; V1273-L1275 PolarHBondContact O-N 3.27Å; L1275-H1278 WeakPolarHBondContact O-CB 3.49Å; L1275-H1278 PolarHBondContact O-N 3.43Å; L1275-I1281 HydrophobicContact CB-CD1 4.42Å; L1275-I1281 WeakPolarHBondContact O-CD1 3.17Å |
| 1276 | L | 80.7 | Confident | 78.9 | Confident | 32 Ų | 32 | 55.7 Ų | 55.7 | 17% | 0.168 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -75.7 | -29.1 | -174.6 | -69.9 | 170.4 | 0 | 0 | 0 | 113.3 | M1272 V1273 H1278 I1281 Q1283 L1290 | M1272-L1276 WeakPolarHBondContact O-CB 3.26Å; M1272-L1276 WeakPolarHBondContact O-CG 3.23Å; M1272-L1276 PolarHBondContact O-N 3.01Å; M1272-L1276 HydrophobicContact SD-CD1 3.82Å; V1273-L1276 PolarHBondContact O-N 2.84Å; L1276-H1278 PolarHBondContact O-N 2.99Å; L1276-I1281 HydrophobicContact CD2-CG2 4.4Å; L1276-Q1283 HydrophobicContact CD2-CB 4.48Å; L1276-Q1283 CarbonylContact O-C 3.2Å; L1276-L1290 HydrophobicContact CD1-CD1 3.45Å; L1276-L1290 VanDerWaalsContact CD1-CD1 3.45Å |
| 1277 | S | 74.3 | Confident | 78.6 | Confident | 45 Ų | 45 | 55.7 Ų | 55.7 | 32% | 0.315 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | -9.5 | 168.8 | 61.5 | 0 | 0 | 0 | 0 | 112.1 | V1273 G1274 P1279 Q1284 | V1273-S1277 VanDerWaalsContact O-CB 3.28Å; V1273-S1277 WeakPolarHBondContact O-CB 3.46Å; V1273-S1277 PolarHBondContact O-N 3.42Å; V1273-S1277 PolarHBondContact O-OG 2.89Å; G1274-S1277 PolarHBondContact O-OG 2.93Å; S1277-P1279 WeakPolarHBondContact O-CD 3.46Å; S1277-Q1284 PolarHBondContact O-NE2 2.75Å |
| 1278 | H | 69.6 | Low | 78.5 | Confident | 38 Ų | 38 | 56.8 Ų | 56.8 | 18% | 0.176 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -68.4 | 127 | 177.3 | -165.5 | 47.9 | 0 | 0 | 0 | 109.9 | G1274 L1275 L1276 M1280 I1281 | G1274-H1278 PolarHBondContact O-N 3.4Å; L1275-H1278 WeakPolarHBondContact O-CB 3.49Å; L1275-H1278 PolarHBondContact O-N 3.43Å; L1276-H1278 PolarHBondContact O-N 2.99Å; H1278-M1280 PolarHBondContact O-N 3.28Å; H1278-M1280 VanDerWaalsContact O-N 3.13Å; H1278-I1281 PolarHBondContact O-N 3.42Å; H1278-I1281 VanDerWaalsContact O-N 3.13Å |
| 1279 | P | 61.6 | Low | 78.6 | Confident | 14 Ų | 14 | 56.9 Ų | 56.9 | 9% | 0.091 | 32% | 0.319 | C | S | . | . | G | 310 helix | trans | -59.9 | -25.1 | -175.7 | 18.2 | -32.8 | 0 | 0 | 0 | 114.8 | L1135 S1277 I1281 H1282 F1345 | L1135-P1279 HydrophobicContact CD2-CG 4.14Å; S1277-P1279 WeakPolarHBondContact O-CD 3.46Å; P1279-I1281 PolarHBondContact O-N 3.37Å; P1279-H1282 PolarHBondContact O-N 3.23Å; P1279-H1282 VanDerWaalsContact O-N 3.15Å; P1279-F1345 HydrophobicContact CB-CD1 3.26Å; P1279-F1345 HydrophobicContact CB-CE1 3.46Å; P1279-F1345 VanDerWaalsContact CB-CE1 3.46Å; P1279-F1345 HydrophobicContact CB-CG 4.24Å; P1279-F1345 HydrophobicContact CG-CD1 3.26Å; P1279-F1345 HydrophobicContact CG-CE1 3.64Å; P1279-F1345 HydrophobicContact CG-CG 4.41Å |
| 1280 | M | 59.1 | Low | 78.6 | Confident | 103 Ų | 103 | 59 Ų | 59 | 51% | 0.507 | 33% | 0.33 | S | S | . | . | G | 310 helix | trans | -62 | -23.7 | 175.8 | -79 | -79.7 | -111.4 | 0 | 0 | 114.6 | I1132 H1278 H1282 | I1132-M1280 HydrophobicContact CD1-CE 4.03Å; I1132-M1280 HydrophobicContact CD1-SD 3.96Å; I1132-M1280 HydrophobicContact CG2-CE 4.23Å; H1278-M1280 PolarHBondContact O-N 3.28Å; H1278-M1280 VanDerWaalsContact O-N 3.13Å; M1280-H1282 VanDerWaalsContact C-N 3.31Å |
| 1281 | I | 67.5 | Low | 78.8 | Confident | 78 Ų | 78 | 59.8 Ų | 59.8 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | G | 310 helix | trans | -87.7 | -6.7 | -177.7 | -49.6 | -167.9 | 0 | 0 | 0 | 110.9 | L1275 L1276 H1278 P1279 Q1283 | L1275-I1281 HydrophobicContact CB-CD1 4.42Å; L1275-I1281 WeakPolarHBondContact O-CD1 3.17Å; L1276-I1281 HydrophobicContact CD2-CG2 4.4Å; H1278-I1281 PolarHBondContact O-N 3.42Å; H1278-I1281 VanDerWaalsContact O-N 3.13Å; P1279-I1281 PolarHBondContact O-N 3.37Å; I1281-Q1283 HydrophobicContact CG2-CB 4.03Å; I1281-Q1283 HydrophobicContact CG2-CG 4.01Å; I1281-Q1283 VanDerWaalsContact O-CG 3.28Å; I1281-Q1283 WeakPolarHBondContact O-CG 3.43Å; I1281-Q1283 PolarHBondContact O-N 3.09Å |
| 1282 | H | 69.3 | Low | 79.1 | Confident | 154 Ų | 154 | 60.9 Ų | 60.9 | 71% | 0.713 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.7 | 28.7 | -175.2 | -62.5 | -65.2 | 0 | 0 | 0 | 113.5 | P1279 M1280 | P1279-H1282 PolarHBondContact O-N 3.23Å; P1279-H1282 VanDerWaalsContact O-N 3.15Å; M1280-H1282 VanDerWaalsContact C-N 3.31Å |
| 1283 | Q | 79.1 | Confident | 79.4 | Confident | 95 Ų | 95 | 61.8 Ų | 61.8 | 44% | 0.444 | 34% | 0.335 | S | S | . | . | trans | -125 | 26.4 | -173.6 | -74.5 | -94.3 | -36.8 | 0 | 0 | 112.6 | L1276 I1281 A1285 V1286 G1287 | L1276-Q1283 HydrophobicContact CD2-CB 4.48Å; L1276-Q1283 CarbonylContact O-C 3.2Å; I1281-Q1283 HydrophobicContact CG2-CB 4.03Å; I1281-Q1283 HydrophobicContact CG2-CG 4.01Å; I1281-Q1283 VanDerWaalsContact O-CG 3.28Å; I1281-Q1283 WeakPolarHBondContact O-CG 3.43Å; I1281-Q1283 PolarHBondContact O-N 3.09Å; Q1283-A1285 VanDerWaalsContact C-N 3.28Å; Q1283-A1285 PolarHBondContact O-N 3.2Å; Q1283-A1285 VanDerWaalsContact O-N 3.17Å; Q1283-V1286 WeakPolarHBondContact O-CB 3.33Å; Q1283-V1286 PolarHBondContact O-N 3.43Å; Q1283-G1287 PolarHBondContact O-N 3.43Å | ||
| 1284 | Q | 74.7 | Confident | 79.7 | Confident | 48 Ų | 48 | 63.6 Ų | 63.6 | 22% | 0.224 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -56.2 | -38.5 | -172.8 | -67.3 | -171.7 | -29.5 | 0 | 0 | 113.7 | S1277 V1286 G1287 V1288 | S1277-Q1284 PolarHBondContact O-NE2 2.75Å; Q1284-V1286 VanDerWaalsContact C-N 3.29Å; Q1284-V1286 PolarHBondContact O-N 3.32Å; Q1284-G1287 WeakPolarHBondContact O-CA 2.87Å; Q1284-G1287 PolarHBondContact O-N 3.47Å; Q1284-G1287 VanDerWaalsContact O-N 3.11Å; Q1284-V1288 WeakPolarHBondContact O-CG2 3.5Å; Q1284-V1288 PolarHBondContact O-N 2.91Å |
| 1285 | A | 81.8 | Confident | 80.4 | Confident | 83 Ų | 83 | 62.7 Ų | 62.7 | 69% | 0.686 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -59.4 | -38.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1283 V1288 C1289 | Q1283-A1285 VanDerWaalsContact C-N 3.28Å; Q1283-A1285 PolarHBondContact O-N 3.2Å; Q1283-A1285 VanDerWaalsContact O-N 3.17Å; A1285-V1288 PolarHBondContact O-N 3.4Å; A1285-C1289 WeakPolarHBondContact O-CB 3.35Å; A1285-C1289 PolarHBondContact O-N 3.1Å |
| 1286 | V | 85.8 | Confident | 80.9 | Confident | 65 Ų | 65 | 61.1 Ų | 61.1 | 39% | 0.394 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -69.2 | -39.9 | 176.4 | -179.5 | 0 | 0 | 0 | 0 | 110.4 | Q1283 Q1284 C1289 L1290 | Q1283-V1286 WeakPolarHBondContact O-CB 3.33Å; Q1283-V1286 PolarHBondContact O-N 3.43Å; Q1284-V1286 VanDerWaalsContact C-N 3.29Å; Q1284-V1286 PolarHBondContact O-N 3.32Å; V1286-C1289 PolarHBondContact O-N 3.07Å; V1286-L1290 HydrophobicContact CG1-CD1 4.03Å; V1286-L1290 WeakPolarHBondContact O-CB 3.37Å; V1286-L1290 PolarHBondContact O-N 3.48Å |
| 1287 | G | 84.4 | Confident | 81.2 | Confident | 1 Ų | 1 | 63.3 Ų | 63.3 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.4 | -46.7 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | Q1283 Q1284 C1289 L1290 M1291 | Q1283-G1287 PolarHBondContact O-N 3.43Å; Q1284-G1287 WeakPolarHBondContact O-CA 2.87Å; Q1284-G1287 PolarHBondContact O-N 3.47Å; Q1284-G1287 VanDerWaalsContact O-N 3.11Å; G1287-C1289 PolarHBondContact O-N 3.31Å; G1287-L1290 PolarHBondContact O-N 2.99Å; G1287-M1291 PolarHBondContact O-N 3.21Å |
| 1288 | V | 84.9 | Confident | 82 | Confident | 40 Ų | 40 | 61.3 Ų | 61.3 | 24% | 0.242 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.5 | -39.7 | 177.1 | 176.1 | 0 | 0 | 0 | 0 | 111.6 | Q1284 A1285 M1291 Y1292 L1358 | Q1284-V1288 WeakPolarHBondContact O-CG2 3.5Å; Q1284-V1288 PolarHBondContact O-N 2.91Å; A1285-V1288 PolarHBondContact O-N 3.4Å; V1288-M1291 HydrophobicContact CG1-CE 4.38Å; V1288-M1291 WeakPolarHBondContact O-CB 3.31Å; V1288-M1291 PolarHBondContact O-N 2.97Å; V1288-Y1292 HydrophobicContact CG1-CD2 4.09Å; V1288-Y1292 HydrophobicContact CG1-CE2 3.73Å; V1288-Y1292 VanDerWaalsContact O-CD2 3.26Å; V1288-Y1292 WeakPolarHBondContact O-CD2 3.24Å; V1288-Y1292 PolarHBondContact O-N 2.99Å; V1288-L1358 HydrophobicContact CG2-CD2 3.85Å |
| 1289 | C | 89.3 | Confident | 83.1 | Confident | 92 Ų | 92 | 59.5 Ų | 59.5 | 62% | 0.622 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.6 | -43.5 | 177.7 | -151.2 | 0 | 0 | 0 | 0 | 111.6 | A1285 V1286 G1287 M1291 Y1292 F1293 | A1285-C1289 WeakPolarHBondContact O-CB 3.35Å; A1285-C1289 PolarHBondContact O-N 3.1Å; V1286-C1289 PolarHBondContact O-N 3.07Å; G1287-C1289 PolarHBondContact O-N 3.31Å; C1289-M1291 VanDerWaalsContact C-N 3.31Å; C1289-M1291 PolarHBondContact O-N 3.26Å; C1289-Y1292 PolarHBondContact O-N 3.11Å; C1289-F1293 PolarHBondContact O-N 3.18Å; C1289-F1293 VanDerWaalsContact O-N 3.09Å |
| 1290 | L | 88.9 | Confident | 84.5 | Confident | 43 Ų | 43 | 58.9 Ų | 58.9 | 23% | 0.225 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.6 | -35.6 | 172.9 | -92.7 | 153.8 | 0 | 0 | 0 | 112.6 | V1273 L1276 V1286 G1287 F1293 W1294 | V1273-L1290 HydrophobicContact CG2-CB 4.23Å; L1276-L1290 HydrophobicContact CD1-CD1 3.45Å; L1276-L1290 VanDerWaalsContact CD1-CD1 3.45Å; V1286-L1290 HydrophobicContact CG1-CD1 4.03Å; V1286-L1290 WeakPolarHBondContact O-CB 3.37Å; V1286-L1290 PolarHBondContact O-N 3.48Å; G1287-L1290 PolarHBondContact O-N 2.99Å; L1290-F1293 WeakPolarHBondContact O-CB 3.48Å; L1290-F1293 PolarHBondContact O-N 3.46Å; L1290-W1294 PolarHBondContact O-N 2.96Å |
| 1291 | M | 90.3 | Very high | 86.1 | Confident | 21 Ų | 21 | 54 Ų | 54 | 10% | 0.103 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -57.9 | -51.9 | 175.1 | 179.7 | -169.8 | 76.2 | 0 | 0 | 110.8 | V1273 G1287 V1288 C1289 F1293 W1294 I1295 | V1273-M1291 HydrophobicContact CG1-CB 3.98Å; V1273-M1291 HydrophobicContact CG1-CG 4.41Å; V1273-M1291 HydrophobicContact CG2-CB 4.23Å; G1287-M1291 PolarHBondContact O-N 3.21Å; V1288-M1291 HydrophobicContact CG1-CE 4.38Å; V1288-M1291 WeakPolarHBondContact O-CB 3.31Å; V1288-M1291 PolarHBondContact O-N 2.97Å; C1289-M1291 VanDerWaalsContact C-N 3.31Å; C1289-M1291 PolarHBondContact O-N 3.26Å; M1291-F1293 VanDerWaalsContact C-N 3.33Å; M1291-F1293 PolarHBondContact O-N 2.75Å; M1291-W1294 PolarHBondContact O-N 3.45Å; M1291-I1295 HydrophobicContact CG-CD1 3.93Å; M1291-I1295 VanDerWaalsContact O-CG1 3.29Å; M1291-I1295 WeakPolarHBondContact O-CG1 3.45Å; M1291-I1295 PolarHBondContact O-N 3.27Å |
| 1292 | Y | 91.7 | Very high | 87.3 | Confident | 102 Ų | 102 | 50.2 Ų | 50.2 | 40% | 0.4 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64.3 | -36.2 | 177.9 | -72.8 | -66.1 | 0 | 0 | 0 | 112.9 | V1288 C1289 I1295 A1296 A1363 | V1288-Y1292 HydrophobicContact CG1-CD2 4.09Å; V1288-Y1292 HydrophobicContact CG1-CE2 3.73Å; V1288-Y1292 VanDerWaalsContact O-CD2 3.26Å; V1288-Y1292 WeakPolarHBondContact O-CD2 3.24Å; V1288-Y1292 PolarHBondContact O-N 2.99Å; C1289-Y1292 PolarHBondContact O-N 3.11Å; Y1292-I1295 HydrophobicContact CD1-CD1 4.45Å; Y1292-I1295 PolarHBondContact O-N 2.95Å; Y1292-A1296 WeakPolarHBondContact O-CB 3.43Å; Y1292-A1296 PolarHBondContact O-N 2.8Å; Y1292-A1363 HydrophobicContact CE1-CB 4.13Å |
| 1293 | F | 92.5 | Very high | 88.4 | Confident | 113 Ų | 113 | 43 Ų | 43 | 50% | 0.496 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59.4 | -47.6 | 173.7 | 172.5 | -96.8 | 0 | 0 | 0 | 112.2 | C1289 L1290 M1291 A1296 I1297 | C1289-F1293 PolarHBondContact O-N 3.18Å; C1289-F1293 VanDerWaalsContact O-N 3.09Å; L1290-F1293 WeakPolarHBondContact O-CB 3.48Å; L1290-F1293 PolarHBondContact O-N 3.46Å; M1291-F1293 VanDerWaalsContact C-N 3.33Å; M1291-F1293 PolarHBondContact O-N 2.75Å; F1293-A1296 PolarHBondContact O-N 3.37Å; F1293-I1297 HydrophobicContact CD1-CD1 4.07Å; F1293-I1297 HydrophobicContact CD2-CD1 3.88Å; F1293-I1297 HydrophobicContact CE1-CD1 3.57Å; F1293-I1297 HydrophobicContact CE2-CD1 3.35Å; F1293-I1297 HydrophobicContact CG-CD1 4.22Å; F1293-I1297 HydrophobicContact CZ-CD1 3.18Å; F1293-I1297 WeakPolarHBondContact O-CG1 3.47Å; F1293-I1297 PolarHBondContact O-N 3.49Å |
| 1294 | W | 91.9 | Very high | 89 | Confident | 42 Ų | 42 | 38.4 Ų | 38.4 | 16% | 0.159 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -70.9 | -35.3 | 179.3 | -76 | 114.6 | 0 | 0 | 0 | 112.8 | I1268 L1290 M1291 A1296 I1297 S1298 F1301 | I1268-W1294 HydrophobicContact CG2-CZ2 4.49Å; L1290-W1294 PolarHBondContact O-N 2.96Å; M1291-W1294 PolarHBondContact O-N 3.45Å; W1294-A1296 VanDerWaalsContact C-N 3.25Å; W1294-A1296 PolarHBondContact O-N 2.87Å; W1294-I1297 PolarHBondContact O-N 3.45Å; W1294-S1298 PolarHBondContact O-N 2.83Å; W1294-F1301 HydrophobicContact CB-CD1 3.37Å; W1294-F1301 HydrophobicContact CB-CD2 4.16Å; W1294-F1301 HydrophobicContact CB-CE1 3.4Å; W1294-F1301 HydrophobicContact CB-CE2 4.2Å; W1294-F1301 HydrophobicContact CB-CG 3.76Å; W1294-F1301 HydrophobicContact CB-CZ 3.83Å |
| 1295 | I | 91.9 | Very high | 89.8 | Confident | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.041 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -57.3 | -41.1 | 171.9 | -73.1 | 170.6 | 0 | 0 | 0 | 110.6 | M1291 Y1292 I1297 F1301 C1302 A1367 H1371 | M1291-I1295 HydrophobicContact CG-CD1 3.93Å; M1291-I1295 VanDerWaalsContact O-CG1 3.29Å; M1291-I1295 WeakPolarHBondContact O-CG1 3.45Å; M1291-I1295 PolarHBondContact O-N 3.27Å; Y1292-I1295 HydrophobicContact CD1-CD1 4.45Å; Y1292-I1295 PolarHBondContact O-N 2.95Å; I1295-I1297 VanDerWaalsContact C-N 3.3Å; I1295-I1297 PolarHBondContact O-N 2.86Å; I1295-F1301 HydrophobicContact CG1-CD1 4.25Å; I1295-F1301 HydrophobicContact CG1-CE1 3.96Å; I1295-C1302 PolarHBondContact O-SG 3.34Å; I1295-A1367 HydrophobicContact CG2-CB 3.46Å; I1295-A1367 VanDerWaalsContact CG2-CB 3.46Å; I1295-H1371 PolarHBondContact O-NE2 3.42Å |
| 1296 | A | 90.1 | Very high | 90.2 | Very high | 66 Ų | 66 | 32.6 Ų | 32.6 | 55% | 0.545 | 18% | 0.176 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -13 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | Y1292 F1293 W1294 H1371 | Y1292-A1296 WeakPolarHBondContact O-CB 3.43Å; Y1292-A1296 PolarHBondContact O-N 2.8Å; F1293-A1296 PolarHBondContact O-N 3.37Å; W1294-A1296 VanDerWaalsContact C-N 3.25Å; W1294-A1296 PolarHBondContact O-N 2.87Å; A1296-H1371 PolarHBondContact O-CE1 2.95Å; A1296-H1371 PolarHBondContact O-NE2 3.45Å |
| 1297 | I | 87.3 | Confident | 90.4 | Very high | 79 Ų | 79 | 29.6 Ų | 29.6 | 41% | 0.405 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -112.8 | -42.3 | -172.8 | -69.3 | 172.5 | 0 | 0 | 0 | 112.5 | F1293 W1294 I1295 Y1375 | F1293-I1297 HydrophobicContact CD1-CD1 4.07Å; F1293-I1297 HydrophobicContact CD2-CD1 3.88Å; F1293-I1297 HydrophobicContact CE1-CD1 3.57Å; F1293-I1297 HydrophobicContact CE2-CD1 3.35Å; F1293-I1297 HydrophobicContact CG-CD1 4.22Å; F1293-I1297 HydrophobicContact CZ-CD1 3.18Å; F1293-I1297 WeakPolarHBondContact O-CG1 3.47Å; F1293-I1297 PolarHBondContact O-N 3.49Å; W1294-I1297 PolarHBondContact O-N 3.45Å; I1295-I1297 VanDerWaalsContact C-N 3.3Å; I1295-I1297 PolarHBondContact O-N 2.86Å; I1297-Y1375 PolarHBondContact O-OH 3.45Å |
| 1298 | S | 89.6 | Confident | 90.6 | Very high | 3 Ų | 3 | 30.2 Ų | 30.2 | 2% | 0.021 | 16% | 0.161 | C | C | . | . | trans | -120.9 | 110.2 | -166.8 | -178.9 | 0 | 0 | 0 | 0 | 112.1 | W1294 S1300 F1301 C1302 | W1294-S1298 PolarHBondContact O-N 2.83Å; S1298-S1300 PolarHBondContact O-N 3.25Å; S1298-F1301 WeakPolarHBondContact O-CB 3.38Å; S1298-F1301 PolarHBondContact O-N 3.43Å; S1298-F1301 PolarHBondContact OG-N 3.03Å; S1298-C1302 PolarHBondContact O-N 3.36Å; S1298-C1302 VanDerWaalsContact O-N 3.1Å | ||
| 1299 | P | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.2 | -35.6 | 172 | -27.1 | 37 | 0 | 0 | 0 | 112.9 | F1233 A1236 Q1240 F1301 C1302 L1303 L1368 H1371 Y1375 | F1233-P1299 HydrophobicContact CD2-CB 4.31Å; F1233-P1299 WeakPolarHBondContact CD2-O 3.24Å; F1233-P1299 HydrophobicContact CE2-CB 4.27Å; A1236-P1299 HydrophobicContact CB-CB 4.07Å; A1236-P1299 HydrophobicContact CB-CG 4.19Å; Q1240-P1299 VanDerWaalsContact OE1-CG 3.26Å; P1299-F1301 VanDerWaalsContact C-N 3.35Å; P1299-C1302 WeakPolarHBondContact O-CB 3.18Å; P1299-C1302 PolarHBondContact O-N 3.48Å; P1299-L1303 PolarHBondContact O-N 3.37Å; P1299-L1303 VanDerWaalsContact O-N 3.13Å; P1299-L1368 HydrophobicContact CB-CD2 3.78Å; P1299-H1371 HydrophobicContact CG-CB 4.35Å; P1299-Y1375 HydrophobicContact CG-CE2 3.88Å |
| 1300 | S | 92.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.7 | -37.1 | 177.2 | -67.2 | 0 | 0 | 0 | 0 | 112.3 | S1298 S1304 | S1298-S1300 PolarHBondContact O-N 3.25Å; S1300-S1304 PolarHBondContact O-N 3.49Å; S1300-S1304 VanDerWaalsContact O-N 3.16Å |
| 1301 | F | 92.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -66.4 | -41.6 | 172.5 | 176.1 | -98.8 | 0 | 0 | 0 | 111.3 | A1266 L1270 V1273 W1294 I1295 S1298 P1299 L1303 S1304 H1305 | A1266-F1301 HydrophobicContact CB-CB 4.15Å; L1270-F1301 HydrophobicContact CB-CE2 4.44Å; V1273-F1301 HydrophobicContact CB-CZ 4.47Å; V1273-F1301 HydrophobicContact CG2-CE2 4.39Å; V1273-F1301 HydrophobicContact CG2-CZ 3.97Å; W1294-F1301 HydrophobicContact CB-CD1 3.37Å; W1294-F1301 HydrophobicContact CB-CD2 4.16Å; W1294-F1301 HydrophobicContact CB-CE1 3.4Å; W1294-F1301 HydrophobicContact CB-CE2 4.2Å; W1294-F1301 HydrophobicContact CB-CG 3.76Å; W1294-F1301 HydrophobicContact CB-CZ 3.83Å; I1295-F1301 HydrophobicContact CG1-CD1 4.25Å; I1295-F1301 HydrophobicContact CG1-CE1 3.96Å; S1298-F1301 WeakPolarHBondContact O-CB 3.38Å; S1298-F1301 PolarHBondContact O-N 3.43Å; S1298-F1301 PolarHBondContact OG-N 3.03Å; P1299-F1301 VanDerWaalsContact C-N 3.35Å; F1301-L1303 VanDerWaalsContact C-N 3.28Å; F1301-L1303 PolarHBondContact O-N 3.02Å; F1301-S1304 PolarHBondContact O-N 3.11Å; F1301-S1304 PolarHBondContact O-OG 3.08Å; F1301-H1305 HydrophobicContact CD1-CB 4.45Å; F1301-H1305 HydrophobicContact CE1-CB 4.06Å; F1301-H1305 HydrophobicContact CE2-CB 4.11Å; F1301-H1305 HydrophobicContact CZ-CB 3.88Å; F1301-H1305 AromaticContact CZ-CD2 3.47Å; F1301-H1305 VanDerWaalsContact CZ-CD2 3.47Å; F1301-H1305 WeakPolarHBondContact CZ-CD2 3.42Å; F1301-H1305 AromaticContact CZ-CG 3.89Å; F1301-H1305 VanDerWaalsContact O-CB 3.28Å; F1301-H1305 WeakPolarHBondContact O-CB 3.4Å; F1301-H1305 PolarHBondContact O-N 2.74Å |
| 1302 | C | 93.2 | Very high | 90.1 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -56.6 | -43.1 | 177.3 | -70.5 | 0 | 0 | 0 | 0 | 112.1 | I1295 S1298 P1299 G1306 H1364 L1368 | I1295-C1302 PolarHBondContact O-SG 3.34Å; S1298-C1302 PolarHBondContact O-N 3.36Å; S1298-C1302 VanDerWaalsContact O-N 3.1Å; P1299-C1302 WeakPolarHBondContact O-CB 3.18Å; P1299-C1302 PolarHBondContact O-N 3.48Å; C1302-G1306 WeakPolarHBondContact O-CA 3.48Å; C1302-G1306 PolarHBondContact O-N 3Å; C1302-H1364 HydrophobicContact CB-CB 4.37Å; C1302-L1368 HydrophobicContact CB-CD1 4.23Å; C1302-L1368 HydrophobicContact CB-CD2 3.9Å; C1302-L1368 HydrophobicContact CB-CG 3.97Å |
| 1303 | L | 92.6 | Very high | 89.7 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.005 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.9 | -52 | 176.4 | 179.7 | 70.3 | 0 | 0 | 0 | 111.8 | A1153 L1229 F1230 F1233 P1299 F1301 G1306 I1307 | A1153-L1303 HydrophobicContact CB-CD2 3.38Å; L1229-L1303 HydrophobicContact CD2-CD1 4.13Å; L1229-L1303 HydrophobicContact CG-CD1 4.01Å; F1230-L1303 HydrophobicContact CD1-CD1 3.89Å; F1230-L1303 HydrophobicContact CD1-CD2 4.38Å; F1230-L1303 HydrophobicContact CE1-CD1 3.85Å; F1230-L1303 HydrophobicContact CE1-CD2 3.94Å; F1230-L1303 HydrophobicContact CE1-CG 4.46Å; F1230-L1303 HydrophobicContact CG-CD1 4.33Å; F1230-L1303 HydrophobicContact CZ-CD1 4.24Å; F1233-L1303 HydrophobicContact CB-CD1 4.3Å; F1233-L1303 HydrophobicContact CD1-CD2 3.8Å; F1233-L1303 HydrophobicContact CD2-CB 3.84Å; F1233-L1303 HydrophobicContact CD2-CD2 4.25Å; F1233-L1303 HydrophobicContact CE1-CD2 3.79Å; F1233-L1303 HydrophobicContact CE2-CB 4.18Å; F1233-L1303 HydrophobicContact CE2-CD2 4.25Å; F1233-L1303 HydrophobicContact CG-CB 4.14Å; F1233-L1303 HydrophobicContact CG-CD1 4.34Å; F1233-L1303 HydrophobicContact CG-CD2 4.02Å; F1233-L1303 HydrophobicContact CG-CG 4.4Å; F1233-L1303 HydrophobicContact CZ-CD2 4.02Å; P1299-L1303 PolarHBondContact O-N 3.37Å; P1299-L1303 VanDerWaalsContact O-N 3.13Å; F1301-L1303 VanDerWaalsContact C-N 3.28Å; F1301-L1303 PolarHBondContact O-N 3.02Å; L1303-G1306 PolarHBondContact O-N 3.49Å; L1303-I1307 HydrophobicContact CD1-CD1 4.02Å; L1303-I1307 HydrophobicContact CD1-CG1 4.49Å; L1303-I1307 HydrophobicContact CG-CD1 4.16Å; L1303-I1307 WeakPolarHBondContact O-CG1 3.04Å; L1303-I1307 PolarHBondContact O-N 3.22Å |
| 1304 | S | 91.4 | Very high | 89.3 | Confident | 0 Ų | 0 | 14.6 Ų | 14.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | -174 | 79.8 | 0 | 0 | 0 | 0 | 111.9 | S1300 F1301 I1307 F1308 | S1300-S1304 PolarHBondContact O-N 3.49Å; S1300-S1304 VanDerWaalsContact O-N 3.16Å; F1301-S1304 PolarHBondContact O-N 3.11Å; F1301-S1304 PolarHBondContact O-OG 3.08Å; S1304-I1307 PolarHBondContact O-N 3.29Å; S1304-F1308 WeakPolarHBondContact O-CB 3.31Å; S1304-F1308 PolarHBondContact O-N 3.26Å |
| 1305 | H | 90.9 | Very high | 88.7 | Confident | 8 Ų | 8 | 13.6 Ų | 13.6 | 4% | 0.037 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -69.6 | -34.9 | 176.7 | -168.3 | -66.2 | 0 | 0 | 0 | 111.4 | L1270 F1301 F1308 Q1309 H1364 | L1270-H1305 HydrophobicContact CD1-CB 4.17Å; F1301-H1305 HydrophobicContact CD1-CB 4.45Å; F1301-H1305 HydrophobicContact CE1-CB 4.06Å; F1301-H1305 HydrophobicContact CE2-CB 4.11Å; F1301-H1305 HydrophobicContact CZ-CB 3.88Å; F1301-H1305 AromaticContact CZ-CD2 3.47Å; F1301-H1305 VanDerWaalsContact CZ-CD2 3.47Å; F1301-H1305 WeakPolarHBondContact CZ-CD2 3.42Å; F1301-H1305 AromaticContact CZ-CG 3.89Å; F1301-H1305 VanDerWaalsContact O-CB 3.28Å; F1301-H1305 WeakPolarHBondContact O-CB 3.4Å; F1301-H1305 PolarHBondContact O-N 2.74Å; H1305-F1308 PolarHBondContact O-N 3.33Å; H1305-Q1309 PolarHBondContact CE1-OE1 2.87Å; H1305-Q1309 VanDerWaalsContact CE1-OE1 3.27Å; H1305-Q1309 VanDerWaalsContact O-CB 3.3Å; H1305-Q1309 WeakPolarHBondContact O-CB 3.06Å; H1305-Q1309 PolarHBondContact O-N 2.94Å; H1305-H1364 AromaticContact CG-NE2 3.87Å; H1305-H1364 AromaticContact ND1-CE1 3.96Å; H1305-H1364 AromaticContact ND1-NE2 3.24Å; H1305-H1364 PolarHBondContact ND1-NE2 3.21Å |
| 1306 | G | 90.6 | Very high | 88 | Confident | 0 Ų | 0 | 14 Ų | 14 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -61.1 | -46.2 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | C1302 L1303 Q1309 L1310 | C1302-G1306 WeakPolarHBondContact O-CA 3.48Å; C1302-G1306 PolarHBondContact O-N 3Å; L1303-G1306 PolarHBondContact O-N 3.49Å; G1306-Q1309 PolarHBondContact O-N 3.39Å; G1306-L1310 WeakPolarHBondContact O-CG 3.13Å; G1306-L1310 PolarHBondContact O-N 3.2Å |
| 1307 | I | 89.9 | Confident | 87.6 | Confident | 2 Ų | 2 | 13.8 Ų | 13.8 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -64.9 | -42.4 | 175.4 | -66 | 173.2 | 0 | 0 | 0 | 111.1 | I1149 F1217 L1226 L1229 F1230 L1303 S1304 Q1309 L1310 F1311 | I1149-I1307 HydrophobicContact CB-CD1 4.33Å; I1149-I1307 HydrophobicContact CD1-CD1 4.23Å; I1149-I1307 HydrophobicContact CD1-CG2 4.04Å; I1149-I1307 HydrophobicContact CG2-CD1 3.57Å; F1217-I1307 HydrophobicContact CE1-CG2 4.17Å; F1217-I1307 HydrophobicContact CZ-CG2 4.3Å; L1226-I1307 HydrophobicContact CD1-CG1 4.17Å; L1229-I1307 HydrophobicContact CD2-CG1 3.97Å; F1230-I1307 HydrophobicContact CE2-CD1 4.27Å; F1230-I1307 HydrophobicContact CZ-CD1 3.97Å; L1303-I1307 HydrophobicContact CD1-CD1 4.02Å; L1303-I1307 HydrophobicContact CD1-CG1 4.49Å; L1303-I1307 HydrophobicContact CG-CD1 4.16Å; L1303-I1307 WeakPolarHBondContact O-CG1 3.04Å; L1303-I1307 PolarHBondContact O-N 3.22Å; S1304-I1307 PolarHBondContact O-N 3.29Å; I1307-Q1309 VanDerWaalsContact C-N 3.32Å; I1307-Q1309 PolarHBondContact O-N 3.47Å; I1307-L1310 PolarHBondContact O-N 3.04Å; I1307-F1311 PolarHBondContact O-N 3.29Å |
| 1308 | F | 88.3 | Confident | 87 | Confident | 15 Ų | 15 | 15.9 Ų | 15.9 | 7% | 0.066 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -61.5 | -40.2 | 176.7 | -175.2 | -114.7 | 0 | 0 | 0 | 112.1 | V1139 F1143 A1146 L1270 S1304 H1305 F1311 I1312 | V1139-F1308 HydrophobicContact CG1-CZ 4.17Å; F1143-F1308 HydrophobicContact CB-CE2 4.46Å; A1146-F1308 HydrophobicContact CB-CB 3.9Å; A1146-F1308 HydrophobicContact CB-CD2 4.34Å; L1270-F1308 HydrophobicContact CD1-CB 4.4Å; L1270-F1308 HydrophobicContact CD1-CD1 4.4Å; L1270-F1308 HydrophobicContact CD1-CG 4.49Å; S1304-F1308 WeakPolarHBondContact O-CB 3.31Å; S1304-F1308 PolarHBondContact O-N 3.26Å; H1305-F1308 PolarHBondContact O-N 3.33Å; F1308-F1311 WeakPolarHBondContact O-CB 3.44Å; F1308-F1311 PolarHBondContact O-N 3.38Å; F1308-I1312 HydrophobicContact CD1-CD1 3.91Å; F1308-I1312 HydrophobicContact CD2-CD1 4.44Å; F1308-I1312 HydrophobicContact CE1-CD1 3.31Å; F1308-I1312 HydrophobicContact CE1-CG1 4.38Å; F1308-I1312 HydrophobicContact CE2-CD1 3.9Å; F1308-I1312 HydrophobicContact CE2-CG1 4.33Å; F1308-I1312 HydrophobicContact CG-CD1 4.45Å; F1308-I1312 HydrophobicContact CZ-CD1 3.31Å; F1308-I1312 HydrophobicContact CZ-CG1 4.21Å; F1308-I1312 WeakPolarHBondContact O-CG1 3.5Å; F1308-I1312 PolarHBondContact O-N 3.34Å |
| 1309 | Q | 87.1 | Confident | 86.2 | Confident | 27 Ų | 27 | 16.9 Ų | 16.9 | 13% | 0.126 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -67.9 | -42.8 | 178.3 | -159.2 | 67.6 | 24.5 | 0 | 0 | 111.7 | H1305 G1306 I1307 F1311 I1312 N1313 | H1305-Q1309 PolarHBondContact CE1-OE1 2.87Å; H1305-Q1309 VanDerWaalsContact CE1-OE1 3.27Å; H1305-Q1309 VanDerWaalsContact O-CB 3.3Å; H1305-Q1309 WeakPolarHBondContact O-CB 3.06Å; H1305-Q1309 PolarHBondContact O-N 2.94Å; G1306-Q1309 PolarHBondContact O-N 3.39Å; I1307-Q1309 VanDerWaalsContact C-N 3.32Å; I1307-Q1309 PolarHBondContact O-N 3.47Å; Q1309-F1311 VanDerWaalsContact C-N 3.29Å; Q1309-F1311 PolarHBondContact O-N 3.38Å; Q1309-I1312 PolarHBondContact O-N 3.02Å; Q1309-N1313 VanDerWaalsContact O-CB 3.26Å; Q1309-N1313 WeakPolarHBondContact O-CB 3.47Å; Q1309-N1313 PolarHBondContact O-N 3.44Å |
| 1310 | L | 87.3 | Confident | 85.3 | Confident | 14 Ų | 14 | 17 Ų | 17 | 7% | 0.073 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -58.4 | -43.2 | 173.6 | -72.9 | 170.8 | 0 | 0 | 0 | 111.5 | F1217 L1226 G1306 I1307 Y1314 E1353 V1361 | F1217-L1310 HydrophobicContact CE1-CB 4.44Å; L1226-L1310 HydrophobicContact CD1-CD1 4.38Å; G1306-L1310 WeakPolarHBondContact O-CG 3.13Å; G1306-L1310 PolarHBondContact O-N 3.2Å; I1307-L1310 PolarHBondContact O-N 3.04Å; L1310-Y1314 PolarHBondContact O-N 3.46Å; L1310-E1353 HydrophobicContact CD2-CB 4.14Å; L1310-E1353 HydrophobicContact CD2-CG 4.3Å; L1310-V1361 HydrophobicContact CD1-CG2 4.4Å; L1310-V1361 HydrophobicContact CD2-CG2 3.64Å; L1310-V1361 HydrophobicContact CG-CG2 3.72Å |
| 1311 | F | 85.9 | Confident | 84.6 | Confident | 1 Ų | 1 | 19.8 Ų | 19.8 | 0% | 0.004 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.5 | -50.7 | 177.3 | 170.9 | -101.7 | 0 | 0 | 0 | 112.3 | F955 V1138 G1142 Q1216 F1217 I1307 F1308 Q1309 N1313 Y1314 Q1315 | F955-F1311 HydrophobicContact CE2-CD2 4.28Å; F955-F1311 AromaticContact CE2-CE2 3.54Å; F955-F1311 HydrophobicContact CE2-CE2 3.54Å; F955-F1311 HydrophobicContact CE2-CZ 4.13Å; F955-F1311 HydrophobicContact CZ-CE2 4.05Å; V1138-F1311 HydrophobicContact CG1-CE1 4.02Å; V1138-F1311 WeakPolarHBondContact O-CE1 3.24Å; G1142-F1311 VanDerWaalsContact CA-CD1 3.5Å; Q1216-F1311 HydrophobicContact CG-CD2 4.44Å; F1217-F1311 HydrophobicContact CZ-CB 4.06Å; F1217-F1311 HydrophobicContact CZ-CD2 4.48Å; I1307-F1311 PolarHBondContact O-N 3.29Å; F1308-F1311 WeakPolarHBondContact O-CB 3.44Å; F1308-F1311 PolarHBondContact O-N 3.38Å; Q1309-F1311 VanDerWaalsContact C-N 3.29Å; Q1309-F1311 PolarHBondContact O-N 3.38Å; F1311-N1313 VanDerWaalsContact C-N 3.32Å; F1311-N1313 PolarHBondContact O-N 3.4Å; F1311-Y1314 WeakPolarHBondContact O-CB 3.22Å; F1311-Y1314 PolarHBondContact O-N 3.39Å; F1311-Q1315 HydrophobicContact CD2-CG 4.4Å; F1311-Q1315 HydrophobicContact CE1-CG 4.07Å; F1311-Q1315 HydrophobicContact CE2-CG 3.84Å; F1311-Q1315 HydrophobicContact CZ-CG 3.67Å; F1311-Q1315 WeakPolarHBondContact O-CG 3.5Å; F1311-Q1315 PolarHBondContact O-N 2.75Å; F1311-Q1315 VanDerWaalsContact O-N 3.11Å |
| 1312 | I | 81.5 | Confident | 83.7 | Confident | 18 Ų | 18 | 21.9 Ų | 21.9 | 9% | 0.092 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -62 | -43.3 | 179.5 | -75 | -176 | 0 | 0 | 0 | 110.7 | V1139 F1308 Q1309 Y1314 Q1315 F1316 | V1139-I1312 HydrophobicContact CG2-CD1 4.43Å; F1308-I1312 HydrophobicContact CD1-CD1 3.91Å; F1308-I1312 HydrophobicContact CD2-CD1 4.44Å; F1308-I1312 HydrophobicContact CE1-CD1 3.31Å; F1308-I1312 HydrophobicContact CE1-CG1 4.38Å; F1308-I1312 HydrophobicContact CE2-CD1 3.9Å; F1308-I1312 HydrophobicContact CE2-CG1 4.33Å; F1308-I1312 HydrophobicContact CG-CD1 4.45Å; F1308-I1312 HydrophobicContact CZ-CD1 3.31Å; F1308-I1312 HydrophobicContact CZ-CG1 4.21Å; F1308-I1312 WeakPolarHBondContact O-CG1 3.5Å; F1308-I1312 PolarHBondContact O-N 3.34Å; Q1309-I1312 PolarHBondContact O-N 3.02Å; I1312-Y1314 VanDerWaalsContact C-N 3.28Å; I1312-Y1314 PolarHBondContact O-N 3.02Å; I1312-Q1315 PolarHBondContact O-N 2.66Å; I1312-F1316 HydrophobicContact CG2-CD2 3.46Å; I1312-F1316 VanDerWaalsContact CG2-CD2 3.46Å; I1312-F1316 HydrophobicContact CG2-CE2 3.18Å; I1312-F1316 HydrophobicContact CG2-CZ 4.13Å; I1312-F1316 WeakPolarHBondContact O-CD2 3.48Å; I1312-F1316 PolarHBondContact O-N 3.19Å |
| 1313 | N | 84.9 | Confident | 82.7 | Confident | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.3 | -38.6 | 179.4 | -163.9 | 43.4 | 0 | 0 | 0 | 111.3 | Q1309 F1311 R1317 W1349 T1350 | Q1309-N1313 VanDerWaalsContact O-CB 3.26Å; Q1309-N1313 WeakPolarHBondContact O-CB 3.47Å; Q1309-N1313 PolarHBondContact O-N 3.44Å; F1311-N1313 VanDerWaalsContact C-N 3.32Å; F1311-N1313 PolarHBondContact O-N 3.4Å; N1313-R1317 WeakPolarHBondContact O-CB 3.49Å; N1313-R1317 WeakPolarHBondContact O-CG 3.32Å; N1313-R1317 PolarHBondContact O-N 2.96Å; N1313-W1349 VanDerWaalsContact OD1-CA 3.25Å; N1313-W1349 WeakPolarHBondContact OD1-CA 3.48Å; N1313-W1349 WeakPolarHBondContact OD1-CB 3.47Å; N1313-T1350 PolarHBondContact ND2-O 3.22Å; N1313-T1350 PolarHBondContact OD1-N 3.15Å; N1313-T1350 PolarHBondContact OD1-O 3.38Å |
| 1314 | Y | 83.9 | Confident | 81.5 | Confident | 21 Ų | 21 | 30.6 Ų | 30.6 | 8% | 0.082 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.5 | -48.6 | 173.3 | 177.6 | -92.3 | 0 | 0 | 0 | 112.6 | E1215 Q1216 R1222 L1310 F1311 I1312 F1316 R1317 Q1318 | E1215-Y1314 WeakPolarHBondContact CB-OH 3.41Å; E1215-Y1314 PolarHBondContact OE2-OH 3.33Å; E1215-Y1314 VanDerWaalsContact OE2-OH 3.11Å; Q1216-Y1314 HydrophobicContact CB-CD1 4.24Å; Q1216-Y1314 HydrophobicContact CB-CG 4.23Å; Q1216-Y1314 HydrophobicContact CG-CD1 3.23Å; Q1216-Y1314 HydrophobicContact CG-CD2 4.35Å; Q1216-Y1314 HydrophobicContact CG-CE1 3.49Å; Q1216-Y1314 VanDerWaalsContact CG-CE1 3.49Å; Q1216-Y1314 HydrophobicContact CG-CG 3.7Å; R1222-Y1314 VanDerWaalsContact CZ-CD2 3.49Å; R1222-Y1314 VanDerWaalsContact NH1-CD2 3.29Å; L1310-Y1314 PolarHBondContact O-N 3.46Å; F1311-Y1314 WeakPolarHBondContact O-CB 3.22Å; F1311-Y1314 PolarHBondContact O-N 3.39Å; I1312-Y1314 VanDerWaalsContact C-N 3.28Å; I1312-Y1314 PolarHBondContact O-N 3.02Å; Y1314-F1316 VanDerWaalsContact C-N 3.34Å; Y1314-F1316 PolarHBondContact O-N 2.84Å; Y1314-R1317 PolarHBondContact O-N 2.91Å; Y1314-Q1318 PolarHBondContact O-N 3.14Å |
| 1315 | Q | 79.1 | Confident | 80.4 | Confident | 21 Ų | 21 | 31.2 Ų | 31.2 | 10% | 0.098 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -62.4 | -42.6 | -177.2 | -68.8 | -66.3 | -20.4 | 0 | 0 | 111.5 | V1138 F1311 I1312 Q1318 | V1138-Q1315 HydrophobicContact CG1-CB 3.86Å; V1138-Q1315 HydrophobicContact CG1-CG 3.93Å; F1311-Q1315 HydrophobicContact CD2-CG 4.4Å; F1311-Q1315 HydrophobicContact CE1-CG 4.07Å; F1311-Q1315 HydrophobicContact CE2-CG 3.84Å; F1311-Q1315 HydrophobicContact CZ-CG 3.67Å; F1311-Q1315 WeakPolarHBondContact O-CG 3.5Å; F1311-Q1315 PolarHBondContact O-N 2.75Å; F1311-Q1315 VanDerWaalsContact O-N 3.11Å; I1312-Q1315 PolarHBondContact O-N 2.66Å; Q1315-Q1318 PolarHBondContact O-N 3.14Å |
| 1316 | F | 77.9 | Confident | 79.6 | Confident | 16 Ų | 16 | 35.6 Ų | 35.6 | 7% | 0.07 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -66.2 | -43 | 174.2 | -69.9 | -44.3 | 0 | 0 | 0 | 112 | I1129 L1135 I1312 Y1314 Q1318 V1319 C1320 A1347 W1349 | I1129-F1316 HydrophobicContact CG2-CE1 4.21Å; L1135-F1316 HydrophobicContact CD1-CE1 3.87Å; L1135-F1316 HydrophobicContact CD1-CZ 3.58Å; I1312-F1316 HydrophobicContact CG2-CD2 3.46Å; I1312-F1316 VanDerWaalsContact CG2-CD2 3.46Å; I1312-F1316 HydrophobicContact CG2-CE2 3.18Å; I1312-F1316 HydrophobicContact CG2-CZ 4.13Å; I1312-F1316 WeakPolarHBondContact O-CD2 3.48Å; I1312-F1316 PolarHBondContact O-N 3.19Å; Y1314-F1316 VanDerWaalsContact C-N 3.34Å; Y1314-F1316 PolarHBondContact O-N 2.84Å; F1316-Q1318 VanDerWaalsContact C-N 3.3Å; F1316-Q1318 PolarHBondContact O-N 3.46Å; F1316-V1319 PolarHBondContact O-N 3.5Å; F1316-C1320 VanDerWaalsContact O-CB 3.28Å; F1316-C1320 WeakPolarHBondContact O-CB 3.49Å; F1316-C1320 PolarHBondContact O-N 3.35Å; F1316-C1320 PolarHBondContact O-SG 3.44Å; F1316-A1347 HydrophobicContact CD1-CB 3.85Å; F1316-A1347 HydrophobicContact CD2-CB 4.11Å; F1316-A1347 HydrophobicContact CE1-CB 3.68Å; F1316-A1347 HydrophobicContact CE2-CB 3.92Å; F1316-A1347 HydrophobicContact CG-CB 4.08Å; F1316-A1347 HydrophobicContact CZ-CB 3.72Å; F1316-W1349 HydrophobicContact CB-CB 3.92Å; F1316-W1349 HydrophobicContact CB-CG 4.42Å |
| 1317 | R | 81.4 | Confident | 78.8 | Confident | 62 Ų | 62 | 42 Ų | 42 | 23% | 0.234 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -59.9 | -37.9 | 177.6 | -80.2 | -167.8 | 67.2 | 179.5 | 0.6 | 113.3 | N1313 Y1314 V1319 D1321 W1349 | N1313-R1317 WeakPolarHBondContact O-CB 3.49Å; N1313-R1317 WeakPolarHBondContact O-CG 3.32Å; N1313-R1317 PolarHBondContact O-N 2.96Å; Y1314-R1317 PolarHBondContact O-N 2.91Å; R1317-V1319 PolarHBondContact O-N 3.31Å; R1317-V1319 VanDerWaalsContact O-N 3.1Å; R1317-D1321 IonicContact CZ-OD2 3.3Å; R1317-D1321 VanDerWaalsContact CZ-OD2 3.32Å; R1317-D1321 IonicContact NE-OD2 3.83Å; R1317-D1321 PolarHBondContact NE-OD2 3.13Å; R1317-D1321 IonicContact NH2-OD2 3.54Å; R1317-D1321 PolarHBondContact NH2-OD2 2.99Å; R1317-D1321 WeakPolarHBondContact O-CB 3.43Å; R1317-D1321 PolarHBondContact O-N 3.26Å; R1317-W1349 HydrophobicContact CG-CE3 3.77Å; R1317-W1349 HydrophobicContact CG-CZ3 4.2Å |
| 1318 | Q | 75.1 | Confident | 77.8 | Confident | 123 Ų | 123 | 43.9 Ų | 43.9 | 58% | 0.575 | 22% | 0.222 | S | C | * | . | H | α-helix | trans | -59 | -26.1 | 178.1 | -168.5 | 172.1 | 19.8 | 0 | 0 | 112.9 | Y1314 Q1315 F1316 | Y1314-Q1318 PolarHBondContact O-N 3.14Å; Q1315-Q1318 PolarHBondContact O-N 3.14Å; F1316-Q1318 VanDerWaalsContact C-N 3.3Å; F1316-Q1318 PolarHBondContact O-N 3.46Å |
| 1319 | V | 71.2 | Confident | 77.2 | Confident | 24 Ų | 24 | 44.8 Ų | 44.8 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -100.2 | -50 | -179.3 | 179.9 | 0 | 0 | 0 | 0 | 111.4 | A1126 I1129 F1316 R1317 S1322 | A1126-V1319 HydrophobicContact CB-CG1 3.41Å; A1126-V1319 VanDerWaalsContact CB-CG1 3.41Å; I1129-V1319 HydrophobicContact CD1-CG2 3.56Å; F1316-V1319 PolarHBondContact O-N 3.5Å; R1317-V1319 PolarHBondContact O-N 3.31Å; R1317-V1319 VanDerWaalsContact O-N 3.1Å; V1319-S1322 WeakPolarHBondContact O-CB 3.26Å; V1319-S1322 PolarHBondContact O-N 2.89Å |
| 1320 | C | 75.2 | Confident | 76.6 | Confident | 2 Ų | 2 | 50.5 Ų | 50.5 | 1% | 0.014 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -77.5 | -22 | -172.2 | -56.1 | 0 | 0 | 0 | 0 | 113.7 | F1316 S1322 C1337 W1349 | F1316-C1320 VanDerWaalsContact O-CB 3.28Å; F1316-C1320 WeakPolarHBondContact O-CB 3.49Å; F1316-C1320 PolarHBondContact O-N 3.35Å; F1316-C1320 PolarHBondContact O-SG 3.44Å; C1320-S1322 PolarHBondContact O-N 3.25Å; C1320-C1337 WeakPolarHBondContact CA-SG 3.3Å; C1320-C1337 HydrophobicContact CB-CB 3.63Å; C1320-C1337 WeakPolarHBondContact CB-SG 3.42Å; C1320-C1337 WeakPolarHBondContact SG-CB 3.26Å; C1320-C1337 CovalentContact SG-SG 2.04Å; C1320-C1337 PolarHBondContact SG-SG 3.05Å; C1320-W1349 HydrophobicContact CB-CD2 4.27Å; C1320-W1349 HydrophobicContact CB-CZ2 3.89Å |
| 1321 | D | 76.9 | Confident | 75.9 | Confident | 59 Ų | 59 | 53.8 Ų | 53.8 | 32% | 0.316 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.4 | -2.7 | 172 | -73.8 | -17.3 | 0 | 0 | 0 | 112 | R1317 W1349 | R1317-D1321 IonicContact CZ-OD2 3.3Å; R1317-D1321 VanDerWaalsContact CZ-OD2 3.32Å; R1317-D1321 IonicContact NE-OD2 3.83Å; R1317-D1321 PolarHBondContact NE-OD2 3.13Å; R1317-D1321 IonicContact NH2-OD2 3.54Å; R1317-D1321 PolarHBondContact NH2-OD2 2.99Å; R1317-D1321 WeakPolarHBondContact O-CB 3.43Å; R1317-D1321 PolarHBondContact O-N 3.26Å; D1321-W1349 WeakPolarHBondContact OD1-CH2 3.46Å; D1321-W1349 VanDerWaalsContact OD1-CZ3 3.24Å; D1321-W1349 WeakPolarHBondContact OD1-CZ3 3.36Å |
| 1322 | S | 72.7 | Confident | 74.8 | Confident | 44 Ų | 44 | 59.9 Ų | 59.9 | 31% | 0.308 | 31% | 0.313 | S | S | . | . | trans | -60.4 | 129.3 | 174.1 | 172.1 | 0 | 0 | 0 | 0 | 110.7 | V1319 C1320 L1324 V1325 Q1326 | V1319-S1322 WeakPolarHBondContact O-CB 3.26Å; V1319-S1322 PolarHBondContact O-N 2.89Å; C1320-S1322 PolarHBondContact O-N 3.25Å; S1322-L1324 PolarHBondContact O-N 3.03Å; S1322-L1324 VanDerWaalsContact O-N 3.13Å; S1322-L1324 PolarHBondContact OG-N 3.46Å; S1322-V1325 PolarHBondContact O-N 2.88Å; S1322-Q1326 PolarHBondContact O-N 2.97Å; S1322-Q1326 VanDerWaalsContact O-N 3.08Å | ||
| 1323 | P | 73.4 | Confident | 73.8 | Confident | 106 Ų | 106 | 64.5 Ų | 64.5 | 69% | 0.688 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.5 | -29 | 180 | 21.8 | -31.1 | 0 | 0 | 0 | 112.4 | F1327 | P1323-F1327 WeakPolarHBondContact O-CB 3.04Å; P1323-F1327 PolarHBondContact O-N 3.39Å |
| 1324 | L | 66.9 | Low | 72.7 | Confident | 79 Ų | 79 | 69.2 Ų | 69.2 | 41% | 0.414 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.8 | -39.5 | 175.7 | -162.7 | 91.6 | 0 | 0 | 0 | 112.1 | E1123 S1322 F1327 L1328 | E1123-L1324 HydrophobicContact CG-CD2 4.48Å; S1322-L1324 PolarHBondContact O-N 3.03Å; S1322-L1324 VanDerWaalsContact O-N 3.13Å; S1322-L1324 PolarHBondContact OG-N 3.46Å; L1324-F1327 WeakPolarHBondContact O-CB 3.1Å; L1324-F1327 PolarHBondContact O-N 2.94Å; L1324-L1328 HydrophobicContact CD2-CD1 4.49Å; L1324-L1328 WeakPolarHBondContact O-CG 3.35Å; L1324-L1328 PolarHBondContact O-N 3.37Å |
| 1325 | V | 69.3 | Low | 71.9 | Confident | 12 Ų | 12 | 69.4 Ų | 69.4 | 7% | 0.073 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -73.4 | -40.3 | -179.4 | 178.3 | 0 | 0 | 0 | 0 | 110.6 | S1322 F1327 L1328 C1329 C1337 | S1322-V1325 PolarHBondContact O-N 2.88Å; V1325-F1327 VanDerWaalsContact C-N 3.27Å; V1325-F1327 PolarHBondContact O-N 3.41Å; V1325-L1328 WeakPolarHBondContact O-CB 3.48Å; V1325-L1328 PolarHBondContact O-N 3.3Å; V1325-C1329 PolarHBondContact O-N 3.11Å; V1325-C1329 PolarHBondContact O-SG 3.07Å; V1325-C1329 VanDerWaalsContact O-SG 3.36Å; V1325-C1337 HydrophobicContact CG1-CB 3.54Å |
| 1326 | Q | 73.3 | Confident | 71.3 | Confident | 101 Ų | 101 | 69.2 Ų | 69.2 | 47% | 0.472 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -59.7 | -39.9 | 171.2 | -77.2 | -174.2 | -10.4 | 0 | 0 | 112 | S1322 C1329 L1330 | S1322-Q1326 PolarHBondContact O-N 2.97Å; S1322-Q1326 VanDerWaalsContact O-N 3.08Å; Q1326-C1329 PolarHBondContact O-N 2.86Å; Q1326-L1330 PolarHBondContact O-N 3.33Å |
| 1327 | F | 73.9 | Confident | 71.1 | Confident | 133 Ų | 133 | 69 Ų | 69 | 58% | 0.583 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -63.1 | -46.2 | 173.3 | -177.2 | -97 | 0 | 0 | 0 | 111.7 | P1323 L1324 V1325 C1329 L1330 V1331 | P1323-F1327 WeakPolarHBondContact O-CB 3.04Å; P1323-F1327 PolarHBondContact O-N 3.39Å; L1324-F1327 WeakPolarHBondContact O-CB 3.1Å; L1324-F1327 PolarHBondContact O-N 2.94Å; V1325-F1327 VanDerWaalsContact C-N 3.27Å; V1325-F1327 PolarHBondContact O-N 3.41Å; F1327-C1329 PolarHBondContact O-N 3.23Å; F1327-L1330 WeakPolarHBondContact O-CA 3.31Å; F1327-L1330 WeakPolarHBondContact O-CB 3.35Å; F1327-L1330 PolarHBondContact O-N 3.06Å; F1327-V1331 HydrophobicContact CD1-CG2 4.05Å; F1327-V1331 HydrophobicContact CE1-CG2 3.61Å; F1327-V1331 HydrophobicContact CE2-CG2 4.32Å; F1327-V1331 HydrophobicContact CZ-CG2 3.76Å; F1327-V1331 WeakPolarHBondContact O-CG2 3.28Å; F1327-V1331 PolarHBondContact O-N 3.07Å |
| 1328 | L | 69.6 | Low | 70.8 | Confident | 42 Ų | 42 | 66.2 Ų | 66.2 | 22% | 0.22 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -55.4 | -38.2 | 175.6 | -81.6 | 154.3 | 0 | 0 | 0 | 112.8 | L1324 V1325 L1330 V1331 Q1333 | L1324-L1328 HydrophobicContact CD2-CD1 4.49Å; L1324-L1328 WeakPolarHBondContact O-CG 3.35Å; L1324-L1328 PolarHBondContact O-N 3.37Å; V1325-L1328 WeakPolarHBondContact O-CB 3.48Å; V1325-L1328 PolarHBondContact O-N 3.3Å; L1328-L1330 VanDerWaalsContact C-N 3.3Å; L1328-L1330 PolarHBondContact O-N 3.41Å; L1328-V1331 PolarHBondContact O-N 3.17Å; L1328-Q1333 HydrophobicContact CD2-CB 4.25Å; L1328-Q1333 HydrophobicContact CD2-CG 4.46Å; L1328-Q1333 PolarHBondContact O-N 2.81Å |
| 1329 | C | 74 | Confident | 70.3 | Confident | 35 Ų | 35 | 64.4 Ų | 64.4 | 24% | 0.236 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -67.3 | -27.2 | 174.8 | -65.4 | 0 | 0 | 0 | 0 | 114 | V1325 Q1326 F1327 C1338 | V1325-C1329 PolarHBondContact O-N 3.11Å; V1325-C1329 PolarHBondContact O-SG 3.07Å; V1325-C1329 VanDerWaalsContact O-SG 3.36Å; Q1326-C1329 PolarHBondContact O-N 2.86Å; F1327-C1329 PolarHBondContact O-N 3.23Å; C1329-C1338 WeakPolarHBondContact CA-SG 3.48Å; C1329-C1338 HydrophobicContact CB-CB 3.77Å; C1329-C1338 WeakPolarHBondContact CB-SG 3.19Å; C1329-C1338 WeakPolarHBondContact SG-CA 3.46Å; C1329-C1338 WeakPolarHBondContact SG-CB 3.26Å; C1329-C1338 CovalentContact SG-SG 2.03Å; C1329-C1338 PolarHBondContact SG-SG 3.48Å |
| 1330 | L | 75.6 | Confident | 70.1 | Confident | 147 Ų | 147 | 73.2 Ų | 73.2 | 77% | 0.77 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -77.2 | -23.8 | 174.6 | -78 | 158.2 | 0 | 0 | 0 | 112.7 | Q1326 F1327 L1328 D1332 | Q1326-L1330 PolarHBondContact O-N 3.33Å; F1327-L1330 WeakPolarHBondContact O-CA 3.31Å; F1327-L1330 WeakPolarHBondContact O-CB 3.35Å; F1327-L1330 PolarHBondContact O-N 3.06Å; L1328-L1330 VanDerWaalsContact C-N 3.3Å; L1328-L1330 PolarHBondContact O-N 3.41Å; L1330-D1332 VanDerWaalsContact C-N 3.32Å |
| 1331 | V | 72.7 | Confident | 69.6 | Low | 83 Ų | 83 | 76.1 Ų | 76.1 | 50% | 0.503 | 41% | 0.406 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | 18 | -179.6 | -161.2 | 0 | 0 | 0 | 0 | 112.2 | F1327 L1328 Q1333 | F1327-V1331 HydrophobicContact CD1-CG2 4.05Å; F1327-V1331 HydrophobicContact CE1-CG2 3.61Å; F1327-V1331 HydrophobicContact CE2-CG2 4.32Å; F1327-V1331 HydrophobicContact CZ-CG2 3.76Å; F1327-V1331 WeakPolarHBondContact O-CG2 3.28Å; F1327-V1331 PolarHBondContact O-N 3.07Å; L1328-V1331 PolarHBondContact O-N 3.17Å; V1331-Q1333 PolarHBondContact O-N 2.97Å; V1331-Q1333 VanDerWaalsContact O-N 3.13Å |
| 1332 | D | 62.3 | Low | 69.1 | Low | 128 Ų | 128 | 74 Ų | 74 | 68% | 0.684 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.6 | 27.9 | 174.6 | -120.8 | 4.7 | 0 | 0 | 0 | 114.4 | L1330 | L1330-D1332 VanDerWaalsContact C-N 3.32Š|
| 1333 | Q | 59.8 | Low | 68.6 | Low | 115 Ų | 115 | 78.2 Ų | 78.2 | 54% | 0.537 | 42% | 0.415 | S | S | . | . | trans | -82.6 | 118.9 | 167.3 | -74 | -159.6 | -16.9 | 0 | 0 | 109.4 | L1328 V1331 N1335 | L1328-Q1333 HydrophobicContact CD2-CB 4.25Å; L1328-Q1333 HydrophobicContact CD2-CG 4.46Å; L1328-Q1333 PolarHBondContact O-N 2.81Å; V1331-Q1333 PolarHBondContact O-N 2.97Å; V1331-Q1333 VanDerWaalsContact O-N 3.13Å; Q1333-N1335 PolarHBondContact O-N 3.44Å | ||
| 1334 | V | 62.4 | Low | 67.9 | Low | 100 Ų | 100 | 77 Ų | 77 | 61% | 0.606 | 41% | 0.407 | S | S | * | . | trans | -56.8 | 109.1 | 176.3 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | D1343 | V1334-D1343 WeakPolarHBondContact CG1-O 3.38Š| ||
| 1335 | N | 66.4 | Low | 67.7 | Low | 25 Ų | 25 | 76.3 Ų | 76.3 | 13% | 0.134 | 40% | 0.401 | C | S | . | . | trans | -140.5 | 143 | -175.5 | -152.2 | -10.8 | 0 | 0 | 0 | 109 | D1130 Q1333 C1337 C1338 | D1130-N1335 PolarHBondContact OD1-OD1 2.92Å; D1130-N1335 PolarHBondContact OD2-OD1 3.22Å; Q1333-N1335 PolarHBondContact O-N 3.44Å; N1335-C1337 PolarHBondContact O-N 3.47Å; N1335-C1337 VanDerWaalsContact O-N 3.1Å; N1335-C1338 PolarHBondContact O-N 3.28Å | ||
| 1336 | A | 66.7 | Low | 67.7 | Low | 18 Ų | 18 | 77.4 Ų | 77.4 | 15% | 0.149 | 41% | 0.409 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -25.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1130 C1338 F1345 A1347 | D1130-A1336 WeakPolarHBondContact OD1-CB 3.45Å; D1130-A1336 PolarHBondContact OD1-N 3.32Å; A1336-C1338 VanDerWaalsContact C-N 3.34Å; A1336-C1338 PolarHBondContact O-N 3.32Å; A1336-F1345 WeakPolarHBondContact CA-O 3.43Å; A1336-F1345 WeakPolarHBondContact CB-O 3.38Å; A1336-A1347 HydrophobicContact CB-CB 4.35Å; A1336-A1347 VanDerWaalsContact O-CB 3.3Å; A1336-A1347 WeakPolarHBondContact O-CB 3.23Å; A1336-A1347 PolarHBondContact O-N 2.92Å |
| 1337 | C | 74.1 | Confident | 67.5 | Low | 12 Ų | 12 | 73 Ų | 73 | 8% | 0.081 | 39% | 0.389 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -14.8 | 177.6 | -73.9 | 0 | 0 | 0 | 0 | 115 | C1320 V1325 N1335 L1339 W1349 | C1320-C1337 WeakPolarHBondContact CA-SG 3.3Å; C1320-C1337 HydrophobicContact CB-CB 3.63Å; C1320-C1337 WeakPolarHBondContact CB-SG 3.42Å; C1320-C1337 WeakPolarHBondContact SG-CB 3.26Å; C1320-C1337 CovalentContact SG-SG 2.04Å; C1320-C1337 PolarHBondContact SG-SG 3.05Å; V1325-C1337 HydrophobicContact CG1-CB 3.54Å; N1335-C1337 PolarHBondContact O-N 3.47Å; N1335-C1337 VanDerWaalsContact O-N 3.1Å; C1337-L1339 PolarHBondContact O-N 3.1Å; C1337-W1349 PolarHBondContact O-NE1 3.07Å |
| 1338 | C | 74.9 | Confident | 67.5 | Low | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.02 | 38% | 0.379 | C | S | . | . | S | Bend | trans | -85.8 | 97.3 | -173.4 | -50.8 | 0 | 0 | 0 | 0 | 111.6 | C1329 N1335 A1336 K1340 T1341 C1342 | C1329-C1338 WeakPolarHBondContact CA-SG 3.48Å; C1329-C1338 HydrophobicContact CB-CB 3.77Å; C1329-C1338 WeakPolarHBondContact CB-SG 3.19Å; C1329-C1338 WeakPolarHBondContact SG-CA 3.46Å; C1329-C1338 WeakPolarHBondContact SG-CB 3.26Å; C1329-C1338 CovalentContact SG-SG 2.03Å; C1329-C1338 PolarHBondContact SG-SG 3.48Å; N1335-C1338 PolarHBondContact O-N 3.28Å; A1336-C1338 VanDerWaalsContact C-N 3.34Å; A1336-C1338 PolarHBondContact O-N 3.32Å; C1338-K1340 PolarHBondContact O-N 3.49Å; C1338-T1341 VanDerWaalsContact CB-OG1 3.23Å; C1338-T1341 WeakPolarHBondContact CB-OG1 3.28Å; C1338-T1341 PolarHBondContact O-N 3.04Å; C1338-C1342 PolarHBondContact O-N 3.45Å; C1338-C1342 PolarHBondContact O-SG 2.92Å |
| 1339 | L | 65.9 | Low | 68.1 | Low | 85 Ų | 85 | 70.5 Ų | 70.5 | 45% | 0.445 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.1 | 113.9 | 177.2 | -80.7 | 144.3 | 0 | 0 | 0 | 110.3 | C1337 W1349 | C1337-L1339 PolarHBondContact O-N 3.1Å; L1339-W1349 HydrophobicContact CD1-CD2 4.22Å; L1339-W1349 HydrophobicContact CD1-CG 4.41Å; L1339-W1349 HydrophobicContact CD1-CZ2 4.2Å |
| 1340 | K | 65.3 | Low | 68.6 | Low | 208 Ų | 208 | 69.4 Ų | 69.4 | 90% | 0.904 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 93 | -15.2 | 177.6 | -54 | 171.5 | -179.1 | 177.5 | 0 | 117.6 | C1338 | C1338-K1340 PolarHBondContact O-N 3.49Š|
| 1341 | T | 65.3 | Low | 68.9 | Low | 64 Ų | 64 | 66.6 Ų | 66.6 | 39% | 0.393 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | 1.4 | -179.8 | 48 | 0 | 0 | 0 | 0 | 113.9 | C1338 | C1338-T1341 VanDerWaalsContact CB-OG1 3.23Å; C1338-T1341 WeakPolarHBondContact CB-OG1 3.28Å; C1338-T1341 PolarHBondContact O-N 3.04Å |
| 1342 | C | 67.5 | Low | 69.6 | Low | 15 Ų | 15 | 67.1 Ų | 67.1 | 10% | 0.101 | 36% | 0.359 | C | S | . | . | trans | -76.6 | 127.6 | 176.7 | 47 | 0 | 0 | 0 | 0 | 112.3 | C1338 C1346 | C1338-C1342 PolarHBondContact O-N 3.45Å; C1338-C1342 PolarHBondContact O-SG 2.92Å; C1342-C1346 VanDerWaalsContact C-SG 3.6Å; C1342-C1346 HydrophobicContact CB-CB 3.96Å; C1342-C1346 WeakPolarHBondContact CB-SG 3.27Å; C1342-C1346 PolarHBondContact O-SG 3.39Å; C1342-C1346 WeakPolarHBondContact SG-CA 3.45Å; C1342-C1346 WeakPolarHBondContact SG-CB 3.25Å; C1342-C1346 CovalentContact SG-SG 2.02Å; C1342-C1346 PolarHBondContact SG-SG 3.34Å | ||
| 1343 | D | 61.2 | Low | 70.6 | Confident | 132 Ų | 132 | 61.7 Ų | 61.7 | 71% | 0.706 | 33% | 0.329 | S | S | * | . | trans | -155.7 | 124.7 | 173.4 | -158.4 | 12.8 | 0 | 0 | 0 | 108.6 | V1334 | V1334-D1343 WeakPolarHBondContact CG1-O 3.38Š| ||
| 1344 | P | 58.6 | Low | 71.9 | Confident | 80 Ų | 80 | 59.6 Ų | 59.6 | 52% | 0.519 | 32% | 0.321 | S | S | . | . | S | Bend | cis | -89.1 | -8 | 9.6 | 4.7 | 11.7 | 0 | 0 | 0 | 116.4 | ||
| 1345 | F | 62 | Low | 73.2 | Confident | 65 Ų | 65 | 55.8 Ų | 55.8 | 29% | 0.285 | 30% | 0.299 | S | S | . | . | trans | -122.1 | 105.7 | -166.7 | -65.3 | -91 | 0 | 0 | 0 | 111 | I1132 P1279 A1336 | I1132-F1345 HydrophobicContact CD1-CZ 4.48Å; P1279-F1345 HydrophobicContact CB-CD1 3.26Å; P1279-F1345 HydrophobicContact CB-CE1 3.46Å; P1279-F1345 VanDerWaalsContact CB-CE1 3.46Å; P1279-F1345 HydrophobicContact CB-CG 4.24Å; P1279-F1345 HydrophobicContact CG-CD1 3.26Å; P1279-F1345 HydrophobicContact CG-CE1 3.64Å; P1279-F1345 HydrophobicContact CG-CG 4.41Å; A1336-F1345 WeakPolarHBondContact CA-O 3.43Å; A1336-F1345 WeakPolarHBondContact CB-O 3.38Å | ||
| 1346 | C | 69.6 | Low | 74.3 | Confident | 35 Ų | 35 | 61.8 Ų | 61.8 | 24% | 0.236 | 32% | 0.321 | C | S | . | . | trans | -103 | 129.7 | 179.2 | -74.6 | 0 | 0 | 0 | 0 | 113.2 | C1342 Y1348 | C1342-C1346 VanDerWaalsContact C-SG 3.6Å; C1342-C1346 HydrophobicContact CB-CB 3.96Å; C1342-C1346 WeakPolarHBondContact CB-SG 3.27Å; C1342-C1346 PolarHBondContact O-SG 3.39Å; C1342-C1346 WeakPolarHBondContact SG-CA 3.45Å; C1342-C1346 WeakPolarHBondContact SG-CB 3.25Å; C1342-C1346 CovalentContact SG-SG 2.02Å; C1342-C1346 PolarHBondContact SG-SG 3.34Å; C1346-Y1348 HydrophobicContact CB-CE2 4.29Å | ||
| 1347 | A | 69.7 | Low | 75 | Confident | 7 Ų | 7 | 67.6 Ų | 67.6 | 6% | 0.058 | 35% | 0.345 | C | S | . | . | trans | -91 | 113.3 | 167 | 0 | 0 | 0 | 0 | 0 | 110.1 | F1316 A1336 W1349 | F1316-A1347 HydrophobicContact CD1-CB 3.85Å; F1316-A1347 HydrophobicContact CD2-CB 4.11Å; F1316-A1347 HydrophobicContact CE1-CB 3.68Å; F1316-A1347 HydrophobicContact CE2-CB 3.92Å; F1316-A1347 HydrophobicContact CG-CB 4.08Å; F1316-A1347 HydrophobicContact CZ-CB 3.72Å; A1336-A1347 HydrophobicContact CB-CB 4.35Å; A1336-A1347 VanDerWaalsContact O-CB 3.3Å; A1336-A1347 WeakPolarHBondContact O-CB 3.23Å; A1336-A1347 PolarHBondContact O-N 2.92Å; A1347-W1349 PolarHBondContact O-N 3Å | ||
| 1348 | Y | 74.8 | Confident | 75.1 | Confident | 93 Ų | 93 | 70.1 Ų | 70.1 | 37% | 0.365 | 36% | 0.357 | S | S | . | . | trans | -83.9 | 108.7 | 175.7 | -63.2 | -78.9 | 0 | 0 | 0 | 110.2 | C1346 L1358 | C1346-Y1348 HydrophobicContact CB-CE2 4.29Å; Y1348-L1358 HydrophobicContact CD1-CB 3.96Å; Y1348-L1358 HydrophobicContact CD1-CD2 4.21Å; Y1348-L1358 HydrophobicContact CD2-CD2 4.23Å; Y1348-L1358 HydrophobicContact CE1-CD2 4.33Å; Y1348-L1358 HydrophobicContact CE2-CD2 4.36Å; Y1348-L1358 HydrophobicContact CG-CB 4.05Å; Y1348-L1358 HydrophobicContact CG-CD2 4.16Å | ||
| 1349 | W | 80.4 | Confident | 75.3 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 12% | 0.117 | 36% | 0.357 | C | S | . | . | trans | -134 | 155.5 | 178.1 | 69.4 | -83.3 | 0 | 0 | 0 | 111.1 | N1313 F1316 R1317 C1320 D1321 C1337 L1339 A1347 | N1313-W1349 VanDerWaalsContact OD1-CA 3.25Å; N1313-W1349 WeakPolarHBondContact OD1-CA 3.48Å; N1313-W1349 WeakPolarHBondContact OD1-CB 3.47Å; F1316-W1349 HydrophobicContact CB-CB 3.92Å; F1316-W1349 HydrophobicContact CB-CG 4.42Å; R1317-W1349 HydrophobicContact CG-CE3 3.77Å; R1317-W1349 HydrophobicContact CG-CZ3 4.2Å; C1320-W1349 HydrophobicContact CB-CD2 4.27Å; C1320-W1349 HydrophobicContact CB-CZ2 3.89Å; D1321-W1349 WeakPolarHBondContact OD1-CH2 3.46Å; D1321-W1349 VanDerWaalsContact OD1-CZ3 3.24Å; D1321-W1349 WeakPolarHBondContact OD1-CZ3 3.36Å; C1337-W1349 PolarHBondContact O-NE1 3.07Å; L1339-W1349 HydrophobicContact CD1-CD2 4.22Å; L1339-W1349 HydrophobicContact CD1-CG 4.41Å; L1339-W1349 HydrophobicContact CD1-CZ2 4.2Å; A1347-W1349 PolarHBondContact O-N 3Å | ||
| 1350 | T | 85.1 | Confident | 76.3 | Confident | 11 Ų | 11 | 66.4 Ų | 66.4 | 7% | 0.067 | 34% | 0.34 | C | S | . | . | trans | -142.1 | 146.3 | -179.9 | -174.7 | 0 | 0 | 0 | 0 | 111.6 | N1313 N1352 | N1313-T1350 PolarHBondContact ND2-O 3.22Å; N1313-T1350 PolarHBondContact OD1-N 3.15Å; N1313-T1350 PolarHBondContact OD1-O 3.38Å; T1350-N1352 VanDerWaalsContact CG2-O 3.28Å; T1350-N1352 WeakPolarHBondContact CG2-O 3.46Å; T1350-N1352 PolarHBondContact OG1-N 2.94Å; T1350-N1352 PolarHBondContact OG1-O 3.41Å | ||
| 1351 | S | 82.2 | Confident | 77.5 | Confident | 89 Ų | 89 | 56.8 Ų | 56.8 | 62% | 0.622 | 30% | 0.299 | S | S | * | . | S | Bend | trans | -72.7 | -33.4 | 174.5 | 51.9 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1352 | N | 86.4 | Confident | 78.7 | Confident | 93 Ų | 93 | 54 Ų | 54 | 50% | 0.497 | 28% | 0.282 | S | S | . | . | trans | -101.6 | 102.4 | 177.2 | -172.7 | -5.1 | 0 | 0 | 0 | 110.8 | T1350 L1354 S1355 | T1350-N1352 VanDerWaalsContact CG2-O 3.28Å; T1350-N1352 WeakPolarHBondContact CG2-O 3.46Å; T1350-N1352 PolarHBondContact OG1-N 2.94Å; T1350-N1352 PolarHBondContact OG1-O 3.41Å; N1352-L1354 PolarHBondContact O-N 3.33Å; N1352-L1354 VanDerWaalsContact O-N 3.14Å; N1352-L1354 PolarHBondContact OD1-N 3.34Å; N1352-L1354 VanDerWaalsContact OD1-N 3.15Å; N1352-S1355 VanDerWaalsContact O-CB 3.3Å; N1352-S1355 WeakPolarHBondContact O-CB 3.1Å; N1352-S1355 PolarHBondContact O-N 2.92Å; N1352-S1355 PolarHBondContact O-OG 2.95Å | ||
| 1353 | E | 84 | Confident | 79.9 | Confident | 14 Ų | 14 | 54.1 Ų | 54.1 | 7% | 0.065 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -21.7 | -178.5 | -66.3 | 176.1 | -175.4 | 0 | 0 | 113.5 | R1222 N1225 L1310 G1360 V1361 | R1222-E1353 WeakPolarHBondContact CD-OE1 3.37Å; R1222-E1353 WeakPolarHBondContact CG-OE1 3.21Å; R1222-E1353 IonicContact NE-OE1 3.23Å; R1222-E1353 PolarHBondContact NE-OE1 2.84Å; R1222-E1353 VanDerWaalsContact NE-OE1 3.11Å; N1225-E1353 PolarHBondContact ND2-OE2 2.73Å; L1310-E1353 HydrophobicContact CD2-CB 4.14Å; L1310-E1353 HydrophobicContact CD2-CG 4.3Å; E1353-G1360 WeakPolarHBondContact O-CA 3.46Å; E1353-V1361 PolarHBondContact O-N 3.49Å |
| 1354 | L | 88.1 | Confident | 81.4 | Confident | 72 Ų | 72 | 48 Ų | 48 | 38% | 0.377 | 25% | 0.252 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | 3.9 | 177.6 | -65.4 | 172 | 0 | 0 | 0 | 113.6 | N1352 L1365 | N1352-L1354 PolarHBondContact O-N 3.33Å; N1352-L1354 VanDerWaalsContact O-N 3.14Å; N1352-L1354 PolarHBondContact OD1-N 3.34Å; N1352-L1354 VanDerWaalsContact OD1-N 3.15Å; L1354-L1365 HydrophobicContact CD2-CD1 3.59Å |
| 1355 | S | 89.3 | Confident | 83.1 | Confident | 19 Ų | 19 | 45.2 Ų | 45.2 | 13% | 0.133 | 23% | 0.232 | C | C | . | . | trans | -67.7 | 161.6 | 179.6 | 80.7 | 0 | 0 | 0 | 0 | 112.8 | N1352 E1357 G1360 G1362 | N1352-S1355 VanDerWaalsContact O-CB 3.3Å; N1352-S1355 WeakPolarHBondContact O-CB 3.1Å; N1352-S1355 PolarHBondContact O-N 2.92Å; N1352-S1355 PolarHBondContact O-OG 2.95Å; S1355-E1357 VanDerWaalsContact C-N 3.34Å; S1355-E1357 PolarHBondContact OG-N 2.96Å; S1355-G1360 CarbonylContact O-C 3.55Å; S1355-G1360 WeakPolarHBondContact O-CA 3.41Å; S1355-G1362 PolarHBondContact O-N 3.46Å | ||
| 1356 | Y | 88.3 | Confident | 84.6 | Confident | 151 Ų | 151 | 44.7 Ų | 44.7 | 59% | 0.592 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -88.2 | -2.8 | 171.5 | -68.8 | -93 | 0 | 0 | 0 | 112.7 | A1363 T1366 | Y1356-A1363 HydrophobicContact CD1-CB 4.48Å; Y1356-T1366 HydrophobicContact CE1-CG2 3.91Å; Y1356-T1366 WeakPolarHBondContact OH-CG2 3.22Å |
| 1357 | E | 82.5 | Confident | 85.8 | Confident | 140 Ų | 140 | 43.6 Ų | 43.6 | 65% | 0.654 | 23% | 0.228 | S | C | * | . | S | Bend | trans | -75.6 | 159.3 | 178.2 | -62.5 | -172.4 | 166 | 0 | 0 | 111 | S1355 G1359 G1360 | S1355-E1357 VanDerWaalsContact C-N 3.34Å; S1355-E1357 PolarHBondContact OG-N 2.96Å; E1357-G1359 PolarHBondContact O-N 3.17Å; E1357-G1359 VanDerWaalsContact O-N 3.11Å; E1357-G1360 PolarHBondContact O-N 2.87Å |
| 1358 | L | 76.8 | Confident | 87 | Confident | 66 Ų | 66 | 43.3 Ų | 43.3 | 35% | 0.346 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 118.4 | 175.8 | -83.1 | 86.4 | 0 | 0 | 0 | 109.4 | V1288 Y1348 | V1288-L1358 HydrophobicContact CG2-CD2 3.85Å; Y1348-L1358 HydrophobicContact CD1-CB 3.96Å; Y1348-L1358 HydrophobicContact CD1-CD2 4.21Å; Y1348-L1358 HydrophobicContact CD2-CD2 4.23Å; Y1348-L1358 HydrophobicContact CE1-CD2 4.33Å; Y1348-L1358 HydrophobicContact CE2-CD2 4.36Å; Y1348-L1358 HydrophobicContact CG-CB 4.05Å; Y1348-L1358 HydrophobicContact CG-CD2 4.16Å |
| 1359 | G | 78 | Confident | 87.9 | Confident | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.021 | 23% | 0.231 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 122.3 | -28.5 | -169.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1357 | E1357-G1359 PolarHBondContact O-N 3.17Å; E1357-G1359 VanDerWaalsContact O-N 3.11Å |
| 1360 | G | 86.9 | Confident | 88.6 | Confident | 8 Ų | 8 | 46.7 Ų | 46.7 | 8% | 0.082 | 25% | 0.251 | C | S | . | . | trans | -95.6 | 168.7 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.4 | E1353 S1355 E1357 | E1353-G1360 WeakPolarHBondContact O-CA 3.46Å; S1355-G1360 CarbonylContact O-C 3.55Å; S1355-G1360 WeakPolarHBondContact O-CA 3.41Å; E1357-G1360 PolarHBondContact O-N 2.87Å | ||
| 1361 | V | 90.8 | Very high | 89.1 | Confident | 6 Ų | 6 | 46.8 Ų | 46.8 | 4% | 0.036 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -107.5 | 3.1 | -177.3 | -159.2 | 0 | 0 | 0 | 0 | 112.4 | L1229 L1310 E1353 A1363 H1364 L1365 | L1229-V1361 HydrophobicContact CD1-CG1 4.1Å; L1310-V1361 HydrophobicContact CD1-CG2 4.4Å; L1310-V1361 HydrophobicContact CD2-CG2 3.64Å; L1310-V1361 HydrophobicContact CG-CG2 3.72Å; E1353-V1361 PolarHBondContact O-N 3.49Å; V1361-A1363 VanDerWaalsContact C-N 3.32Å; V1361-A1363 PolarHBondContact O-N 3.48Å; V1361-H1364 HydrophobicContact CG1-CB 3.86Å; V1361-H1364 WeakPolarHBondContact O-CB 3.42Å; V1361-H1364 PolarHBondContact O-N 2.97Å; V1361-L1365 PolarHBondContact O-N 3.37Å |
| 1362 | G | 91.3 | Very high | 89.6 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 4% | 0.041 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59 | -37.5 | -173.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | S1355 H1364 L1365 T1366 | S1355-G1362 PolarHBondContact O-N 3.46Å; G1362-H1364 PolarHBondContact O-N 3.08Å; G1362-L1365 PolarHBondContact O-N 3.48Å; G1362-T1366 PolarHBondContact O-N 2.85Å; G1362-T1366 PolarHBondContact O-OG1 3.01Å; G1362-T1366 VanDerWaalsContact O-OG1 3.05Å |
| 1363 | A | 91.9 | Very high | 90 | Very high | 18 Ų | 18 | 44.5 Ų | 44.5 | 15% | 0.149 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.1 | -37.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | Y1292 Y1356 V1361 T1366 A1367 | Y1292-A1363 HydrophobicContact CE1-CB 4.13Å; Y1356-A1363 HydrophobicContact CD1-CB 4.48Å; V1361-A1363 VanDerWaalsContact C-N 3.32Å; V1361-A1363 PolarHBondContact O-N 3.48Å; A1363-T1366 PolarHBondContact O-OG1 3.43Å; A1363-A1367 WeakPolarHBondContact O-CB 3.09Å; A1363-A1367 PolarHBondContact O-N 3.42Å; A1363-A1367 VanDerWaalsContact O-N 3.15Å |
| 1364 | H | 93.5 | Very high | 90.4 | Very high | 4 Ų | 4 | 47.9 Ų | 47.9 | 2% | 0.019 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -67.4 | -42.9 | 178.1 | -51.1 | 69.3 | 0 | 0 | 0 | 111.1 | C1302 H1305 V1361 G1362 A1367 L1368 | C1302-H1364 HydrophobicContact CB-CB 4.37Å; H1305-H1364 AromaticContact CG-NE2 3.87Å; H1305-H1364 AromaticContact ND1-CE1 3.96Å; H1305-H1364 AromaticContact ND1-NE2 3.24Å; H1305-H1364 PolarHBondContact ND1-NE2 3.21Å; V1361-H1364 HydrophobicContact CG1-CB 3.86Å; V1361-H1364 WeakPolarHBondContact O-CB 3.42Å; V1361-H1364 PolarHBondContact O-N 2.97Å; G1362-H1364 PolarHBondContact O-N 3.08Å; H1364-A1367 PolarHBondContact O-N 3.11Å; H1364-L1368 VanDerWaalsContact O-CG 3.31Å; H1364-L1368 WeakPolarHBondContact O-CG 3.4Å; H1364-L1368 PolarHBondContact O-N 2.92Å |
| 1365 | L | 93.8 | Very high | 90.7 | Very high | 22 Ų | 22 | 46.5 Ų | 46.5 | 12% | 0.115 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -63.8 | -44.9 | -179.2 | -62.2 | 175.9 | 0 | 0 | 0 | 111.9 | I1228 L1229 L1232 L1354 V1361 G1362 L1368 L1369 | I1228-L1365 HydrophobicContact CG2-CD1 4.41Å; I1228-L1365 HydrophobicContact CG2-CD2 4.13Å; L1229-L1365 HydrophobicContact CB-CD2 4.23Å; L1229-L1365 HydrophobicContact CD1-CD2 3.79Å; L1232-L1365 HydrophobicContact CD1-CB 3.97Å; L1232-L1365 HydrophobicContact CD1-CD2 3.97Å; L1354-L1365 HydrophobicContact CD2-CD1 3.59Å; V1361-L1365 PolarHBondContact O-N 3.37Å; G1362-L1365 PolarHBondContact O-N 3.48Å; L1365-L1368 PolarHBondContact O-N 2.68Å; L1365-L1369 PolarHBondContact O-N 3.26Å; L1365-L1369 VanDerWaalsContact O-N 3.16Å |
| 1366 | T | 93.5 | Very high | 90.7 | Very high | 53 Ų | 53 | 47.1 Ų | 47.1 | 33% | 0.325 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.8 | -42.6 | 177.8 | 45.3 | 0 | 0 | 0 | 0 | 112.5 | Y1356 G1362 A1363 L1368 L1369 I1370 | Y1356-T1366 HydrophobicContact CE1-CG2 3.91Å; Y1356-T1366 WeakPolarHBondContact OH-CG2 3.22Å; G1362-T1366 PolarHBondContact O-N 2.85Å; G1362-T1366 PolarHBondContact O-OG1 3.01Å; G1362-T1366 VanDerWaalsContact O-OG1 3.05Å; A1363-T1366 PolarHBondContact O-OG1 3.43Å; T1366-L1368 PolarHBondContact O-N 3.32Å; T1366-L1369 PolarHBondContact O-N 3.16Å; T1366-I1370 WeakPolarHBondContact O-CG1 3.22Å; T1366-I1370 PolarHBondContact O-N 3.04Å; T1366-I1370 VanDerWaalsContact O-N 3.17Å |
| 1367 | A | 93.9 | Very high | 90.9 | Very high | 13 Ų | 13 | 42.3 Ų | 42.3 | 11% | 0.107 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -58.6 | -48.5 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1295 A1363 H1364 L1369 I1370 H1371 | I1295-A1367 HydrophobicContact CG2-CB 3.46Å; I1295-A1367 VanDerWaalsContact CG2-CB 3.46Å; A1363-A1367 WeakPolarHBondContact O-CB 3.09Å; A1363-A1367 PolarHBondContact O-N 3.42Å; A1363-A1367 VanDerWaalsContact O-N 3.15Å; H1364-A1367 PolarHBondContact O-N 3.11Å; A1367-L1369 VanDerWaalsContact C-N 3.28Å; A1367-L1369 PolarHBondContact O-N 2.94Å; A1367-I1370 PolarHBondContact O-N 3.34Å; A1367-I1370 VanDerWaalsContact O-N 3.16Å; A1367-H1371 PolarHBondContact O-CD2 3.42Å; A1367-H1371 PolarHBondContact O-N 2.98Å |
| 1368 | L | 95 | Very high | 91.2 | Very high | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -58.1 | -39.2 | 179.1 | -73.2 | 172.1 | 0 | 0 | 0 | 112.6 | L1229 L1232 F1233 A1236 P1299 C1302 H1364 L1365 T1366 H1371 G1372 | L1229-L1368 HydrophobicContact CD1-CD1 4.04Å; L1232-L1368 HydrophobicContact CB-CB 3.97Å; L1232-L1368 HydrophobicContact CB-CD1 4.22Å; F1233-L1368 HydrophobicContact CB-CD1 4.31Å; F1233-L1368 HydrophobicContact CD2-CD2 4.4Å; A1236-L1368 HydrophobicContact CB-CD2 3.89Å; A1236-L1368 WeakPolarHBondContact CB-O 3.19Å; P1299-L1368 HydrophobicContact CB-CD2 3.78Å; C1302-L1368 HydrophobicContact CB-CD1 4.23Å; C1302-L1368 HydrophobicContact CB-CD2 3.9Å; C1302-L1368 HydrophobicContact CB-CG 3.97Å; H1364-L1368 VanDerWaalsContact O-CG 3.31Å; H1364-L1368 WeakPolarHBondContact O-CG 3.4Å; H1364-L1368 PolarHBondContact O-N 2.92Å; L1365-L1368 PolarHBondContact O-N 2.68Å; T1366-L1368 PolarHBondContact O-N 3.32Å; L1368-H1371 PolarHBondContact O-N 3.13Å; L1368-G1372 PolarHBondContact O-N 3.27Å; L1368-G1372 VanDerWaalsContact O-N 3.1Å |
| 1369 | L | 95.1 | Very high | 91.8 | Very high | 92 Ų | 92 | 37.6 Ų | 37.6 | 48% | 0.482 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -64.6 | -43.4 | 178.4 | -150.7 | 152 | 0 | 0 | 0 | 111.4 | L1232 L1365 T1366 A1367 | L1232-L1369 HydrophobicContact CD2-CB 4.49Å; L1232-L1369 HydrophobicContact CD2-CD1 4.06Å; L1232-L1369 HydrophobicContact CD2-CG 4.22Å; L1365-L1369 PolarHBondContact O-N 3.26Å; L1365-L1369 VanDerWaalsContact O-N 3.16Å; T1366-L1369 PolarHBondContact O-N 3.16Å; A1367-L1369 VanDerWaalsContact C-N 3.28Å; A1367-L1369 PolarHBondContact O-N 2.94Å |
| 1370 | I | 94.8 | Very high | 92.3 | Very high | 104 Ų | 104 | 41.1 Ų | 41.1 | 53% | 0.533 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.1 | -66.1 | 168.5 | 0 | 0 | 0 | 110.9 | T1366 A1367 G1372 F1373 L1374 | T1366-I1370 WeakPolarHBondContact O-CG1 3.22Å; T1366-I1370 PolarHBondContact O-N 3.04Å; T1366-I1370 VanDerWaalsContact O-N 3.17Å; A1367-I1370 PolarHBondContact O-N 3.34Å; A1367-I1370 VanDerWaalsContact O-N 3.16Å; I1370-G1372 VanDerWaalsContact C-N 3.34Å; I1370-G1372 PolarHBondContact O-N 3.08Å; I1370-F1373 PolarHBondContact O-N 2.9Å; I1370-L1374 HydrophobicContact CG2-CD1 4.05Å; I1370-L1374 PolarHBondContact O-N 3.29Å |
| 1371 | H | 94.1 | Very high | 92.3 | Very high | 13 Ų | 13 | 44.1 Ų | 44.1 | 6% | 0.06 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.1 | -46.1 | 179 | -83.5 | -71.8 | 0 | 0 | 0 | 112.3 | A1236 I1295 A1296 P1299 A1367 L1368 F1373 L1374 Y1375 | A1236-H1371 HydrophobicContact CB-CB 3.86Å; I1295-H1371 PolarHBondContact O-NE2 3.42Å; A1296-H1371 PolarHBondContact O-CE1 2.95Å; A1296-H1371 PolarHBondContact O-NE2 3.45Å; P1299-H1371 HydrophobicContact CG-CB 4.35Å; A1367-H1371 PolarHBondContact O-CD2 3.42Å; A1367-H1371 PolarHBondContact O-N 2.98Å; L1368-H1371 PolarHBondContact O-N 3.13Å; H1371-F1373 VanDerWaalsContact C-N 3.34Å; H1371-F1373 PolarHBondContact O-N 2.93Å; H1371-L1374 PolarHBondContact O-N 3.5Å; H1371-Y1375 HydrophobicContact CB-CD2 4.09Å; H1371-Y1375 HydrophobicContact CB-CE2 3.81Å; H1371-Y1375 AromaticContact CG-CE2 3.92Å; H1371-Y1375 AromaticContact ND1-CE2 3.35Å; H1371-Y1375 VanDerWaalsContact ND1-CE2 3.35Å; H1371-Y1375 WeakPolarHBondContact ND1-CE2 3.46Å; H1371-Y1375 AromaticContact ND1-CZ 3.51Å; H1371-Y1375 PolarHBondContact ND1-OH 3.45Å; H1371-Y1375 WeakPolarHBondContact O-CB 3.4Å; H1371-Y1375 WeakPolarHBondContact O-CD2 3.22Å; H1371-Y1375 PolarHBondContact O-N 2.04Å |
| 1372 | G | 93.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -63.9 | -36.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1368 I1370 S1376 | L1368-G1372 PolarHBondContact O-N 3.27Å; L1368-G1372 VanDerWaalsContact O-N 3.1Å; I1370-G1372 VanDerWaalsContact C-N 3.34Å; I1370-G1372 PolarHBondContact O-N 3.08Å; G1372-S1376 WeakPolarHBondContact O-CB 3.3Å; G1372-S1376 PolarHBondContact O-N 2.72Å; G1372-S1376 VanDerWaalsContact O-N 3.1Å; G1372-S1376 PolarHBondContact O-OG 3.46Å |
| 1373 | F | 94.1 | Very high | 91 | Very high | 134 Ų | 134 | 48.1 Ų | 48.1 | 59% | 0.588 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -68.4 | -45.2 | 174.8 | -122 | -79.1 | 0 | 0 | 0 | 112 | W1235 I1370 H1371 S1377 | W1235-F1373 HydrophobicContact CZ2-CD2 4.35Å; I1370-F1373 PolarHBondContact O-N 2.9Å; H1371-F1373 VanDerWaalsContact C-N 3.34Å; H1371-F1373 PolarHBondContact O-N 2.93Å; F1373-S1377 WeakPolarHBondContact O-CB 3.43Å; F1373-S1377 PolarHBondContact O-N 3.39Å; F1373-S1377 VanDerWaalsContact O-N 3.11Å; F1373-S1377 PolarHBondContact O-OG 3.04Å |
| 1374 | L | 93.3 | Very high | 90.3 | Very high | 85 Ų | 85 | 48.2 Ų | 48.2 | 45% | 0.445 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62 | -52.1 | 179.3 | -110 | 160 | 0 | 0 | 0 | 111.6 | I1370 H1371 S1377 F1378 | I1370-L1374 HydrophobicContact CG2-CD1 4.05Å; I1370-L1374 PolarHBondContact O-N 3.29Å; H1371-L1374 PolarHBondContact O-N 3.5Å; L1374-S1377 PolarHBondContact O-N 3.28Å; L1374-F1378 HydrophobicContact CD2-CD2 4.26Å; L1374-F1378 HydrophobicContact CD2-CE2 3.5Å; L1374-F1378 HydrophobicContact CD2-CZ 3.74Å; L1374-F1378 WeakPolarHBondContact O-CD2 3.37Å; L1374-F1378 PolarHBondContact O-N 3.45Å |
| 1375 | Y | 93.7 | Very high | 89.1 | Confident | 42 Ų | 42 | 52.3 Ų | 52.3 | 17% | 0.165 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -68.2 | -39.1 | -177.8 | -64.5 | -44.2 | 0 | 0 | 0 | 112.5 | Q1240 L1243 I1297 P1299 H1371 S1377 F1378 V1379 | Q1240-Y1375 HydrophobicContact CB-CD2 3.79Å; Q1240-Y1375 HydrophobicContact CB-CE2 3.99Å; Q1240-Y1375 HydrophobicContact CB-CG 4.2Å; Q1240-Y1375 HydrophobicContact CG-CD2 4.41Å; Q1240-Y1375 HydrophobicContact CG-CE2 4.16Å; L1243-Y1375 HydrophobicContact CD1-CD1 3.95Å; L1243-Y1375 HydrophobicContact CD1-CG 4.37Å; I1297-Y1375 PolarHBondContact O-OH 3.45Å; P1299-Y1375 HydrophobicContact CG-CE2 3.88Å; H1371-Y1375 HydrophobicContact CB-CD2 4.09Å; H1371-Y1375 HydrophobicContact CB-CE2 3.81Å; H1371-Y1375 AromaticContact CG-CE2 3.92Å; H1371-Y1375 AromaticContact ND1-CE2 3.35Å; H1371-Y1375 VanDerWaalsContact ND1-CE2 3.35Å; H1371-Y1375 WeakPolarHBondContact ND1-CE2 3.46Å; H1371-Y1375 AromaticContact ND1-CZ 3.51Å; H1371-Y1375 PolarHBondContact ND1-OH 3.45Å; H1371-Y1375 WeakPolarHBondContact O-CB 3.4Å; H1371-Y1375 WeakPolarHBondContact O-CD2 3.22Å; H1371-Y1375 PolarHBondContact O-N 2.04Å; Y1375-S1377 VanDerWaalsContact C-N 3.3Å; Y1375-S1377 PolarHBondContact O-N 3.48Å; Y1375-F1378 HydrophobicContact CD1-CD2 4.4Å; Y1375-F1378 PolarHBondContact O-N 2.7Å; Y1375-V1379 WeakPolarHBondContact O-CG2 3.47Å; Y1375-V1379 PolarHBondContact O-N 3.06Å |
| 1376 | S | 91 | Very high | 87.9 | Confident | 32 Ų | 32 | 56.2 Ų | 56.2 | 22% | 0.224 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -60.7 | -41.2 | 174.9 | -63.1 | 0 | 0 | 0 | 0 | 112 | P1239 G1372 V1379 L1380 | P1239-S1376 VanDerWaalsContact CG-OG 3.23Å; P1239-S1376 WeakPolarHBondContact CG-OG 3.48Å; G1372-S1376 WeakPolarHBondContact O-CB 3.3Å; G1372-S1376 PolarHBondContact O-N 2.72Å; G1372-S1376 VanDerWaalsContact O-N 3.1Å; G1372-S1376 PolarHBondContact O-OG 3.46Å; S1376-V1379 PolarHBondContact O-N 3.1Å; S1376-L1380 PolarHBondContact O-N 3.15Å |
| 1377 | S | 90.8 | Very high | 86.7 | Confident | 50 Ų | 50 | 54.2 Ų | 54.2 | 35% | 0.35 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 175.5 | -58.6 | 0 | 0 | 0 | 0 | 111.5 | F1373 L1374 Y1375 V1379 L1380 I1381 | F1373-S1377 WeakPolarHBondContact O-CB 3.43Å; F1373-S1377 PolarHBondContact O-N 3.39Å; F1373-S1377 VanDerWaalsContact O-N 3.11Å; F1373-S1377 PolarHBondContact O-OG 3.04Å; L1374-S1377 PolarHBondContact O-N 3.28Å; Y1375-S1377 VanDerWaalsContact C-N 3.3Å; Y1375-S1377 PolarHBondContact O-N 3.48Å; S1377-V1379 PolarHBondContact O-N 2.9Å; S1377-L1380 PolarHBondContact O-N 3.23Å; S1377-I1381 VanDerWaalsContact O-CG1 3.28Å; S1377-I1381 WeakPolarHBondContact O-CG1 3.38Å; S1377-I1381 PolarHBondContact O-N 3.48Å |
| 1378 | F | 90.3 | Very high | 85.3 | Confident | 101 Ų | 101 | 58.1 Ų | 58.1 | 44% | 0.443 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.5 | -36.5 | 175.9 | -74.5 | -39.7 | 0 | 0 | 0 | 113.4 | L1243 L1374 Y1375 L1380 I1381 S1382 | L1243-F1378 HydrophobicContact CD1-CB 3.83Å; L1243-F1378 HydrophobicContact CD2-CB 4.03Å; L1374-F1378 HydrophobicContact CD2-CD2 4.26Å; L1374-F1378 HydrophobicContact CD2-CE2 3.5Å; L1374-F1378 HydrophobicContact CD2-CZ 3.74Å; L1374-F1378 WeakPolarHBondContact O-CD2 3.37Å; L1374-F1378 PolarHBondContact O-N 3.45Å; Y1375-F1378 HydrophobicContact CD1-CD2 4.4Å; Y1375-F1378 PolarHBondContact O-N 2.7Å; F1378-L1380 VanDerWaalsContact C-N 3.34Å; F1378-L1380 PolarHBondContact O-N 3.36Å; F1378-I1381 PolarHBondContact O-N 3.14Å; F1378-S1382 VanDerWaalsContact O-CB 3.3Å; F1378-S1382 WeakPolarHBondContact O-CB 3.23Å; F1378-S1382 PolarHBondContact O-N 3.24Å; F1378-S1382 PolarHBondContact O-OG 2.89Å |
| 1379 | V | 89.3 | Confident | 84 | Confident | 6 Ų | 6 | 63 Ų | 63 | 4% | 0.036 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.6 | 171 | 0 | 0 | 0 | 0 | 111.1 | W1187 P1239 L1243 R1246 Y1375 S1376 S1377 S1382 | W1187-V1379 HydrophobicContact CD2-CG1 3.51Å; W1187-V1379 HydrophobicContact CE3-CG1 3.73Å; W1187-V1379 HydrophobicContact CG-CG1 4.02Å; W1187-V1379 HydrophobicContact CH2-CG1 4Å; W1187-V1379 HydrophobicContact CZ2-CG1 3.79Å; W1187-V1379 HydrophobicContact CZ3-CG1 3.98Å; P1239-V1379 HydrophobicContact CB-CG2 4.3Å; P1239-V1379 WeakPolarHBondContact O-CG2 3.41Å; L1243-V1379 HydrophobicContact CD1-CG2 4.04Å; L1243-V1379 HydrophobicContact CD2-CG2 4.42Å; L1243-V1379 HydrophobicContact CG-CG2 3.73Å; R1246-V1379 PolarHBondContact NH2-O 3.25Å; Y1375-V1379 WeakPolarHBondContact O-CG2 3.47Å; Y1375-V1379 PolarHBondContact O-N 3.06Å; S1376-V1379 PolarHBondContact O-N 3.1Å; S1377-V1379 PolarHBondContact O-N 2.9Å; V1379-S1382 PolarHBondContact O-OG 3.18Å |
| 1380 | L | 87.4 | Confident | 82.8 | Confident | 76 Ų | 76 | 63 Ų | 63 | 40% | 0.398 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -69.8 | -44.3 | 178.9 | -70.6 | 171.9 | 0 | 0 | 0 | 112.5 | W1187 S1376 S1377 F1378 S1382 S1384 | W1187-L1380 HydrophobicContact CB-CD2 4.41Å; S1376-L1380 PolarHBondContact O-N 3.15Å; S1377-L1380 PolarHBondContact O-N 3.23Å; F1378-L1380 VanDerWaalsContact C-N 3.34Å; F1378-L1380 PolarHBondContact O-N 3.36Å; L1380-S1382 PolarHBondContact O-N 3.06Å; L1380-S1384 PolarHBondContact O-N 3.19Å |
| 1381 | I | 86.3 | Confident | 81.4 | Confident | 72 Ų | 72 | 65 Ų | 65 | 37% | 0.369 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.2 | -43.5 | -178.8 | -68.8 | 165.4 | 0 | 0 | 0 | 110.8 | S1377 F1378 D1383 S1384 I1386 G1387 | S1377-I1381 VanDerWaalsContact O-CG1 3.28Å; S1377-I1381 WeakPolarHBondContact O-CG1 3.38Å; S1377-I1381 PolarHBondContact O-N 3.48Å; F1378-I1381 PolarHBondContact O-N 3.14Å; I1381-D1383 VanDerWaalsContact C-N 3.33Å; I1381-D1383 PolarHBondContact O-N 3.48Å; I1381-S1384 WeakPolarHBondContact O-CB 3.4Å; I1381-S1384 PolarHBondContact O-N 3.43Å; I1381-S1384 PolarHBondContact O-OG 2.84Å; I1381-I1386 HydrophobicContact CG2-CG2 4.46Å; I1381-G1387 VanDerWaalsContact O-CA 3.23Å; I1381-G1387 WeakPolarHBondContact O-CA 3.47Å; I1381-G1387 PolarHBondContact O-N 3.17Å |
| 1382 | S | 78.9 | Confident | 79.9 | Confident | 42 Ų | 42 | 67.9 Ų | 67.9 | 29% | 0.294 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -64.1 | -30.6 | -174.6 | 45.7 | 0 | 0 | 0 | 0 | 115 | R1246 F1378 V1379 L1380 | R1246-S1382 PolarHBondContact NH1-OG 2.86Å; R1246-S1382 PolarHBondContact NH2-OG 3.47Å; F1378-S1382 VanDerWaalsContact O-CB 3.3Å; F1378-S1382 WeakPolarHBondContact O-CB 3.23Å; F1378-S1382 PolarHBondContact O-N 3.24Å; F1378-S1382 PolarHBondContact O-OG 2.89Å; V1379-S1382 PolarHBondContact O-OG 3.18Å; L1380-S1382 PolarHBondContact O-N 3.06Å |
| 1383 | D | 75.8 | Confident | 78.6 | Confident | 51 Ų | 51 | 71 Ų | 71 | 27% | 0.273 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -93.7 | -5.4 | 174.5 | -80.9 | 1.1 | 0 | 0 | 0 | 112.9 | K1173 L1183 W1187 R1246 I1381 | K1173-D1383 IonicContact NZ-OD1 2.8Å; K1173-D1383 IonicContact NZ-OD2 3.88Å; K1173-D1383 PolarHBondContact NZ-OD2 3.35Å; L1183-D1383 HydrophobicContact CD1-CB 3.46Å; L1183-D1383 VanDerWaalsContact CD1-CB 3.46Å; L1183-D1383 HydrophobicContact CD2-CB 3.93Å; L1183-D1383 HydrophobicContact CG-CB 4.32Å; W1187-D1383 VanDerWaalsContact CZ2-OD2 3.29Å; W1187-D1383 WeakPolarHBondContact CZ2-OD2 3.49Å; W1187-D1383 PolarHBondContact NE1-OD2 3.25Å; R1246-D1383 IonicContact CZ-OD1 3.39Å; R1246-D1383 IonicContact NE-OD1 2.84Å; R1246-D1383 PolarHBondContact NE-OD1 3.2Å; R1246-D1383 IonicContact NH2-OD1 3.79Å; R1246-D1383 PolarHBondContact NH2-OD1 2.88Å; R1246-D1383 IonicContact NH2-OD2 2.91Å; R1246-D1383 PolarHBondContact NH2-OD2 2.93Å; I1381-D1383 VanDerWaalsContact C-N 3.33Å; I1381-D1383 PolarHBondContact O-N 3.48Å |
| 1384 | S | 78 | Confident | 77.4 | Confident | 21 Ų | 21 | 69.5 Ų | 69.5 | 15% | 0.147 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -76.7 | 166.2 | 174 | 79.6 | 0 | 0 | 0 | 0 | 111.5 | L1380 I1381 I1386 G1387 R1388 | L1380-S1384 PolarHBondContact O-N 3.19Å; I1381-S1384 WeakPolarHBondContact O-CB 3.4Å; I1381-S1384 PolarHBondContact O-N 3.43Å; I1381-S1384 PolarHBondContact O-OG 2.84Å; S1384-I1386 PolarHBondContact O-N 3.03Å; S1384-I1386 WeakPolarHBondContact OG-CB 3.5Å; S1384-I1386 PolarHBondContact OG-N 2.84Å; S1384-G1387 PolarHBondContact O-N 3.41Å; S1384-G1387 VanDerWaalsContact O-N 3.08Å; S1384-G1387 PolarHBondContact OG-N 3.39Å; S1384-R1388 PolarHBondContact O-N 3.45Å |
| 1385 | S | 67.8 | Low | 76.1 | Confident | 89 Ų | 89 | 69.4 Ų | 69.4 | 62% | 0.622 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -56.7 | -34.3 | 172.1 | 49.2 | 0 | 0 | 0 | 0 | 112.2 | G1387 R1388 N1389 | S1385-G1387 VanDerWaalsContact C-N 3.34Å; S1385-G1387 PolarHBondContact O-N 3.14Å; S1385-R1388 PolarHBondContact O-N 3.13Å; S1385-N1389 PolarHBondContact O-N 3.36Å |
| 1386 | I | 69.5 | Low | 74.8 | Confident | 104 Ų | 104 | 71.5 Ų | 71.5 | 53% | 0.533 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -61.1 | -45.1 | 176.1 | -60.5 | 162.6 | 0 | 0 | 0 | 110 | I1381 S1384 R1388 N1389 L1390 | I1381-I1386 HydrophobicContact CG2-CG2 4.46Å; S1384-I1386 PolarHBondContact O-N 3.03Å; S1384-I1386 WeakPolarHBondContact OG-CB 3.5Å; S1384-I1386 PolarHBondContact OG-N 2.84Å; I1386-R1388 VanDerWaalsContact C-N 3.35Å; I1386-R1388 PolarHBondContact O-N 3.1Å; I1386-N1389 PolarHBondContact O-N 3.41Å; I1386-L1390 WeakPolarHBondContact O-CB 3.39Å; I1386-L1390 PolarHBondContact O-N 3.06Å |
| 1387 | G | 67.3 | Low | 73.7 | Confident | 11 Ų | 11 | 74.9 Ų | 74.9 | 11% | 0.113 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | I1381 S1384 S1385 L1390 K1391 | I1381-G1387 VanDerWaalsContact O-CA 3.23Å; I1381-G1387 WeakPolarHBondContact O-CA 3.47Å; I1381-G1387 PolarHBondContact O-N 3.17Å; S1384-G1387 PolarHBondContact O-N 3.41Å; S1384-G1387 VanDerWaalsContact O-N 3.08Å; S1384-G1387 PolarHBondContact OG-N 3.39Å; S1385-G1387 VanDerWaalsContact C-N 3.34Å; S1385-G1387 PolarHBondContact O-N 3.14Å; G1387-L1390 PolarHBondContact O-N 2.86Å; G1387-K1391 WeakPolarHBondContact O-CB 3.25Å; G1387-K1391 PolarHBondContact O-N 3.07Å |
| 1388 | R | 64.5 | Low | 72.5 | Confident | 96 Ų | 96 | 79.3 Ų | 79.3 | 36% | 0.362 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -61.2 | -49.3 | 171.9 | -85.9 | -169.8 | -174.5 | -179 | 1.2 | 111.5 | S1384 S1385 I1386 L1390 K1391 I1392 G1511 E1514 | S1384-R1388 PolarHBondContact O-N 3.45Å; S1385-R1388 PolarHBondContact O-N 3.13Å; I1386-R1388 VanDerWaalsContact C-N 3.35Å; I1386-R1388 PolarHBondContact O-N 3.1Å; R1388-L1390 VanDerWaalsContact C-N 3.32Å; R1388-L1390 PolarHBondContact O-N 2.84Å; R1388-K1391 PolarHBondContact O-N 3.33Å; R1388-I1392 VanDerWaalsContact O-CG1 3.32Å; R1388-I1392 WeakPolarHBondContact O-CG1 3.44Å; R1388-I1392 PolarHBondContact O-N 3.46Å; R1388-G1511 PolarHBondContact NH2-O 3.28Å; R1388-E1514 WeakPolarHBondContact CD-OE1 3.23Å; R1388-E1514 IonicContact CZ-OE1 3.92Å; R1388-E1514 IonicContact NH1-OE1 3.82Å; R1388-E1514 PolarHBondContact NH1-OE1 3.46Å |
| 1389 | N | 68.4 | Low | 71.1 | Confident | 102 Ų | 102 | 80 Ų | 80 | 55% | 0.545 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 179.9 | -70.2 | -8.1 | 0 | 0 | 0 | 111.9 | S1385 I1386 I1392 C1393 | S1385-N1389 PolarHBondContact O-N 3.36Å; I1386-N1389 PolarHBondContact O-N 3.41Å; N1389-I1392 PolarHBondContact O-N 2.84Å; N1389-C1393 VanDerWaalsContact O-CB 3.3Å; N1389-C1393 WeakPolarHBondContact O-CB 3.41Å; N1389-C1393 PolarHBondContact O-N 2.94Å |
| 1390 | L | 69.6 | Low | 69.8 | Low | 93 Ų | 93 | 88.7 Ų | 88.7 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -67.9 | -38.3 | 179.1 | -141 | 148.8 | 0 | 0 | 0 | 111.4 | I1386 G1387 R1388 C1393 L1394 | I1386-L1390 WeakPolarHBondContact O-CB 3.39Å; I1386-L1390 PolarHBondContact O-N 3.06Å; G1387-L1390 PolarHBondContact O-N 2.86Å; R1388-L1390 VanDerWaalsContact C-N 3.32Å; R1388-L1390 PolarHBondContact O-N 2.84Å; L1390-C1393 PolarHBondContact O-N 2.89Å; L1390-L1394 HydrophobicContact CD2-CD1 3.85Å; L1390-L1394 HydrophobicContact CD2-CG 4.29Å; L1390-L1394 WeakPolarHBondContact O-CB 3.21Å; L1390-L1394 WeakPolarHBondContact O-CG 3.45Å; L1390-L1394 PolarHBondContact O-N 2.9Å |
| 1391 | K | 65.2 | Low | 68.6 | Low | 146 Ų | 146 | 92.8 Ų | 92.8 | 64% | 0.635 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -64.7 | -42.4 | 173.5 | -164.2 | 179.8 | -171.9 | 177.7 | 0 | 111.8 | G1387 R1388 C1393 L1394 I1395 | G1387-K1391 WeakPolarHBondContact O-CB 3.25Å; G1387-K1391 PolarHBondContact O-N 3.07Å; R1388-K1391 PolarHBondContact O-N 3.33Å; K1391-C1393 VanDerWaalsContact C-N 3.35Å; K1391-L1394 PolarHBondContact O-N 3.32Å; K1391-I1395 HydrophobicContact CG-CD1 4.27Å; K1391-I1395 WeakPolarHBondContact O-CB 3.12Å; K1391-I1395 WeakPolarHBondContact O-CD1 3.13Å; K1391-I1395 WeakPolarHBondContact O-CG1 3.41Å; K1391-I1395 PolarHBondContact O-N 2.68Å |
| 1392 | I | 64.3 | Low | 67.1 | Low | 72 Ų | 72 | 97.1 Ų | 97.1 | 37% | 0.369 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.1 | -46.2 | 173.7 | -68.1 | 164.4 | 0 | 0 | 0 | 109.7 | R1388 N1389 L1394 I1395 I1396 | R1388-I1392 VanDerWaalsContact O-CG1 3.32Å; R1388-I1392 WeakPolarHBondContact O-CG1 3.44Å; R1388-I1392 PolarHBondContact O-N 3.46Å; N1389-I1392 PolarHBondContact O-N 2.84Å; I1392-L1394 VanDerWaalsContact C-N 3.35Å; I1392-L1394 PolarHBondContact O-N 2.82Å; I1392-I1395 PolarHBondContact O-N 2.83Å; I1392-I1396 HydrophobicContact CG2-CD1 3.72Å; I1392-I1396 HydrophobicContact CG2-CG1 4.4Å; I1392-I1396 VanDerWaalsContact O-CG1 3.25Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.33Å; I1392-I1396 PolarHBondContact O-N 2.93Å |
| 1393 | C | 66.2 | Low | 65.7 | Low | 67 Ų | 67 | 99.8 Ų | 99.8 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -61.9 | -40.9 | 178.4 | -156.3 | 0 | 0 | 0 | 0 | 112 | N1389 L1390 K1391 I1396 L1397 | N1389-C1393 VanDerWaalsContact O-CB 3.3Å; N1389-C1393 WeakPolarHBondContact O-CB 3.41Å; N1389-C1393 PolarHBondContact O-N 2.94Å; L1390-C1393 PolarHBondContact O-N 2.89Å; K1391-C1393 VanDerWaalsContact C-N 3.35Å; C1393-I1396 PolarHBondContact O-N 2.86Å; C1393-L1397 WeakPolarHBondContact O-CB 3.32Å; C1393-L1397 PolarHBondContact O-N 3.01Å |
| 1394 | L | 68.3 | Low | 64.5 | Low | 102 Ų | 102 | 108.3 Ų | 108.3 | 53% | 0.534 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -39.2 | 173.6 | -83.9 | 166.6 | 0 | 0 | 0 | 112.4 | L1390 K1391 I1392 I1396 L1397 Y1398 | L1390-L1394 HydrophobicContact CD2-CD1 3.85Å; L1390-L1394 HydrophobicContact CD2-CG 4.29Å; L1390-L1394 WeakPolarHBondContact O-CB 3.21Å; L1390-L1394 WeakPolarHBondContact O-CG 3.45Å; L1390-L1394 PolarHBondContact O-N 2.9Å; K1391-L1394 PolarHBondContact O-N 3.32Å; I1392-L1394 VanDerWaalsContact C-N 3.35Å; I1392-L1394 PolarHBondContact O-N 2.82Å; L1394-I1396 VanDerWaalsContact C-N 3.32Å; L1394-L1397 PolarHBondContact O-N 3.08Å; L1394-Y1398 WeakPolarHBondContact O-CB 3.32Å; L1394-Y1398 PolarHBondContact O-N 3.38Å |
| 1395 | I | 65.5 | Low | 63 | Low | 82 Ų | 82 | 115.2 Ų | 115.2 | 42% | 0.421 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 173.9 | -70.5 | 164.1 | 0 | 0 | 0 | 110.3 | K1391 I1392 R1399 | K1391-I1395 HydrophobicContact CG-CD1 4.27Å; K1391-I1395 WeakPolarHBondContact O-CB 3.12Å; K1391-I1395 WeakPolarHBondContact O-CD1 3.13Å; K1391-I1395 WeakPolarHBondContact O-CG1 3.41Å; K1391-I1395 PolarHBondContact O-N 2.68Å; I1392-I1395 PolarHBondContact O-N 2.83Å; I1395-R1399 VanDerWaalsContact O-CB 3.25Å; I1395-R1399 WeakPolarHBondContact O-CB 3.03Å; I1395-R1399 VanDerWaalsContact O-CG 3.31Å; I1395-R1399 WeakPolarHBondContact O-CG 3.5Å; I1395-R1399 PolarHBondContact O-N 3.2Å |
| 1396 | I | 66.5 | Low | 61.7 | Low | 87 Ų | 87 | 117 Ų | 117 | 45% | 0.446 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66 | -44.6 | 175.6 | -68 | 165.5 | 0 | 0 | 0 | 110.3 | I1392 C1393 L1394 R1399 R1400 | I1392-I1396 HydrophobicContact CG2-CD1 3.72Å; I1392-I1396 HydrophobicContact CG2-CG1 4.4Å; I1392-I1396 VanDerWaalsContact O-CG1 3.25Å; I1392-I1396 WeakPolarHBondContact O-CG1 3.33Å; I1392-I1396 PolarHBondContact O-N 2.93Å; C1393-I1396 PolarHBondContact O-N 2.86Å; L1394-I1396 VanDerWaalsContact C-N 3.32Å; I1396-R1399 PolarHBondContact O-N 2.91Å; I1396-R1400 WeakPolarHBondContact O-CB 3.41Å; I1396-R1400 PolarHBondContact O-N 2.75Å |
| 1397 | L | 68.1 | Low | 60.1 | Low | 102 Ų | 102 | 117.7 Ų | 117.7 | 53% | 0.534 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -63.3 | -46.9 | 175.7 | -91.1 | 158 | 0 | 0 | 0 | 111.6 | C1393 L1394 R1399 R1400 F1401 | C1393-L1397 WeakPolarHBondContact O-CB 3.32Å; C1393-L1397 PolarHBondContact O-N 3.01Å; L1394-L1397 PolarHBondContact O-N 3.08Å; L1397-R1399 VanDerWaalsContact C-N 3.34Å; L1397-R1399 PolarHBondContact O-N 3.34Å; L1397-R1400 CarbonylContact O-C 3.55Å; L1397-R1400 PolarHBondContact O-N 2.65Å; L1397-F1401 VanDerWaalsContact O-CB 3.29Å; L1397-F1401 WeakPolarHBondContact O-CB 3.36Å; L1397-F1401 PolarHBondContact O-N 3.49Å |
| 1398 | Y | 66.3 | Low | 58.7 | Low | 143 Ų | 143 | 123.4 Ų | 123.4 | 56% | 0.561 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -62.2 | -41.5 | 176.2 | -179.9 | -96.5 | 0 | 0 | 0 | 111.3 | L1394 F1401 R1402 | L1394-Y1398 WeakPolarHBondContact O-CB 3.32Å; L1394-Y1398 PolarHBondContact O-N 3.38Å; Y1398-F1401 PolarHBondContact O-N 3.01Å; Y1398-R1402 VanDerWaalsContact O-CB 3.24Å; Y1398-R1402 WeakPolarHBondContact O-CB 3.36Å; Y1398-R1402 PolarHBondContact O-N 3.41Å; Y1398-R1402 PolarHBondContact OH-NH1 3.24Å; Y1398-R1402 VanDerWaalsContact OH-NH1 3.11Å |
| 1399 | R | 60.9 | Low | 57.4 | Low | 115 Ų | 115 | 126.6 Ų | 126.6 | 43% | 0.434 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.2 | -46.7 | 172 | -81 | -178.3 | 174 | -179 | -1.2 | 111.1 | I1395 I1396 L1397 F1401 R1402 Y1403 | I1395-R1399 VanDerWaalsContact O-CB 3.25Å; I1395-R1399 WeakPolarHBondContact O-CB 3.03Å; I1395-R1399 VanDerWaalsContact O-CG 3.31Å; I1395-R1399 WeakPolarHBondContact O-CG 3.5Å; I1395-R1399 PolarHBondContact O-N 3.2Å; I1396-R1399 PolarHBondContact O-N 2.91Å; L1397-R1399 VanDerWaalsContact C-N 3.34Å; L1397-R1399 PolarHBondContact O-N 3.34Å; R1399-F1401 VanDerWaalsContact C-N 3.33Å; R1399-F1401 PolarHBondContact O-N 3.38Å; R1399-R1402 PolarHBondContact O-N 3.07Å; R1399-Y1403 VanDerWaalsContact O-CB 3.22Å; R1399-Y1403 WeakPolarHBondContact O-CB 3.43Å; R1399-Y1403 WeakPolarHBondContact O-CD2 3.28Å; R1399-Y1403 PolarHBondContact O-N 3.35Å |
| 1400 | R | 61.3 | Low | 56 | Low | 190 Ų | 190 | 125.7 Ų | 125.7 | 72% | 0.717 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -58.7 | -43 | 175.6 | -102.7 | -178.9 | 169.1 | 167.3 | -2.6 | 111.6 | I1396 L1397 Y1403 R1404 | I1396-R1400 WeakPolarHBondContact O-CB 3.41Å; I1396-R1400 PolarHBondContact O-N 2.75Å; L1397-R1400 CarbonylContact O-C 3.55Å; L1397-R1400 PolarHBondContact O-N 2.65Å; R1400-Y1403 PolarHBondContact O-N 3.41Å; R1400-R1404 WeakPolarHBondContact O-CB 3.3Å; R1400-R1404 PolarHBondContact O-N 3.42Å |
| 1401 | F | 61.2 | Low | 54.4 | Low | 162 Ų | 162 | 129.2 Ų | 129.2 | 71% | 0.711 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -68.8 | -42.7 | -179.7 | -155.3 | -88.8 | 0 | 0 | 0 | 111.4 | L1397 Y1398 R1399 Y1403 R1404 | L1397-F1401 VanDerWaalsContact O-CB 3.29Å; L1397-F1401 WeakPolarHBondContact O-CB 3.36Å; L1397-F1401 PolarHBondContact O-N 3.49Å; Y1398-F1401 PolarHBondContact O-N 3.01Å; R1399-F1401 VanDerWaalsContact C-N 3.33Å; R1399-F1401 PolarHBondContact O-N 3.38Å; F1401-Y1403 VanDerWaalsContact C-N 3.35Å; F1401-R1404 PolarHBondContact O-N 3Å |
| 1402 | R | 56 | Low | 53.2 | Low | 162 Ų | 162 | 129.6 Ų | 129.6 | 61% | 0.611 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -69.8 | -30.2 | 174.8 | -162.9 | 172.9 | -177.5 | 162 | -3.2 | 112.6 | Y1398 R1399 | Y1398-R1402 VanDerWaalsContact O-CB 3.24Å; Y1398-R1402 WeakPolarHBondContact O-CB 3.36Å; Y1398-R1402 PolarHBondContact O-N 3.41Å; Y1398-R1402 PolarHBondContact OH-NH1 3.24Å; Y1398-R1402 VanDerWaalsContact OH-NH1 3.11Å; R1399-R1402 PolarHBondContact O-N 3.07Å |
| 1403 | Y | 49.4 | Very low | 51.7 | Low | 98 Ų | 98 | 131.6 Ų | 131.6 | 38% | 0.384 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -74.8 | -36 | 174.6 | -102.8 | -89.8 | 0 | 0 | 0 | 112.9 | R1399 R1400 F1401 H1405 H1406 L1410 V1467 | R1399-Y1403 VanDerWaalsContact O-CB 3.22Å; R1399-Y1403 WeakPolarHBondContact O-CB 3.43Å; R1399-Y1403 WeakPolarHBondContact O-CD2 3.28Å; R1399-Y1403 PolarHBondContact O-N 3.35Å; R1400-Y1403 PolarHBondContact O-N 3.41Å; F1401-Y1403 VanDerWaalsContact C-N 3.35Å; Y1403-H1405 PolarHBondContact O-N 2.81Å; Y1403-H1405 VanDerWaalsContact O-N 3.1Å; Y1403-H1406 PolarHBondContact O-N 3.13Å; Y1403-L1410 HydrophobicContact CE1-CD2 4.25Å; Y1403-V1467 HydrophobicContact CE2-CG1 4.33Å; Y1403-V1467 WeakPolarHBondContact OH-CG1 3.47Å |
| 1404 | R | 49.3 | Very low | 50 | Low | 230 Ų | 230 | 135 Ų | 135 | 87% | 0.868 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -62.3 | -19.1 | -179.7 | -129.5 | 176.8 | -172 | 164.3 | 1 | 113.6 | R1400 F1401 | R1400-R1404 WeakPolarHBondContact O-CB 3.3Å; R1400-R1404 PolarHBondContact O-N 3.42Å; F1401-R1404 PolarHBondContact O-N 3Å |
| 1405 | H | 46.9 | Very low | 48.3 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 77% | 0.769 | 65% | 0.648 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -1.6 | -176.2 | -128.1 | -65.7 | 0 | 0 | 0 | 114.5 | Y1403 | Y1403-H1405 PolarHBondContact O-N 2.81Å; Y1403-H1405 VanDerWaalsContact O-N 3.1Å |
| 1406 | H | 41.3 | Very low | 46.7 | Very low | 127 Ų | 127 | 142.8 Ų | 142.8 | 59% | 0.588 | 66% | 0.661 | S | S | * | * | S | Bend | trans | -137.7 | 20 | -169.5 | -137.8 | 41.4 | 0 | 0 | 0 | 117.7 | Y1403 | Y1403-H1406 PolarHBondContact O-N 3.13Š|
| 1407 | N | 35.9 | Very low | 45 | Very low | 119 Ų | 119 | 145.8 Ų | 145.8 | 64% | 0.636 | 67% | 0.673 | S | S | * | * | trans | 179.4 | 131 | 150.3 | -95.1 | -10 | 0 | 0 | 0 | 112.7 | E1409 | N1407-E1409 PolarHBondContact O-N 3.38Š| ||
| 1408 | S | 38.1 | Very low | 43.2 | Very low | 131 Ų | 131 | 148.6 Ų | 148.6 | 92% | 0.916 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.9 | 5.9 | 166.7 | 37.2 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1409 | E | 37.8 | Very low | 41.4 | Very low | 163 Ų | 163 | 148.6 Ų | 148.6 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | 4.6 | -172.6 | -110.9 | -175.5 | 167.9 | 0 | 0 | 115.8 | N1407 | N1407-E1409 PolarHBondContact O-N 3.38Š|
| 1410 | L | 37.4 | Very low | 40 | Very low | 83 Ų | 83 | 147.9 Ų | 147.9 | 44% | 0.435 | 70% | 0.702 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -103.1 | 26.9 | -174 | -145.8 | 97.8 | 0 | 0 | 0 | 114.9 | Y1403 L1413 | Y1403-L1410 HydrophobicContact CE1-CD2 4.25Å; L1410-L1413 HydrophobicContact CD1-CD1 4.42Å; L1410-L1413 HydrophobicContact CG-CB 4.31Å |
| 1411 | L | 37.1 | Very low | 38.6 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 87% | 0.869 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | -7.7 | 174.2 | -118.1 | 142.4 | 0 | 0 | 0 | 113.2 | ||
| 1412 | L | 38.6 | Very low | 37.4 | Very low | 155 Ų | 155 | 143.1 Ų | 143.1 | 81% | 0.812 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -94.9 | -0.7 | 174.4 | -81.4 | 165.3 | 0 | 0 | 0 | 114.7 | ||
| 1413 | L | 34.1 | Very low | 36.4 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 60% | 0.597 | 71% | 0.705 | S | S | * | * | S | Bend | trans | -109.7 | -0.3 | -174.4 | -117.5 | 137.8 | 0 | 0 | 0 | 114.8 | L1410 | L1410-L1413 HydrophobicContact CD1-CD1 4.42Å; L1410-L1413 HydrophobicContact CG-CB 4.31Å |
| 1414 | N | 30.9 | Very low | 36.1 | Very low | 137 Ų | 137 | 142.7 Ų | 142.7 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | 1.7 | 175.9 | -86.8 | -12.2 | 0 | 0 | 0 | 114 | ||
| 1415 | Q | 32 | Very low | 35.8 | Very low | 173 Ų | 173 | 135.7 Ų | 135.7 | 81% | 0.808 | 71% | 0.705 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.4 | 4.5 | 170.4 | -104.2 | 174.9 | -21.5 | 0 | 0 | 113.5 | ||
| 1416 | Y | 31.5 | Very low | 35.5 | Very low | 176 Ų | 176 | 134.9 Ų | 134.9 | 69% | 0.69 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -109.4 | 21.8 | -176.6 | -134.2 | -90.5 | 0 | 0 | 0 | 114 | ||
| 1417 | H | 31.7 | Very low | 35.6 | Very low | 149 Ų | 149 | 130.7 Ų | 130.7 | 69% | 0.69 | 69% | 0.688 | S | S | * | * | S | Bend | trans | -120 | -0.5 | -175.1 | -116.2 | -47.8 | 0 | 0 | 0 | 117 | ||
| 1418 | D | 30.2 | Very low | 36.4 | Very low | 161 Ų | 161 | 129.3 Ų | 129.3 | 86% | 0.861 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -117.6 | -9.6 | 175 | -76.7 | -34.5 | 0 | 0 | 0 | 115 | ||
| 1419 | D | 27.4 | Very low | 37.2 | Very low | 144 Ų | 144 | 127.1 Ų | 127.1 | 77% | 0.77 | 68% | 0.675 | S | S | * | * | trans | -120 | 82.5 | 175.6 | -71.1 | -38.1 | 0 | 0 | 0 | 111.2 | ||||
| 1420 | L | 31.1 | Very low | 38.6 | Very low | 99 Ų | 99 | 120.1 Ų | 120.1 | 52% | 0.518 | 64% | 0.643 | S | S | . | * | trans | -132.7 | 84.4 | 155.9 | -103.1 | 149.3 | 0 | 0 | 0 | 106.1 | F1422 | L1420-F1422 HydrophobicContact CB-CD2 3.76Å; L1420-F1422 HydrophobicContact CB-CE2 4.08Å; L1420-F1422 HydrophobicContact CD1-CE2 3.98Å; L1420-F1422 HydrophobicContact CD2-CD2 3.79Å; L1420-F1422 HydrophobicContact CD2-CE2 3.74Å; L1420-F1422 HydrophobicContact CD2-CG 4.34Å; L1420-F1422 HydrophobicContact CD2-CZ 4.27Å; L1420-F1422 HydrophobicContact CG-CD2 4.22Å; L1420-F1422 HydrophobicContact CG-CE2 4.15Å; L1420-F1422 PolarHBondContact O-N 2.83Å | ||
| 1421 | S | 31.9 | Very low | 40.6 | Very low | 122 Ų | 122 | 117 Ų | 117 | 85% | 0.853 | 63% | 0.626 | S | S | * | * | trans | -52 | 85.9 | 142.8 | 50.5 | 0 | 0 | 0 | 0 | 106.5 | D1423 | S1421-D1423 PolarHBondContact O-N 3.42Å; S1421-D1423 VanDerWaalsContact O-N 3.13Å | ||
| 1422 | F | 36.8 | Very low | 42.8 | Very low | 131 Ų | 131 | 112.3 Ų | 112.3 | 58% | 0.575 | 61% | 0.605 | S | S | * | * | trans | -69.4 | 108.9 | 176.1 | -114.7 | -82.9 | 0 | 0 | 0 | 106.2 | L1420 D1424 | L1420-F1422 HydrophobicContact CB-CD2 3.76Å; L1420-F1422 HydrophobicContact CB-CE2 4.08Å; L1420-F1422 HydrophobicContact CD1-CE2 3.98Å; L1420-F1422 HydrophobicContact CD2-CD2 3.79Å; L1420-F1422 HydrophobicContact CD2-CE2 3.74Å; L1420-F1422 HydrophobicContact CD2-CG 4.34Å; L1420-F1422 HydrophobicContact CD2-CZ 4.27Å; L1420-F1422 HydrophobicContact CG-CD2 4.22Å; L1420-F1422 HydrophobicContact CG-CE2 4.15Å; L1420-F1422 PolarHBondContact O-N 2.83Å; F1422-D1424 PolarHBondContact O-N 3.09Å | ||
| 1423 | D | 34.9 | Very low | 45.1 | Very low | 126 Ų | 126 | 106.8 Ų | 106.8 | 67% | 0.674 | 58% | 0.576 | S | S | * | * | trans | -52.6 | 108.5 | 165.7 | -115.4 | -12.4 | 0 | 0 | 0 | 108.3 | S1421 S1425 | S1421-D1423 PolarHBondContact O-N 3.42Å; S1421-D1423 VanDerWaalsContact O-N 3.13Å; D1423-S1425 WeakPolarHBondContact CB-OG 3.37Å; D1423-S1425 PolarHBondContact O-N 2.56Å | ||
| 1424 | D | 44 | Very low | 47.6 | Very low | 124 Ų | 124 | 101.5 Ų | 101.5 | 66% | 0.663 | 55% | 0.548 | S | S | * | . | G | 310 helix | trans | -63.5 | -2.8 | 172.7 | -93.5 | -23 | 0 | 0 | 0 | 111.9 | F1422 N1426 L1427 | F1422-D1424 PolarHBondContact O-N 3.09Å; D1424-N1426 VanDerWaalsContact C-N 3.32Å; D1424-N1426 PolarHBondContact O-N 3.14Å; D1424-L1427 HydrophobicContact CB-CD1 4.27Å; D1424-L1427 WeakPolarHBondContact OD1-CD1 3.28Å |
| 1425 | S | 42 | Very low | 50.2 | Low | 84 Ų | 84 | 101.5 Ų | 101.5 | 59% | 0.587 | 54% | 0.538 | S | S | * | . | G | 310 helix | trans | -70.1 | -18 | -176.5 | 57.7 | 0 | 0 | 0 | 0 | 114.7 | D1423 | D1423-S1425 WeakPolarHBondContact CB-OG 3.37Å; D1423-S1425 PolarHBondContact O-N 2.56Å |
| 1426 | N | 40.1 | Very low | 52.7 | Low | 149 Ų | 149 | 99.6 Ų | 99.6 | 80% | 0.797 | 53% | 0.529 | S | S | * | . | G | 310 helix | trans | -109.4 | 16.6 | -179 | -82.2 | -30.4 | 0 | 0 | 0 | 114.8 | D1424 | D1424-N1426 VanDerWaalsContact C-N 3.32Å; D1424-N1426 PolarHBondContact O-N 3.14Å |
| 1427 | L | 45.1 | Very low | 55.4 | Low | 39 Ų | 39 | 92.7 Ų | 92.7 | 20% | 0.204 | 50% | 0.503 | C | S | . | . | S | Bend | trans | -73.6 | 132 | 171 | -85.2 | 97.8 | 0 | 0 | 0 | 110.9 | D1424 A1429 E1430 | D1424-L1427 HydrophobicContact CB-CD1 4.27Å; D1424-L1427 WeakPolarHBondContact OD1-CD1 3.28Å; L1427-A1429 PolarHBondContact O-N 2.8Å; L1427-E1430 HydrophobicContact CD2-CG 4.18Å; L1427-E1430 WeakPolarHBondContact CD2-OE1 3.28Å |
| 1428 | P | 50.9 | Low | 58 | Low | 89 Ų | 89 | 87.9 Ų | 87.9 | 58% | 0.578 | 48% | 0.479 | S | S | * | . | trans | -61.8 | 112.5 | 173.9 | 24.5 | -31.7 | 0 | 0 | 0 | 109.2 | E1430 K1673 | P1428-E1430 PolarHBondContact O-N 3.42Å; P1428-K1673 PolarHBondContact O-NZ 3.46Å | ||
| 1429 | A | 56.1 | Low | 60.7 | Low | 85 Ų | 85 | 86.9 Ų | 86.9 | 70% | 0.702 | 47% | 0.469 | S | S | * | . | trans | -1.6 | 84.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.9 | L1427 K1673 | L1427-A1429 PolarHBondContact O-N 2.8Å; A1429-K1673 PolarHBondContact O-NZ 3.12Å | ||
| 1430 | E | 66.2 | Low | 63.5 | Low | 17 Ų | 17 | 84.7 Ų | 84.7 | 8% | 0.079 | 46% | 0.456 | C | S | . | . | trans | -74.7 | 138.4 | 169.2 | -78.3 | -172.7 | 161.8 | 0 | 0 | 108.6 | L1427 P1428 R1435 R1438 | L1427-E1430 HydrophobicContact CD2-CG 4.18Å; L1427-E1430 WeakPolarHBondContact CD2-OE1 3.28Å; P1428-E1430 PolarHBondContact O-N 3.42Å; E1430-R1435 PolarHBondContact O-NH2 3.22Å; E1430-R1438 VanDerWaalsContact CD-NH2 3.35Å; E1430-R1438 IonicContact OE1-CZ 3.31Å; E1430-R1438 IonicContact OE1-NH1 3.96Å; E1430-R1438 IonicContact OE1-NH2 3.17Å; E1430-R1438 PolarHBondContact OE1-NH2 3.01Å; E1430-R1438 IonicContact OE2-CZ 3.94Å; E1430-R1438 IonicContact OE2-NH1 2.75Å; E1430-R1438 PolarHBondContact OE2-NH1 3.36Å; E1430-R1438 IonicContact OE2-NH2 3.49Å; E1430-R1438 PolarHBondContact OE2-NH2 2.94Å | ||
| 1431 | D | 80.4 | Confident | 66.2 | Low | 17 Ų | 17 | 80 Ų | 80 | 9% | 0.091 | 43% | 0.432 | C | S | . | . | trans | -62.6 | 146.9 | -178.9 | -167.3 | 14.2 | 0 | 0 | 0 | 111.7 | D1433 V1434 R1435 K1673 C1674 R1684 | D1431-D1433 PolarHBondContact O-N 3.45Å; D1431-V1434 HydrophobicContact CB-CG2 4.43Å; D1431-V1434 PolarHBondContact O-N 3.48Å; D1431-R1435 PolarHBondContact O-N 2.83Å; D1431-R1435 VanDerWaalsContact O-N 3.11Å; D1431-K1673 WeakPolarHBondContact CB-O 3.32Å; D1431-K1673 PolarHBondContact N-O 3.42Å; D1431-C1674 HydrophobicContact CB-CB 4.35Å; D1431-R1684 IonicContact OD1-CZ 2.6Å; D1431-R1684 IonicContact OD1-NE 3.39Å; D1431-R1684 IonicContact OD1-NH1 3.12Å; D1431-R1684 PolarHBondContact OD1-NH1 3.23Å; D1431-R1684 IonicContact OD1-NH2 2.68Å; D1431-R1684 PolarHBondContact OD1-NH2 2.95Å; D1431-R1684 IonicContact OD2-CZ 3.68Å; D1431-R1684 IonicContact OD2-NE 2.66Å; D1431-R1684 IonicContact OD2-NH1 2.8Å | ||
| 1432 | V | 83.6 | Confident | 68.7 | Low | 68 Ų | 68 | 77.2 Ų | 77.2 | 41% | 0.412 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -56.7 | -40.7 | -178.5 | -179.5 | 0 | 0 | 0 | 0 | 110.7 | V1434 R1435 Q1436 | V1432-V1434 PolarHBondContact O-N 2.98Å; V1432-R1435 PolarHBondContact O-N 3.05Å; V1432-Q1436 HydrophobicContact CG1-CG 4.43Å; V1432-Q1436 PolarHBondContact O-N 3.15Å |
| 1433 | D | 86.4 | Confident | 71 | Confident | 38 Ų | 38 | 74.9 Ų | 74.9 | 20% | 0.203 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -64.5 | -40.5 | -177.1 | -58.8 | -2.1 | 0 | 0 | 0 | 111.2 | D1431 H1437 H1680 R1684 | D1431-D1433 PolarHBondContact O-N 3.45Å; D1433-H1437 VanDerWaalsContact O-CB 3.31Å; D1433-H1437 WeakPolarHBondContact O-CB 2.98Å; D1433-H1437 PolarHBondContact O-N 3.04Å; D1433-H1680 IonicContact OD2-CD2 3.15Å; D1433-H1680 IonicContact OD2-CE1 3.72Å; D1433-H1680 IonicContact OD2-NE2 2.81Å; D1433-H1680 PolarHBondContact OD2-NE2 3.33Å; D1433-R1684 IonicContact OD1-CZ 2.77Å; D1433-R1684 IonicContact OD1-NH1 2.61Å; D1433-R1684 PolarHBondContact OD1-NH1 3.37Å; D1433-R1684 IonicContact OD2-NH1 2.7Å; D1433-R1684 PolarHBondContact OD2-NH1 3.06Å |
| 1434 | V | 86.7 | Confident | 73.2 | Confident | 3 Ų | 3 | 71 Ų | 71 | 2% | 0.018 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -68.3 | -42 | 176.9 | 178.2 | 0 | 0 | 0 | 0 | 110.8 | D1431 V1432 H1437 R1438 M1672 K1673 C1674 L1675 | D1431-V1434 HydrophobicContact CB-CG2 4.43Å; D1431-V1434 PolarHBondContact O-N 3.48Å; V1432-V1434 PolarHBondContact O-N 2.98Å; V1434-H1437 PolarHBondContact O-N 3.32Å; V1434-R1438 WeakPolarHBondContact O-CB 3.47Å; V1434-R1438 PolarHBondContact O-N 3.48Å; V1434-M1672 HydrophobicContact CG1-CB 3.87Å; V1434-K1673 WeakPolarHBondContact CG2-O 3.48Å; V1434-C1674 VanDerWaalsContact CG2-CA 3.46Å; V1434-L1675 HydrophobicContact CG2-CB 3.82Å |
| 1435 | R | 84.4 | Confident | 74.9 | Confident | 138 Ų | 138 | 68.8 Ų | 68.8 | 52% | 0.521 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.2 | -46.3 | -178.8 | -151.4 | -176 | -53.9 | 158.4 | 6.1 | 111.1 | E1430 D1431 V1432 R1438 H1439 | E1430-R1435 PolarHBondContact O-NH2 3.22Å; D1431-R1435 PolarHBondContact O-N 2.83Å; D1431-R1435 VanDerWaalsContact O-N 3.11Å; V1432-R1435 PolarHBondContact O-N 3.05Å; R1435-R1438 PolarHBondContact O-N 3.13Å; R1435-H1439 WeakPolarHBondContact O-CB 3.5Å; R1435-H1439 PolarHBondContact O-N 3.28Å |
| 1436 | Q | 86.1 | Confident | 76.5 | Confident | 132 Ų | 132 | 69.8 Ų | 69.8 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.6 | -45 | 174 | -77.9 | -176.6 | -14.4 | 0 | 0 | 111.5 | V1432 H1439 L1440 | V1432-Q1436 HydrophobicContact CG1-CG 4.43Å; V1432-Q1436 PolarHBondContact O-N 3.15Å; Q1436-H1439 PolarHBondContact O-N 3.1Å; Q1436-L1440 PolarHBondContact O-N 2.9Å |
| 1437 | H | 87.5 | Confident | 78.3 | Confident | 31 Ų | 31 | 66 Ų | 66 | 14% | 0.144 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -67.3 | -40.3 | -179.5 | -163.2 | 52.7 | 0 | 0 | 0 | 112.7 | D1433 V1434 H1439 L1440 V1441 R1663 L1675 | D1433-H1437 VanDerWaalsContact O-CB 3.31Å; D1433-H1437 WeakPolarHBondContact O-CB 2.98Å; D1433-H1437 PolarHBondContact O-N 3.04Å; V1434-H1437 PolarHBondContact O-N 3.32Å; H1437-H1439 VanDerWaalsContact C-N 3.32Å; H1437-H1439 PolarHBondContact O-N 3.29Å; H1437-L1440 WeakPolarHBondContact O-CB 3.44Å; H1437-L1440 PolarHBondContact O-N 3.49Å; H1437-V1441 WeakPolarHBondContact O-CG2 3.37Å; H1437-V1441 PolarHBondContact O-N 3.49Å; H1437-R1663 PolarHBondContact NE2-NH2 2.98Å; H1437-R1663 VanDerWaalsContact NE2-NH2 3.15Å; H1437-L1675 HydrophobicContact CB-CD2 3.64Å; H1437-L1675 WeakPolarHBondContact CD2-CD2 3.31Å |
| 1438 | R | 86.9 | Confident | 79.9 | Confident | 48 Ų | 48 | 71.2 Ų | 71.2 | 18% | 0.181 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 172.5 | 179.7 | -176.5 | -60.5 | 136.9 | 1.6 | 110.7 | E1430 V1434 R1435 L1440 V1441 E1442 | E1430-R1438 VanDerWaalsContact CD-NH2 3.35Å; E1430-R1438 IonicContact OE1-CZ 3.31Å; E1430-R1438 IonicContact OE1-NH1 3.96Å; E1430-R1438 IonicContact OE1-NH2 3.17Å; E1430-R1438 PolarHBondContact OE1-NH2 3.01Å; E1430-R1438 IonicContact OE2-CZ 3.94Å; E1430-R1438 IonicContact OE2-NH1 2.75Å; E1430-R1438 PolarHBondContact OE2-NH1 3.36Å; E1430-R1438 IonicContact OE2-NH2 3.49Å; E1430-R1438 PolarHBondContact OE2-NH2 2.94Å; V1434-R1438 WeakPolarHBondContact O-CB 3.47Å; V1434-R1438 PolarHBondContact O-N 3.48Å; R1435-R1438 PolarHBondContact O-N 3.13Å; R1438-L1440 VanDerWaalsContact C-N 3.28Å; R1438-L1440 PolarHBondContact O-N 3.49Å; R1438-V1441 PolarHBondContact O-N 3.28Å; R1438-E1442 HydrophobicContact CG-CG 4.27Å; R1438-E1442 VanDerWaalsContact CG-OE1 3.29Å; R1438-E1442 WeakPolarHBondContact CG-OE1 2.98Å; R1438-E1442 WeakPolarHBondContact O-CB 3.47Å; R1438-E1442 WeakPolarHBondContact O-CG 3.42Å; R1438-E1442 PolarHBondContact O-N 3.4Å |
| 1439 | H | 85.6 | Confident | 81.3 | Confident | 141 Ų | 141 | 67.2 Ų | 67.2 | 65% | 0.653 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -62.9 | -37.1 | 179.7 | -145.5 | -61.5 | 0 | 0 | 0 | 111.8 | R1435 Q1436 H1437 S1443 | R1435-H1439 WeakPolarHBondContact O-CB 3.5Å; R1435-H1439 PolarHBondContact O-N 3.28Å; Q1436-H1439 PolarHBondContact O-N 3.1Å; H1437-H1439 VanDerWaalsContact C-N 3.32Å; H1437-H1439 PolarHBondContact O-N 3.29Å; H1439-S1443 WeakPolarHBondContact O-CB 3.27Å; H1439-S1443 PolarHBondContact O-N 3.39Å; H1439-S1443 VanDerWaalsContact O-N 3.08Å; H1439-S1443 PolarHBondContact O-OG 3.18Å |
| 1440 | L | 87 | Confident | 82.2 | Confident | 98 Ų | 98 | 69.4 Ų | 69.4 | 51% | 0.513 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.7 | -49.3 | 173.4 | -169.2 | 91.2 | 0 | 0 | 0 | 111.6 | Q1436 H1437 R1438 S1443 L1444 | Q1436-L1440 PolarHBondContact O-N 2.9Å; H1437-L1440 WeakPolarHBondContact O-CB 3.44Å; H1437-L1440 PolarHBondContact O-N 3.49Å; R1438-L1440 VanDerWaalsContact C-N 3.28Å; R1438-L1440 PolarHBondContact O-N 3.49Å; L1440-S1443 PolarHBondContact O-OG 3.37Å; L1440-L1444 HydrophobicContact CG-CD1 4.4Å; L1440-L1444 WeakPolarHBondContact O-CD1 3.44Å; L1440-L1444 WeakPolarHBondContact O-CG 3.49Å; L1440-L1444 PolarHBondContact O-N 3Å |
| 1441 | V | 86.9 | Confident | 82.9 | Confident | 1 Ų | 1 | 76.8 Ų | 76.8 | 1% | 0.006 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.3 | -41.5 | -178.3 | 176.1 | 0 | 0 | 0 | 0 | 111.8 | H1437 R1438 A1485 | H1437-V1441 WeakPolarHBondContact O-CG2 3.37Å; H1437-V1441 PolarHBondContact O-N 3.49Å; R1438-V1441 PolarHBondContact O-N 3.28Å; V1441-A1485 HydrophobicContact CG1-CB 4.39Å; V1441-A1485 HydrophobicContact CG2-CB 3.61Å |
| 1442 | E | 85.5 | Confident | 83 | Confident | 63 Ų | 63 | 81.3 Ų | 81.3 | 29% | 0.294 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -77 | -23.5 | -177 | -68 | -176.7 | -169.9 | 0 | 0 | 113.3 | R1438 R1459 S1483 | R1438-E1442 HydrophobicContact CG-CG 4.27Å; R1438-E1442 VanDerWaalsContact CG-OE1 3.29Å; R1438-E1442 WeakPolarHBondContact CG-OE1 2.98Å; R1438-E1442 WeakPolarHBondContact O-CB 3.47Å; R1438-E1442 WeakPolarHBondContact O-CG 3.42Å; R1438-E1442 PolarHBondContact O-N 3.4Å; E1442-R1459 VanDerWaalsContact OE1-CG 3.31Å; E1442-R1459 WeakPolarHBondContact OE1-CG 3.47Å; E1442-R1459 IonicContact OE1-NE 3Å; E1442-R1459 PolarHBondContact OE1-NE 3.37Å; E1442-R1459 IonicContact OE2-CZ 3.04Å; E1442-R1459 VanDerWaalsContact OE2-CZ 3.22Å; E1442-R1459 IonicContact OE2-NE 3.16Å; E1442-R1459 PolarHBondContact OE2-NE 3.01Å; E1442-R1459 IonicContact OE2-NH2 2.67Å; E1442-R1459 PolarHBondContact OE2-NH2 3.21Å; E1442-S1483 PolarHBondContact OE1-OG 2.93Å |
| 1443 | S | 83.9 | Confident | 83.1 | Confident | 81 Ų | 81 | 79 Ų | 79 | 57% | 0.566 | 38% | 0.38 | S | S | * | . | H | α-helix | trans | -86.1 | -17.8 | 177.4 | 60 | 0 | 0 | 0 | 0 | 114.3 | H1439 L1440 | H1439-S1443 WeakPolarHBondContact O-CB 3.27Å; H1439-S1443 PolarHBondContact O-N 3.39Å; H1439-S1443 VanDerWaalsContact O-N 3.08Å; H1439-S1443 PolarHBondContact O-OG 3.18Å; L1440-S1443 PolarHBondContact O-OG 3.37Å |
| 1444 | L | 81.1 | Confident | 83.3 | Confident | 44 Ų | 44 | 77.8 Ų | 77.8 | 23% | 0.23 | 37% | 0.374 | C | S | . | . | S | Bend | trans | -70.1 | 134 | -179.3 | -88.5 | 158.2 | 0 | 0 | 0 | 111.9 | L1440 R1448 L1449 | L1440-L1444 HydrophobicContact CG-CD1 4.4Å; L1440-L1444 WeakPolarHBondContact O-CD1 3.44Å; L1440-L1444 WeakPolarHBondContact O-CG 3.49Å; L1440-L1444 PolarHBondContact O-N 3Å; L1444-R1448 HydrophobicContact CD2-CB 4.17Å; L1444-L1449 HydrophobicContact CB-CD1 3.7Å; L1444-L1449 HydrophobicContact CB-CG 4.08Å; L1444-L1449 WeakPolarHBondContact O-CD1 3.3Å |
| 1445 | P | 79.9 | Confident | 83.5 | Confident | 79 Ų | 79 | 77.7 Ų | 77.7 | 51% | 0.513 | 37% | 0.373 | S | S | . | . | trans | -62.9 | 140.3 | 173.1 | -18.2 | 29.3 | 0 | 0 | 0 | 111.3 | A1447 R1448 L1449 | P1445-A1447 PolarHBondContact O-N 2.94Å; P1445-R1448 PolarHBondContact O-N 2.97Å; P1445-L1449 PolarHBondContact O-N 3.01Å | ||
| 1446 | Y | 76.2 | Confident | 83.9 | Confident | 104 Ų | 104 | 71.1 Ų | 71.1 | 41% | 0.408 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -51.7 | -32.7 | -177.2 | -159.7 | -82.6 | 0 | 0 | 0 | 113.3 | R1450 I1521 D1526 | Y1446-R1450 WeakPolarHBondContact O-CB 3.06Å; Y1446-R1450 PolarHBondContact O-N 2.83Å; Y1446-R1450 VanDerWaalsContact O-N 3.12Å; Y1446-I1521 HydrophobicContact CD1-CD1 4.26Å; Y1446-I1521 HydrophobicContact CD2-CD1 4.05Å; Y1446-I1521 HydrophobicContact CE1-CD1 3.75Å; Y1446-I1521 HydrophobicContact CE1-CG1 4.4Å; Y1446-I1521 HydrophobicContact CE2-CD1 3.54Å; Y1446-I1521 HydrophobicContact CE2-CG1 4.16Å; Y1446-I1521 HydrophobicContact CG-CD1 4.39Å; Y1446-I1521 WeakPolarHBondContact OH-CG1 3.06Å; Y1446-D1526 VanDerWaalsContact OH-CB 3.29Å; Y1446-D1526 WeakPolarHBondContact OH-CB 3.02Å; Y1446-D1526 VanDerWaalsContact OH-CG 3.22Å; Y1446-D1526 PolarHBondContact OH-OD2 3.04Å |
| 1447 | A | 77 | Confident | 84.2 | Confident | 69 Ų | 69 | 65 Ų | 65 | 57% | 0.57 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -66 | -45.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | P1445 R1450 E1451 | P1445-A1447 PolarHBondContact O-N 2.94Å; A1447-R1450 VanDerWaalsContact O-CB 3.29Å; A1447-R1450 WeakPolarHBondContact O-CB 2.95Å; A1447-R1450 PolarHBondContact O-N 3.37Å; A1447-E1451 PolarHBondContact O-N 3.41Å |
| 1448 | R | 80.1 | Confident | 84.3 | Confident | 150 Ų | 150 | 64.8 Ų | 64.8 | 57% | 0.566 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -68 | -41 | 177.4 | -87.1 | -167.1 | -176.2 | 171.3 | 2.1 | 111.9 | L1444 P1445 R1450 E1451 Q1452 | L1444-R1448 HydrophobicContact CD2-CB 4.17Å; P1445-R1448 PolarHBondContact O-N 2.97Å; R1448-R1450 PolarHBondContact O-N 3.48Å; R1448-E1451 PolarHBondContact O-N 3.34Å; R1448-E1451 VanDerWaalsContact O-N 3.17Å; R1448-Q1452 WeakPolarHBondContact O-CB 3.43Å; R1448-Q1452 PolarHBondContact O-N 2.91Å |
| 1449 | L | 78.9 | Confident | 84.4 | Confident | 5 Ų | 5 | 69.4 Ų | 69.4 | 3% | 0.026 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -53.5 | -41.8 | 173 | -104.9 | 147.2 | 0 | 0 | 0 | 111.2 | L1444 P1445 E1451 T1453 A1456 | L1444-L1449 HydrophobicContact CB-CD1 3.7Å; L1444-L1449 HydrophobicContact CB-CG 4.08Å; L1444-L1449 WeakPolarHBondContact O-CD1 3.3Å; P1445-L1449 PolarHBondContact O-N 3.01Å; L1449-E1451 PolarHBondContact O-N 2.89Å; L1449-T1453 HydrophobicContact CD2-CG2 4.42Å; L1449-T1453 WeakPolarHBondContact O-CB 3.35Å; L1449-T1453 PolarHBondContact O-N 3.37Å; L1449-T1453 PolarHBondContact O-OG1 2.72Å; L1449-A1456 HydrophobicContact CD2-CB 3.26Å |
| 1450 | R | 76 | Confident | 84.6 | Confident | 130 Ų | 130 | 62.7 Ų | 62.7 | 49% | 0.491 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -65.3 | -33.2 | -179.8 | -157.8 | -176.1 | -176.4 | -160 | -8.5 | 114.3 | Y1446 A1447 R1448 G1524 | Y1446-R1450 WeakPolarHBondContact O-CB 3.06Å; Y1446-R1450 PolarHBondContact O-N 2.83Å; Y1446-R1450 VanDerWaalsContact O-N 3.12Å; A1447-R1450 VanDerWaalsContact O-CB 3.29Å; A1447-R1450 WeakPolarHBondContact O-CB 2.95Å; A1447-R1450 PolarHBondContact O-N 3.37Å; R1448-R1450 PolarHBondContact O-N 3.48Å; R1450-G1524 VanDerWaalsContact CG-CA 3.43Å; R1450-G1524 VanDerWaalsContact CZ-O 3.25Å; R1450-G1524 PolarHBondContact NE-O 3.06Å; R1450-G1524 PolarHBondContact NH2-O 2.87Å |
| 1451 | E | 80.5 | Confident | 84.7 | Confident | 172 Ų | 172 | 58.5 Ų | 58.5 | 80% | 0.804 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -92.1 | -38.2 | -176.9 | -74.3 | -178.8 | 171 | 0 | 0 | 113.2 | A1447 R1448 L1449 | A1447-E1451 PolarHBondContact O-N 3.41Å; R1448-E1451 PolarHBondContact O-N 3.34Å; R1448-E1451 VanDerWaalsContact O-N 3.17Å; L1449-E1451 PolarHBondContact O-N 2.89Å |
| 1452 | Q | 83.1 | Confident | 84.8 | Confident | 112 Ų | 112 | 60 Ų | 60 | 52% | 0.523 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -88.6 | -13.5 | -172.9 | -66.7 | -175.4 | -24.5 | 0 | 0 | 113.7 | R1448 P1488 | R1448-Q1452 WeakPolarHBondContact O-CB 3.43Å; R1448-Q1452 PolarHBondContact O-N 2.91Å; Q1452-P1488 VanDerWaalsContact O-CD 3.31Å; Q1452-P1488 WeakPolarHBondContact O-CD 3.49Å |
| 1453 | T | 86.7 | Confident | 84.8 | Confident | 20 Ų | 20 | 59.8 Ų | 59.8 | 12% | 0.123 | 30% | 0.296 | C | S | . | . | trans | -124.7 | 141 | -172.9 | 75.2 | 0 | 0 | 0 | 0 | 112.6 | L1449 A1485 | L1449-T1453 HydrophobicContact CD2-CG2 4.42Å; L1449-T1453 WeakPolarHBondContact O-CB 3.35Å; L1449-T1453 PolarHBondContact O-N 3.37Å; L1449-T1453 PolarHBondContact O-OG1 2.72Å; T1453-A1485 HydrophobicContact CG2-CB 4.01Å | ||
| 1454 | S | 88.5 | Confident | 84.3 | Confident | 12 Ų | 12 | 60.6 Ų | 60.6 | 8% | 0.084 | 29% | 0.288 | C | S | . | . | S | Bend | trans | -80.7 | -33.9 | 172.1 | 3 | 0 | 0 | 0 | 0 | 111.6 | I1486 P1487 P1488 V1523 T1646 | S1454-I1486 PolarHBondContact N-O 3.17Å; S1454-I1486 PolarHBondContact OG-O 3.11Å; S1454-P1487 VanDerWaalsContact OG-C 3.24Å; S1454-P1487 PolarHBondContact OG-O 3.37Å; S1454-P1487 VanDerWaalsContact OG-O 3.13Å; S1454-P1488 WeakPolarHBondContact OG-CA 3.3Å; S1454-V1523 PolarHBondContact O-N 3.17Å; S1454-T1646 WeakPolarHBondContact CB-OG1 3.42Å; S1454-T1646 WeakPolarHBondContact OG-CG2 3.48Å; S1454-T1646 PolarHBondContact OG-OG1 3.24Å |
| 1455 | L | 92.8 | Very high | 83.4 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 30% | 0.303 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -140 | 132.7 | 176.4 | 179 | 69 | 0 | 0 | 0 | 109.5 | I1486 I1509 I1520 I1521 V1522 L1615 V1648 | L1455-I1486 HydrophobicContact CB-CB 4.38Å; L1455-I1486 HydrophobicContact CB-CD1 4.42Å; L1455-I1486 HydrophobicContact CD2-CD1 3.91Å; L1455-I1486 PolarHBondContact N-O 3.34Å; L1455-I1486 PolarHBondContact O-N 2.69Å; L1455-I1509 HydrophobicContact CD1-CG1 4.37Å; L1455-I1509 HydrophobicContact CD1-CG2 3.92Å; L1455-I1509 HydrophobicContact CD2-CD1 3.94Å; L1455-I1520 HydrophobicContact CD1-CG2 4.28Å; L1455-I1521 WeakPolarHBondContact CA-O 2.94Å; L1455-V1522 HydrophobicContact CD1-CG2 3.75Å; L1455-L1615 HydrophobicContact CB-CD1 4.45Å; L1455-L1615 HydrophobicContact CB-CD2 4.16Å; L1455-L1615 HydrophobicContact CD1-CD2 4.29Å; L1455-V1648 HydrophobicContact CD2-CG1 4.46Å; L1455-V1648 HydrophobicContact CD2-CG2 4.08Å |
| 1456 | A | 91.9 | Very high | 81.8 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.3 | 134.9 | 170.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1449 L1484 I1520 I1521 | L1449-A1456 HydrophobicContact CD2-CB 3.26Å; A1456-L1484 CarbonylContact C-O 3.51Å; A1456-L1484 WeakPolarHBondContact CA-O 3.48Å; A1456-I1520 WeakPolarHBondContact O-CA 3.26Å; A1456-I1521 HydrophobicContact CB-CB 4.31Å; A1456-I1521 PolarHBondContact N-O 3.3Å; A1456-I1521 PolarHBondContact O-N 3.05Å |
| 1457 | L | 92 | Very high | 80.6 | Confident | 3 Ų | 3 | 59.7 Ų | 59.7 | 2% | 0.016 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.3 | 123.9 | 174.3 | -60.1 | 169.9 | 0 | 0 | 0 | 107 | V1460 L1482 S1483 L1484 T1505 I1509 I1520 | L1457-V1460 HydrophobicContact CB-CG2 3.89Å; L1457-V1460 HydrophobicContact CD2-CG2 3.96Å; L1457-L1482 HydrophobicContact CD1-CD2 3.87Å; L1457-S1483 CarbonylContact O-C 3.57Å; L1457-S1483 VanDerWaalsContact O-CA 3.23Å; L1457-S1483 WeakPolarHBondContact O-CA 3.06Å; L1457-L1484 HydrophobicContact CB-CB 4.29Å; L1457-L1484 HydrophobicContact CD1-CB 4.17Å; L1457-L1484 HydrophobicContact CD1-CD2 4.15Å; L1457-L1484 PolarHBondContact N-O 3.05Å; L1457-L1484 PolarHBondContact O-N 2.93Å; L1457-T1505 HydrophobicContact CD1-CG2 4.1Å; L1457-I1509 HydrophobicContact CD1-CD1 4.44Å; L1457-I1509 HydrophobicContact CD2-CG1 4.06Å; L1457-I1520 HydrophobicContact CD2-CB 4.17Å; L1457-I1520 HydrophobicContact CD2-CD1 3.93Å; L1457-I1520 HydrophobicContact CD2-CG1 3.72Å; L1457-I1520 HydrophobicContact CD2-CG2 3.62Å |
| 1458 | C | 89.3 | Confident | 79 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 18% | 0.176 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 111.4 | 177 | -65.8 | 0 | 0 | 0 | 0 | 109.8 | V1460 G1518 H1519 | C1458-V1460 VanDerWaalsContact C-N 3.25Å; C1458-V1460 PolarHBondContact O-N 3.44Å; C1458-G1518 VanDerWaalsContact O-CA 3.29Å; C1458-G1518 WeakPolarHBondContact O-CA 3.25Å; C1458-H1519 PolarHBondContact N-O 3.27Å; C1458-H1519 PolarHBondContact O-N 2.79Å; C1458-H1519 VanDerWaalsContact O-N 3.1Å |
| 1459 | R | 89.1 | Confident | 77.5 | Confident | 146 Ų | 146 | 59 Ų | 59 | 55% | 0.551 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | 50.3 | 41.7 | 178.2 | -65.7 | -177.1 | 166.4 | 178.4 | -4.4 | 113.9 | E1442 L1482 S1483 G1518 | E1442-R1459 VanDerWaalsContact OE1-CG 3.31Å; E1442-R1459 WeakPolarHBondContact OE1-CG 3.47Å; E1442-R1459 IonicContact OE1-NE 3Å; E1442-R1459 PolarHBondContact OE1-NE 3.37Å; E1442-R1459 IonicContact OE2-CZ 3.04Å; E1442-R1459 VanDerWaalsContact OE2-CZ 3.22Å; E1442-R1459 IonicContact OE2-NE 3.16Å; E1442-R1459 PolarHBondContact OE2-NE 3.01Å; E1442-R1459 IonicContact OE2-NH2 2.67Å; E1442-R1459 PolarHBondContact OE2-NH2 3.21Å; R1459-L1482 PolarHBondContact N-O 3.25Å; R1459-S1483 PolarHBondContact N-OG 3.46Å; R1459-G1518 WeakPolarHBondContact O-CA 3.33Å |
| 1460 | V | 90.1 | Very high | 75.8 | Confident | 0 Ų | 0 | 69.1 Ų | 69.1 | 0% | 0 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 127.1 | -175.8 | -175.7 | 0 | 0 | 0 | 0 | 110.1 | L1457 C1458 R1481 L1482 M1508 P1515 S1517 H1519 I1520 | L1457-V1460 HydrophobicContact CB-CG2 3.89Å; L1457-V1460 HydrophobicContact CD2-CG2 3.96Å; C1458-V1460 VanDerWaalsContact C-N 3.25Å; C1458-V1460 PolarHBondContact O-N 3.44Å; V1460-R1481 PolarHBondContact O-N 3.4Å; V1460-L1482 PolarHBondContact N-O 2.02Å; V1460-L1482 PolarHBondContact O-N 3.1Å; V1460-M1508 HydrophobicContact CG1-CE 3.73Å; V1460-M1508 HydrophobicContact CG1-SD 3.87Å; V1460-P1515 HydrophobicContact CG1-CB 4.03Å; V1460-S1517 WeakPolarHBondContact CA-O 3.23Å; V1460-H1519 WeakPolarHBondContact CG2-O 3.44Å; V1460-I1520 HydrophobicContact CG1-CD1 4.19Å; V1460-I1520 HydrophobicContact CG1-CG1 4.39Å; V1460-I1520 HydrophobicContact CG2-CD1 4.49Å; V1460-I1520 HydrophobicContact CG2-CG1 3.86Å |
| 1461 | S | 90 | Very high | 74.2 | Confident | 10 Ų | 10 | 66.5 Ų | 66.5 | 7% | 0.07 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134 | 147.7 | 178.2 | -48.6 | 0 | 0 | 0 | 0 | 112.3 | V1479 R1481 S1516 S1517 | S1461-V1479 CarbonylContact C-O 3.58Å; S1461-V1479 VanDerWaalsContact CA-O 3.28Å; S1461-V1479 WeakPolarHBondContact CA-O 3.44Å; S1461-R1481 PolarHBondContact OG-N 3.07Å; S1461-S1516 WeakPolarHBondContact O-CA 3.32Å; S1461-S1516 WeakPolarHBondContact O-CB 3.46Å; S1461-S1516 PolarHBondContact O-N 2.86Å; S1461-S1517 VanDerWaalsContact CB-OG 3.27Å; S1461-S1517 WeakPolarHBondContact CB-OG 3.44Å; S1461-S1517 PolarHBondContact N-O 3.47Å; S1461-S1517 PolarHBondContact O-N 2.87Å; S1461-S1517 PolarHBondContact OG-OG 2.89Å |
| 1462 | K | 88.6 | Confident | 72.5 | Confident | 33 Ų | 33 | 68.8 Ų | 68.8 | 14% | 0.143 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.8 | 128 | 171.9 | -168.9 | 72.8 | -164.6 | 170.7 | 0 | 111.8 | Y1464 A1478 V1479 T1504 M1508 L1513 E1514 | K1462-Y1464 HydrophobicContact CG-CD2 4.36Å; K1462-Y1464 HydrophobicContact CG-CE2 3.79Å; K1462-A1478 PolarHBondContact O-N 3.05Å; K1462-V1479 HydrophobicContact CB-CB 4.33Å; K1462-V1479 PolarHBondContact N-O 3.39Å; K1462-V1479 PolarHBondContact O-N 3.48Å; K1462-V1479 VanDerWaalsContact O-N 3.15Å; K1462-T1504 HydrophobicContact CB-CG2 4.11Å; K1462-T1504 HydrophobicContact CG-CG2 3.95Å; K1462-M1508 HydrophobicContact CB-CE 4.2Å; K1462-M1508 HydrophobicContact CB-SD 3.82Å; K1462-M1508 HydrophobicContact CD-SD 4.27Å; K1462-M1508 HydrophobicContact CG-SD 4.39Å; K1462-L1513 HydrophobicContact CD-CD2 3.55Å; K1462-L1513 HydrophobicContact CD-CG 4.27Å; K1462-L1513 HydrophobicContact CG-CD2 3.71Å; K1462-E1514 WeakPolarHBondContact CD-O 3.29Å; K1462-E1514 PolarHBondContact NZ-O 2.83Å |
| 1463 | T | 84.5 | Confident | 70.7 | Confident | 57 Ų | 57 | 71.8 Ų | 71.8 | 35% | 0.35 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 137 | 177.7 | 49 | 0 | 0 | 0 | 0 | 111 | P1477 S1516 | T1463-P1477 HydrophobicContact CG2-CB 4.17Å; T1463-S1516 PolarHBondContact N-OG 2.83Å |
| 1464 | Y | 74.9 | Confident | 69 | Low | 98 Ų | 98 | 75.5 Ų | 75.5 | 38% | 0.384 | 40% | 0.399 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 139.7 | 174.8 | -67.7 | -83.6 | 0 | 0 | 0 | 110.2 | K1462 K1476 A1478 T1504 L1513 | K1462-Y1464 HydrophobicContact CG-CD2 4.36Å; K1462-Y1464 HydrophobicContact CG-CE2 3.79Å; Y1464-K1476 PolarHBondContact N-O 3.24Å; Y1464-K1476 VanDerWaalsContact N-O 3.12Å; Y1464-K1476 PolarHBondContact O-N 2.95Å; Y1464-A1478 HydrophobicContact CD2-CB 3.59Å; Y1464-A1478 HydrophobicContact CE2-CB 3.65Å; Y1464-T1504 HydrophobicContact CE2-CG2 3.78Å; Y1464-L1513 HydrophobicContact CE1-CD1 4.48Å; Y1464-L1513 WeakPolarHBondContact OH-CD1 3.4Å; Y1464-L1513 WeakPolarHBondContact OH-CD2 3.35Å |
| 1465 | G | 60.8 | Low | 67.7 | Low | 54 Ų | 54 | 82.3 Ų | 82.3 | 56% | 0.557 | 42% | 0.422 | S | S | * | . | trans | 153.6 | 138.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1466 | S | 47.6 | Very low | 66.5 | Low | 99 Ų | 99 | 90 Ų | 90 | 69% | 0.692 | 46% | 0.456 | S | S | * | . | trans | -81.7 | 137.6 | 171.2 | -170.9 | 0 | 0 | 0 | 0 | 109.3 | N1468 | S1466-N1468 PolarHBondContact O-N 3.24Š| ||
| 1467 | V | 49.3 | Very low | 65.8 | Low | 56 Ų | 56 | 92.9 Ų | 92.9 | 34% | 0.339 | 47% | 0.474 | S | S | . | . | trans | -74.8 | 80.8 | 171.7 | -161 | 0 | 0 | 0 | 0 | 107.3 | Y1403 | Y1403-V1467 HydrophobicContact CE2-CG1 4.33Å; Y1403-V1467 WeakPolarHBondContact OH-CG1 3.47Å | ||
| 1468 | N | 45.4 | Very low | 65.4 | Low | 100 Ų | 100 | 93.6 Ų | 93.6 | 54% | 0.535 | 48% | 0.481 | S | S | . | . | trans | -108.7 | 105.1 | 174.3 | -137.1 | 13.3 | 0 | 0 | 0 | 107.3 | S1466 R1470 C1471 | S1466-N1468 PolarHBondContact O-N 3.24Å; N1468-R1470 PolarHBondContact O-N 3.38Å; N1468-C1471 PolarHBondContact O-N 3.27Å | ||
| 1469 | P | 47.3 | Very low | 65.3 | Low | 104 Ų | 104 | 92.4 Ų | 92.4 | 68% | 0.675 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -14.6 | -169.1 | 21.7 | -31 | 0 | 0 | 0 | 114.4 | ||
| 1470 | R | 42.6 | Very low | 65.2 | Low | 217 Ų | 217 | 87 Ų | 87 | 82% | 0.819 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.5 | -13.1 | 178.9 | -69.7 | -172.5 | -176.3 | 172.5 | 1.9 | 115.2 | N1468 | N1468-R1470 PolarHBondContact O-N 3.38Š|
| 1471 | C | 44.4 | Very low | 65 | Low | 76 Ų | 76 | 91 Ų | 91 | 51% | 0.514 | 47% | 0.47 | S | S | . | . | trans | -109 | 114.3 | 176.5 | -75 | 0 | 0 | 0 | 0 | 109.3 | N1468 Q1473 | N1468-C1471 PolarHBondContact O-N 3.27Å; C1471-Q1473 PolarHBondContact O-N 3.06Å | ||
| 1472 | K | 43.7 | Very low | 65 | Low | 220 Ų | 220 | 90.6 Ų | 90.6 | 96% | 0.957 | 47% | 0.467 | S | S | * | . | trans | -63.1 | 25.2 | 170.7 | -110 | -177.3 | -178.1 | -178.9 | 0 | 113.9 | S1474 | K1472-S1474 PolarHBondContact O-N 3.19Å; K1472-S1474 VanDerWaalsContact O-N 3.17Å | ||
| 1473 | Q | 44.9 | Very low | 65.1 | Low | 174 Ų | 174 | 89.1 Ų | 89.1 | 81% | 0.813 | 46% | 0.461 | S | S | * | . | trans | -78.3 | 104.7 | 172.8 | -80.9 | -177.2 | -14.4 | 0 | 0 | 108.1 | C1471 | C1471-Q1473 PolarHBondContact O-N 3.06Š| ||
| 1474 | S | 51.2 | Low | 65.4 | Low | 98 Ų | 98 | 86.5 Ų | 86.5 | 69% | 0.685 | 44% | 0.444 | S | S | * | . | trans | -53.2 | 142.6 | 177 | 68.6 | 0 | 0 | 0 | 0 | 110.2 | K1472 K1476 | K1472-S1474 PolarHBondContact O-N 3.19Å; K1472-S1474 VanDerWaalsContact O-N 3.17Å; S1474-K1476 PolarHBondContact O-N 3.36Å | ||
| 1475 | R | 61.2 | Low | 66.2 | Low | 155 Ų | 155 | 82.3 Ų | 82.3 | 59% | 0.585 | 43% | 0.43 | S | S | * | . | trans | -52.1 | 114.5 | 168.6 | -80.5 | -179.7 | 171.5 | 173.7 | -0.1 | 107.1 | P1477 | R1475-P1477 WeakPolarHBondContact O-CD 3.28Š| ||
| 1476 | K | 68.1 | Low | 67.7 | Low | 165 Ų | 165 | 79.7 Ų | 79.7 | 72% | 0.717 | 40% | 0.404 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -81.4 | 111.7 | 174.8 | -106.8 | -175.9 | 174.9 | -175.4 | 0 | 108.1 | Y1464 S1474 A1478 | Y1464-K1476 PolarHBondContact N-O 3.24Å; Y1464-K1476 VanDerWaalsContact N-O 3.12Å; Y1464-K1476 PolarHBondContact O-N 2.95Å; S1474-K1476 PolarHBondContact O-N 3.36Å; K1476-A1478 PolarHBondContact O-N 2.03Å |
| 1477 | P | 77.2 | Confident | 69.7 | Low | 59 Ų | 59 | 77.2 Ų | 77.2 | 38% | 0.383 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 123.5 | 167.3 | 29.1 | -31.5 | 0 | 0 | 0 | 108.2 | T1463 R1475 D1480 | T1463-P1477 HydrophobicContact CG2-CB 4.17Å; R1475-P1477 WeakPolarHBondContact O-CD 3.28Å; P1477-D1480 HydrophobicContact CB-CB 4.27Å |
| 1478 | A | 83.7 | Confident | 71.5 | Confident | 18 Ų | 18 | 78.3 Ų | 78.3 | 15% | 0.149 | 39% | 0.393 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | -32.1 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.5 | K1462 Y1464 K1476 G1501 T1504 G1670 | K1462-A1478 PolarHBondContact O-N 3.05Å; Y1464-A1478 HydrophobicContact CD2-CB 3.59Å; Y1464-A1478 HydrophobicContact CE2-CB 3.65Å; K1476-A1478 PolarHBondContact O-N 2.03Å; A1478-G1501 VanDerWaalsContact O-CA 3.29Å; A1478-G1501 WeakPolarHBondContact O-CA 3.27Å; A1478-T1504 HydrophobicContact CB-CG2 4.24Å; A1478-G1670 WeakPolarHBondContact O-CA 3.41Å |
| 1479 | V | 87.5 | Confident | 73.5 | Confident | 2 Ų | 2 | 76 Ų | 76 | 1% | 0.012 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.2 | 134.8 | 172.4 | -175.8 | 0 | 0 | 0 | 0 | 106.8 | S1461 K1462 L1482 T1504 M1508 | S1461-V1479 CarbonylContact C-O 3.58Å; S1461-V1479 VanDerWaalsContact CA-O 3.28Å; S1461-V1479 WeakPolarHBondContact CA-O 3.44Å; K1462-V1479 HydrophobicContact CB-CB 4.33Å; K1462-V1479 PolarHBondContact N-O 3.39Å; K1462-V1479 PolarHBondContact O-N 3.48Å; K1462-V1479 VanDerWaalsContact O-N 3.15Å; V1479-L1482 HydrophobicContact CG1-CB 3.78Å; V1479-L1482 HydrophobicContact CG1-CD2 4.24Å; V1479-T1504 HydrophobicContact CG2-CG2 4.16Å; V1479-M1508 HydrophobicContact CB-CE 4.04Å; V1479-M1508 HydrophobicContact CG1-CE 4.17Å; V1479-M1508 HydrophobicContact CG2-CE 3.83Å |
| 1480 | D | 86.4 | Confident | 75.4 | Confident | 31 Ų | 31 | 72.1 Ų | 72.1 | 17% | 0.166 | 36% | 0.358 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.8 | 110.2 | -175.1 | -173.3 | 24.3 | 0 | 0 | 0 | 111.2 | P1477 L1482 G1670 R1671 | P1477-D1480 HydrophobicContact CB-CB 4.27Å; D1480-L1482 VanDerWaalsContact C-N 3.33Å; D1480-L1482 PolarHBondContact O-N 2.89Å; D1480-G1670 PolarHBondContact N-O 2.99Å; D1480-R1671 HydrophobicContact CB-CG 4.02Å; D1480-R1671 IonicContact OD2-CZ 3.7Å; D1480-R1671 IonicContact OD2-NE 2.8Å; D1480-R1671 PolarHBondContact OD2-NE 2.9Å; D1480-R1671 IonicContact OD2-NH2 2.82Å; D1480-R1671 PolarHBondContact OD2-NH2 3.3Å |
| 1481 | R | 86.3 | Confident | 77.7 | Confident | 84 Ų | 84 | 61.9 Ų | 61.9 | 32% | 0.317 | 32% | 0.319 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 48.6 | 48.3 | 175.7 | -61.8 | -175 | -66.6 | -132.1 | 9.5 | 113.7 | V1460 S1461 S1483 | V1460-R1481 PolarHBondContact O-N 3.4Å; S1461-R1481 PolarHBondContact OG-N 3.07Å; R1481-S1483 PolarHBondContact O-N 3Å |
| 1482 | L | 89.5 | Confident | 80 | Confident | 3 Ų | 3 | 58.2 Ų | 58.2 | 2% | 0.016 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 120.7 | 177.2 | -163.6 | 77.7 | 0 | 0 | 0 | 110.1 | L1457 R1459 V1460 V1479 D1480 T1505 I1667 M1672 | L1457-L1482 HydrophobicContact CD1-CD2 3.87Å; R1459-L1482 PolarHBondContact N-O 3.25Å; V1460-L1482 PolarHBondContact N-O 2.02Å; V1460-L1482 PolarHBondContact O-N 3.1Å; V1479-L1482 HydrophobicContact CG1-CB 3.78Å; V1479-L1482 HydrophobicContact CG1-CD2 4.24Å; D1480-L1482 VanDerWaalsContact C-N 3.33Å; D1480-L1482 PolarHBondContact O-N 2.89Å; L1482-T1505 HydrophobicContact CD2-CG2 3.62Å; L1482-I1667 HydrophobicContact CD1-CD1 3.94Å; L1482-I1667 HydrophobicContact CD1-CG1 4.49Å; L1482-I1667 HydrophobicContact CD2-CD1 4.43Å; L1482-M1672 HydrophobicContact CD1-CE 3.98Å; L1482-M1672 HydrophobicContact CD1-CG 3.65Å; L1482-M1672 HydrophobicContact CD1-SD 4.4Å; L1482-M1672 HydrophobicContact CG-CE 4.4Å |
| 1483 | S | 91.1 | Very high | 82.3 | Confident | 1 Ų | 1 | 47.8 Ų | 47.8 | 1% | 0.007 | 25% | 0.249 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 114.6 | 177.2 | -66.6 | 0 | 0 | 0 | 0 | 109.7 | E1442 L1457 R1459 R1481 M1672 | E1442-S1483 PolarHBondContact OE1-OG 2.93Å; L1457-S1483 CarbonylContact O-C 3.57Å; L1457-S1483 VanDerWaalsContact O-CA 3.23Å; L1457-S1483 WeakPolarHBondContact O-CA 3.06Å; R1459-S1483 PolarHBondContact N-OG 3.46Å; R1481-S1483 PolarHBondContact O-N 3Å; S1483-M1672 WeakPolarHBondContact O-CE 3.48Å |
| 1484 | L | 91.4 | Very high | 84.5 | Confident | 2 Ų | 2 | 39.7 Ų | 39.7 | 1% | 0.01 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 137 | -171.8 | 175.8 | 69.8 | 0 | 0 | 0 | 110.3 | A1456 L1457 I1486 F1492 M1672 | A1456-L1484 CarbonylContact C-O 3.51Å; A1456-L1484 WeakPolarHBondContact CA-O 3.48Å; L1457-L1484 HydrophobicContact CB-CB 4.29Å; L1457-L1484 HydrophobicContact CD1-CB 4.17Å; L1457-L1484 HydrophobicContact CD1-CD2 4.15Å; L1457-L1484 PolarHBondContact N-O 3.05Å; L1457-L1484 PolarHBondContact O-N 2.93Å; L1484-I1486 HydrophobicContact CD2-CD1 4.04Å; L1484-I1486 HydrophobicContact CD2-CG1 4.21Å; L1484-I1486 HydrophobicContact CG-CG1 4.15Å; L1484-F1492 HydrophobicContact CD1-CE1 3.93Å; L1484-F1492 HydrophobicContact CD1-CE2 3.83Å; L1484-F1492 HydrophobicContact CD1-CZ 3.42Å; L1484-F1492 VanDerWaalsContact CD1-CZ 3.42Å; L1484-F1492 HydrophobicContact CD2-CD1 4.07Å; L1484-F1492 HydrophobicContact CD2-CE1 3.46Å; L1484-F1492 VanDerWaalsContact CD2-CE1 3.46Å; L1484-F1492 HydrophobicContact CD2-CZ 3.88Å; L1484-F1492 HydrophobicContact CG-CE1 4.33Å; L1484-F1492 HydrophobicContact CG-CZ 4.3Å; L1484-M1672 HydrophobicContact CB-CE 4.06Å; L1484-M1672 HydrophobicContact CD1-CE 4.4Å; L1484-M1672 HydrophobicContact CD1-SD 4.45Å |
| 1485 | A | 90.9 | Very high | 86.2 | Confident | 10 Ų | 10 | 35 Ų | 35 | 8% | 0.083 | 18% | 0.179 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.7 | 133.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | V1441 T1453 | V1441-A1485 HydrophobicContact CG1-CB 4.39Å; V1441-A1485 HydrophobicContact CG2-CB 3.61Å; T1453-A1485 HydrophobicContact CG2-CB 4.01Å |
| 1486 | I | 92.3 | Very high | 87.2 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 114.3 | -176.8 | -51.1 | 178.3 | 0 | 0 | 0 | 109.9 | S1454 L1455 L1484 E1490 F1492 T1646 V1648 | S1454-I1486 PolarHBondContact N-O 3.17Å; S1454-I1486 PolarHBondContact OG-O 3.11Å; L1455-I1486 HydrophobicContact CB-CB 4.38Å; L1455-I1486 HydrophobicContact CB-CD1 4.42Å; L1455-I1486 HydrophobicContact CD2-CD1 3.91Å; L1455-I1486 PolarHBondContact N-O 3.34Å; L1455-I1486 PolarHBondContact O-N 2.69Å; L1484-I1486 HydrophobicContact CD2-CD1 4.04Å; L1484-I1486 HydrophobicContact CD2-CG1 4.21Å; L1484-I1486 HydrophobicContact CG-CG1 4.15Å; I1486-E1490 HydrophobicContact CG2-CB 4.12Å; I1486-F1492 HydrophobicContact CD1-CB 3.77Å; I1486-F1492 HydrophobicContact CD1-CD1 3.76Å; I1486-F1492 HydrophobicContact CD1-CG 3.8Å; I1486-F1492 HydrophobicContact CG1-CB 4.37Å; I1486-F1492 HydrophobicContact CG1-CG 4.26Å; I1486-F1492 HydrophobicContact CG2-CB 4.26Å; I1486-T1646 HydrophobicContact CG2-CG2 3.71Å; I1486-V1648 HydrophobicContact CD1-CB 4.45Å; I1486-V1648 HydrophobicContact CD1-CG1 4.12Å; I1486-V1648 HydrophobicContact CD1-CG2 3.49Å; I1486-V1648 VanDerWaalsContact CD1-CG2 3.49Å |
| 1487 | P | 88.9 | Confident | 87.6 | Confident | 47 Ų | 47 | 20.8 Ų | 20.8 | 31% | 0.305 | 12% | 0.123 | S | C | . | . | trans | -69.9 | 163.9 | 175.9 | 30.3 | -34.2 | 0 | 0 | 0 | 112.3 | S1454 E1490 | S1454-P1487 VanDerWaalsContact OG-C 3.24Å; S1454-P1487 PolarHBondContact OG-O 3.37Å; S1454-P1487 VanDerWaalsContact OG-O 3.13Å; P1487-E1490 WeakPolarHBondContact CD-OE2 3.09Å; P1487-E1490 HydrophobicContact CG-CB 4.21Å; P1487-E1490 WeakPolarHBondContact CG-OE2 3.32Å | ||
| 1488 | P | 88.3 | Confident | 87.5 | Confident | 79 Ų | 79 | 21.3 Ų | 21.3 | 51% | 0.513 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 148.1 | 178.2 | 24.4 | -32.5 | 0 | 0 | 0 | 112.8 | Q1452 S1454 E1490 T1646 | Q1452-P1488 VanDerWaalsContact O-CD 3.31Å; Q1452-P1488 WeakPolarHBondContact O-CD 3.49Å; S1454-P1488 WeakPolarHBondContact OG-CA 3.3Å; P1488-E1490 PolarHBondContact O-N 2.63Å; P1488-T1646 WeakPolarHBondContact CA-OG1 3.19Å |
| 1489 | S | 86.7 | Confident | 87.1 | Confident | 52 Ų | 52 | 24 Ų | 24 | 36% | 0.364 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.9 | 11.5 | 179.8 | -44.5 | 0 | 0 | 0 | 0 | 116 | R1641 G1644 T1646 | S1489-R1641 PolarHBondContact O-NE 2.99Å; S1489-G1644 WeakPolarHBondContact OG-CA 3.36Å; S1489-G1644 PolarHBondContact OG-O 2.9Å; S1489-T1646 PolarHBondContact N-OG1 2.86Å |
| 1490 | E | 87.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 24.1 Ų | 24.1 | 10% | 0.103 | 15% | 0.154 | C | C | . | . | trans | -87.7 | 147.9 | 172.3 | -162 | 177.8 | 142.8 | 0 | 0 | 111.2 | I1486 P1487 P1488 L1647 S1662 R1663 | I1486-E1490 HydrophobicContact CG2-CB 4.12Å; P1487-E1490 WeakPolarHBondContact CD-OE2 3.09Å; P1487-E1490 HydrophobicContact CG-CB 4.21Å; P1487-E1490 WeakPolarHBondContact CG-OE2 3.32Å; P1488-E1490 PolarHBondContact O-N 2.63Å; E1490-L1647 PolarHBondContact O-N 2.88Å; E1490-S1662 VanDerWaalsContact CG-OG 3.23Å; E1490-S1662 WeakPolarHBondContact CG-OG 3.02Å; E1490-R1663 VanDerWaalsContact OE1-CB 3.29Å; E1490-R1663 WeakPolarHBondContact OE1-CB 3.47Å; E1490-R1663 IonicContact OE1-CZ 4Å; E1490-R1663 IonicContact OE1-NE 2.78Å; E1490-R1663 IonicContact OE1-NH1 3.29Å; E1490-R1663 PolarHBondContact OE1-NH1 3.27Å; E1490-R1663 IonicContact OE2-NH1 2.7Å; E1490-R1663 PolarHBondContact OE2-NH1 3Å | ||
| 1491 | C | 90.2 | Very high | 86.6 | Confident | 1 Ų | 1 | 22.8 Ų | 22.8 | 1% | 0.007 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 113 | 165.9 | -174.2 | 0 | 0 | 0 | 0 | 109.3 | L1647 L1660 C1661 S1662 R1663 | C1491-L1647 WeakPolarHBondContact CA-O 2.97Å; C1491-L1647 HydrophobicContact CB-CB 4.06Å; C1491-L1647 HydrophobicContact CB-CD1 4.36Å; C1491-L1660 WeakPolarHBondContact CB-O 3.17Å; C1491-L1660 PolarHBondContact SG-O 3.43Å; C1491-C1661 WeakPolarHBondContact O-CA 3.13Å; C1491-S1662 PolarHBondContact N-OG 3.28Å; C1491-S1662 PolarHBondContact O-N 3.36Å; C1491-S1662 PolarHBondContact O-OG 2.78Å; C1491-R1663 PolarHBondContact O-N 3.48Å |
| 1492 | F | 92.8 | Very high | 86.7 | Confident | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 13% | 0.134 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 127.4 | -174.1 | -175.4 | -97 | 0 | 0 | 0 | 111.6 | L1484 I1486 L1494 L1647 V1648 L1649 R1663 L1675 | L1484-F1492 HydrophobicContact CD1-CE1 3.93Å; L1484-F1492 HydrophobicContact CD1-CE2 3.83Å; L1484-F1492 HydrophobicContact CD1-CZ 3.42Å; L1484-F1492 VanDerWaalsContact CD1-CZ 3.42Å; L1484-F1492 HydrophobicContact CD2-CD1 4.07Å; L1484-F1492 HydrophobicContact CD2-CE1 3.46Å; L1484-F1492 VanDerWaalsContact CD2-CE1 3.46Å; L1484-F1492 HydrophobicContact CD2-CZ 3.88Å; L1484-F1492 HydrophobicContact CG-CE1 4.33Å; L1484-F1492 HydrophobicContact CG-CZ 4.3Å; I1486-F1492 HydrophobicContact CD1-CB 3.77Å; I1486-F1492 HydrophobicContact CD1-CD1 3.76Å; I1486-F1492 HydrophobicContact CD1-CG 3.8Å; I1486-F1492 HydrophobicContact CG1-CB 4.37Å; I1486-F1492 HydrophobicContact CG1-CG 4.26Å; I1486-F1492 HydrophobicContact CG2-CB 4.26Å; F1492-L1494 HydrophobicContact CE1-CD1 3.66Å; F1492-L1494 HydrophobicContact CZ-CD1 4.46Å; F1492-L1647 PolarHBondContact N-O 2.88Å; F1492-V1648 HydrophobicContact CD1-CG1 4.41Å; F1492-L1649 PolarHBondContact O-N 2.61Å; F1492-R1663 WeakPolarHBondContact CA-O 3.45Å; F1492-R1663 HydrophobicContact CD2-CB 4.09Å; F1492-R1663 HydrophobicContact CE2-CB 4.46Å; F1492-L1675 HydrophobicContact CE2-CD1 3.71Å; F1492-L1675 HydrophobicContact CZ-CD1 4.13Å |
| 1493 | G | 92.1 | Very high | 86.5 | Confident | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.7 | 127.4 | -180 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1649 C1661 R1663 V1664 S1665 | G1493-L1649 CarbonylContact C-O 3.59Å; G1493-L1649 WeakPolarHBondContact CA-O 3.26Å; G1493-C1661 WeakPolarHBondContact CA-SG 3.16Å; G1493-C1661 PolarHBondContact N-SG 2.73Å; G1493-R1663 PolarHBondContact N-O 3.17Å; G1493-V1664 CarbonylContact O-C 3.4Å; G1493-V1664 WeakPolarHBondContact O-CA 3.44Å; G1493-S1665 PolarHBondContact O-N 2.81Å |
| 1494 | L | 90.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 21.5 Ų | 21.5 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.7 | 101.1 | 173.7 | -148.9 | 88 | 0 | 0 | 0 | 109.3 | F1492 K1502 F1506 L1649 S1650 I1667 | F1492-L1494 HydrophobicContact CE1-CD1 3.66Å; F1492-L1494 HydrophobicContact CZ-CD1 4.46Å; L1494-K1502 HydrophobicContact CD2-CB 4.16Å; L1494-K1502 HydrophobicContact CD2-CG 4.1Å; L1494-K1502 WeakPolarHBondContact O-CD 3.29Å; L1494-F1506 HydrophobicContact CD2-CE2 4.38Å; L1494-L1649 PolarHBondContact N-O 3.43Å; L1494-S1650 WeakPolarHBondContact O-CA 3.39Å; L1494-I1667 HydrophobicContact CD1-CD1 3.78Å; L1494-I1667 HydrophobicContact CD1-CG1 4.45Å; L1494-I1667 HydrophobicContact CD2-CD1 3.61Å; L1494-I1667 HydrophobicContact CG-CD1 3.65Å; L1494-I1667 HydrophobicContact CG-CG1 4.31Å |
| 1495 | L | 87 | Confident | 86.4 | Confident | 1 Ų | 1 | 21.5 Ų | 21.5 | 1% | 0.005 | 15% | 0.148 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 153.6 | 177.9 | -70.1 | 177.4 | 0 | 0 | 0 | 111.3 | S1651 M1654 C1657 V1664 S1665 I1666 I1667 L1804 | L1495-S1651 WeakPolarHBondContact CD2-O 3.48Å; L1495-M1654 HydrophobicContact CD1-CE 3.9Å; L1495-M1654 HydrophobicContact CD1-SD 4.14Å; L1495-M1654 HydrophobicContact CD2-CE 4.35Å; L1495-M1654 HydrophobicContact CD2-SD 3.83Å; L1495-C1657 HydrophobicContact CD2-CB 4.26Å; L1495-C1657 WeakPolarHBondContact CD2-SG 3.49Å; L1495-V1664 HydrophobicContact CB-CG1 4.34Å; L1495-V1664 HydrophobicContact CD1-CG1 3.28Å; L1495-V1664 HydrophobicContact CG-CG1 3.54Å; L1495-S1665 PolarHBondContact N-O 2.76Å; L1495-I1666 HydrophobicContact CB-CG1 4.1Å; L1495-I1666 HydrophobicContact CD1-CG1 4.23Å; L1495-I1667 PolarHBondContact O-N 3.19Å; L1495-L1804 HydrophobicContact CD1-CD2 4.25Å |
| 1496 | G | 82.5 | Confident | 86.4 | Confident | 1 Ų | 1 | 21 Ų | 21 | 1% | 0.01 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 169.6 | 162.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1502 H1652 I1667 F1808 | G1496-K1502 VanDerWaalsContact C-NZ 3.25Å; G1496-K1502 PolarHBondContact O-NZ 3.41Å; G1496-H1652 PolarHBondContact O-ND1 2.8Å; G1496-I1667 WeakPolarHBondContact CA-O 3.5Å; G1496-F1808 VanDerWaalsContact C-CZ 3.41Å |
| 1497 | V | 77.2 | Confident | 86.2 | Confident | 19 Ų | 19 | 24.6 Ų | 24.6 | 12% | 0.115 | 16% | 0.158 | C | C | . | . | trans | -67.3 | 166.2 | 171.6 | -67 | 0 | 0 | 0 | 0 | 112.2 | G1499 A1500 K1502 F1808 I1812 | V1497-G1499 PolarHBondContact O-N 3.42Å; V1497-A1500 HydrophobicContact CG2-CB 3.94Å; V1497-A1500 VanDerWaalsContact O-CB 3.29Å; V1497-A1500 WeakPolarHBondContact O-CB 3.35Å; V1497-A1500 PolarHBondContact O-N 2.89Å; V1497-A1500 VanDerWaalsContact O-N 3.1Å; V1497-K1502 PolarHBondContact O-NZ 2.92Å; V1497-F1808 HydrophobicContact CG1-CE1 4.4Å; V1497-F1808 HydrophobicContact CG1-CZ 4.1Å; V1497-I1812 HydrophobicContact CG1-CD1 3.27Å; V1497-I1812 HydrophobicContact CG1-CG1 3.91Å; V1497-I1812 HydrophobicContact CG1-CG2 4.04Å | ||
| 1498 | N | 75.1 | Confident | 86.2 | Confident | 70 Ų | 70 | 22.5 Ų | 22.5 | 37% | 0.374 | 14% | 0.144 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 121.9 | 169.6 | -87 | -36.1 | 0 | 0 | 0 | 109.6 | D726 H1652 | D726-N1498 HydrophobicContact CB-CB 4.15Å; D726-N1498 PolarHBondContact N-ND2 3.19Å; D726-N1498 PolarHBondContact OD2-N 3.39Å; N1498-H1652 PolarHBondContact OD1-CE1 3.1Å; N1498-H1652 PolarHBondContact OD1-NE2 3.36Å |
| 1499 | G | 73.7 | Confident | 86.3 | Confident | 76 Ų | 76 | 19 Ų | 19 | 78% | 0.784 | 12% | 0.121 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 92.3 | 0.3 | -175.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | V1497 G1501 | V1497-G1499 PolarHBondContact O-N 3.42Å; G1499-G1501 PolarHBondContact O-N 2.73Å; G1499-G1501 VanDerWaalsContact O-N 3.16Å |
| 1500 | A | 80.5 | Confident | 86.4 | Confident | 3 Ų | 3 | 16.5 Ų | 16.5 | 3% | 0.025 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -66.6 | -11.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | V1497 I1667 G1670 | V1497-A1500 HydrophobicContact CG2-CB 3.94Å; V1497-A1500 VanDerWaalsContact O-CB 3.29Å; V1497-A1500 WeakPolarHBondContact O-CB 3.35Å; V1497-A1500 PolarHBondContact O-N 2.89Å; V1497-A1500 VanDerWaalsContact O-N 3.1Å; A1500-I1667 HydrophobicContact CB-CG2 4.26Å; A1500-I1667 VanDerWaalsContact O-CG2 3.27Å; A1500-I1667 WeakPolarHBondContact O-CG2 3.47Å; A1500-G1670 VanDerWaalsContact O-CA 3.3Å; A1500-G1670 WeakPolarHBondContact O-CA 3.14Å; A1500-G1670 PolarHBondContact O-N 3.15Å; A1500-G1670 VanDerWaalsContact O-N 3.11Å |
| 1501 | G | 84.6 | Confident | 86.1 | Confident | 3 Ų | 3 | 15.7 Ų | 15.7 | 3% | 0.031 | 10% | 0.101 | C | C | . | . | S | Bend | trans | 110.7 | 1.8 | 179.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | A1478 G1499 T1504 T1505 | A1478-G1501 VanDerWaalsContact O-CA 3.29Å; A1478-G1501 WeakPolarHBondContact O-CA 3.27Å; G1499-G1501 PolarHBondContact O-N 2.73Å; G1499-G1501 VanDerWaalsContact O-N 3.16Å; G1501-T1504 WeakPolarHBondContact O-CB 3.44Å; G1501-T1504 PolarHBondContact O-N 3.4Å; G1501-T1505 PolarHBondContact O-N 3.24Å; G1501-T1505 PolarHBondContact O-OG1 3.27Å |
| 1502 | K | 87.2 | Confident | 85.6 | Confident | 8 Ų | 8 | 17.9 Ų | 17.9 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -56.3 | -63.1 | -177.8 | -59.5 | -171.7 | -62.5 | -69.6 | 0 | 113.8 | L1494 G1496 V1497 T1504 T1505 F1506 H1652 | L1494-K1502 HydrophobicContact CD2-CB 4.16Å; L1494-K1502 HydrophobicContact CD2-CG 4.1Å; L1494-K1502 WeakPolarHBondContact O-CD 3.29Å; G1496-K1502 VanDerWaalsContact C-NZ 3.25Å; G1496-K1502 PolarHBondContact O-NZ 3.41Å; V1497-K1502 PolarHBondContact O-NZ 2.92Å; K1502-T1504 PolarHBondContact O-N 3.17Å; K1502-T1505 WeakPolarHBondContact O-CA 3.38Å; K1502-T1505 VanDerWaalsContact O-CB 3.26Å; K1502-T1505 WeakPolarHBondContact O-CB 3.3Å; K1502-T1505 PolarHBondContact O-N 2.85Å; K1502-F1506 PolarHBondContact O-N 2.96Å; K1502-H1652 PolarHBondContact NZ-CE1 3.34Å; K1502-H1652 PolarHBondContact NZ-ND1 3.12Å |
| 1503 | T | 86.1 | Confident | 85.1 | Confident | 28 Ų | 28 | 19.5 Ų | 19.5 | 17% | 0.172 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.2 | -33.3 | 177.2 | -52.3 | 0 | 0 | 0 | 0 | 111.9 | T1505 F1506 R1507 D1619 | T1503-T1505 VanDerWaalsContact C-N 3.32Å; T1503-F1506 PolarHBondContact O-N 3.36Å; T1503-R1507 WeakPolarHBondContact O-CB 3.4Å; T1503-R1507 VanDerWaalsContact O-CG 3.32Å; T1503-R1507 WeakPolarHBondContact O-CG 3.28Å; T1503-R1507 PolarHBondContact O-N 3.44Å; T1503-D1619 WeakPolarHBondContact CG2-OD2 3.42Å; T1503-D1619 PolarHBondContact OG1-OD2 2.86Å |
| 1504 | T | 88.8 | Confident | 84.5 | Confident | 25 Ų | 25 | 23.2 Ų | 23.2 | 15% | 0.153 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 173.8 | -46.8 | 0 | 0 | 0 | 0 | 111.1 | K1462 Y1464 A1478 V1479 G1501 K1502 R1507 M1508 L1513 | K1462-T1504 HydrophobicContact CB-CG2 4.11Å; K1462-T1504 HydrophobicContact CG-CG2 3.95Å; Y1464-T1504 HydrophobicContact CE2-CG2 3.78Å; A1478-T1504 HydrophobicContact CB-CG2 4.24Å; V1479-T1504 HydrophobicContact CG2-CG2 4.16Å; G1501-T1504 WeakPolarHBondContact O-CB 3.44Å; G1501-T1504 PolarHBondContact O-N 3.4Å; K1502-T1504 PolarHBondContact O-N 3.17Å; T1504-R1507 PolarHBondContact O-N 2.93Å; T1504-M1508 WeakPolarHBondContact O-CG 3.46Å; T1504-M1508 PolarHBondContact O-N 3.38Å; T1504-L1513 HydrophobicContact CG2-CD2 3.78Å |
| 1505 | T | 90.9 | Very high | 84.2 | Confident | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -64.2 | -45.9 | 176.9 | -50.3 | 0 | 0 | 0 | 0 | 110.7 | L1457 L1482 G1501 K1502 T1503 R1507 M1508 I1509 | L1457-T1505 HydrophobicContact CD1-CG2 4.1Å; L1482-T1505 HydrophobicContact CD2-CG2 3.62Å; G1501-T1505 PolarHBondContact O-N 3.24Å; G1501-T1505 PolarHBondContact O-OG1 3.27Å; K1502-T1505 WeakPolarHBondContact O-CA 3.38Å; K1502-T1505 VanDerWaalsContact O-CB 3.26Å; K1502-T1505 WeakPolarHBondContact O-CB 3.3Å; K1502-T1505 PolarHBondContact O-N 2.85Å; T1503-T1505 VanDerWaalsContact C-N 3.32Å; T1505-R1507 PolarHBondContact O-N 3.14Å; T1505-M1508 WeakPolarHBondContact O-CB 3.16Å; T1505-M1508 PolarHBondContact O-N 3.31Å; T1505-M1508 VanDerWaalsContact O-N 3.07Å; T1505-I1509 HydrophobicContact CG2-CD1 4.13Å; T1505-I1509 WeakPolarHBondContact O-CG1 3.46Å; T1505-I1509 PolarHBondContact O-N 3.15Å |
| 1506 | F | 91.1 | Very high | 84.1 | Confident | 1 Ų | 1 | 27.4 Ų | 27.4 | 0% | 0.004 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.9 | -39.3 | 175.5 | -86.9 | -112.6 | 0 | 0 | 0 | 112.8 | L1494 K1502 T1503 M1508 I1509 T1510 Y1540 C1617 D1619 V1648 | L1494-F1506 HydrophobicContact CD2-CE2 4.38Å; K1502-F1506 PolarHBondContact O-N 2.96Å; T1503-F1506 PolarHBondContact O-N 3.36Å; F1506-M1508 PolarHBondContact O-N 3.03Å; F1506-I1509 PolarHBondContact O-N 3.23Å; F1506-T1510 WeakPolarHBondContact O-CB 3.41Å; F1506-T1510 VanDerWaalsContact O-CG2 3.31Å; F1506-T1510 WeakPolarHBondContact O-CG2 3.38Å; F1506-T1510 PolarHBondContact O-N 3.07Å; F1506-T1510 PolarHBondContact O-OG1 2.68Å; F1506-Y1540 HydrophobicContact CD1-CE2 4.12Å; F1506-C1617 HydrophobicContact CD1-CB 3.83Å; F1506-C1617 HydrophobicContact CE1-CB 3.62Å; F1506-D1619 HydrophobicContact CD1-CB 4.16Å; F1506-V1648 HydrophobicContact CE2-CG1 4.37Å; F1506-V1648 HydrophobicContact CZ-CB 4.5Å; F1506-V1648 HydrophobicContact CZ-CG1 3.88Å; F1506-V1648 WeakPolarHBondContact CZ-O 3.27Å |
| 1507 | R | 87.5 | Confident | 84.3 | Confident | 75 Ų | 75 | 30.2 Ų | 30.2 | 28% | 0.283 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -63.8 | -30 | 173.5 | -77 | -179.9 | 169.5 | 173.2 | 0.4 | 113 | T1503 T1504 T1505 T1510 G1511 D1512 L1513 | T1503-R1507 WeakPolarHBondContact O-CB 3.4Å; T1503-R1507 VanDerWaalsContact O-CG 3.32Å; T1503-R1507 WeakPolarHBondContact O-CG 3.28Å; T1503-R1507 PolarHBondContact O-N 3.44Å; T1504-R1507 PolarHBondContact O-N 2.93Å; T1505-R1507 PolarHBondContact O-N 3.14Å; R1507-T1510 WeakPolarHBondContact CA-OG1 3.27Å; R1507-T1510 PolarHBondContact O-OG1 3.23Å; R1507-G1511 PolarHBondContact O-N 3.24Å; R1507-D1512 HydrophobicContact CB-CB 4.31Å; R1507-D1512 HydrophobicContact CG-CB 4.32Å; R1507-D1512 IonicContact NE-OD2 2.65Å; R1507-D1512 PolarHBondContact O-N 3.01Å; R1507-L1513 HydrophobicContact CB-CB 3.86Å; R1507-L1513 PolarHBondContact O-N 2.85Å |
| 1508 | M | 90.3 | Very high | 84.7 | Confident | 2 Ų | 2 | 30.3 Ų | 30.3 | 1% | 0.01 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -73.8 | -44.2 | 172.2 | -68.1 | -174.5 | -65.1 | 0 | 0 | 112.2 | V1460 K1462 V1479 T1504 T1505 F1506 T1510 G1511 L1513 P1515 I1520 | V1460-M1508 HydrophobicContact CG1-CE 3.73Å; V1460-M1508 HydrophobicContact CG1-SD 3.87Å; K1462-M1508 HydrophobicContact CB-CE 4.2Å; K1462-M1508 HydrophobicContact CB-SD 3.82Å; K1462-M1508 HydrophobicContact CD-SD 4.27Å; K1462-M1508 HydrophobicContact CG-SD 4.39Å; V1479-M1508 HydrophobicContact CB-CE 4.04Å; V1479-M1508 HydrophobicContact CG1-CE 4.17Å; V1479-M1508 HydrophobicContact CG2-CE 3.83Å; T1504-M1508 WeakPolarHBondContact O-CG 3.46Å; T1504-M1508 PolarHBondContact O-N 3.38Å; T1505-M1508 WeakPolarHBondContact O-CB 3.16Å; T1505-M1508 PolarHBondContact O-N 3.31Å; T1505-M1508 VanDerWaalsContact O-N 3.07Å; F1506-M1508 PolarHBondContact O-N 3.03Å; M1508-T1510 VanDerWaalsContact C-N 3.32Å; M1508-T1510 PolarHBondContact O-N 3.38Å; M1508-G1511 PolarHBondContact O-N 2.93Å; M1508-L1513 WeakPolarHBondContact CA-O 3.49Å; M1508-L1513 HydrophobicContact CG-CB 4.27Å; M1508-L1513 HydrophobicContact CG-CD2 3.94Å; M1508-P1515 HydrophobicContact SD-CB 3.85Å; M1508-I1520 HydrophobicContact CB-CD1 3.77Å |
| 1509 | I | 90.4 | Very high | 85.3 | Confident | 5 Ų | 5 | 31.5 Ų | 31.5 | 3% | 0.026 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -61.6 | -40.1 | 177.5 | -65.1 | 161.7 | 0 | 0 | 0 | 111.5 | L1455 L1457 T1505 F1506 G1511 I1520 V1522 L1527 | L1455-I1509 HydrophobicContact CD1-CG1 4.37Å; L1455-I1509 HydrophobicContact CD1-CG2 3.92Å; L1455-I1509 HydrophobicContact CD2-CD1 3.94Å; L1457-I1509 HydrophobicContact CD1-CD1 4.44Å; L1457-I1509 HydrophobicContact CD2-CG1 4.06Å; T1505-I1509 HydrophobicContact CG2-CD1 4.13Å; T1505-I1509 WeakPolarHBondContact O-CG1 3.46Å; T1505-I1509 PolarHBondContact O-N 3.15Å; F1506-I1509 PolarHBondContact O-N 3.23Å; I1509-G1511 VanDerWaalsContact C-N 3.34Å; I1509-I1520 HydrophobicContact CG1-CG2 4.48Å; I1509-V1522 HydrophobicContact CG2-CG2 4.27Å; I1509-L1527 WeakPolarHBondContact O-CD1 3.39Å; I1509-L1527 WeakPolarHBondContact O-CD2 3.21Å |
| 1510 | T | 88.1 | Confident | 86.1 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -14.2 | 179 | 53.3 | 0 | 0 | 0 | 0 | 113.6 | F1506 R1507 M1508 Q1535 L1538 Y1540 | F1506-T1510 WeakPolarHBondContact O-CB 3.41Å; F1506-T1510 VanDerWaalsContact O-CG2 3.31Å; F1506-T1510 WeakPolarHBondContact O-CG2 3.38Å; F1506-T1510 PolarHBondContact O-N 3.07Å; F1506-T1510 PolarHBondContact O-OG1 2.68Å; R1507-T1510 WeakPolarHBondContact CA-OG1 3.27Å; R1507-T1510 PolarHBondContact O-OG1 3.23Å; M1508-T1510 VanDerWaalsContact C-N 3.32Å; M1508-T1510 PolarHBondContact O-N 3.38Å; T1510-Q1535 PolarHBondContact O-NE2 3.47Å; T1510-L1538 HydrophobicContact CG2-CD2 3.75Å; T1510-Y1540 HydrophobicContact CG2-CD1 3.75Å; T1510-Y1540 HydrophobicContact CG2-CD2 3.52Å; T1510-Y1540 HydrophobicContact CG2-CE1 3.91Å; T1510-Y1540 HydrophobicContact CG2-CE2 3.73Å; T1510-Y1540 HydrophobicContact CG2-CG 3.54Å |
| 1511 | G | 81.5 | Confident | 86.6 | Confident | 5 Ų | 5 | 28 Ų | 28 | 5% | 0.052 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 15.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.8 | R1388 R1507 M1508 I1509 | R1388-G1511 PolarHBondContact NH2-O 3.28Å; R1507-G1511 PolarHBondContact O-N 3.24Å; M1508-G1511 PolarHBondContact O-N 2.93Å; I1509-G1511 VanDerWaalsContact C-N 3.34Å |
| 1512 | D | 79 | Confident | 86.9 | Confident | 48 Ų | 48 | 27.9 Ų | 27.9 | 26% | 0.257 | 16% | 0.156 | S | C | . | . | S | Bend | trans | -67.3 | -30.5 | 165.9 | -161.8 | 24 | 0 | 0 | 0 | 110.5 | K1171 H1174 R1507 | K1171-D1512 IonicContact NZ-OD1 3.93Å; K1171-D1512 PolarHBondContact NZ-OD1 3.36Å; K1171-D1512 IonicContact NZ-OD2 3.56Å; K1171-D1512 PolarHBondContact NZ-OD2 3.09Å; H1174-D1512 IonicContact ND1-OD1 2.62Å; R1507-D1512 HydrophobicContact CB-CB 4.31Å; R1507-D1512 HydrophobicContact CG-CB 4.32Å; R1507-D1512 IonicContact NE-OD2 2.65Å; R1507-D1512 PolarHBondContact O-N 3.01Å |
| 1513 | L | 81.8 | Confident | 86.9 | Confident | 34 Ų | 34 | 29.9 Ų | 29.9 | 18% | 0.178 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -127 | 128.3 | -180 | -162.5 | 88 | 0 | 0 | 0 | 110.7 | K1462 Y1464 T1504 R1507 M1508 | K1462-L1513 HydrophobicContact CD-CD2 3.55Å; K1462-L1513 HydrophobicContact CD-CG 4.27Å; K1462-L1513 HydrophobicContact CG-CD2 3.71Å; Y1464-L1513 HydrophobicContact CE1-CD1 4.48Å; Y1464-L1513 WeakPolarHBondContact OH-CD1 3.4Å; Y1464-L1513 WeakPolarHBondContact OH-CD2 3.35Å; T1504-L1513 HydrophobicContact CG2-CD2 3.78Å; R1507-L1513 HydrophobicContact CB-CB 3.86Å; R1507-L1513 PolarHBondContact O-N 2.85Å; M1508-L1513 WeakPolarHBondContact CA-O 3.49Å; M1508-L1513 HydrophobicContact CG-CB 4.27Å; M1508-L1513 HydrophobicContact CG-CD2 3.94Å |
| 1514 | E | 79.5 | Confident | 86.7 | Confident | 78 Ų | 78 | 29 Ų | 29 | 36% | 0.364 | 17% | 0.165 | S | C | . | . | trans | -77.2 | 136.6 | 173 | -84 | 160 | -161.3 | 0 | 0 | 111 | R1388 K1462 | R1388-E1514 WeakPolarHBondContact CD-OE1 3.23Å; R1388-E1514 IonicContact CZ-OE1 3.92Å; R1388-E1514 IonicContact NH1-OE1 3.82Å; R1388-E1514 PolarHBondContact NH1-OE1 3.46Å; K1462-E1514 WeakPolarHBondContact CD-O 3.29Å; K1462-E1514 PolarHBondContact NZ-O 2.83Å | ||
| 1515 | P | 86.1 | Confident | 86.6 | Confident | 28 Ų | 28 | 30.2 Ų | 30.2 | 18% | 0.182 | 17% | 0.169 | C | C | . | . | trans | -65.3 | 147.8 | 174.3 | 27.4 | -32.7 | 0 | 0 | 0 | 111 | V1460 M1508 | V1460-P1515 HydrophobicContact CG1-CB 4.03Å; M1508-P1515 HydrophobicContact SD-CB 3.85Å | ||
| 1516 | S | 83.9 | Confident | 86.4 | Confident | 65 Ų | 65 | 31.1 Ų | 31.1 | 46% | 0.455 | 17% | 0.174 | S | C | . | . | S | Bend | trans | -76.9 | -32.4 | 174.9 | -63.2 | 0 | 0 | 0 | 0 | 111.7 | S1461 T1463 | S1461-S1516 WeakPolarHBondContact O-CA 3.32Å; S1461-S1516 WeakPolarHBondContact O-CB 3.46Å; S1461-S1516 PolarHBondContact O-N 2.86Å; T1463-S1516 PolarHBondContact N-OG 2.83Å |
| 1517 | S | 86.4 | Confident | 86 | Confident | 60 Ų | 60 | 31.8 Ų | 31.8 | 42% | 0.42 | 18% | 0.178 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.9 | 160.6 | 172.7 | 63.7 | 0 | 0 | 0 | 0 | 109.7 | V1460 S1461 | V1460-S1517 WeakPolarHBondContact CA-O 3.23Å; S1461-S1517 VanDerWaalsContact CB-OG 3.27Å; S1461-S1517 WeakPolarHBondContact CB-OG 3.44Å; S1461-S1517 PolarHBondContact N-O 3.47Å; S1461-S1517 PolarHBondContact O-N 2.87Å; S1461-S1517 PolarHBondContact OG-OG 2.89Å |
| 1518 | G | 86.9 | Confident | 85.5 | Confident | 20 Ų | 20 | 33 Ų | 33 | 21% | 0.206 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 93 | 175.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | C1458 R1459 | C1458-G1518 VanDerWaalsContact O-CA 3.29Å; C1458-G1518 WeakPolarHBondContact O-CA 3.25Å; R1459-G1518 WeakPolarHBondContact O-CA 3.33Å |
| 1519 | H | 87.4 | Confident | 85 | Confident | 96 Ų | 96 | 42.9 Ų | 42.9 | 44% | 0.444 | 23% | 0.227 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 146.5 | -175.2 | -56.9 | -71.6 | 0 | 0 | 0 | 111.2 | C1458 V1460 | C1458-H1519 PolarHBondContact N-O 3.27Å; C1458-H1519 PolarHBondContact O-N 2.79Å; C1458-H1519 VanDerWaalsContact O-N 3.1Å; V1460-H1519 WeakPolarHBondContact CG2-O 3.44Å |
| 1520 | I | 90.8 | Very high | 84.5 | Confident | 3 Ų | 3 | 46.2 Ų | 46.2 | 2% | 0.015 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 126.6 | 178.8 | -48.8 | -178.4 | 0 | 0 | 0 | 109 | L1455 A1456 L1457 V1460 M1508 I1509 V1522 L1527 | L1455-I1520 HydrophobicContact CD1-CG2 4.28Å; A1456-I1520 WeakPolarHBondContact O-CA 3.26Å; L1457-I1520 HydrophobicContact CD2-CB 4.17Å; L1457-I1520 HydrophobicContact CD2-CD1 3.93Å; L1457-I1520 HydrophobicContact CD2-CG1 3.72Å; L1457-I1520 HydrophobicContact CD2-CG2 3.62Å; V1460-I1520 HydrophobicContact CG1-CD1 4.19Å; V1460-I1520 HydrophobicContact CG1-CG1 4.39Å; V1460-I1520 HydrophobicContact CG2-CD1 4.49Å; V1460-I1520 HydrophobicContact CG2-CG1 3.86Å; M1508-I1520 HydrophobicContact CB-CD1 3.77Å; I1509-I1520 HydrophobicContact CG1-CG2 4.48Å; I1520-V1522 HydrophobicContact CG2-CG2 4.35Å; I1520-L1527 HydrophobicContact CB-CB 4.4Å; I1520-L1527 HydrophobicContact CB-CD1 3.52Å; I1520-L1527 HydrophobicContact CG2-CD1 3.24Å; I1520-L1527 PolarHBondContact O-N 3.14Å |
| 1521 | I | 90.6 | Very high | 84.2 | Confident | 2 Ų | 2 | 48.6 Ų | 48.6 | 1% | 0.01 | 26% | 0.257 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 125 | 179.8 | -49.6 | 173.6 | 0 | 0 | 0 | 108.3 | Y1446 L1455 A1456 H1525 | Y1446-I1521 HydrophobicContact CD1-CD1 4.26Å; Y1446-I1521 HydrophobicContact CD2-CD1 4.05Å; Y1446-I1521 HydrophobicContact CE1-CD1 3.75Å; Y1446-I1521 HydrophobicContact CE1-CG1 4.4Å; Y1446-I1521 HydrophobicContact CE2-CD1 3.54Å; Y1446-I1521 HydrophobicContact CE2-CG1 4.16Å; Y1446-I1521 HydrophobicContact CG-CD1 4.39Å; Y1446-I1521 WeakPolarHBondContact OH-CG1 3.06Å; L1455-I1521 WeakPolarHBondContact CA-O 2.94Å; A1456-I1521 HydrophobicContact CB-CB 4.31Å; A1456-I1521 PolarHBondContact N-O 3.3Å; A1456-I1521 PolarHBondContact O-N 3.05Å; I1521-H1525 WeakPolarHBondContact CA-O 2.99Å |
| 1522 | V | 90.1 | Very high | 84 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.006 | 28% | 0.276 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 116.6 | 178.7 | 171 | 0 | 0 | 0 | 0 | 108.8 | L1455 I1509 I1520 G1524 H1525 L1527 A1534 L1615 | L1455-V1522 HydrophobicContact CD1-CG2 3.75Å; I1509-V1522 HydrophobicContact CG2-CG2 4.27Å; I1520-V1522 HydrophobicContact CG2-CG2 4.35Å; V1522-G1524 PolarHBondContact O-N 2.89Å; V1522-H1525 PolarHBondContact N-O 3.44Å; V1522-H1525 WeakPolarHBondContact O-CA 3.32Å; V1522-H1525 WeakPolarHBondContact O-CB 3.33Å; V1522-H1525 PolarHBondContact O-N 3.3Å; V1522-L1527 HydrophobicContact CG2-CD1 3.63Å; V1522-A1534 HydrophobicContact CB-CB 4.12Å; V1522-A1534 HydrophobicContact CG1-CB 4.39Å; V1522-L1615 HydrophobicContact CG1-CD2 3.78Å; V1522-L1615 HydrophobicContact CG2-CD2 4.49Å |
| 1523 | V | 87 | Confident | 84.1 | Confident | 50 Ų | 50 | 57.5 Ų | 57.5 | 30% | 0.303 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 47 | 48.8 | 178.3 | -165.7 | 0 | 0 | 0 | 0 | 111.4 | S1454 H1525 P1614 L1615 | S1454-V1523 PolarHBondContact O-N 3.17Å; V1523-H1525 VanDerWaalsContact C-N 3.3Å; V1523-H1525 PolarHBondContact O-N 2.95Å; V1523-P1614 HydrophobicContact CG1-CG 4.22Å; V1523-P1614 HydrophobicContact CG2-CG 4.13Å; V1523-L1615 HydrophobicContact CG2-CB 3.95Å |
| 1524 | G | 83.8 | Confident | 84.2 | Confident | 9 Ų | 9 | 56 Ų | 56 | 9% | 0.093 | 28% | 0.281 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 71 | 14.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 116 | R1450 V1522 | R1450-G1524 VanDerWaalsContact CG-CA 3.43Å; R1450-G1524 VanDerWaalsContact CZ-O 3.25Å; R1450-G1524 PolarHBondContact NE-O 3.06Å; R1450-G1524 PolarHBondContact NH2-O 2.87Å; V1522-G1524 PolarHBondContact O-N 2.89Å |
| 1525 | H | 86.4 | Confident | 84.4 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 23% | 0.231 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 123.7 | 175 | -64.2 | -53.7 | 0 | 0 | 0 | 111.7 | I1521 V1522 V1523 A1534 | I1521-H1525 WeakPolarHBondContact CA-O 2.99Å; V1522-H1525 PolarHBondContact N-O 3.44Å; V1522-H1525 WeakPolarHBondContact O-CA 3.32Å; V1522-H1525 WeakPolarHBondContact O-CB 3.33Å; V1522-H1525 PolarHBondContact O-N 3.3Å; V1523-H1525 VanDerWaalsContact C-N 3.3Å; V1523-H1525 PolarHBondContact O-N 2.95Å; H1525-A1534 HydrophobicContact CB-CB 4.02Å |
| 1526 | D | 85 | Confident | 84.2 | Confident | 22 Ų | 22 | 55 Ų | 55 | 12% | 0.118 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.5 | 126.9 | 171.3 | -169 | -27.3 | 0 | 0 | 0 | 110.2 | Y1446 N1528 R1529 N1530 | Y1446-D1526 VanDerWaalsContact OH-CB 3.29Å; Y1446-D1526 WeakPolarHBondContact OH-CB 3.02Å; Y1446-D1526 VanDerWaalsContact OH-CG 3.22Å; Y1446-D1526 PolarHBondContact OH-OD2 3.04Å; D1526-N1528 VanDerWaalsContact C-N 3.32Å; D1526-N1528 PolarHBondContact O-N 2.84Å; D1526-N1528 PolarHBondContact OD1-N 2.97Å; D1526-R1529 HydrophobicContact CB-CB 4.35Å; D1526-R1529 PolarHBondContact O-N 2.81Å; D1526-N1530 PolarHBondContact O-N 2.87Å |
| 1527 | L | 83.1 | Confident | 84.3 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 8% | 0.079 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.8 | -37.1 | 179.2 | -98.6 | 127.1 | 0 | 0 | 0 | 113.3 | I1509 I1520 V1522 R1529 L1531 A1534 | I1509-L1527 WeakPolarHBondContact O-CD1 3.39Å; I1509-L1527 WeakPolarHBondContact O-CD2 3.21Å; I1520-L1527 HydrophobicContact CB-CB 4.4Å; I1520-L1527 HydrophobicContact CB-CD1 3.52Å; I1520-L1527 HydrophobicContact CG2-CD1 3.24Å; I1520-L1527 PolarHBondContact O-N 3.14Å; V1522-L1527 HydrophobicContact CG2-CD1 3.63Å; L1527-R1529 VanDerWaalsContact C-N 3.33Å; L1527-R1529 PolarHBondContact O-N 3.1Å; L1527-L1531 HydrophobicContact CD2-CD1 3.54Å; L1527-L1531 PolarHBondContact O-N 2.93Å; L1527-A1534 HydrophobicContact CG-CB 4.49Å |
| 1528 | N | 78.6 | Confident | 84.4 | Confident | 99 Ų | 99 | 50 Ų | 50 | 53% | 0.529 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -71.9 | -30.7 | -177.6 | -77.2 | -9.2 | 0 | 0 | 0 | 111.9 | D1526 | D1526-N1528 VanDerWaalsContact C-N 3.32Å; D1526-N1528 PolarHBondContact O-N 2.84Å; D1526-N1528 PolarHBondContact OD1-N 2.97Å |
| 1529 | R | 77.9 | Confident | 84.6 | Confident | 211 Ų | 211 | 49.1 Ų | 49.1 | 80% | 0.796 | 23% | 0.23 | S | C | * | . | H | α-helix | trans | -91.2 | -42 | 179.2 | -67.8 | -176.2 | 174.2 | -171.5 | -0.6 | 112.8 | D1526 L1527 | D1526-R1529 HydrophobicContact CB-CB 4.35Å; D1526-R1529 PolarHBondContact O-N 2.81Å; L1527-R1529 VanDerWaalsContact C-N 3.33Å; L1527-R1529 PolarHBondContact O-N 3.1Å |
| 1530 | N | 81.5 | Confident | 84.8 | Confident | 74 Ų | 74 | 45 Ų | 45 | 40% | 0.396 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -134.3 | 50.7 | -167.1 | -75.1 | -44.6 | 0 | 0 | 0 | 113.2 | D1526 R1532 K1533 A1534 | D1526-N1530 PolarHBondContact O-N 2.87Å; N1530-R1532 VanDerWaalsContact C-N 3.35Å; N1530-R1532 PolarHBondContact O-N 3.04Å; N1530-K1533 PolarHBondContact O-N 2.96Å; N1530-A1534 PolarHBondContact O-N 3.44Å; N1530-A1534 VanDerWaalsContact O-N 3.16Å |
| 1531 | L | 80.8 | Confident | 84.8 | Confident | 50 Ų | 50 | 44.9 Ų | 44.9 | 26% | 0.262 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -46.1 | -49.6 | -178.4 | 178.9 | 64.7 | 0 | 0 | 0 | 114.5 | L1527 A1534 Q1535 | L1527-L1531 HydrophobicContact CD2-CD1 3.54Å; L1527-L1531 PolarHBondContact O-N 2.93Å; L1531-A1534 PolarHBondContact O-N 3.15Å; L1531-Q1535 HydrophobicContact CD1-CG 4.25Å; L1531-Q1535 WeakPolarHBondContact O-CB 3.08Å; L1531-Q1535 WeakPolarHBondContact O-CG 3.3Å; L1531-Q1535 PolarHBondContact O-N 3.44Å |
| 1532 | R | 78 | Confident | 84.7 | Confident | 118 Ų | 118 | 45.5 Ų | 45.5 | 45% | 0.445 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.2 | -35.8 | -173.6 | -72.9 | -170.2 | -175.1 | 158 | 7.3 | 113.7 | L1183 N1530 Q1536 | L1183-R1532 VanDerWaalsContact CB-NH2 3.26Å; N1530-R1532 VanDerWaalsContact C-N 3.35Å; N1530-R1532 PolarHBondContact O-N 3.04Å; R1532-Q1536 WeakPolarHBondContact O-CG 3.24Å; R1532-Q1536 PolarHBondContact O-N 2.82Å |
| 1533 | K | 80 | Confident | 84.3 | Confident | 123 Ų | 123 | 48.5 Ų | 48.5 | 54% | 0.535 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.2 | -43 | 176.7 | -73.9 | -172.5 | 177.6 | -178.1 | 0 | 110.1 | N1530 Q1535 Q1536 S1537 | N1530-K1533 PolarHBondContact O-N 2.96Å; K1533-Q1535 VanDerWaalsContact C-N 3.33Å; K1533-Q1535 PolarHBondContact O-N 2.92Å; K1533-Q1536 PolarHBondContact O-N 3.2Å; K1533-S1537 PolarHBondContact O-N 3.45Å; K1533-S1537 PolarHBondContact O-OG 2.94Å |
| 1534 | A | 84.1 | Confident | 83.7 | Confident | 2 Ų | 2 | 52 Ų | 52 | 2% | 0.017 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -57 | -46.7 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1522 H1525 L1527 N1530 L1531 S1537 | V1522-A1534 HydrophobicContact CB-CB 4.12Å; V1522-A1534 HydrophobicContact CG1-CB 4.39Å; H1525-A1534 HydrophobicContact CB-CB 4.02Å; L1527-A1534 HydrophobicContact CG-CB 4.49Å; N1530-A1534 PolarHBondContact O-N 3.44Å; N1530-A1534 VanDerWaalsContact O-N 3.16Å; L1531-A1534 PolarHBondContact O-N 3.15Å; A1534-S1537 PolarHBondContact O-N 2.88Å; A1534-S1537 PolarHBondContact O-OG 2.92Å |
| 1535 | Q | 85.1 | Confident | 83.6 | Confident | 13 Ų | 13 | 54.1 Ų | 54.1 | 6% | 0.061 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.5 | -44.7 | 177 | -81.4 | 177.9 | -18.6 | 0 | 0 | 113 | V1178 T1510 L1531 K1533 S1537 L1538 | V1178-Q1535 HydrophobicContact CG2-CG 4.44Å; V1178-Q1535 CarbonylContact O-C 3.55Å; T1510-Q1535 PolarHBondContact O-NE2 3.47Å; L1531-Q1535 HydrophobicContact CD1-CG 4.25Å; L1531-Q1535 WeakPolarHBondContact O-CB 3.08Å; L1531-Q1535 WeakPolarHBondContact O-CG 3.3Å; L1531-Q1535 PolarHBondContact O-N 3.44Å; K1533-Q1535 VanDerWaalsContact C-N 3.33Å; K1533-Q1535 PolarHBondContact O-N 2.92Å; Q1535-S1537 PolarHBondContact O-N 3.02Å; Q1535-S1537 VanDerWaalsContact O-N 3.13Å; Q1535-L1538 WeakPolarHBondContact O-CB 3.35Å; Q1535-L1538 PolarHBondContact O-N 3.49Å |
| 1536 | Q | 80.8 | Confident | 83.3 | Confident | 72 Ų | 72 | 52 Ų | 52 | 34% | 0.336 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -59 | -26.5 | 179.2 | -81.6 | 176.3 | -10.1 | 0 | 0 | 114.4 | G1180 R1532 K1533 | G1180-Q1536 VanDerWaalsContact CA-CG 3.41Å; G1180-Q1536 PolarHBondContact O-NE2 3.42Å; R1532-Q1536 WeakPolarHBondContact O-CG 3.24Å; R1532-Q1536 PolarHBondContact O-N 2.82Å; K1533-Q1536 PolarHBondContact O-N 3.2Å |
| 1537 | S | 85.8 | Confident | 83.5 | Confident | 19 Ų | 19 | 51.4 Ų | 51.4 | 13% | 0.133 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 0.6 | 176.4 | 34.5 | 0 | 0 | 0 | 0 | 114.1 | K1533 A1534 Q1535 P1614 | K1533-S1537 PolarHBondContact O-N 3.45Å; K1533-S1537 PolarHBondContact O-OG 2.94Å; A1534-S1537 PolarHBondContact O-N 2.88Å; A1534-S1537 PolarHBondContact O-OG 2.92Å; Q1535-S1537 PolarHBondContact O-N 3.02Å; Q1535-S1537 VanDerWaalsContact O-N 3.13Å; S1537-P1614 VanDerWaalsContact O-CD 3.29Å; S1537-P1614 WeakPolarHBondContact O-CD 3.3Å; S1537-P1614 WeakPolarHBondContact O-CG 3.42Å |
| 1538 | L | 89.3 | Confident | 83.6 | Confident | 2 Ų | 2 | 51.3 Ų | 51.3 | 1% | 0.01 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 125 | -174.2 | -176 | 76.5 | 0 | 0 | 0 | 111.6 | V1178 T1510 Q1535 L1615 C1617 | V1178-L1538 HydrophobicContact CG1-CD2 4.3Å; T1510-L1538 HydrophobicContact CG2-CD2 3.75Å; Q1535-L1538 WeakPolarHBondContact O-CB 3.35Å; Q1535-L1538 PolarHBondContact O-N 3.49Å; L1538-L1615 WeakPolarHBondContact CA-O 3.3Å; L1538-L1615 HydrophobicContact CD1-CB 4.24Å; L1538-L1615 HydrophobicContact CD1-CD2 3.61Å; L1538-L1615 HydrophobicContact CD1-CG 3.74Å; L1538-C1617 HydrophobicContact CD1-CB 4.31Å |
| 1539 | G | 90.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 48.3 Ų | 48.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.8 | 133.3 | 161.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | A1608 T1613 L1615 I1616 C1617 | G1539-A1608 WeakPolarHBondContact CA-O 3.29Å; G1539-T1613 PolarHBondContact N-OG1 3.19Å; G1539-L1615 PolarHBondContact N-O 3.46Å; G1539-I1616 CarbonylContact O-C 3.54Å; G1539-I1616 WeakPolarHBondContact O-CA 3.35Å; G1539-C1617 PolarHBondContact O-N 2.86Å |
| 1540 | Y | 92 | Very high | 84.1 | Confident | 11 Ų | 11 | 42 Ų | 42 | 4% | 0.043 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.6 | 125.8 | -178.6 | 179.8 | -130.7 | 0 | 0 | 0 | 112.6 | F1506 T1510 P1542 C1617 | F1506-Y1540 HydrophobicContact CD1-CE2 4.12Å; T1510-Y1540 HydrophobicContact CG2-CD1 3.75Å; T1510-Y1540 HydrophobicContact CG2-CD2 3.52Å; T1510-Y1540 HydrophobicContact CG2-CE1 3.91Å; T1510-Y1540 HydrophobicContact CG2-CE2 3.73Å; T1510-Y1540 HydrophobicContact CG2-CG 3.54Å; Y1540-P1542 HydrophobicContact CD1-CB 4.4Å; Y1540-P1542 HydrophobicContact CE1-CB 3.62Å; Y1540-P1542 HydrophobicContact CE1-CG 4.17Å; Y1540-C1617 CarbonylContact C-O 3.49Å; Y1540-C1617 WeakPolarHBondContact CA-O 3.3Å; Y1540-C1617 HydrophobicContact CD2-CB 4.05Å |
| 1541 | C | 91 | Very high | 84.5 | Confident | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 103.4 | 166.6 | -176.8 | 0 | 0 | 0 | 0 | 109 | A1608 C1617 L1618 D1619 | C1541-A1608 HydrophobicContact CB-CB 4.05Å; C1541-C1617 PolarHBondContact N-O 2.99Å; C1541-L1618 HydrophobicContact CB-CD2 3.46Å; C1541-L1618 VanDerWaalsContact CB-CD2 3.46Å; C1541-D1619 WeakPolarHBondContact O-CB 3.34Å; C1541-D1619 PolarHBondContact O-N 2.96Å |
| 1542 | P | 87.5 | Confident | 85 | Confident | 14 Ų | 14 | 36.8 Ų | 36.8 | 9% | 0.091 | 17% | 0.171 | C | C | . | . | trans | -69.7 | 160.8 | 177.9 | 23.8 | -30.1 | 0 | 0 | 0 | 113.2 | Y1540 F1544 A1546 R1601 | Y1540-P1542 HydrophobicContact CD1-CB 4.4Å; Y1540-P1542 HydrophobicContact CE1-CB 3.62Å; Y1540-P1542 HydrophobicContact CE1-CG 4.17Å; P1542-F1544 VanDerWaalsContact C-N 3.26Å; P1542-F1544 WeakPolarHBondContact CG-O 3.38Å; P1542-F1544 PolarHBondContact O-N 2.86Å; P1542-A1546 HydrophobicContact CG-CB 4.07Å; P1542-R1601 PolarHBondContact O-NH1 3.49Å | ||
| 1543 | Q | 82 | Confident | 85.6 | Confident | 64 Ų | 64 | 31.1 Ų | 31.1 | 30% | 0.299 | 15% | 0.149 | S | C | . | . | S | Bend | trans | -54.8 | -38.5 | 174.1 | -169.7 | -178.4 | 22.2 | 0 | 0 | 113.6 | R1601 | Q1543-R1601 PolarHBondContact O-NH1 3.35Š|
| 1544 | F | 75.1 | Confident | 86.2 | Confident | 125 Ų | 125 | 26.6 Ų | 26.6 | 55% | 0.548 | 13% | 0.13 | S | C | . | . | S | Bend | trans | -100.6 | 136.3 | 177.7 | -34 | -82.4 | 0 | 0 | 0 | 109.3 | P1542 A1546 | P1542-F1544 VanDerWaalsContact C-N 3.26Å; P1542-F1544 WeakPolarHBondContact CG-O 3.38Å; P1542-F1544 PolarHBondContact O-N 2.86Å; F1544-A1546 PolarHBondContact O-N 3.42Å |
| 1545 | D | 80.6 | Confident | 86.7 | Confident | 52 Ų | 52 | 28.3 Ų | 28.3 | 28% | 0.278 | 14% | 0.138 | S | C | . | . | trans | -66.7 | 96.8 | 178.5 | -62.9 | -44.4 | 0 | 0 | 0 | 111.3 | L1547 R1600 R1601 S1604 | D1545-L1547 HydrophobicContact CB-CD1 3.9Å; D1545-L1547 HydrophobicContact CB-CG 4.08Å; D1545-L1547 PolarHBondContact O-N 3.26Å; D1545-R1600 HydrophobicContact CB-CB 4.28Å; D1545-R1600 WeakPolarHBondContact OD2-CB 3.08Å; D1545-R1601 WeakPolarHBondContact OD1-CD 3.26Å; D1545-R1601 IonicContact OD1-NH1 2.98Å; D1545-S1604 WeakPolarHBondContact OD1-CB 3.35Å; D1545-S1604 PolarHBondContact OD1-OG 2.85Å | ||
| 1546 | A | 81.8 | Confident | 87.1 | Confident | 6 Ų | 6 | 27.8 Ų | 27.8 | 5% | 0.05 | 14% | 0.135 | C | C | . | . | trans | -77.4 | 48.5 | -178.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | T1170 K1171 L1175 P1542 F1544 | T1170-A1546 VanDerWaalsContact O-CA 3.24Å; T1170-A1546 WeakPolarHBondContact O-CA 3.29Å; T1170-A1546 WeakPolarHBondContact O-CB 2.97Å; K1171-A1546 HydrophobicContact CB-CB 4.1Å; L1175-A1546 HydrophobicContact CD2-CB 4.24Å; P1542-A1546 HydrophobicContact CG-CB 4.07Å; F1544-A1546 PolarHBondContact O-N 3.42Å | ||
| 1547 | L | 87.6 | Confident | 87.7 | Confident | 10 Ų | 10 | 24.3 Ų | 24.3 | 5% | 0.052 | 12% | 0.119 | C | C | . | . | trans | -94.6 | 154.1 | -173.5 | -59.2 | 170.9 | 0 | 0 | 0 | 111.6 | D1545 P1549 T1556 V1592 R1600 L1603 I1607 | D1545-L1547 HydrophobicContact CB-CD1 3.9Å; D1545-L1547 HydrophobicContact CB-CG 4.08Å; D1545-L1547 PolarHBondContact O-N 3.26Å; L1547-P1549 VanDerWaalsContact O-CD 3.24Å; L1547-P1549 WeakPolarHBondContact O-CD 3.2Å; L1547-T1556 HydrophobicContact CD2-CG2 4.38Å; L1547-V1592 HydrophobicContact CB-CG1 3.94Å; L1547-V1592 HydrophobicContact CD1-CG1 3.82Å; L1547-V1592 HydrophobicContact CG-CG1 4.49Å; L1547-R1600 HydrophobicContact CD1-CB 3.76Å; L1547-R1600 HydrophobicContact CD1-CG 4.02Å; L1547-L1603 HydrophobicContact CD1-CB 4.44Å; L1547-L1603 HydrophobicContact CD1-CD2 4.18Å; L1547-L1603 HydrophobicContact CD2-CD2 4.03Å; L1547-L1603 HydrophobicContact CD2-CG 4.12Å; L1547-I1607 HydrophobicContact CD2-CD1 3.35Å | ||
| 1548 | L | 86.2 | Confident | 88 | Confident | 12 Ų | 12 | 25.1 Ų | 25.1 | 6% | 0.063 | 12% | 0.121 | C | C | . | . | trans | -94.1 | 102.3 | 173.2 | -70.8 | 168.4 | 0 | 0 | 0 | 108.7 | K925 Y1166 E1167 A1172 Y1550 L1551 L1559 | K925-L1548 HydrophobicContact CD-CD1 3.88Å; K925-L1548 HydrophobicContact CG-CD1 4.25Å; Y1166-L1548 HydrophobicContact CD1-CD2 4.47Å; Y1166-L1548 HydrophobicContact CE1-CD2 3.98Å; E1167-L1548 HydrophobicContact CG-CD2 4.36Å; A1172-L1548 HydrophobicContact CB-CD2 3.94Å; A1172-L1548 HydrophobicContact CB-CG 4.06Å; L1548-Y1550 PolarHBondContact O-N 3.42Å; L1548-Y1550 VanDerWaalsContact O-N 3.08Å; L1548-L1551 HydrophobicContact CB-CD1 3.8Å; L1548-L1551 HydrophobicContact CB-CG 4.39Å; L1548-L1551 HydrophobicContact CD1-CD1 3.62Å; L1548-L1551 HydrophobicContact CG-CD1 4.36Å; L1548-L1551 PolarHBondContact O-N 3.22Å; L1548-L1559 HydrophobicContact CD1-CD2 4.22Å | ||
| 1549 | P | 80.8 | Confident | 88.2 | Confident | 36 Ų | 36 | 25.4 Ų | 25.4 | 23% | 0.234 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.1 | -169.5 | 25.9 | -37.6 | 0 | 0 | 0 | 114.7 | Y1166 L1547 L1551 S1593 | Y1166-P1549 WeakPolarHBondContact OH-CD 3.45Å; Y1166-P1549 WeakPolarHBondContact OH-CG 3.27Å; L1547-P1549 VanDerWaalsContact O-CD 3.24Å; L1547-P1549 WeakPolarHBondContact O-CD 3.2Å; P1549-L1551 VanDerWaalsContact C-N 3.35Å; P1549-S1593 WeakPolarHBondContact O-CB 3.28Å; P1549-S1593 PolarHBondContact O-N 2.99Å |
| 1550 | Y | 85.4 | Confident | 88.3 | Confident | 80 Ų | 80 | 25.6 Ų | 25.6 | 31% | 0.314 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -3.6 | 175.5 | -60.6 | -76.7 | 0 | 0 | 0 | 113.9 | F929 R932 N933 Y1166 L1548 L1591 | F929-Y1550 AromaticContact CD2-CD2 3.77Å; F929-Y1550 HydrophobicContact CD2-CD2 3.77Å; F929-Y1550 HydrophobicContact CD2-CE2 4.45Å; F929-Y1550 HydrophobicContact CD2-CG 4.16Å; F929-Y1550 AromaticContact CE2-CD2 3.45Å; F929-Y1550 HydrophobicContact CE2-CD2 3.45Å; F929-Y1550 VanDerWaalsContact CE2-CD2 3.45Å; F929-Y1550 AromaticContact CE2-CE2 3.7Å; F929-Y1550 HydrophobicContact CE2-CE2 3.7Å; F929-Y1550 HydrophobicContact CE2-CG 4.18Å; R932-Y1550 WeakPolarHBondContact CD-O 3.44Å; R932-Y1550 PolarHBondContact NH1-O 3.01Å; N933-Y1550 VanDerWaalsContact ND2-CE1 3.35Å; N933-Y1550 WeakPolarHBondContact ND2-CE1 3.39Å; N933-Y1550 WeakPolarHBondContact OD1-CE1 3.45Å; Y1166-Y1550 HydrophobicContact CE1-CD2 4.37Å; Y1166-Y1550 HydrophobicContact CE1-CE2 4.46Å; Y1166-Y1550 HydrophobicContact CE2-CE2 4.38Å; Y1166-Y1550 AromaticContact CZ-CE2 3.84Å; Y1166-Y1550 WeakPolarHBondContact OH-CD2 3.33Å; Y1166-Y1550 VanDerWaalsContact OH-CE2 3.24Å; Y1166-Y1550 WeakPolarHBondContact OH-CE2 3.34Å; L1548-Y1550 PolarHBondContact O-N 3.42Å; L1548-Y1550 VanDerWaalsContact O-N 3.08Å; Y1550-L1591 VanDerWaalsContact O-CD2 3.29Å; Y1550-L1591 WeakPolarHBondContact O-CD2 3.39Å |
| 1551 | L | 89.4 | Confident | 88.2 | Confident | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.037 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -93.6 | 157.4 | 171 | -75.3 | 163.5 | 0 | 0 | 0 | 110.1 | K925 I928 L1548 P1549 E1555 T1556 L1559 V1592 | K925-L1551 HydrophobicContact CG-CD1 4.38Å; I928-L1551 HydrophobicContact CB-CD2 4.16Å; I928-L1551 HydrophobicContact CD1-CD2 3.92Å; I928-L1551 HydrophobicContact CG2-CD2 3.77Å; L1548-L1551 HydrophobicContact CB-CD1 3.8Å; L1548-L1551 HydrophobicContact CB-CG 4.39Å; L1548-L1551 HydrophobicContact CD1-CD1 3.62Å; L1548-L1551 HydrophobicContact CG-CD1 4.36Å; L1548-L1551 PolarHBondContact O-N 3.22Å; P1549-L1551 VanDerWaalsContact C-N 3.35Å; L1551-E1555 HydrophobicContact CD2-CB 3.78Å; L1551-T1556 WeakPolarHBondContact CB-OG1 3.4Å; L1551-L1559 HydrophobicContact CD1-CD2 4.2Å; L1551-V1592 WeakPolarHBondContact O-CB 3.43Å; L1551-V1592 WeakPolarHBondContact O-CG2 3.38Å; L1551-V1592 PolarHBondContact O-N 3.03Å |
| 1552 | T | 91.6 | Very high | 88.2 | Confident | 6 Ų | 6 | 26.3 Ų | 26.3 | 4% | 0.037 | 13% | 0.126 | C | C | . | . | B | Isolated β-bridge | trans | -85 | 164.9 | 168.3 | 60.3 | 0 | 0 | 0 | 0 | 110.2 | H1554 E1555 T1556 A1588 H1589 V1590 | T1552-H1554 VanDerWaalsContact C-N 3.32Å; T1552-H1554 PolarHBondContact O-N 2.9Å; T1552-E1555 WeakPolarHBondContact CB-OE2 3.39Å; T1552-E1555 WeakPolarHBondContact CG2-OE2 3.46Å; T1552-E1555 PolarHBondContact N-OE2 2.88Å; T1552-E1555 PolarHBondContact O-N 2.87Å; T1552-E1555 WeakPolarHBondContact OG1-CB 3.28Å; T1552-E1555 WeakPolarHBondContact OG1-CG 3.3Å; T1552-E1555 PolarHBondContact OG1-N 2.87Å; T1552-E1555 PolarHBondContact OG1-OE2 3.44Å; T1552-T1556 WeakPolarHBondContact O-CB 3.39Å; T1552-T1556 PolarHBondContact O-N 3.46Å; T1552-T1556 PolarHBondContact O-OG1 3Å; T1552-A1588 WeakPolarHBondContact CB-O 3.27Å; T1552-H1589 VanDerWaalsContact CG2-O 3.22Å; T1552-H1589 WeakPolarHBondContact CG2-O 3.23Å; T1552-V1590 WeakPolarHBondContact CA-O 3.49Å |
| 1553 | G | 90.3 | Very high | 88.4 | Confident | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -56.1 | -46.9 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1556 L1557 A1588 Y1595 | G1553-T1556 PolarHBondContact O-N 3.39Å; G1553-L1557 PolarHBondContact O-N 3.36Å; G1553-L1557 VanDerWaalsContact O-N 3.1Å; G1553-A1588 PolarHBondContact N-O 3.32Å; G1553-Y1595 WeakPolarHBondContact CA-OH 3.44Å; G1553-Y1595 PolarHBondContact N-OH 2.87Å |
| 1554 | H | 93.5 | Very high | 88.7 | Confident | 28 Ų | 28 | 23 Ų | 23 | 13% | 0.13 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61.2 | -49 | 177.7 | -177.7 | -80 | 0 | 0 | 0 | 112.2 | T1552 T1556 L1557 Q1558 L1579 A1588 | T1552-H1554 VanDerWaalsContact C-N 3.32Å; T1552-H1554 PolarHBondContact O-N 2.9Å; H1554-T1556 VanDerWaalsContact C-N 3.27Å; H1554-T1556 PolarHBondContact O-N 3.38Å; H1554-L1557 PolarHBondContact O-N 3.47Å; H1554-Q1558 WeakPolarHBondContact O-CB 3.1Å; H1554-Q1558 PolarHBondContact O-N 2.88Å; H1554-L1579 HydrophobicContact CB-CD1 4.32Å; H1554-A1588 HydrophobicContact CB-CB 4.38Å; H1554-A1588 WeakPolarHBondContact CB-O 3.1Å; H1554-A1588 PolarHBondContact N-O 3.17Å |
| 1555 | E | 93.7 | Very high | 89.2 | Confident | 37 Ų | 37 | 17.1 Ų | 17.1 | 17% | 0.173 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -65.1 | -31.7 | 179.4 | -67.7 | 159.8 | 160.9 | 0 | 0 | 112.5 | I928 R932 L1551 T1552 L1559 | I928-E1555 HydrophobicContact CD1-CB 4.49Å; I928-E1555 HydrophobicContact CD1-CG 4.19Å; R932-E1555 IonicContact CZ-OE1 3.73Å; R932-E1555 IonicContact CZ-OE2 3.01Å; R932-E1555 VanDerWaalsContact CZ-OE2 3.29Å; R932-E1555 IonicContact NH1-OE1 2.68Å; R932-E1555 IonicContact NH1-OE2 3.27Å; R932-E1555 PolarHBondContact NH1-OE2 3.42Å; R932-E1555 VanDerWaalsContact NH2-CD 3.3Å; R932-E1555 IonicContact NH2-OE1 2.92Å; R932-E1555 PolarHBondContact NH2-OE1 3.23Å; R932-E1555 IonicContact NH2-OE2 3.92Å; R932-E1555 PolarHBondContact NH2-OE2 3.23Å; L1551-E1555 HydrophobicContact CD2-CB 3.78Å; T1552-E1555 WeakPolarHBondContact CB-OE2 3.39Å; T1552-E1555 WeakPolarHBondContact CG2-OE2 3.46Å; T1552-E1555 PolarHBondContact N-OE2 2.88Å; T1552-E1555 PolarHBondContact O-N 2.87Å; T1552-E1555 WeakPolarHBondContact OG1-CB 3.28Å; T1552-E1555 WeakPolarHBondContact OG1-CG 3.3Å; T1552-E1555 PolarHBondContact OG1-N 2.87Å; T1552-E1555 PolarHBondContact OG1-OE2 3.44Å; E1555-L1559 WeakPolarHBondContact O-CB 3.32Å; E1555-L1559 PolarHBondContact O-N 3.39Å |
| 1556 | T | 93.8 | Very high | 89.5 | Confident | 2 Ų | 2 | 15 Ų | 15 | 1% | 0.012 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -66.4 | -46.8 | 176.7 | -56.3 | 0 | 0 | 0 | 0 | 110.4 | L1547 L1551 T1552 G1553 H1554 L1559 F1560 L1603 I1607 | L1547-T1556 HydrophobicContact CD2-CG2 4.38Å; L1551-T1556 WeakPolarHBondContact CB-OG1 3.4Å; T1552-T1556 WeakPolarHBondContact O-CB 3.39Å; T1552-T1556 PolarHBondContact O-N 3.46Å; T1552-T1556 PolarHBondContact O-OG1 3Å; G1553-T1556 PolarHBondContact O-N 3.39Å; H1554-T1556 VanDerWaalsContact C-N 3.27Å; H1554-T1556 PolarHBondContact O-N 3.38Å; T1556-L1559 WeakPolarHBondContact O-CB 3.33Å; T1556-L1559 PolarHBondContact O-N 2.9Å; T1556-F1560 HydrophobicContact CG2-CD2 4Å; T1556-F1560 HydrophobicContact CG2-CE2 3.92Å; T1556-F1560 VanDerWaalsContact O-CD2 3.24Å; T1556-F1560 WeakPolarHBondContact O-CD2 3.25Å; T1556-F1560 PolarHBondContact O-N 3.33Å; T1556-F1560 VanDerWaalsContact O-N 3.12Å; T1556-L1603 HydrophobicContact CG2-CD2 4.32Å; T1556-I1607 HydrophobicContact CG2-CD1 3.76Å; T1556-I1607 HydrophobicContact CG2-CG1 4.35Å |
| 1557 | L | 93.4 | Very high | 89.8 | Confident | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -64.3 | -41.9 | 175.8 | -67.7 | 173.2 | 0 | 0 | 0 | 111.6 | G1553 H1554 L1559 F1560 A1561 I1575 L1579 L1603 A1606 I1607 V1610 | G1553-L1557 PolarHBondContact O-N 3.36Å; G1553-L1557 VanDerWaalsContact O-N 3.1Å; H1554-L1557 PolarHBondContact O-N 3.47Å; L1557-L1559 VanDerWaalsContact C-N 3.3Å; L1557-L1559 PolarHBondContact O-N 3.26Å; L1557-F1560 PolarHBondContact O-N 3.4Å; L1557-A1561 VanDerWaalsContact O-CB 3.25Å; L1557-A1561 WeakPolarHBondContact O-CB 3.49Å; L1557-A1561 PolarHBondContact O-N 3.19Å; L1557-I1575 HydrophobicContact CB-CD1 4.47Å; L1557-I1575 HydrophobicContact CB-CG1 4.03Å; L1557-I1575 HydrophobicContact CB-CG2 3.93Å; L1557-I1575 HydrophobicContact CD1-CG2 4.06Å; L1557-L1579 HydrophobicContact CD1-CD1 4.48Å; L1557-L1579 HydrophobicContact CD1-CD2 3.72Å; L1557-L1579 HydrophobicContact CD1-CG 3.76Å; L1557-L1603 HydrophobicContact CD1-CD1 4.29Å; L1557-L1603 HydrophobicContact CD2-CD1 4.18Å; L1557-L1603 HydrophobicContact CG-CD1 3.97Å; L1557-A1606 HydrophobicContact CD2-CB 3.64Å; L1557-I1607 HydrophobicContact CD2-CG1 4.31Å; L1557-V1610 HydrophobicContact CD2-CG2 3.83Å |
| 1558 | Q | 93 | Very high | 89.7 | Confident | 36 Ų | 36 | 22.1 Ų | 22.1 | 17% | 0.168 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.1 | -39.8 | 174.5 | 176.8 | 163.4 | 55.6 | 0 | 0 | 112.7 | H1554 R1562 L1571 I1575 | H1554-Q1558 WeakPolarHBondContact O-CB 3.1Å; H1554-Q1558 PolarHBondContact O-N 2.88Å; Q1558-R1562 VanDerWaalsContact NE2-NH2 3.13Å; Q1558-R1562 WeakPolarHBondContact O-CG 3.46Å; Q1558-R1562 PolarHBondContact O-N 2.69Å; Q1558-R1562 VanDerWaalsContact O-N 3.17Å; Q1558-L1571 HydrophobicContact CB-CD2 4.36Å; Q1558-L1571 HydrophobicContact CG-CD2 3.77Å; Q1558-I1575 VanDerWaalsContact CA-CD1 3.46Å; Q1558-I1575 HydrophobicContact CB-CD1 3.74Å; Q1558-I1575 HydrophobicContact CG-CD1 4.49Å |
| 1559 | L | 92.8 | Very high | 89.6 | Confident | 8 Ų | 8 | 24.5 Ų | 24.5 | 4% | 0.042 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.2 | -55.3 | 173.3 | 174 | 63.5 | 0 | 0 | 0 | 110.5 | A921 K925 L1548 L1551 E1555 T1556 L1557 A1561 R1562 L1563 | A921-L1559 HydrophobicContact CB-CD1 4.03Å; K925-L1559 HydrophobicContact CB-CD1 4.18Å; K925-L1559 HydrophobicContact CB-CD2 4.42Å; K925-L1559 HydrophobicContact CD-CD2 3.9Å; K925-L1559 HydrophobicContact CG-CD2 4.19Å; L1548-L1559 HydrophobicContact CD1-CD2 4.22Å; L1551-L1559 HydrophobicContact CD1-CD2 4.2Å; E1555-L1559 WeakPolarHBondContact O-CB 3.32Å; E1555-L1559 PolarHBondContact O-N 3.39Å; T1556-L1559 WeakPolarHBondContact O-CB 3.33Å; T1556-L1559 PolarHBondContact O-N 2.9Å; L1557-L1559 VanDerWaalsContact C-N 3.3Å; L1557-L1559 PolarHBondContact O-N 3.26Å; L1559-A1561 PolarHBondContact O-N 2.94Å; L1559-R1562 PolarHBondContact O-N 3.47Å; L1559-L1563 HydrophobicContact CD1-CD1 4.3Å; L1559-L1563 HydrophobicContact CD1-CG 4.29Å; L1559-L1563 HydrophobicContact CG-CD1 4.3Å; L1559-L1563 VanDerWaalsContact O-CG 3.29Å; L1559-L1563 WeakPolarHBondContact O-CG 3.49Å; L1559-L1563 PolarHBondContact O-N 3.47Å |
| 1560 | F | 92 | Very high | 89.8 | Confident | 4 Ų | 4 | 26.7 Ų | 26.7 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -69 | -32.1 | -175.5 | -75.4 | -74.7 | 0 | 0 | 0 | 113.6 | L1175 Q1176 S1179 T1556 L1557 L1563 R1564 I1607 V1610 | L1175-F1560 HydrophobicContact CB-CE1 4.4Å; L1175-F1560 HydrophobicContact CB-CZ 4.43Å; L1175-F1560 HydrophobicContact CD2-CE1 4.05Å; L1175-F1560 HydrophobicContact CD2-CE2 4.37Å; L1175-F1560 HydrophobicContact CD2-CZ 3.65Å; L1175-F1560 HydrophobicContact CG-CE1 3.81Å; L1175-F1560 HydrophobicContact CG-CZ 3.91Å; Q1176-F1560 HydrophobicContact CG-CE1 4.37Å; S1179-F1560 WeakPolarHBondContact OG-CD1 3.37Å; T1556-F1560 HydrophobicContact CG2-CD2 4Å; T1556-F1560 HydrophobicContact CG2-CE2 3.92Å; T1556-F1560 VanDerWaalsContact O-CD2 3.24Å; T1556-F1560 WeakPolarHBondContact O-CD2 3.25Å; T1556-F1560 PolarHBondContact O-N 3.33Å; T1556-F1560 VanDerWaalsContact O-N 3.12Å; L1557-F1560 PolarHBondContact O-N 3.4Å; F1560-L1563 HydrophobicContact CD1-CD1 4.18Å; F1560-L1563 HydrophobicContact CE1-CD1 4.39Å; F1560-L1563 PolarHBondContact O-N 3.25Å; F1560-R1564 PolarHBondContact O-N 3.46Å; F1560-I1607 HydrophobicContact CB-CG2 4.18Å; F1560-I1607 HydrophobicContact CD1-CG2 3.81Å; F1560-I1607 HydrophobicContact CD2-CB 4.37Å; F1560-I1607 HydrophobicContact CD2-CD1 3.89Å; F1560-I1607 HydrophobicContact CD2-CG1 3.75Å; F1560-I1607 HydrophobicContact CD2-CG2 3.69Å; F1560-I1607 HydrophobicContact CE1-CG2 4.08Å; F1560-I1607 HydrophobicContact CE2-CD1 3.74Å; F1560-I1607 HydrophobicContact CE2-CG1 4.13Å; F1560-I1607 HydrophobicContact CE2-CG2 3.99Å; F1560-I1607 HydrophobicContact CG-CG1 4.38Å; F1560-I1607 HydrophobicContact CG-CG2 3.62Å; F1560-I1607 HydrophobicContact CZ-CG2 4.17Å; F1560-V1610 HydrophobicContact CB-CG1 4.48Å |
| 1561 | A | 91.2 | Very high | 89.9 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.3 | -45.8 | 174 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1557 L1559 L1563 R1564 G1565 V1566 L1571 V1610 | L1557-A1561 VanDerWaalsContact O-CB 3.25Å; L1557-A1561 WeakPolarHBondContact O-CB 3.49Å; L1557-A1561 PolarHBondContact O-N 3.19Å; L1559-A1561 PolarHBondContact O-N 2.94Å; A1561-L1563 VanDerWaalsContact C-N 3.33Å; A1561-L1563 PolarHBondContact O-N 2.96Å; A1561-R1564 PolarHBondContact O-N 2.98Å; A1561-G1565 PolarHBondContact O-N 3.06Å; A1561-G1565 VanDerWaalsContact O-N 3.1Å; A1561-V1566 HydrophobicContact CB-CB 4.31Å; A1561-V1566 HydrophobicContact CB-CG2 4.15Å; A1561-V1566 PolarHBondContact O-N 2.94Å; A1561-V1566 VanDerWaalsContact O-N 3.15Å; A1561-L1571 HydrophobicContact CB-CD1 3.81Å; A1561-L1571 HydrophobicContact CB-CG 4.25Å; A1561-V1610 VanDerWaalsContact CA-CG1 3.48Å; A1561-V1610 HydrophobicContact CB-CG1 3.93Å |
| 1562 | R | 91.4 | Very high | 89.9 | Confident | 25 Ų | 25 | 26.6 Ų | 26.6 | 9% | 0.094 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.9 | -38.2 | 172.6 | -72.9 | -174 | 176.2 | 125.3 | 8.1 | 112.4 | Q917 A921 Q1558 L1559 R1564 G1565 E1568 L1571 | Q917-R1562 HydrophobicContact CG-CB 4.11Å; Q917-R1562 HydrophobicContact CG-CG 4.19Å; A921-R1562 HydrophobicContact CB-CB 3.63Å; A921-R1562 HydrophobicContact CB-CG 4.35Å; Q1558-R1562 VanDerWaalsContact NE2-NH2 3.13Å; Q1558-R1562 WeakPolarHBondContact O-CG 3.46Å; Q1558-R1562 PolarHBondContact O-N 2.69Å; Q1558-R1562 VanDerWaalsContact O-N 3.17Å; L1559-R1562 PolarHBondContact O-N 3.47Å; R1562-R1564 VanDerWaalsContact C-N 3.31Å; R1562-R1564 PolarHBondContact O-N 3.35Å; R1562-G1565 PolarHBondContact O-N 3.19Å; R1562-E1568 IonicContact NE-OE1 3.28Å; R1562-E1568 PolarHBondContact NE-OE1 3.46Å; R1562-E1568 VanDerWaalsContact NE-OE1 3.14Å; R1562-L1571 HydrophobicContact CG-CD1 3.6Å |
| 1563 | L | 90.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.4 | -33.8 | 178.6 | -69.6 | -175 | 0 | 0 | 0 | 113.1 | F914 Q918 A921 L922 Q1176 V1181 L1559 F1560 A1561 | F914-L1563 VanDerWaalsContact CE2-O 3.27Å; F914-L1563 WeakPolarHBondContact CE2-O 3.38Å; F914-L1563 VanDerWaalsContact CZ-O 3.22Å; F914-L1563 WeakPolarHBondContact CZ-O 3.24Å; Q918-L1563 HydrophobicContact CB-CD2 4.47Å; Q918-L1563 HydrophobicContact CG-CD2 4.32Å; Q918-L1563 PolarHBondContact NE2-O 2.72Å; Q918-L1563 VanDerWaalsContact NE2-O 3.12Å; A921-L1563 HydrophobicContact CB-CD2 4.39Å; L922-L1563 HydrophobicContact CG-CD2 4.44Å; Q1176-L1563 HydrophobicContact CB-CD1 4.22Å; Q1176-L1563 HydrophobicContact CG-CD1 3.95Å; V1181-L1563 HydrophobicContact CG2-CB 4.43Å; V1181-L1563 HydrophobicContact CG2-CD1 3.8Å; V1181-L1563 HydrophobicContact CG2-CD2 3.36Å; V1181-L1563 HydrophobicContact CG2-CG 4.03Å; L1559-L1563 HydrophobicContact CD1-CD1 4.3Å; L1559-L1563 HydrophobicContact CD1-CG 4.29Å; L1559-L1563 HydrophobicContact CG-CD1 4.3Å; L1559-L1563 VanDerWaalsContact O-CG 3.29Å; L1559-L1563 WeakPolarHBondContact O-CG 3.49Å; L1559-L1563 PolarHBondContact O-N 3.47Å; F1560-L1563 HydrophobicContact CD1-CD1 4.18Å; F1560-L1563 HydrophobicContact CE1-CD1 4.39Å; F1560-L1563 PolarHBondContact O-N 3.25Å; A1561-L1563 VanDerWaalsContact C-N 3.33Å; A1561-L1563 PolarHBondContact O-N 2.96Å |
| 1564 | R | 88 | Confident | 89.7 | Confident | 9 Ų | 9 | 32 Ų | 32 | 3% | 0.034 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -84.3 | -10.4 | 176.5 | -73.8 | -165.3 | -174.7 | 179.2 | 7.8 | 114.3 | R908 F1560 A1561 R1562 I1607 A1608 V1610 T1613 | R908-R1564 PolarHBondContact NE-O 3.25Å; R908-R1564 PolarHBondContact NH2-O 3.21Å; F1560-R1564 PolarHBondContact O-N 3.46Å; A1561-R1564 PolarHBondContact O-N 2.98Å; R1562-R1564 VanDerWaalsContact C-N 3.31Å; R1562-R1564 PolarHBondContact O-N 3.35Å; R1564-I1607 PolarHBondContact NH2-O 3.22Å; R1564-I1607 VanDerWaalsContact NH2-O 3.07Å; R1564-A1608 PolarHBondContact NH1-O 2.95Å; R1564-A1608 PolarHBondContact NH2-O 3.39Å; R1564-V1610 WeakPolarHBondContact CD-O 3.43Å; R1564-V1610 PolarHBondContact NH1-O 3.11Å; R1564-T1613 PolarHBondContact NH1-OG1 3.4Å |
| 1565 | G | 86.7 | Confident | 89.6 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 90.5 | 25.9 | 171.2 | 0 | 0 | 0 | 0 | 0 | 114.6 | R908 N909 A1561 R1562 | R908-G1565 WeakPolarHBondContact CA-O 3.17Å; N909-G1565 PolarHBondContact N-O 3.34Å; A1561-G1565 PolarHBondContact O-N 3.06Å; A1561-G1565 VanDerWaalsContact O-N 3.1Å; R1562-G1565 PolarHBondContact O-N 3.19Å |
| 1566 | V | 87.8 | Confident | 89.5 | Confident | 8 Ų | 8 | 32.9 Ų | 32.9 | 5% | 0.048 | 18% | 0.183 | C | C | . | . | B | Isolated β-bridge | trans | -61.1 | 135.2 | 172 | 177.8 | 0 | 0 | 0 | 0 | 109.4 | Q917 A1561 L1571 E1574 | Q917-V1566 PolarHBondContact NE2-O 3.19Å; A1561-V1566 HydrophobicContact CB-CB 4.31Å; A1561-V1566 HydrophobicContact CB-CG2 4.15Å; A1561-V1566 PolarHBondContact O-N 2.94Å; A1561-V1566 VanDerWaalsContact O-N 3.15Å; V1566-L1571 HydrophobicContact CG1-CB 4.49Å; V1566-E1574 WeakPolarHBondContact CG1-OE2 3.49Å; V1566-E1574 WeakPolarHBondContact CG2-OE2 3.4Å |
| 1567 | H | 87.1 | Confident | 89.3 | Confident | 85 Ų | 85 | 38.7 Ų | 38.7 | 39% | 0.394 | 21% | 0.21 | S | C | . | . | trans | -61.6 | 136.7 | -179.3 | -165.8 | -92.2 | 0 | 0 | 0 | 111.8 | N909 G1569 L1570 L1571 | N909-H1567 PolarHBondContact OD1-CD2 3.15Å; H1567-G1569 PolarHBondContact ND1-N 2.91Å; H1567-G1569 PolarHBondContact O-N 3.43Å; H1567-G1569 VanDerWaalsContact O-N 3.1Å; H1567-L1570 PolarHBondContact O-N 3.24Å; H1567-L1571 PolarHBondContact O-N 3Å | ||
| 1568 | E | 84.8 | Confident | 89.1 | Confident | 81 Ų | 81 | 38.8 Ų | 38.8 | 38% | 0.379 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -33.4 | -172.4 | -125.2 | 85.7 | -146.3 | 0 | 0 | 113.4 | Q917 R1562 L1571 | Q917-E1568 PolarHBondContact NE2-OE1 2.91Å; Q917-E1568 PolarHBondContact NE2-OE2 3.36Å; R1562-E1568 IonicContact NE-OE1 3.28Å; R1562-E1568 PolarHBondContact NE-OE1 3.46Å; R1562-E1568 VanDerWaalsContact NE-OE1 3.14Å; E1568-L1571 WeakPolarHBondContact O-CB 3.36Å |
| 1569 | G | 84.1 | Confident | 89 | Confident | 62 Ų | 62 | 37.1 Ų | 37.1 | 64% | 0.639 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -27.6 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | H1567 | H1567-G1569 PolarHBondContact ND1-N 2.91Å; H1567-G1569 PolarHBondContact O-N 3.43Å; H1567-G1569 VanDerWaalsContact O-N 3.1Å |
| 1570 | L | 85.5 | Confident | 88.8 | Confident | 81 Ų | 81 | 39.7 Ų | 39.7 | 42% | 0.424 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -9.3 | 178.7 | -84.4 | 142 | 0 | 0 | 0 | 112.8 | L907 H1567 N1572 T1573 E1574 | L907-L1570 HydrophobicContact CD2-CD1 3.59Å; H1567-L1570 PolarHBondContact O-N 3.24Å; L1570-N1572 PolarHBondContact O-N 3.36Å; L1570-T1573 PolarHBondContact O-N 3.11Å; L1570-E1574 PolarHBondContact O-N 3.05Å |
| 1571 | L | 88.2 | Confident | 88.5 | Confident | 3 Ų | 3 | 41.7 Ų | 41.7 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -60.6 | -46.6 | -168.8 | -176 | 129.8 | 0 | 0 | 0 | 112.9 | Q1558 A1561 R1562 V1566 H1567 E1568 I1575 | Q1558-L1571 HydrophobicContact CB-CD2 4.36Å; Q1558-L1571 HydrophobicContact CG-CD2 3.77Å; A1561-L1571 HydrophobicContact CB-CD1 3.81Å; A1561-L1571 HydrophobicContact CB-CG 4.25Å; R1562-L1571 HydrophobicContact CG-CD1 3.6Å; V1566-L1571 HydrophobicContact CG1-CB 4.49Å; H1567-L1571 PolarHBondContact O-N 3Å; E1568-L1571 WeakPolarHBondContact O-CB 3.36Å; L1571-I1575 HydrophobicContact CD2-CD1 3.59Å; L1571-I1575 HydrophobicContact CG-CD1 3.87Å; L1571-I1575 WeakPolarHBondContact O-CB 3.45Å; L1571-I1575 VanDerWaalsContact O-CD1 3.23Å; L1571-I1575 WeakPolarHBondContact O-CD1 3.28Å; L1571-I1575 WeakPolarHBondContact O-CG1 3.47Å; L1571-I1575 PolarHBondContact O-N 2.96Å; L1571-I1575 VanDerWaalsContact O-N 3.16Å |
| 1572 | N | 89.2 | Confident | 88.2 | Confident | 83 Ų | 83 | 41.9 Ų | 41.9 | 44% | 0.444 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -68 | -39.4 | 179.2 | -67.1 | -16.4 | 0 | 0 | 0 | 111.2 | L1570 E1574 I1575 D1576 | L1570-N1572 PolarHBondContact O-N 3.36Å; N1572-E1574 PolarHBondContact O-N 3.16Å; N1572-I1575 PolarHBondContact O-N 3.18Å; N1572-D1576 WeakPolarHBondContact O-CB 3.32Å; N1572-D1576 VanDerWaalsContact O-CG 3.27Å; N1572-D1576 PolarHBondContact O-N 2.84Å |
| 1573 | T | 89.6 | Confident | 87.8 | Confident | 80 Ų | 80 | 44.9 Ų | 44.9 | 49% | 0.491 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -62.5 | -44 | 179.8 | -38.9 | 0 | 0 | 0 | 0 | 112.1 | L1570 Q1577 | L1570-T1573 PolarHBondContact O-N 3.11Å; T1573-Q1577 WeakPolarHBondContact O-CB 3.3Å; T1573-Q1577 PolarHBondContact O-N 3.03Å |
| 1574 | E | 88.6 | Confident | 87.6 | Confident | 40 Ų | 40 | 45 Ų | 45 | 19% | 0.187 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.5 | -39.1 | 177.2 | -167.3 | -176.2 | 159.2 | 0 | 0 | 111.5 | V1566 L1570 N1572 L1578 G1611 | V1566-E1574 WeakPolarHBondContact CG1-OE2 3.49Å; V1566-E1574 WeakPolarHBondContact CG2-OE2 3.4Å; L1570-E1574 PolarHBondContact O-N 3.05Å; N1572-E1574 PolarHBondContact O-N 3.16Å; E1574-L1578 HydrophobicContact CG-CD1 4.48Å; E1574-L1578 WeakPolarHBondContact O-CG 3.42Å; E1574-L1578 PolarHBondContact O-N 3.02Å; E1574-G1611 WeakPolarHBondContact OE1-CA 3.5Å; E1574-G1611 PolarHBondContact OE1-N 3.27Å |
| 1575 | I | 90.9 | Very high | 87.5 | Confident | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.3 | -45.9 | 178.1 | -68.2 | 165.7 | 0 | 0 | 0 | 111.1 | L1557 Q1558 L1571 N1572 Q1577 L1578 L1579 | L1557-I1575 HydrophobicContact CB-CD1 4.47Å; L1557-I1575 HydrophobicContact CB-CG1 4.03Å; L1557-I1575 HydrophobicContact CB-CG2 3.93Å; L1557-I1575 HydrophobicContact CD1-CG2 4.06Å; Q1558-I1575 VanDerWaalsContact CA-CD1 3.46Å; Q1558-I1575 HydrophobicContact CB-CD1 3.74Å; Q1558-I1575 HydrophobicContact CG-CD1 4.49Å; L1571-I1575 HydrophobicContact CD2-CD1 3.59Å; L1571-I1575 HydrophobicContact CG-CD1 3.87Å; L1571-I1575 WeakPolarHBondContact O-CB 3.45Å; L1571-I1575 VanDerWaalsContact O-CD1 3.23Å; L1571-I1575 WeakPolarHBondContact O-CD1 3.28Å; L1571-I1575 WeakPolarHBondContact O-CG1 3.47Å; L1571-I1575 PolarHBondContact O-N 2.96Å; L1571-I1575 VanDerWaalsContact O-N 3.16Å; N1572-I1575 PolarHBondContact O-N 3.18Å; I1575-Q1577 VanDerWaalsContact C-N 3.31Å; I1575-Q1577 PolarHBondContact O-N 3.1Å; I1575-L1578 PolarHBondContact O-N 3.25Å; I1575-L1579 HydrophobicContact CG2-CD1 3.76Å; I1575-L1579 HydrophobicContact CG2-CG 4.28Å; I1575-L1579 WeakPolarHBondContact O-CB 3.4Å; I1575-L1579 WeakPolarHBondContact O-CG 3.22Å; I1575-L1579 PolarHBondContact O-N 3.01Å |
| 1576 | D | 91.2 | Very high | 87.3 | Confident | 81 Ų | 81 | 53.4 Ų | 53.4 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65 | -38 | 179.6 | -71.2 | -27.3 | 0 | 0 | 0 | 110.9 | N1572 L1579 S1580 | N1572-D1576 WeakPolarHBondContact O-CB 3.32Å; N1572-D1576 VanDerWaalsContact O-CG 3.27Å; N1572-D1576 PolarHBondContact O-N 2.84Å; D1576-L1579 PolarHBondContact O-N 2.99Å; D1576-S1580 WeakPolarHBondContact O-CB 3.45Å; D1576-S1580 PolarHBondContact O-N 2.87Å |
| 1577 | Q | 89.7 | Confident | 87 | Confident | 124 Ų | 124 | 55.3 Ų | 55.3 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.9 | -46.6 | 170.2 | -88.8 | -175.7 | -17.5 | 0 | 0 | 112.3 | T1573 I1575 S1580 D1581 | T1573-Q1577 WeakPolarHBondContact O-CB 3.3Å; T1573-Q1577 PolarHBondContact O-N 3.03Å; I1575-Q1577 VanDerWaalsContact C-N 3.31Å; I1575-Q1577 PolarHBondContact O-N 3.1Å; Q1577-S1580 WeakPolarHBondContact O-CB 3.44Å; Q1577-S1580 PolarHBondContact O-N 3.19Å; Q1577-D1581 VanDerWaalsContact O-CB 3.31Å; Q1577-D1581 WeakPolarHBondContact O-CB 3.36Å; Q1577-D1581 PolarHBondContact O-N 3.13Å |
| 1578 | L | 89.2 | Confident | 87 | Confident | 2 Ų | 2 | 51.5 Ų | 51.5 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -66 | -38.1 | 178.6 | -78.9 | 167.4 | 0 | 0 | 0 | 112.8 | E1574 I1575 L1582 L1609 V1610 | E1574-L1578 HydrophobicContact CG-CD1 4.48Å; E1574-L1578 WeakPolarHBondContact O-CG 3.42Å; E1574-L1578 PolarHBondContact O-N 3.02Å; I1575-L1578 PolarHBondContact O-N 3.25Å; L1578-L1582 WeakPolarHBondContact O-CB 3.48Å; L1578-L1582 PolarHBondContact O-N 3.44Å; L1578-L1609 HydrophobicContact CD2-CB 4.22Å; L1578-V1610 HydrophobicContact CD1-CB 4.41Å; L1578-V1610 HydrophobicContact CD1-CG2 3.43Å; L1578-V1610 VanDerWaalsContact CD1-CG2 3.43Å |
| 1579 | L | 90.6 | Very high | 87.1 | Confident | 1 Ų | 1 | 54.7 Ų | 54.7 | 1% | 0.005 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -66.3 | -40.3 | 175.5 | -74.5 | 169.8 | 0 | 0 | 0 | 111.4 | H1554 L1557 I1575 D1576 N1583 L1584 A1588 | H1554-L1579 HydrophobicContact CB-CD1 4.32Å; L1557-L1579 HydrophobicContact CD1-CD1 4.48Å; L1557-L1579 HydrophobicContact CD1-CD2 3.72Å; L1557-L1579 HydrophobicContact CD1-CG 3.76Å; I1575-L1579 HydrophobicContact CG2-CD1 3.76Å; I1575-L1579 HydrophobicContact CG2-CG 4.28Å; I1575-L1579 WeakPolarHBondContact O-CB 3.4Å; I1575-L1579 WeakPolarHBondContact O-CG 3.22Å; I1575-L1579 PolarHBondContact O-N 3.01Å; D1576-L1579 PolarHBondContact O-N 2.99Å; L1579-N1583 PolarHBondContact O-N 3.21Å; L1579-L1584 HydrophobicContact CD2-CB 3.78Å; L1579-L1584 PolarHBondContact O-N 3.13Å; L1579-A1588 HydrophobicContact CD1-CB 3.81Å; L1579-A1588 HydrophobicContact CD2-CB 4.28Å |
| 1580 | S | 89.2 | Confident | 87.2 | Confident | 62 Ų | 62 | 54 Ų | 54 | 43% | 0.434 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.2 | -55.6 | 172 | 159.9 | 0 | 0 | 0 | 0 | 111.3 | D1576 Q1577 L1582 N1583 | D1576-S1580 WeakPolarHBondContact O-CB 3.45Å; D1576-S1580 PolarHBondContact O-N 2.87Å; Q1577-S1580 WeakPolarHBondContact O-CB 3.44Å; Q1577-S1580 PolarHBondContact O-N 3.19Å; S1580-L1582 PolarHBondContact O-N 3.15Å; S1580-L1582 VanDerWaalsContact O-N 3.1Å; S1580-N1583 PolarHBondContact O-N 3.05Å |
| 1581 | D | 85.1 | Confident | 87.2 | Confident | 47 Ų | 47 | 52.5 Ų | 52.5 | 25% | 0.251 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.8 | -25.9 | -174.8 | -78.5 | 4.2 | 0 | 0 | 0 | 112.3 | Q1577 L1636 K1639 | Q1577-D1581 VanDerWaalsContact O-CB 3.31Å; Q1577-D1581 WeakPolarHBondContact O-CB 3.36Å; Q1577-D1581 PolarHBondContact O-N 3.13Å; D1581-L1636 HydrophobicContact CB-CD1 3.59Å; D1581-K1639 IonicContact OD1-NZ 3.97Å; D1581-K1639 IonicContact OD2-NZ 2.95Å; D1581-K1639 PolarHBondContact OD2-NZ 3.23Å |
| 1582 | L | 84.6 | Confident | 87.1 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.021 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -101.5 | 6.3 | 177.2 | -72.5 | 165 | 0 | 0 | 0 | 114.8 | L1578 S1580 L1584 A1606 I1633 L1636 | L1578-L1582 WeakPolarHBondContact O-CB 3.48Å; L1578-L1582 PolarHBondContact O-N 3.44Å; S1580-L1582 PolarHBondContact O-N 3.15Å; S1580-L1582 VanDerWaalsContact O-N 3.1Å; L1582-L1584 VanDerWaalsContact C-N 3.3Å; L1582-L1584 HydrophobicContact CB-CD1 4.24Å; L1582-L1584 HydrophobicContact CB-CG 4.33Å; L1582-L1584 PolarHBondContact O-N 3.13Å; L1582-A1606 HydrophobicContact CD1-CB 3.36Å; L1582-I1633 HydrophobicContact CD2-CG1 3.87Å; L1582-L1636 HydrophobicContact CD2-CD1 3.86Å; L1582-L1636 HydrophobicContact CG-CD1 3.8Å |
| 1583 | N | 83.9 | Confident | 86.5 | Confident | 89 Ų | 89 | 51.8 Ų | 51.8 | 48% | 0.476 | 29% | 0.293 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | 45.4 | -175.8 | -76.8 | -30.7 | 0 | 0 | 0 | 113.2 | L1579 S1580 | L1579-N1583 PolarHBondContact O-N 3.21Å; S1580-N1583 PolarHBondContact O-N 3.05Å |
| 1584 | L | 86.4 | Confident | 85.9 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.005 | 30% | 0.297 | C | S | . | . | trans | -108.6 | 2.5 | 176.8 | -73.7 | 174.9 | 0 | 0 | 0 | 113.3 | L1579 L1582 S1586 L1587 A1588 Y1595 N1599 K1602 L1603 | L1579-L1584 HydrophobicContact CD2-CB 3.78Å; L1579-L1584 PolarHBondContact O-N 3.13Å; L1582-L1584 VanDerWaalsContact C-N 3.3Å; L1582-L1584 HydrophobicContact CB-CD1 4.24Å; L1582-L1584 HydrophobicContact CB-CG 4.33Å; L1582-L1584 PolarHBondContact O-N 3.13Å; L1584-S1586 VanDerWaalsContact C-N 3.33Å; L1584-S1586 PolarHBondContact O-N 2.97Å; L1584-L1587 CarbonylContact O-C 3.55Å; L1584-L1587 PolarHBondContact O-N 3.26Å; L1584-A1588 PolarHBondContact O-N 2.93Å; L1584-Y1595 HydrophobicContact CD2-CE2 4.38Å; L1584-N1599 HydrophobicContact CD2-CB 4.17Å; L1584-K1602 HydrophobicContact CD1-CB 3.86Å; L1584-K1602 HydrophobicContact CD2-CB 4.4Å; L1584-K1602 HydrophobicContact CD2-CD 4.11Å; L1584-K1602 HydrophobicContact CG-CB 4.31Å; L1584-K1602 HydrophobicContact CG-CD 4.31Å; L1584-L1603 HydrophobicContact CD1-CB 4.36Å | ||
| 1585 | T | 85.6 | Confident | 85.4 | Confident | 81 Ų | 81 | 53.8 Ų | 53.8 | 50% | 0.497 | 29% | 0.29 | S | S | . | . | G | 310 helix | trans | -57.1 | -40.8 | -174.7 | -17.5 | 0 | 0 | 0 | 0 | 113.1 | L1587 A1588 | T1585-L1587 VanDerWaalsContact C-N 3.29Å; T1585-L1587 PolarHBondContact O-N 3.46Å; T1585-A1588 VanDerWaalsContact O-CB 3.32Å; T1585-A1588 WeakPolarHBondContact O-CB 3.17Å; T1585-A1588 PolarHBondContact O-N 2.91Å |
| 1586 | S | 81 | Confident | 84.7 | Confident | 106 Ų | 106 | 56 Ų | 56 | 74% | 0.741 | 31% | 0.305 | S | S | * | . | G | 310 helix | trans | -68.5 | -26.6 | 178.3 | 59.7 | 0 | 0 | 0 | 0 | 113.6 | L1584 | L1584-S1586 VanDerWaalsContact C-N 3.33Å; L1584-S1586 PolarHBondContact O-N 2.97Å |
| 1587 | L | 83.2 | Confident | 84 | Confident | 48 Ų | 48 | 54.1 Ų | 54.1 | 25% | 0.251 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -100.5 | -0.1 | -179.1 | -65.6 | 171.3 | 0 | 0 | 0 | 112.4 | L1584 T1585 H1589 V1590 Y1595 N1599 | L1584-L1587 CarbonylContact O-C 3.55Å; L1584-L1587 PolarHBondContact O-N 3.26Å; T1585-L1587 VanDerWaalsContact C-N 3.29Å; T1585-L1587 PolarHBondContact O-N 3.46Å; L1587-H1589 PolarHBondContact O-N 3.27Å; L1587-H1589 VanDerWaalsContact O-N 3.12Å; L1587-V1590 HydrophobicContact CD2-CB 4.4Å; L1587-V1590 HydrophobicContact CD2-CG2 4.14Å; L1587-V1590 WeakPolarHBondContact O-CB 3.17Å; L1587-V1590 PolarHBondContact O-N 3.34Å; L1587-Y1595 HydrophobicContact CB-CE1 3.96Å; L1587-Y1595 WeakPolarHBondContact O-CE1 3.21Å; L1587-Y1595 PolarHBondContact O-OH 3.34Å; L1587-N1599 HydrophobicContact CD1-CB 4.48Å; L1587-N1599 WeakPolarHBondContact CD1-ND2 3.22Å |
| 1588 | A | 85.7 | Confident | 83.5 | Confident | 4 Ų | 4 | 48.2 Ų | 48.2 | 3% | 0.033 | 28% | 0.278 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -38.8 | -170.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | T1552 G1553 H1554 L1579 L1584 T1585 | T1552-A1588 WeakPolarHBondContact CB-O 3.27Å; G1553-A1588 PolarHBondContact N-O 3.32Å; H1554-A1588 HydrophobicContact CB-CB 4.38Å; H1554-A1588 WeakPolarHBondContact CB-O 3.1Å; H1554-A1588 PolarHBondContact N-O 3.17Å; L1579-A1588 HydrophobicContact CD1-CB 3.81Å; L1579-A1588 HydrophobicContact CD2-CB 4.28Å; L1584-A1588 PolarHBondContact O-N 2.93Å; T1585-A1588 VanDerWaalsContact O-CB 3.32Å; T1585-A1588 WeakPolarHBondContact O-CB 3.17Å; T1585-A1588 PolarHBondContact O-N 2.91Å |
| 1589 | H | 87.9 | Confident | 83.4 | Confident | 149 Ų | 149 | 49.4 Ų | 49.4 | 69% | 0.69 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | 2.2 | 179.7 | -57.2 | -61.4 | 0 | 0 | 0 | 114.2 | T1552 L1587 | T1552-H1589 VanDerWaalsContact CG2-O 3.22Å; T1552-H1589 WeakPolarHBondContact CG2-O 3.23Å; L1587-H1589 PolarHBondContact O-N 3.27Å; L1587-H1589 VanDerWaalsContact O-N 3.12Å |
| 1590 | V | 85 | Confident | 83.2 | Confident | 47 Ų | 47 | 54.1 Ų | 54.1 | 29% | 0.285 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -84.1 | 143.2 | 174.6 | -179.2 | 0 | 0 | 0 | 0 | 109.4 | T1552 L1587 R1594 Y1595 | T1552-V1590 WeakPolarHBondContact CA-O 3.49Å; L1587-V1590 HydrophobicContact CD2-CB 4.4Å; L1587-V1590 HydrophobicContact CD2-CG2 4.14Å; L1587-V1590 WeakPolarHBondContact O-CB 3.17Å; L1587-V1590 PolarHBondContact O-N 3.34Å; V1590-R1594 HydrophobicContact CG1-CB 4.02Å; V1590-Y1595 HydrophobicContact CB-CE1 4.06Å; V1590-Y1595 HydrophobicContact CG1-CE1 4.33Å; V1590-Y1595 WeakPolarHBondContact O-CE1 3.39Å |
| 1591 | L | 86.4 | Confident | 83.2 | Confident | 50 Ų | 50 | 51.4 Ų | 51.4 | 26% | 0.262 | 28% | 0.282 | S | S | . | . | B | Isolated β-bridge | trans | -61 | 135.7 | 176.5 | -73.8 | 162.9 | 0 | 0 | 0 | 111.4 | Y1550 S1593 R1594 Y1595 | Y1550-L1591 VanDerWaalsContact O-CD2 3.29Å; Y1550-L1591 WeakPolarHBondContact O-CD2 3.39Å; L1591-S1593 PolarHBondContact O-N 3.46Å; L1591-S1593 VanDerWaalsContact O-N 3.13Å; L1591-R1594 PolarHBondContact O-N 3.17Å; L1591-Y1595 WeakPolarHBondContact O-CD1 3.39Å |
| 1592 | V | 86.7 | Confident | 83.5 | Confident | 2 Ų | 2 | 49.8 Ų | 49.8 | 1% | 0.012 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -59.3 | -27.3 | 178.4 | 172 | 0 | 0 | 0 | 0 | 111.9 | L1547 L1551 R1594 Y1595 R1600 L1603 | L1547-V1592 HydrophobicContact CB-CG1 3.94Å; L1547-V1592 HydrophobicContact CD1-CG1 3.82Å; L1547-V1592 HydrophobicContact CG-CG1 4.49Å; L1551-V1592 WeakPolarHBondContact O-CB 3.43Å; L1551-V1592 WeakPolarHBondContact O-CG2 3.38Å; L1551-V1592 PolarHBondContact O-N 3.03Å; V1592-R1594 PolarHBondContact O-N 2.89Å; V1592-R1594 VanDerWaalsContact O-N 3.17Å; V1592-Y1595 HydrophobicContact CG2-CE2 4.44Å; V1592-Y1595 WeakPolarHBondContact O-CB 3.43Å; V1592-Y1595 PolarHBondContact O-N 3.4Å; V1592-R1600 HydrophobicContact CG1-CG 4.28Å; V1592-L1603 HydrophobicContact CG1-CD2 4.43Å; V1592-L1603 HydrophobicContact CG2-CD2 3.54Å |
| 1593 | S | 76.6 | Confident | 83.9 | Confident | 69 Ų | 69 | 49.6 Ų | 49.6 | 48% | 0.483 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -58.6 | -25.9 | 173.1 | 71.7 | 0 | 0 | 0 | 0 | 114.2 | P1549 L1591 | P1549-S1593 WeakPolarHBondContact O-CB 3.28Å; P1549-S1593 PolarHBondContact O-N 2.99Å; L1591-S1593 PolarHBondContact O-N 3.46Å; L1591-S1593 VanDerWaalsContact O-N 3.13Å |
| 1594 | R | 76.2 | Confident | 84.3 | Confident | 155 Ų | 155 | 45.6 Ų | 45.6 | 59% | 0.585 | 25% | 0.251 | S | S | * | . | G | 310 helix | trans | -94.2 | -4.6 | 178.7 | -64.8 | -173.8 | 178.8 | 175.4 | 0.7 | 112.6 | V1590 L1591 V1592 | V1590-R1594 HydrophobicContact CG1-CB 4.02Å; L1591-R1594 PolarHBondContact O-N 3.17Å; V1592-R1594 PolarHBondContact O-N 2.89Å; V1592-R1594 VanDerWaalsContact O-N 3.17Å |
| 1595 | Y | 79.1 | Confident | 84.6 | Confident | 6 Ų | 6 | 45.6 Ų | 45.6 | 2% | 0.024 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -69.2 | 139.1 | 177.6 | -77.3 | 24.5 | 0 | 0 | 0 | 110 | G1553 L1584 L1587 V1590 L1591 V1592 N1599 R1600 L1603 | G1553-Y1595 WeakPolarHBondContact CA-OH 3.44Å; G1553-Y1595 PolarHBondContact N-OH 2.87Å; L1584-Y1595 HydrophobicContact CD2-CE2 4.38Å; L1587-Y1595 HydrophobicContact CB-CE1 3.96Å; L1587-Y1595 WeakPolarHBondContact O-CE1 3.21Å; L1587-Y1595 PolarHBondContact O-OH 3.34Å; V1590-Y1595 HydrophobicContact CB-CE1 4.06Å; V1590-Y1595 HydrophobicContact CG1-CE1 4.33Å; V1590-Y1595 WeakPolarHBondContact O-CE1 3.39Å; L1591-Y1595 WeakPolarHBondContact O-CD1 3.39Å; V1592-Y1595 HydrophobicContact CG2-CE2 4.44Å; V1592-Y1595 WeakPolarHBondContact O-CB 3.43Å; V1592-Y1595 PolarHBondContact O-N 3.4Å; Y1595-N1599 HydrophobicContact CD2-CB 3.97Å; Y1595-N1599 HydrophobicContact CG-CB 4.24Å; Y1595-R1600 PolarHBondContact O-NE 3.44Å; Y1595-R1600 PolarHBondContact O-NH2 3.36Å; Y1595-L1603 HydrophobicContact CE2-CD2 4.14Å |
| 1596 | S | 75.3 | Confident | 84.9 | Confident | 48 Ų | 48 | 41.8 Ų | 41.8 | 34% | 0.336 | 23% | 0.227 | S | C | . | . | trans | -59.5 | 161.3 | 166 | 63.5 | 0 | 0 | 0 | 0 | 110.5 | G1598 N1599 R1600 | S1596-G1598 VanDerWaalsContact C-N 3.31Å; S1596-G1598 PolarHBondContact O-N 3.4Å; S1596-N1599 PolarHBondContact O-N 3.39Å; S1596-N1599 WeakPolarHBondContact OG-CB 3.4Å; S1596-N1599 VanDerWaalsContact OG-CG 3.3Å; S1596-N1599 PolarHBondContact OG-N 2.93Å; S1596-N1599 PolarHBondContact OG-ND2 2.97Å; S1596-R1600 PolarHBondContact O-N 2.82Å | ||
| 1597 | G | 76.8 | Confident | 85.4 | Confident | 41 Ų | 41 | 36.8 Ų | 36.8 | 42% | 0.423 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -53 | -49.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | N1599 R1600 R1601 | G1597-N1599 PolarHBondContact O-N 2.85Å; G1597-R1600 WeakPolarHBondContact O-CB 3.36Å; G1597-R1600 PolarHBondContact O-N 3.32Å; G1597-R1601 PolarHBondContact O-N 2.91Å |
| 1598 | G | 79.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 34.5 Ų | 34.5 | 1% | 0.01 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.4 | -37.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | S1596 R1601 K1602 G1624 | S1596-G1598 VanDerWaalsContact C-N 3.31Å; S1596-G1598 PolarHBondContact O-N 3.4Å; G1598-R1601 WeakPolarHBondContact O-CB 3.49Å; G1598-R1601 PolarHBondContact O-N 3.22Å; G1598-K1602 WeakPolarHBondContact O-CG 3.36Å; G1598-K1602 PolarHBondContact O-N 3.09Å; G1598-G1624 VanDerWaalsContact CA-O 3.22Å; G1598-G1624 WeakPolarHBondContact CA-O 3.39Å; G1598-G1624 PolarHBondContact N-O 3.36Å |
| 1599 | N | 86.2 | Confident | 86 | Confident | 26 Ų | 26 | 34.3 Ų | 34.3 | 14% | 0.139 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -73.9 | -32.3 | 177.8 | -71.3 | -19.7 | 0 | 0 | 0 | 112.8 | L1584 L1587 Y1595 S1596 G1597 R1601 K1602 L1603 | L1584-N1599 HydrophobicContact CD2-CB 4.17Å; L1587-N1599 HydrophobicContact CD1-CB 4.48Å; L1587-N1599 WeakPolarHBondContact CD1-ND2 3.22Å; Y1595-N1599 HydrophobicContact CD2-CB 3.97Å; Y1595-N1599 HydrophobicContact CG-CB 4.24Å; S1596-N1599 PolarHBondContact O-N 3.39Å; S1596-N1599 WeakPolarHBondContact OG-CB 3.4Å; S1596-N1599 VanDerWaalsContact OG-CG 3.3Å; S1596-N1599 PolarHBondContact OG-N 2.93Å; S1596-N1599 PolarHBondContact OG-ND2 2.97Å; G1597-N1599 PolarHBondContact O-N 2.85Å; N1599-R1601 VanDerWaalsContact C-N 3.29Å; N1599-K1602 PolarHBondContact OD1-NZ 3.48Å; N1599-L1603 PolarHBondContact O-N 3.31Å; N1599-L1603 VanDerWaalsContact O-N 3.14Å |
| 1600 | R | 88 | Confident | 86.1 | Confident | 101 Ų | 101 | 27.2 Ų | 27.2 | 38% | 0.381 | 15% | 0.146 | S | C | . | . | H | α-helix | trans | -62.5 | -42 | 168.9 | -73.6 | -177.3 | -108.4 | 163.8 | -1.2 | 110.5 | D1545 L1547 V1592 Y1595 S1596 G1597 L1603 S1604 | D1545-R1600 HydrophobicContact CB-CB 4.28Å; D1545-R1600 WeakPolarHBondContact OD2-CB 3.08Å; L1547-R1600 HydrophobicContact CD1-CB 3.76Å; L1547-R1600 HydrophobicContact CD1-CG 4.02Å; V1592-R1600 HydrophobicContact CG1-CG 4.28Å; Y1595-R1600 PolarHBondContact O-NE 3.44Å; Y1595-R1600 PolarHBondContact O-NH2 3.36Å; S1596-R1600 PolarHBondContact O-N 2.82Å; G1597-R1600 WeakPolarHBondContact O-CB 3.36Å; G1597-R1600 PolarHBondContact O-N 3.32Å; R1600-L1603 WeakPolarHBondContact O-CB 3.32Å; R1600-L1603 PolarHBondContact O-N 2.87Å; R1600-L1603 VanDerWaalsContact O-N 3.17Å; R1600-S1604 PolarHBondContact O-N 2.94Å; R1600-S1604 PolarHBondContact O-OG 3.08Å |
| 1601 | R | 88.9 | Confident | 85.9 | Confident | 5 Ų | 5 | 25.1 Ų | 25.1 | 2% | 0.019 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -46.3 | 177.3 | -166.9 | 55.8 | 158 | 175.4 | -4.6 | 113 | P1542 Q1543 D1545 G1597 G1598 N1599 L1603 S1604 V1605 D1619 E1620 P1621 V1625 | P1542-R1601 PolarHBondContact O-NH1 3.49Å; Q1543-R1601 PolarHBondContact O-NH1 3.35Å; D1545-R1601 WeakPolarHBondContact OD1-CD 3.26Å; D1545-R1601 IonicContact OD1-NH1 2.98Å; G1597-R1601 PolarHBondContact O-N 2.91Å; G1598-R1601 WeakPolarHBondContact O-CB 3.49Å; G1598-R1601 PolarHBondContact O-N 3.22Å; N1599-R1601 VanDerWaalsContact C-N 3.29Å; R1601-L1603 VanDerWaalsContact C-N 3.29Å; R1601-L1603 PolarHBondContact O-N 3.09Å; R1601-S1604 WeakPolarHBondContact O-CB 3.41Å; R1601-S1604 PolarHBondContact O-N 3.35Å; R1601-S1604 VanDerWaalsContact O-N 3.1Å; R1601-V1605 PolarHBondContact O-N 3.03Å; R1601-D1619 PolarHBondContact NH2-O 3.38Å; R1601-E1620 PolarHBondContact NE-O 2.95Å; R1601-E1620 PolarHBondContact NH2-O 3.43Å; R1601-P1621 WeakPolarHBondContact CG-O 3.26Å; R1601-P1621 PolarHBondContact NE-O 3.43Å; R1601-V1625 HydrophobicContact CB-CG2 3.68Å; R1601-V1625 HydrophobicContact CG-CG2 3.65Å |
| 1602 | K | 90.6 | Very high | 85.7 | Confident | 12 Ų | 12 | 27.8 Ų | 27.8 | 5% | 0.052 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -53.8 | -45.8 | 172.2 | -71.5 | 173.1 | 179.8 | 177.1 | 0 | 112 | L1584 G1598 N1599 S1604 V1605 A1606 S1629 I1633 | L1584-K1602 HydrophobicContact CD1-CB 3.86Å; L1584-K1602 HydrophobicContact CD2-CB 4.4Å; L1584-K1602 HydrophobicContact CD2-CD 4.11Å; L1584-K1602 HydrophobicContact CG-CB 4.31Å; L1584-K1602 HydrophobicContact CG-CD 4.31Å; G1598-K1602 WeakPolarHBondContact O-CG 3.36Å; G1598-K1602 PolarHBondContact O-N 3.09Å; N1599-K1602 PolarHBondContact OD1-NZ 3.48Å; K1602-S1604 VanDerWaalsContact C-N 3.34Å; K1602-S1604 PolarHBondContact O-N 3.18Å; K1602-V1605 PolarHBondContact O-N 3.42Å; K1602-A1606 PolarHBondContact O-N 3.39Å; K1602-S1629 WeakPolarHBondContact CE-OG 3.11Å; K1602-S1629 PolarHBondContact NZ-OG 2.82Å; K1602-I1633 HydrophobicContact CG-CD1 4.13Å |
| 1603 | L | 92.4 | Very high | 85.6 | Confident | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -37.4 | 178.4 | -173.6 | 64.1 | 0 | 0 | 0 | 112.1 | L1547 T1556 L1557 L1584 V1592 Y1595 N1599 R1600 R1601 A1606 I1607 | L1547-L1603 HydrophobicContact CD1-CB 4.44Å; L1547-L1603 HydrophobicContact CD1-CD2 4.18Å; L1547-L1603 HydrophobicContact CD2-CD2 4.03Å; L1547-L1603 HydrophobicContact CD2-CG 4.12Å; T1556-L1603 HydrophobicContact CG2-CD2 4.32Å; L1557-L1603 HydrophobicContact CD1-CD1 4.29Å; L1557-L1603 HydrophobicContact CD2-CD1 4.18Å; L1557-L1603 HydrophobicContact CG-CD1 3.97Å; L1584-L1603 HydrophobicContact CD1-CB 4.36Å; V1592-L1603 HydrophobicContact CG1-CD2 4.43Å; V1592-L1603 HydrophobicContact CG2-CD2 3.54Å; Y1595-L1603 HydrophobicContact CE2-CD2 4.14Å; N1599-L1603 PolarHBondContact O-N 3.31Å; N1599-L1603 VanDerWaalsContact O-N 3.14Å; R1600-L1603 WeakPolarHBondContact O-CB 3.32Å; R1600-L1603 PolarHBondContact O-N 2.87Å; R1600-L1603 VanDerWaalsContact O-N 3.17Å; R1601-L1603 VanDerWaalsContact C-N 3.29Å; R1601-L1603 PolarHBondContact O-N 3.09Å; L1603-A1606 WeakPolarHBondContact O-CB 3.42Å; L1603-A1606 PolarHBondContact O-N 3.22Å; L1603-I1607 VanDerWaalsContact O-CG1 3.32Å; L1603-I1607 WeakPolarHBondContact O-CG1 3.43Å; L1603-I1607 PolarHBondContact O-N 3.02Å |
| 1604 | S | 92.4 | Very high | 86.2 | Confident | 6 Ų | 6 | 27.2 Ų | 27.2 | 4% | 0.042 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -61.7 | -41.8 | 173.4 | -63.9 | 0 | 0 | 0 | 0 | 112.1 | D1545 R1600 R1601 K1602 I1607 A1608 | D1545-S1604 WeakPolarHBondContact OD1-CB 3.35Å; D1545-S1604 PolarHBondContact OD1-OG 2.85Å; R1600-S1604 PolarHBondContact O-N 2.94Å; R1600-S1604 PolarHBondContact O-OG 3.08Å; R1601-S1604 WeakPolarHBondContact O-CB 3.41Å; R1601-S1604 PolarHBondContact O-N 3.35Å; R1601-S1604 VanDerWaalsContact O-N 3.1Å; K1602-S1604 VanDerWaalsContact C-N 3.34Å; K1602-S1604 PolarHBondContact O-N 3.18Å; S1604-I1607 PolarHBondContact O-N 3.09Å; S1604-A1608 PolarHBondContact O-N 3.34Å |
| 1605 | V | 92.4 | Very high | 87 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -63.6 | -42.9 | 174.2 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | R1601 K1602 I1607 A1608 L1609 P1621 I1633 | R1601-V1605 PolarHBondContact O-N 3.03Å; K1602-V1605 PolarHBondContact O-N 3.42Å; V1605-I1607 VanDerWaalsContact C-N 3.33Å; V1605-I1607 PolarHBondContact O-N 2.97Å; V1605-A1608 WeakPolarHBondContact O-CB 3.2Å; V1605-A1608 PolarHBondContact O-N 3.02Å; V1605-A1608 VanDerWaalsContact O-N 3.09Å; V1605-L1609 HydrophobicContact CG1-CD1 3.81Å; V1605-L1609 WeakPolarHBondContact O-CD1 3.32Å; V1605-L1609 WeakPolarHBondContact O-CG 3.35Å; V1605-L1609 PolarHBondContact O-N 3.2Å; V1605-P1621 HydrophobicContact CG2-CB 4.08Å; V1605-I1633 HydrophobicContact CG1-CG2 4.34Å |
| 1606 | A | 92.5 | Very high | 87.7 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.008 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -55.8 | -45.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L1557 L1582 K1602 L1603 A1608 L1609 V1610 | L1557-A1606 HydrophobicContact CD2-CB 3.64Å; L1582-A1606 HydrophobicContact CD1-CB 3.36Å; K1602-A1606 PolarHBondContact O-N 3.39Å; L1603-A1606 WeakPolarHBondContact O-CB 3.42Å; L1603-A1606 PolarHBondContact O-N 3.22Å; A1606-A1608 VanDerWaalsContact C-N 3.28Å; A1606-A1608 PolarHBondContact O-N 3.44Å; A1606-L1609 PolarHBondContact O-N 2.81Å; A1606-L1609 VanDerWaalsContact O-N 3.1Å; A1606-V1610 WeakPolarHBondContact O-CG2 3.43Å; A1606-V1610 PolarHBondContact O-N 3.32Å; A1606-V1610 VanDerWaalsContact O-N 3.08Å |
| 1607 | I | 92 | Very high | 88.6 | Confident | 1 Ų | 1 | 17.2 Ų | 17.2 | 1% | 0.005 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -62.4 | -35.5 | 178.3 | -66.1 | 162.3 | 0 | 0 | 0 | 111.6 | L1175 L1547 T1556 L1557 F1560 R1564 L1603 S1604 V1605 L1609 | L1175-I1607 HydrophobicContact CD2-CG2 4.06Å; L1175-I1607 HydrophobicContact CG-CG2 4.47Å; L1547-I1607 HydrophobicContact CD2-CD1 3.35Å; T1556-I1607 HydrophobicContact CG2-CD1 3.76Å; T1556-I1607 HydrophobicContact CG2-CG1 4.35Å; L1557-I1607 HydrophobicContact CD2-CG1 4.31Å; F1560-I1607 HydrophobicContact CB-CG2 4.18Å; F1560-I1607 HydrophobicContact CD1-CG2 3.81Å; F1560-I1607 HydrophobicContact CD2-CB 4.37Å; F1560-I1607 HydrophobicContact CD2-CD1 3.89Å; F1560-I1607 HydrophobicContact CD2-CG1 3.75Å; F1560-I1607 HydrophobicContact CD2-CG2 3.69Å; F1560-I1607 HydrophobicContact CE1-CG2 4.08Å; F1560-I1607 HydrophobicContact CE2-CD1 3.74Å; F1560-I1607 HydrophobicContact CE2-CG1 4.13Å; F1560-I1607 HydrophobicContact CE2-CG2 3.99Å; F1560-I1607 HydrophobicContact CG-CG1 4.38Å; F1560-I1607 HydrophobicContact CG-CG2 3.62Å; F1560-I1607 HydrophobicContact CZ-CG2 4.17Å; R1564-I1607 PolarHBondContact NH2-O 3.22Å; R1564-I1607 VanDerWaalsContact NH2-O 3.07Å; L1603-I1607 VanDerWaalsContact O-CG1 3.32Å; L1603-I1607 WeakPolarHBondContact O-CG1 3.43Å; L1603-I1607 PolarHBondContact O-N 3.02Å; S1604-I1607 PolarHBondContact O-N 3.09Å; V1605-I1607 VanDerWaalsContact C-N 3.33Å; V1605-I1607 PolarHBondContact O-N 2.97Å; I1607-L1609 VanDerWaalsContact C-N 3.29Å; I1607-L1609 PolarHBondContact O-N 2.93Å |
| 1608 | A | 91.5 | Very high | 89.4 | Confident | 0 Ų | 0 | 15.3 Ų | 15.3 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.7 | -34.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G1539 C1541 R1564 S1604 V1605 A1606 T1613 I1616 L1618 | G1539-A1608 WeakPolarHBondContact CA-O 3.29Å; C1541-A1608 HydrophobicContact CB-CB 4.05Å; R1564-A1608 PolarHBondContact NH1-O 2.95Å; R1564-A1608 PolarHBondContact NH2-O 3.39Å; S1604-A1608 PolarHBondContact O-N 3.34Å; V1605-A1608 WeakPolarHBondContact O-CB 3.2Å; V1605-A1608 PolarHBondContact O-N 3.02Å; V1605-A1608 VanDerWaalsContact O-N 3.09Å; A1606-A1608 VanDerWaalsContact C-N 3.28Å; A1606-A1608 PolarHBondContact O-N 3.44Å; A1608-T1613 PolarHBondContact O-OG1 2.67Å; A1608-I1616 HydrophobicContact CB-CG2 4.23Å; A1608-L1618 HydrophobicContact CB-CD2 4.03Å |
| 1609 | L | 90.9 | Very high | 89.9 | Confident | 1 Ų | 1 | 15.2 Ų | 15.2 | 1% | 0.005 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -84.4 | -28.6 | -174.5 | -66.8 | 160.8 | 0 | 0 | 0 | 115 | L1578 V1605 A1606 I1607 I1616 L1636 L1637 Y1640 R1645 | L1578-L1609 HydrophobicContact CD2-CB 4.22Å; V1605-L1609 HydrophobicContact CG1-CD1 3.81Å; V1605-L1609 WeakPolarHBondContact O-CD1 3.32Å; V1605-L1609 WeakPolarHBondContact O-CG 3.35Å; V1605-L1609 PolarHBondContact O-N 3.2Å; A1606-L1609 PolarHBondContact O-N 2.81Å; A1606-L1609 VanDerWaalsContact O-N 3.1Å; I1607-L1609 VanDerWaalsContact C-N 3.29Å; I1607-L1609 PolarHBondContact O-N 2.93Å; L1609-I1616 HydrophobicContact CD2-CD1 3.88Å; L1609-L1636 HydrophobicContact CD1-CD2 3.32Å; L1609-L1636 HydrophobicContact CD2-CD2 4.29Å; L1609-L1636 HydrophobicContact CG-CD2 4.44Å; L1609-L1637 HydrophobicContact CD2-CD2 4.28Å; L1609-Y1640 HydrophobicContact CD2-CD1 4.23Å; L1609-Y1640 HydrophobicContact CD2-CD2 4.07Å; L1609-Y1640 HydrophobicContact CD2-CE1 4.48Å; L1609-Y1640 HydrophobicContact CD2-CE2 4.37Å; L1609-Y1640 HydrophobicContact CD2-CG 3.99Å; L1609-R1645 PolarHBondContact O-NH1 2.84Å; L1609-R1645 VanDerWaalsContact O-NH1 3.09Å |
| 1610 | V | 89.5 | Confident | 90 | Very high | 0 Ų | 0 | 14.2 Ų | 14.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.6 | 138.4 | -178.4 | 155 | 0 | 0 | 0 | 0 | 113 | L1557 F1560 A1561 R1564 L1578 A1606 E1612 | L1557-V1610 HydrophobicContact CD2-CG2 3.83Å; F1560-V1610 HydrophobicContact CB-CG1 4.48Å; A1561-V1610 VanDerWaalsContact CA-CG1 3.48Å; A1561-V1610 HydrophobicContact CB-CG1 3.93Å; R1564-V1610 WeakPolarHBondContact CD-O 3.43Å; R1564-V1610 PolarHBondContact NH1-O 3.11Å; L1578-V1610 HydrophobicContact CD1-CB 4.41Å; L1578-V1610 HydrophobicContact CD1-CG2 3.43Å; L1578-V1610 VanDerWaalsContact CD1-CG2 3.43Å; A1606-V1610 WeakPolarHBondContact O-CG2 3.43Å; A1606-V1610 PolarHBondContact O-N 3.32Å; A1606-V1610 VanDerWaalsContact O-N 3.08Å; V1610-E1612 VanDerWaalsContact C-N 3.31Å; V1610-E1612 PolarHBondContact O-N 3.39Å |
| 1611 | G | 80.9 | Confident | 90 | Very high | 2 Ų | 2 | 9.4 Ų | 9.4 | 2% | 0.021 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.2 | 22.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | R908 E1574 | R908-G1611 VanDerWaalsContact CZ-O 3.25Å; R908-G1611 PolarHBondContact NE-O 3.35Å; R908-G1611 PolarHBondContact NH2-O 3.49Å; E1574-G1611 WeakPolarHBondContact OE1-CA 3.5Å; E1574-G1611 PolarHBondContact OE1-N 3.27Å |
| 1612 | E | 81.3 | Confident | 89.8 | Confident | 106 Ų | 106 | 9.6 Ų | 9.6 | 50% | 0.495 | 5% | 0.052 | S | C | . | . | trans | 61.5 | 54.2 | 166.4 | -41.9 | -154.5 | 125.1 | 0 | 0 | 118.5 | V1610 R1645 | V1610-E1612 VanDerWaalsContact C-N 3.31Å; V1610-E1612 PolarHBondContact O-N 3.39Å; E1612-R1645 VanDerWaalsContact CA-CZ 3.44Å; E1612-R1645 VanDerWaalsContact CA-NH2 3.27Å; E1612-R1645 VanDerWaalsContact CB-NH2 3.34Å; E1612-R1645 IonicContact OE1-NH2 3.39Å; E1612-R1645 PolarHBondContact OE1-NH2 3.41Å | ||
| 1613 | T | 86 | Confident | 89.1 | Confident | 1 Ų | 1 | 11.4 Ų | 11.4 | 1% | 0.006 | 6% | 0.064 | C | C | . | . | trans | -76.1 | 133.3 | 176.2 | 46 | 0 | 0 | 0 | 0 | 113.2 | G1539 R1564 A1608 R1645 | G1539-T1613 PolarHBondContact N-OG1 3.19Å; R1564-T1613 PolarHBondContact NH1-OG1 3.4Å; A1608-T1613 PolarHBondContact O-OG1 2.67Å; T1613-R1645 WeakPolarHBondContact O-CD 3.47Å | ||
| 1614 | P | 88.8 | Confident | 88.1 | Confident | 58 Ų | 58 | 13.2 Ų | 13.2 | 38% | 0.377 | 8% | 0.083 | S | C | . | . | S | Bend | trans | -68.1 | -34 | -178.7 | 25.3 | -35 | 0 | 0 | 0 | 114.1 | V1523 S1537 T1646 | V1523-P1614 HydrophobicContact CG1-CG 4.22Å; V1523-P1614 HydrophobicContact CG2-CG 4.13Å; S1537-P1614 VanDerWaalsContact O-CD 3.29Å; S1537-P1614 WeakPolarHBondContact O-CD 3.3Å; S1537-P1614 WeakPolarHBondContact O-CG 3.42Å; P1614-T1646 PolarHBondContact O-N 2.8Å |
| 1615 | L | 92.5 | Very high | 87.4 | Confident | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 8% | 0.082 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.4 | 127.7 | 175.4 | 179.5 | 65.9 | 0 | 0 | 0 | 109.5 | L1455 V1522 V1523 L1538 G1539 T1646 V1648 | L1455-L1615 HydrophobicContact CB-CD1 4.45Å; L1455-L1615 HydrophobicContact CB-CD2 4.16Å; L1455-L1615 HydrophobicContact CD1-CD2 4.29Å; V1522-L1615 HydrophobicContact CG1-CD2 3.78Å; V1522-L1615 HydrophobicContact CG2-CD2 4.49Å; V1523-L1615 HydrophobicContact CG2-CB 3.95Å; L1538-L1615 WeakPolarHBondContact CA-O 3.3Å; L1538-L1615 HydrophobicContact CD1-CB 4.24Å; L1538-L1615 HydrophobicContact CD1-CD2 3.61Å; L1538-L1615 HydrophobicContact CD1-CG 3.74Å; G1539-L1615 PolarHBondContact N-O 3.46Å; L1615-T1646 HydrophobicContact CD1-CG2 3.95Å; L1615-V1648 HydrophobicContact CD1-CG2 3.84Å |
| 1616 | I | 94.2 | Very high | 86.6 | Confident | 0 Ų | 0 | 13.6 Ų | 13.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 121.4 | 177.6 | -59.5 | 158.2 | 0 | 0 | 0 | 109.1 | G1539 A1608 L1609 L1618 R1645 T1646 L1647 V1648 | G1539-I1616 CarbonylContact O-C 3.54Å; G1539-I1616 WeakPolarHBondContact O-CA 3.35Å; A1608-I1616 HydrophobicContact CB-CG2 4.23Å; L1609-I1616 HydrophobicContact CD2-CD1 3.88Å; I1616-L1618 HydrophobicContact CG2-CD1 4.48Å; I1616-L1618 HydrophobicContact CG2-CD2 3.8Å; I1616-L1618 HydrophobicContact CG2-CG 3.95Å; I1616-R1645 HydrophobicContact CD1-CB 4.38Å; I1616-T1646 PolarHBondContact N-O 3.46Å; I1616-L1647 HydrophobicContact CB-CD2 3.97Å; I1616-L1647 HydrophobicContact CD1-CD2 4.14Å; I1616-L1647 HydrophobicContact CG2-CD2 4.2Å; I1616-V1648 PolarHBondContact O-N 3Å |
| 1617 | C | 94.1 | Very high | 85.7 | Confident | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.1 | 120.1 | 175.4 | -77 | 0 | 0 | 0 | 0 | 110.3 | F1506 L1538 G1539 Y1540 C1541 V1648 | F1506-C1617 HydrophobicContact CD1-CB 3.83Å; F1506-C1617 HydrophobicContact CE1-CB 3.62Å; L1538-C1617 HydrophobicContact CD1-CB 4.31Å; G1539-C1617 PolarHBondContact O-N 2.86Å; Y1540-C1617 CarbonylContact C-O 3.49Å; Y1540-C1617 WeakPolarHBondContact CA-O 3.3Å; Y1540-C1617 HydrophobicContact CD2-CB 4.05Å; C1541-C1617 PolarHBondContact N-O 2.99Å; C1617-V1648 CarbonylContact C-O 3.6Å; C1617-V1648 VanDerWaalsContact CA-O 3.27Å; C1617-V1648 WeakPolarHBondContact CA-O 3.43Å |
| 1618 | L | 93.5 | Very high | 85 | Confident | 0 Ų | 0 | 15.1 Ų | 15.1 | 0% | 0 | 9% | 0.092 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 112.2 | 179.8 | -57.5 | 172.9 | 0 | 0 | 0 | 110.7 | C1541 A1608 I1616 P1621 L1637 L1647 V1648 L1649 S1650 | C1541-L1618 HydrophobicContact CB-CD2 3.46Å; C1541-L1618 VanDerWaalsContact CB-CD2 3.46Å; A1608-L1618 HydrophobicContact CB-CD2 4.03Å; I1616-L1618 HydrophobicContact CG2-CD1 4.48Å; I1616-L1618 HydrophobicContact CG2-CD2 3.8Å; I1616-L1618 HydrophobicContact CG2-CG 3.95Å; L1618-P1621 HydrophobicContact CB-CB 4Å; L1618-P1621 HydrophobicContact CB-CG 3.81Å; L1618-P1621 HydrophobicContact CD1-CB 4.25Å; L1618-P1621 HydrophobicContact CD1-CG 4.19Å; L1618-L1637 HydrophobicContact CD1-CD1 3.64Å; L1618-L1637 HydrophobicContact CD1-CD2 3.63Å; L1618-L1637 HydrophobicContact CD1-CG 4.3Å; L1618-L1647 HydrophobicContact CD1-CD2 4.45Å; L1618-V1648 PolarHBondContact N-O 3.36Å; L1618-L1649 HydrophobicContact CB-CB 4.08Å; L1618-L1649 CarbonylContact O-C 3.4Å; L1618-L1649 WeakPolarHBondContact O-CA 3.5Å; L1618-S1650 PolarHBondContact O-N 3.34Å |
| 1619 | D | 90.3 | Very high | 84.4 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 10% | 0.096 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.2 | 100 | 177 | -169.7 | 13.7 | 0 | 0 | 0 | 109.7 | T1503 F1506 C1541 R1601 S1650 | T1503-D1619 WeakPolarHBondContact CG2-OD2 3.42Å; T1503-D1619 PolarHBondContact OG1-OD2 2.86Å; F1506-D1619 HydrophobicContact CD1-CB 4.16Å; C1541-D1619 WeakPolarHBondContact O-CB 3.34Å; C1541-D1619 PolarHBondContact O-N 2.96Å; R1601-D1619 PolarHBondContact NH2-O 3.38Å; D1619-S1650 WeakPolarHBondContact CA-OG 3.37Å; D1619-S1650 PolarHBondContact OD1-OG 3.28Å |
| 1620 | E | 86.7 | Confident | 83.9 | Confident | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.019 | 10% | 0.098 | C | C | . | . | S | Bend | trans | 63.5 | 48.9 | -178.5 | -58.8 | -63.2 | 148.5 | 0 | 0 | 116.1 | R1601 T1622 T1623 S1650 S1651 H1652 | R1601-E1620 PolarHBondContact NE-O 2.95Å; R1601-E1620 PolarHBondContact NH2-O 3.43Å; E1620-T1622 PolarHBondContact O-N 3.26Å; E1620-T1623 HydrophobicContact CB-CG2 4.36Å; E1620-T1623 WeakPolarHBondContact CB-OG1 3.29Å; E1620-T1623 PolarHBondContact O-N 3.29Å; E1620-T1623 PolarHBondContact O-OG1 3.06Å; E1620-S1650 VanDerWaalsContact CA-O 3.26Å; E1620-S1650 WeakPolarHBondContact CA-O 3.25Å; E1620-S1650 PolarHBondContact N-O 2.97Å; E1620-S1651 VanDerWaalsContact CD-CA 3.45Å; E1620-S1651 WeakPolarHBondContact OE1-CA 3.37Å; E1620-S1651 PolarHBondContact OE1-N 3.31Å; E1620-S1651 WeakPolarHBondContact OE2-CA 3.27Å; E1620-H1652 VanDerWaalsContact CD-N 3.34Å; E1620-H1652 IonicContact OE1-CD2 3.19Å; E1620-H1652 PolarHBondContact OE1-CD2 3.2Å; E1620-H1652 IonicContact OE1-CG 3.83Å; E1620-H1652 PolarHBondContact OE1-N 3.22Å; E1620-H1652 IonicContact OE1-NE2 2.72Å; E1620-H1652 PolarHBondContact OE1-NE2 3.26Å; E1620-H1652 IonicContact OE2-CD2 2.98Å; E1620-H1652 PolarHBondContact OE2-CD2 3.44Å; E1620-H1652 VanDerWaalsContact OE2-CD2 3.3Å; E1620-H1652 IonicContact OE2-CG 3.11Å; E1620-H1652 PolarHBondContact OE2-N 2.85Å |
| 1621 | P | 88.3 | Confident | 83.4 | Confident | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 10% | 0.103 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59 | -23 | -161.8 | 21.2 | -29.8 | 0 | 0 | 0 | 116.1 | R1601 V1605 L1618 E1656 | R1601-P1621 WeakPolarHBondContact CG-O 3.26Å; R1601-P1621 PolarHBondContact NE-O 3.43Å; V1605-P1621 HydrophobicContact CG2-CB 4.08Å; L1618-P1621 HydrophobicContact CB-CB 4Å; L1618-P1621 HydrophobicContact CB-CG 3.81Å; L1618-P1621 HydrophobicContact CD1-CB 4.25Å; L1618-P1621 HydrophobicContact CD1-CG 4.19Å; P1621-E1656 WeakPolarHBondContact CG-OE1 3.44Å |
| 1622 | T | 85.5 | Confident | 83.4 | Confident | 10 Ų | 10 | 20.7 Ų | 20.7 | 6% | 0.061 | 12% | 0.117 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -111.2 | 11 | -177 | 62 | 0 | 0 | 0 | 0 | 115.4 | E1620 G1624 V1625 R1630 I1633 E1656 | E1620-T1622 PolarHBondContact O-N 3.26Å; T1622-G1624 PolarHBondContact O-N 3.08Å; T1622-V1625 WeakPolarHBondContact O-CB 3.13Å; T1622-V1625 PolarHBondContact O-N 2.96Å; T1622-R1630 HydrophobicContact CG2-CB 4.21Å; T1622-R1630 HydrophobicContact CG2-CG 3.85Å; T1622-R1630 WeakPolarHBondContact OG1-CD 3.42Å; T1622-I1633 HydrophobicContact CG2-CB 4.44Å; T1622-I1633 HydrophobicContact CG2-CD1 4.3Å; T1622-I1633 HydrophobicContact CG2-CG2 4.17Å; T1622-E1656 WeakPolarHBondContact CG2-OE1 3.43Å; T1622-E1656 VanDerWaalsContact OG1-CD 3.3Å; T1622-E1656 PolarHBondContact OG1-OE1 3.47Å; T1622-E1656 VanDerWaalsContact OG1-OE1 3.08Å; T1622-E1656 PolarHBondContact OG1-OE2 2.94Å |
| 1623 | T | 76.6 | Confident | 83.7 | Confident | 50 Ų | 50 | 15.7 Ų | 15.7 | 31% | 0.307 | 9% | 0.094 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | 130.5 | 175.8 | 22.2 | 0 | 0 | 0 | 0 | 111.8 | E1620 V1625 | E1620-T1623 HydrophobicContact CB-CG2 4.36Å; E1620-T1623 WeakPolarHBondContact CB-OG1 3.29Å; E1620-T1623 PolarHBondContact O-N 3.29Å; E1620-T1623 PolarHBondContact O-OG1 3.06Å; T1623-V1625 PolarHBondContact O-N 3Å |
| 1624 | G | 69.5 | Low | 83.7 | Confident | 38 Ų | 38 | 16.5 Ų | 16.5 | 39% | 0.392 | 10% | 0.097 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 70.3 | 9.8 | -179.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | N598 G1598 T1622 | N598-G1624 PolarHBondContact ND2-O 3.32Å; G1598-G1624 VanDerWaalsContact CA-O 3.22Å; G1598-G1624 WeakPolarHBondContact CA-O 3.39Å; G1598-G1624 PolarHBondContact N-O 3.36Å; T1622-G1624 PolarHBondContact O-N 3.08Å |
| 1625 | V | 78.8 | Confident | 83.4 | Confident | 4 Ų | 4 | 18.4 Ų | 18.4 | 2% | 0.024 | 10% | 0.104 | C | C | . | . | trans | -95.6 | 138.2 | 175 | -175.6 | 0 | 0 | 0 | 0 | 109.2 | R1601 T1622 T1623 R1630 I1633 | R1601-V1625 HydrophobicContact CB-CG2 3.68Å; R1601-V1625 HydrophobicContact CG-CG2 3.65Å; T1622-V1625 WeakPolarHBondContact O-CB 3.13Å; T1622-V1625 PolarHBondContact O-N 2.96Å; T1623-V1625 PolarHBondContact O-N 3Å; V1625-R1630 HydrophobicContact CG1-CB 4.4Å; V1625-I1633 HydrophobicContact CG1-CD1 4.07Å; V1625-I1633 HydrophobicContact CG2-CD1 4.37Å | ||
| 1626 | D | 75.3 | Confident | 83.2 | Confident | 10 Ų | 10 | 18.8 Ų | 18.8 | 5% | 0.053 | 11% | 0.106 | C | C | . | . | trans | -64.6 | 153.7 | 177.1 | 54.7 | -82.8 | 0 | 0 | 0 | 111.6 | N598 I1628 S1629 R1630 | N598-D1626 HydrophobicContact CB-CB 4.04Å; N598-D1626 PolarHBondContact ND2-N 2.82Å; N598-D1626 VanDerWaalsContact ND2-N 3.12Å; N598-D1626 PolarHBondContact ND2-OD1 3.48Å; N598-D1626 VanDerWaalsContact ND2-OD1 3.14Å; D1626-I1628 VanDerWaalsContact C-N 3.28Å; D1626-I1628 PolarHBondContact O-N 3.06Å; D1626-S1629 VanDerWaalsContact CG-CB 3.48Å; D1626-S1629 PolarHBondContact O-N 3.12Å; D1626-S1629 VanDerWaalsContact O-N 3.15Å; D1626-S1629 WeakPolarHBondContact OD1-CB 3.5Å; D1626-S1629 PolarHBondContact OD1-OG 3.45Å; D1626-S1629 WeakPolarHBondContact OD2-CB 2.94Å; D1626-S1629 PolarHBondContact OD2-N 3.13Å; D1626-S1629 PolarHBondContact OD2-OG 3.13Å; D1626-R1630 WeakPolarHBondContact O-CB 3.48Å; D1626-R1630 PolarHBondContact O-N 2.77Å | ||
| 1627 | P | 73.8 | Confident | 83 | Confident | 7 Ų | 7 | 18.8 Ų | 18.8 | 5% | 0.045 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -54.2 | -40.4 | -175.1 | -19.5 | 22.6 | 0 | 0 | 0 | 114.2 | M753 F866 R1630 R1631 | M753-P1627 HydrophobicContact CE-CB 4.42Å; M753-P1627 HydrophobicContact CE-CG 3.34Å; M753-P1627 HydrophobicContact CG-CG 4.5Å; F866-P1627 HydrophobicContact CD1-CB 4.02Å; F866-P1627 HydrophobicContact CD1-CG 4.02Å; F866-P1627 HydrophobicContact CE1-CB 4.18Å; F866-P1627 HydrophobicContact CE1-CG 3.94Å; P1627-R1630 PolarHBondContact O-N 3.01Å; P1627-R1631 PolarHBondContact O-N 2.9Å |
| 1628 | I | 76.6 | Confident | 82.6 | Confident | 26 Ų | 26 | 19.6 Ų | 19.6 | 13% | 0.133 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.1 | -48.3 | -179.1 | -62.9 | 158.3 | 0 | 0 | 0 | 110.1 | H597 F866 S870 D1626 R1630 R1631 H1632 | H597-I1628 HydrophobicContact CB-CD1 4.21Å; F866-I1628 HydrophobicContact CD1-CG1 4.39Å; F866-I1628 HydrophobicContact CE1-CD1 3.82Å; F866-I1628 HydrophobicContact CE1-CG1 3.87Å; F866-I1628 HydrophobicContact CZ-CD1 4.43Å; S870-I1628 WeakPolarHBondContact OG-CD1 3.15Å; D1626-I1628 VanDerWaalsContact C-N 3.28Å; D1626-I1628 PolarHBondContact O-N 3.06Å; I1628-R1630 VanDerWaalsContact C-N 3.3Å; I1628-R1630 PolarHBondContact O-N 3.07Å; I1628-R1631 PolarHBondContact O-N 3.44Å; I1628-H1632 PolarHBondContact O-N 3.42Å; I1628-H1632 VanDerWaalsContact O-N 3.15Å; I1628-H1632 PolarHBondContact O-ND1 3.35Å |
| 1629 | S | 80.1 | Confident | 82.3 | Confident | 11 Ų | 11 | 23.9 Ų | 23.9 | 8% | 0.077 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -65.5 | -35.5 | 177.8 | -67.3 | 0 | 0 | 0 | 0 | 112.6 | K1602 D1626 H1632 I1633 | K1602-S1629 WeakPolarHBondContact CE-OG 3.11Å; K1602-S1629 PolarHBondContact NZ-OG 2.82Å; D1626-S1629 VanDerWaalsContact CG-CB 3.48Å; D1626-S1629 PolarHBondContact O-N 3.12Å; D1626-S1629 VanDerWaalsContact O-N 3.15Å; D1626-S1629 WeakPolarHBondContact OD1-CB 3.5Å; D1626-S1629 PolarHBondContact OD1-OG 3.45Å; D1626-S1629 WeakPolarHBondContact OD2-CB 2.94Å; D1626-S1629 PolarHBondContact OD2-N 3.13Å; D1626-S1629 PolarHBondContact OD2-OG 3.13Å; S1629-H1632 PolarHBondContact O-N 3.29Å; S1629-I1633 WeakPolarHBondContact O-CG1 3.34Å; S1629-I1633 PolarHBondContact O-N 3.38Å |
| 1630 | R | 81 | Confident | 82.1 | Confident | 10 Ų | 10 | 25 Ų | 25 | 4% | 0.038 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.4 | -44.8 | 174.7 | 163.8 | 159.8 | 45.1 | 110.5 | 4.6 | 111.3 | E863 T1622 V1625 D1626 P1627 I1628 H1632 I1633 W1634 E1655 | E863-R1630 IonicContact OE1-CZ 3.72Å; E863-R1630 IonicContact OE1-NH1 3.19Å; E863-R1630 PolarHBondContact OE1-NH1 3.19Å; E863-R1630 IonicContact OE1-NH2 3.52Å; E863-R1630 PolarHBondContact OE1-NH2 3.18Å; E863-R1630 IonicContact OE2-NH1 3.5Å; E863-R1630 PolarHBondContact OE2-NH1 2.91Å; T1622-R1630 HydrophobicContact CG2-CB 4.21Å; T1622-R1630 HydrophobicContact CG2-CG 3.85Å; T1622-R1630 WeakPolarHBondContact OG1-CD 3.42Å; V1625-R1630 HydrophobicContact CG1-CB 4.4Å; D1626-R1630 WeakPolarHBondContact O-CB 3.48Å; D1626-R1630 PolarHBondContact O-N 2.77Å; P1627-R1630 PolarHBondContact O-N 3.01Å; I1628-R1630 VanDerWaalsContact C-N 3.3Å; I1628-R1630 PolarHBondContact O-N 3.07Å; R1630-H1632 PolarHBondContact O-N 3.39Å; R1630-I1633 WeakPolarHBondContact O-CB 3.3Å; R1630-I1633 PolarHBondContact O-N 3.42Å; R1630-W1634 HydrophobicContact CG-CD2 4.17Å; R1630-W1634 VanDerWaalsContact CG-CE2 3.49Å; R1630-W1634 HydrophobicContact CG-CH2 4.12Å; R1630-W1634 HydrophobicContact CG-CZ2 3.46Å; R1630-W1634 VanDerWaalsContact CG-CZ2 3.46Å; R1630-W1634 VanDerWaalsContact O-CG 3.29Å; R1630-W1634 PolarHBondContact O-N 3.5Å; R1630-E1655 IonicContact NH1-OE2 3.47Å |
| 1631 | R | 77.5 | Confident | 82.1 | Confident | 31 Ų | 31 | 26.9 Ų | 26.9 | 12% | 0.117 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59 | -45.4 | 172.2 | -96.4 | 178.4 | 177.1 | 155.4 | 2.4 | 113.3 | E863 E864 F867 P1627 I1628 I1633 W1634 D1635 | E863-R1631 PolarHBondContact O-NH1 2.92Å; E863-R1631 VanDerWaalsContact O-NH1 3.16Å; E864-R1631 IonicContact OE1-NH1 3.59Å; E864-R1631 IonicContact OE2-CZ 3.98Å; E864-R1631 IonicContact OE2-NH1 3.15Å; E864-R1631 IonicContact OE2-NH2 2.64Å; E864-R1631 PolarHBondContact OE2-NH2 2.89Å; F867-R1631 VanDerWaalsContact CG-NH1 3.26Å; P1627-R1631 PolarHBondContact O-N 2.9Å; I1628-R1631 PolarHBondContact O-N 3.44Å; R1631-I1633 VanDerWaalsContact C-N 3.31Å; R1631-I1633 PolarHBondContact O-N 3.42Å; R1631-W1634 HydrophobicContact CG-CE3 4.27Å; R1631-W1634 WeakPolarHBondContact O-CB 3.13Å; R1631-W1634 PolarHBondContact O-N 3.2Å; R1631-D1635 PolarHBondContact O-N 3.49Å |
| 1632 | H | 81.5 | Confident | 81.8 | Confident | 68 Ų | 68 | 35.4 Ų | 35.4 | 32% | 0.315 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -59.8 | -41.5 | 175.6 | -73.1 | 111.8 | 0 | 0 | 0 | 112.4 | I1628 S1629 R1630 W1634 D1635 L1636 | I1628-H1632 PolarHBondContact O-N 3.42Å; I1628-H1632 VanDerWaalsContact O-N 3.15Å; I1628-H1632 PolarHBondContact O-ND1 3.35Å; S1629-H1632 PolarHBondContact O-N 3.29Å; R1630-H1632 PolarHBondContact O-N 3.39Å; H1632-W1634 VanDerWaalsContact C-N 3.3Å; H1632-W1634 PolarHBondContact O-N 2.94Å; H1632-D1635 PolarHBondContact O-N 3.17Å; H1632-L1636 VanDerWaalsContact O-CB 3.24Å; H1632-L1636 WeakPolarHBondContact O-CB 3.29Å; H1632-L1636 PolarHBondContact O-N 3.13Å |
| 1633 | I | 87.1 | Confident | 81.8 | Confident | 1 Ų | 1 | 40.1 Ų | 40.1 | 1% | 0.005 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.5 | -43.3 | 174 | -69 | 166 | 0 | 0 | 0 | 110.1 | L1582 K1602 V1605 T1622 V1625 S1629 R1630 R1631 L1636 L1637 | L1582-I1633 HydrophobicContact CD2-CG1 3.87Å; K1602-I1633 HydrophobicContact CG-CD1 4.13Å; V1605-I1633 HydrophobicContact CG1-CG2 4.34Å; T1622-I1633 HydrophobicContact CG2-CB 4.44Å; T1622-I1633 HydrophobicContact CG2-CD1 4.3Å; T1622-I1633 HydrophobicContact CG2-CG2 4.17Å; V1625-I1633 HydrophobicContact CG1-CD1 4.07Å; V1625-I1633 HydrophobicContact CG2-CD1 4.37Å; S1629-I1633 WeakPolarHBondContact O-CG1 3.34Å; S1629-I1633 PolarHBondContact O-N 3.38Å; R1630-I1633 WeakPolarHBondContact O-CB 3.3Å; R1630-I1633 PolarHBondContact O-N 3.42Å; R1631-I1633 VanDerWaalsContact C-N 3.31Å; R1631-I1633 PolarHBondContact O-N 3.42Å; I1633-L1636 WeakPolarHBondContact O-CB 3.39Å; I1633-L1636 PolarHBondContact O-N 2.77Å; I1633-L1637 HydrophobicContact CG2-CD1 3.96Å; I1633-L1637 HydrophobicContact CG2-CG 4.22Å; I1633-L1637 VanDerWaalsContact O-CG 3.3Å; I1633-L1637 WeakPolarHBondContact O-CG 3.32Å; I1633-L1637 PolarHBondContact O-N 3.24Å |
| 1634 | W | 85.9 | Confident | 82.2 | Confident | 18 Ų | 18 | 39.5 Ų | 39.5 | 7% | 0.068 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -63.9 | -47.4 | -179.6 | -64.4 | -10.6 | 0 | 0 | 0 | 112.8 | R1630 R1631 H1632 L1636 L1637 L1638 E1655 E1656 A1659 L1660 | R1630-W1634 HydrophobicContact CG-CD2 4.17Å; R1630-W1634 VanDerWaalsContact CG-CE2 3.49Å; R1630-W1634 HydrophobicContact CG-CH2 4.12Å; R1630-W1634 HydrophobicContact CG-CZ2 3.46Å; R1630-W1634 VanDerWaalsContact CG-CZ2 3.46Å; R1630-W1634 VanDerWaalsContact O-CG 3.29Å; R1630-W1634 PolarHBondContact O-N 3.5Å; R1631-W1634 HydrophobicContact CG-CE3 4.27Å; R1631-W1634 WeakPolarHBondContact O-CB 3.13Å; R1631-W1634 PolarHBondContact O-N 3.2Å; H1632-W1634 VanDerWaalsContact C-N 3.3Å; H1632-W1634 PolarHBondContact O-N 2.94Å; W1634-L1636 PolarHBondContact O-N 2.98Å; W1634-L1637 PolarHBondContact O-N 2.96Å; W1634-L1637 VanDerWaalsContact O-N 3.16Å; W1634-L1638 WeakPolarHBondContact O-CG 3.03Å; W1634-L1638 PolarHBondContact O-N 3Å; W1634-E1655 HydrophobicContact CH2-CB 4.29Å; W1634-E1656 VanDerWaalsContact CZ2-CA 3.45Å; W1634-E1656 HydrophobicContact CZ2-CB 3.69Å; W1634-E1656 HydrophobicContact CZ2-CG 4.2Å; W1634-E1656 PolarHBondContact NE1-OE1 2.96Å; W1634-A1659 HydrophobicContact CD2-CB 4.11Å; W1634-A1659 HydrophobicContact CE3-CB 3.6Å; W1634-A1659 HydrophobicContact CH2-CB 4.29Å; W1634-A1659 HydrophobicContact CZ3-CB 3.71Å; W1634-L1660 HydrophobicContact CB-CD2 3.78Å; W1634-L1660 HydrophobicContact CB-CG 4.37Å; W1634-L1660 HydrophobicContact CG-CD1 4.25Å; W1634-L1660 HydrophobicContact CG-CD2 4.08Å; W1634-L1660 HydrophobicContact CG-CG 4.14Å |
| 1635 | D | 83.7 | Confident | 83.1 | Confident | 98 Ų | 98 | 38.5 Ų | 38.5 | 52% | 0.524 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -58.7 | -39.7 | 176.7 | -69.6 | -27.1 | 0 | 0 | 0 | 111.2 | R1631 H1632 L1638 K1639 | R1631-D1635 PolarHBondContact O-N 3.49Å; H1632-D1635 PolarHBondContact O-N 3.17Å; D1635-L1638 PolarHBondContact O-N 3.19Å; D1635-K1639 WeakPolarHBondContact O-CB 3.19Å; D1635-K1639 PolarHBondContact O-N 3.13Å |
| 1636 | L | 87.9 | Confident | 83.8 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 4% | 0.042 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.5 | -50.7 | 174.7 | -171 | 158.8 | 0 | 0 | 0 | 111.1 | D1581 L1582 L1609 H1632 I1633 W1634 L1638 K1639 Y1640 | D1581-L1636 HydrophobicContact CB-CD1 3.59Å; L1582-L1636 HydrophobicContact CD2-CD1 3.86Å; L1582-L1636 HydrophobicContact CG-CD1 3.8Å; L1609-L1636 HydrophobicContact CD1-CD2 3.32Å; L1609-L1636 HydrophobicContact CD2-CD2 4.29Å; L1609-L1636 HydrophobicContact CG-CD2 4.44Å; H1632-L1636 VanDerWaalsContact O-CB 3.24Å; H1632-L1636 WeakPolarHBondContact O-CB 3.29Å; H1632-L1636 PolarHBondContact O-N 3.13Å; I1633-L1636 WeakPolarHBondContact O-CB 3.39Å; I1633-L1636 PolarHBondContact O-N 2.77Å; W1634-L1636 PolarHBondContact O-N 2.98Å; L1636-L1638 VanDerWaalsContact C-N 3.27Å; L1636-L1638 PolarHBondContact O-N 3.07Å; L1636-K1639 WeakPolarHBondContact O-CB 3.39Å; L1636-K1639 PolarHBondContact O-N 3.1Å; L1636-K1639 VanDerWaalsContact O-N 3.09Å; L1636-Y1640 HydrophobicContact CD2-CD2 3.48Å; L1636-Y1640 VanDerWaalsContact CD2-CD2 3.48Å; L1636-Y1640 HydrophobicContact CD2-CE2 3.54Å; L1636-Y1640 HydrophobicContact CG-CD2 4.11Å; L1636-Y1640 HydrophobicContact CG-CE2 3.99Å; L1636-Y1640 VanDerWaalsContact O-CD2 3.3Å; L1636-Y1640 WeakPolarHBondContact O-CD2 3.08Å; L1636-Y1640 PolarHBondContact O-N 3.1Å |
| 1637 | L | 89.7 | Confident | 84.6 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.9 | -39.2 | 178.8 | -68.7 | 177.4 | 0 | 0 | 0 | 111.7 | L1609 L1618 I1633 W1634 Y1640 R1641 L1647 L1660 | L1609-L1637 HydrophobicContact CD2-CD2 4.28Å; L1618-L1637 HydrophobicContact CD1-CD1 3.64Å; L1618-L1637 HydrophobicContact CD1-CD2 3.63Å; L1618-L1637 HydrophobicContact CD1-CG 4.3Å; I1633-L1637 HydrophobicContact CG2-CD1 3.96Å; I1633-L1637 HydrophobicContact CG2-CG 4.22Å; I1633-L1637 VanDerWaalsContact O-CG 3.3Å; I1633-L1637 WeakPolarHBondContact O-CG 3.32Å; I1633-L1637 PolarHBondContact O-N 3.24Å; W1634-L1637 PolarHBondContact O-N 2.96Å; W1634-L1637 VanDerWaalsContact O-N 3.16Å; L1637-Y1640 PolarHBondContact O-N 3.45Å; L1637-R1641 WeakPolarHBondContact O-CB 3.48Å; L1637-R1641 PolarHBondContact O-N 3.43Å; L1637-L1647 HydrophobicContact CB-CD1 4.19Å; L1637-L1647 HydrophobicContact CD2-CD2 4.18Å; L1637-L1647 WeakPolarHBondContact O-CD1 3.28Å; L1637-L1660 HydrophobicContact CB-CD2 4.15Å; L1637-L1660 HydrophobicContact CD1-CD1 3.85Å |
| 1638 | L | 85.6 | Confident | 85.6 | Confident | 17 Ų | 17 | 37.9 Ų | 37.9 | 9% | 0.089 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64 | -41.6 | 173.9 | -70.6 | 169.8 | 0 | 0 | 0 | 112 | W1634 D1635 L1636 Y1640 R1641 R1642 L1660 | W1634-L1638 WeakPolarHBondContact O-CG 3.03Å; W1634-L1638 PolarHBondContact O-N 3Å; D1635-L1638 PolarHBondContact O-N 3.19Å; L1636-L1638 VanDerWaalsContact C-N 3.27Å; L1636-L1638 PolarHBondContact O-N 3.07Å; L1638-Y1640 PolarHBondContact O-N 3.24Å; L1638-R1641 PolarHBondContact O-N 2.66Å; L1638-R1642 WeakPolarHBondContact O-CG 3.31Å; L1638-R1642 PolarHBondContact O-N 3Å; L1638-L1660 HydrophobicContact CD1-CD2 4.44Å; L1638-L1660 HydrophobicContact CD2-CD2 4.3Å; L1638-L1660 HydrophobicContact CG-CD2 3.93Å |
| 1639 | K | 86.2 | Confident | 86.4 | Confident | 91 Ų | 91 | 36.7 Ų | 36.7 | 40% | 0.396 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -56.9 | -46.9 | 172.9 | 175.7 | -173.4 | 173.6 | -171.5 | 0 | 111.1 | D1581 D1635 L1636 R1642 Q1643 | D1581-K1639 IonicContact OD1-NZ 3.97Å; D1581-K1639 IonicContact OD2-NZ 2.95Å; D1581-K1639 PolarHBondContact OD2-NZ 3.23Å; D1635-K1639 WeakPolarHBondContact O-CB 3.19Å; D1635-K1639 PolarHBondContact O-N 3.13Å; L1636-K1639 WeakPolarHBondContact O-CB 3.39Å; L1636-K1639 PolarHBondContact O-N 3.1Å; L1636-K1639 VanDerWaalsContact O-N 3.09Å; K1639-R1642 PolarHBondContact O-N 3.4Å; K1639-Q1643 WeakPolarHBondContact O-CG 3.42Å; K1639-Q1643 PolarHBondContact O-N 3.49Å |
| 1640 | Y | 87.3 | Confident | 86.9 | Confident | 24 Ų | 24 | 36.2 Ų | 36.2 | 9% | 0.094 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -70.2 | -32.9 | 179 | -83.7 | -87.5 | 0 | 0 | 0 | 113.5 | L1609 L1636 L1637 L1638 Q1643 R1645 | L1609-Y1640 HydrophobicContact CD2-CD1 4.23Å; L1609-Y1640 HydrophobicContact CD2-CD2 4.07Å; L1609-Y1640 HydrophobicContact CD2-CE1 4.48Å; L1609-Y1640 HydrophobicContact CD2-CE2 4.37Å; L1609-Y1640 HydrophobicContact CD2-CG 3.99Å; L1636-Y1640 HydrophobicContact CD2-CD2 3.48Å; L1636-Y1640 VanDerWaalsContact CD2-CD2 3.48Å; L1636-Y1640 HydrophobicContact CD2-CE2 3.54Å; L1636-Y1640 HydrophobicContact CG-CD2 4.11Å; L1636-Y1640 HydrophobicContact CG-CE2 3.99Å; L1636-Y1640 VanDerWaalsContact O-CD2 3.3Å; L1636-Y1640 WeakPolarHBondContact O-CD2 3.08Å; L1636-Y1640 PolarHBondContact O-N 3.1Å; L1637-Y1640 PolarHBondContact O-N 3.45Å; L1638-Y1640 PolarHBondContact O-N 3.24Å; Y1640-Q1643 WeakPolarHBondContact O-CB 3.32Å; Y1640-Q1643 PolarHBondContact O-N 3.44Å; Y1640-R1645 VanDerWaalsContact CE1-CZ 3.48Å; Y1640-R1645 WeakPolarHBondContact O-CB 3.34Å; Y1640-R1645 PolarHBondContact O-N 2.86Å |
| 1641 | R | 86.5 | Confident | 87.1 | Confident | 42 Ų | 42 | 35.7 Ų | 35.7 | 16% | 0.158 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.9 | -45 | 170.6 | -176.4 | -170.1 | 169.6 | -177.5 | -10.6 | 111.3 | S1489 L1637 L1638 Q1643 G1644 L1647 L1660 S1662 | S1489-R1641 PolarHBondContact O-NE 2.99Å; L1637-R1641 WeakPolarHBondContact O-CB 3.48Å; L1637-R1641 PolarHBondContact O-N 3.43Å; L1638-R1641 PolarHBondContact O-N 2.66Å; R1641-Q1643 PolarHBondContact O-N 2.9Å; R1641-G1644 WeakPolarHBondContact O-CA 3.34Å; R1641-G1644 PolarHBondContact O-N 3.5Å; R1641-L1647 HydrophobicContact CB-CD1 3.92Å; R1641-L1660 PolarHBondContact NH1-O 3.27Å; R1641-S1662 PolarHBondContact NH2-OG 2.95Å |
| 1642 | R | 82.6 | Confident | 87 | Confident | 180 Ų | 180 | 35.3 Ų | 35.3 | 68% | 0.679 | 17% | 0.166 | S | C | * | . | H | α-helix | trans | -61.2 | -26 | 177.2 | -70.2 | 174.5 | -168.9 | 169.4 | 3.2 | 112.6 | Y820 L1638 K1639 G1644 | Y820-R1642 PolarHBondContact OH-NH2 2.93Å; L1638-R1642 WeakPolarHBondContact O-CG 3.31Å; L1638-R1642 PolarHBondContact O-N 3Å; K1639-R1642 PolarHBondContact O-N 3.4Å; R1642-G1644 PolarHBondContact O-N 3.32Å |
| 1643 | Q | 85.3 | Confident | 86.8 | Confident | 109 Ų | 109 | 33 Ų | 33 | 51% | 0.509 | 16% | 0.158 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | 3.4 | 172.1 | -66 | 171.9 | -14.3 | 0 | 0 | 113.7 | K1639 Y1640 R1641 | K1639-Q1643 WeakPolarHBondContact O-CG 3.42Å; K1639-Q1643 PolarHBondContact O-N 3.49Å; Y1640-Q1643 WeakPolarHBondContact O-CB 3.32Å; Y1640-Q1643 PolarHBondContact O-N 3.44Å; R1641-Q1643 PolarHBondContact O-N 2.9Å |
| 1644 | G | 84.9 | Confident | 86.4 | Confident | 37 Ų | 37 | 33.7 Ų | 33.7 | 38% | 0.381 | 16% | 0.161 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 96.1 | 12.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | S1489 R1641 R1642 | S1489-G1644 WeakPolarHBondContact OG-CA 3.36Å; S1489-G1644 PolarHBondContact OG-O 2.9Å; R1641-G1644 WeakPolarHBondContact O-CA 3.34Å; R1641-G1644 PolarHBondContact O-N 3.5Å; R1642-G1644 PolarHBondContact O-N 3.32Å |
| 1645 | R | 88.6 | Confident | 86 | Confident | 17 Ų | 17 | 34.4 Ų | 34.4 | 6% | 0.064 | 17% | 0.165 | C | C | . | . | trans | -86.1 | 141.9 | -179.9 | -57.3 | -166.6 | -173.1 | -178.6 | 10.9 | 112.1 | L1609 E1612 T1613 I1616 Y1640 | L1609-R1645 PolarHBondContact O-NH1 2.84Å; L1609-R1645 VanDerWaalsContact O-NH1 3.09Å; E1612-R1645 VanDerWaalsContact CA-CZ 3.44Å; E1612-R1645 VanDerWaalsContact CA-NH2 3.27Å; E1612-R1645 VanDerWaalsContact CB-NH2 3.34Å; E1612-R1645 IonicContact OE1-NH2 3.39Å; E1612-R1645 PolarHBondContact OE1-NH2 3.41Å; T1613-R1645 WeakPolarHBondContact O-CD 3.47Å; I1616-R1645 HydrophobicContact CD1-CB 4.38Å; Y1640-R1645 VanDerWaalsContact CE1-CZ 3.48Å; Y1640-R1645 WeakPolarHBondContact O-CB 3.34Å; Y1640-R1645 PolarHBondContact O-N 2.86Å | ||
| 1646 | T | 92.4 | Very high | 85.9 | Confident | 3 Ų | 3 | 29.8 Ų | 29.8 | 2% | 0.018 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.6 | 128.7 | 175.2 | -48.6 | 0 | 0 | 0 | 0 | 110.3 | S1454 I1486 P1488 S1489 P1614 L1615 I1616 | S1454-T1646 WeakPolarHBondContact CB-OG1 3.42Å; S1454-T1646 WeakPolarHBondContact OG-CG2 3.48Å; S1454-T1646 PolarHBondContact OG-OG1 3.24Å; I1486-T1646 HydrophobicContact CG2-CG2 3.71Å; P1488-T1646 WeakPolarHBondContact CA-OG1 3.19Å; S1489-T1646 PolarHBondContact N-OG1 2.86Å; P1614-T1646 PolarHBondContact O-N 2.8Å; L1615-T1646 HydrophobicContact CD1-CG2 3.95Å; I1616-T1646 PolarHBondContact N-O 3.46Å |
| 1647 | L | 93.5 | Very high | 85.8 | Confident | 2 Ų | 2 | 29.4 Ų | 29.4 | 1% | 0.01 | 14% | 0.138 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 129.3 | -179.7 | -67.1 | 168.1 | 0 | 0 | 0 | 109.9 | E1490 C1491 F1492 I1616 L1618 L1637 R1641 | E1490-L1647 PolarHBondContact O-N 2.88Å; C1491-L1647 WeakPolarHBondContact CA-O 2.97Å; C1491-L1647 HydrophobicContact CB-CB 4.06Å; C1491-L1647 HydrophobicContact CB-CD1 4.36Å; F1492-L1647 PolarHBondContact N-O 2.88Å; I1616-L1647 HydrophobicContact CB-CD2 3.97Å; I1616-L1647 HydrophobicContact CD1-CD2 4.14Å; I1616-L1647 HydrophobicContact CG2-CD2 4.2Å; L1618-L1647 HydrophobicContact CD1-CD2 4.45Å; L1637-L1647 HydrophobicContact CB-CD1 4.19Å; L1637-L1647 HydrophobicContact CD2-CD2 4.18Å; L1637-L1647 WeakPolarHBondContact O-CD1 3.28Å; R1641-L1647 HydrophobicContact CB-CD1 3.92Å |
| 1648 | V | 94.1 | Very high | 85.3 | Confident | 3 Ų | 3 | 31 Ų | 31 | 2% | 0.018 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.8 | 114.8 | 171.8 | -173.3 | 0 | 0 | 0 | 0 | 107.3 | L1455 I1486 F1492 F1506 L1615 I1616 C1617 L1618 | L1455-V1648 HydrophobicContact CD2-CG1 4.46Å; L1455-V1648 HydrophobicContact CD2-CG2 4.08Å; I1486-V1648 HydrophobicContact CD1-CB 4.45Å; I1486-V1648 HydrophobicContact CD1-CG1 4.12Å; I1486-V1648 HydrophobicContact CD1-CG2 3.49Å; I1486-V1648 VanDerWaalsContact CD1-CG2 3.49Å; F1492-V1648 HydrophobicContact CD1-CG1 4.41Å; F1506-V1648 HydrophobicContact CE2-CG1 4.37Å; F1506-V1648 HydrophobicContact CZ-CB 4.5Å; F1506-V1648 HydrophobicContact CZ-CG1 3.88Å; F1506-V1648 WeakPolarHBondContact CZ-O 3.27Å; L1615-V1648 HydrophobicContact CD1-CG2 3.84Å; I1616-V1648 PolarHBondContact O-N 3Å; C1617-V1648 CarbonylContact C-O 3.6Å; C1617-V1648 VanDerWaalsContact CA-O 3.27Å; C1617-V1648 WeakPolarHBondContact CA-O 3.43Å; L1618-V1648 PolarHBondContact N-O 3.36Å |
| 1649 | L | 92.9 | Very high | 85 | Confident | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 136.8 | -178.4 | 65.4 | 95.1 | 0 | 0 | 0 | 111.9 | F1492 G1493 L1494 L1618 L1660 | F1492-L1649 PolarHBondContact O-N 2.61Å; G1493-L1649 CarbonylContact C-O 3.59Å; G1493-L1649 WeakPolarHBondContact CA-O 3.26Å; L1494-L1649 PolarHBondContact N-O 3.43Å; L1618-L1649 HydrophobicContact CB-CB 4.08Å; L1618-L1649 CarbonylContact O-C 3.4Å; L1618-L1649 WeakPolarHBondContact O-CA 3.5Å; L1649-L1660 HydrophobicContact CD2-CB 4.13Å; L1649-L1660 HydrophobicContact CD2-CD1 3.81Å |
| 1650 | S | 90.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 27.4 Ų | 27.4 | 0% | 0 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 131.6 | 157.9 | 31.9 | 0 | 0 | 0 | 0 | 107.7 | L1494 L1618 D1619 E1620 | L1494-S1650 WeakPolarHBondContact O-CA 3.39Å; L1618-S1650 PolarHBondContact O-N 3.34Å; D1619-S1650 WeakPolarHBondContact CA-OG 3.37Å; D1619-S1650 PolarHBondContact OD1-OG 3.28Å; E1620-S1650 VanDerWaalsContact CA-O 3.26Å; E1620-S1650 WeakPolarHBondContact CA-O 3.25Å; E1620-S1650 PolarHBondContact N-O 2.97Å |
| 1651 | S | 85 | Confident | 84.8 | Confident | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 13% | 0.134 | C | C | . | . | trans | -138 | 148.5 | 171.9 | -169.2 | 0 | 0 | 0 | 0 | 109.8 | L1495 E1620 S1653 E1656 | L1495-S1651 WeakPolarHBondContact CD2-O 3.48Å; E1620-S1651 VanDerWaalsContact CD-CA 3.45Å; E1620-S1651 WeakPolarHBondContact OE1-CA 3.37Å; E1620-S1651 PolarHBondContact OE1-N 3.31Å; E1620-S1651 WeakPolarHBondContact OE2-CA 3.27Å; S1651-S1653 PolarHBondContact OG-N 3.43Å; S1651-S1653 PolarHBondContact OG-O 2.95Å; S1651-E1656 VanDerWaalsContact CB-OE2 3.24Å; S1651-E1656 WeakPolarHBondContact CB-OE2 3.31Å; S1651-E1656 PolarHBondContact OG-OE2 2.93Å | ||
| 1652 | H | 76.1 | Confident | 84.7 | Confident | 22 Ų | 22 | 26.4 Ų | 26.4 | 10% | 0.102 | 14% | 0.138 | C | C | . | . | S | Bend | trans | -95.4 | -10.3 | 162.1 | -65.3 | -80.1 | 0 | 0 | 0 | 112.3 | G1496 N1498 K1502 E1620 | G1496-H1652 PolarHBondContact O-ND1 2.8Å; N1498-H1652 PolarHBondContact OD1-CE1 3.1Å; N1498-H1652 PolarHBondContact OD1-NE2 3.36Å; K1502-H1652 PolarHBondContact NZ-CE1 3.34Å; K1502-H1652 PolarHBondContact NZ-ND1 3.12Å; E1620-H1652 VanDerWaalsContact CD-N 3.34Å; E1620-H1652 IonicContact OE1-CD2 3.19Å; E1620-H1652 PolarHBondContact OE1-CD2 3.2Å; E1620-H1652 IonicContact OE1-CG 3.83Å; E1620-H1652 PolarHBondContact OE1-N 3.22Å; E1620-H1652 IonicContact OE1-NE2 2.72Å; E1620-H1652 PolarHBondContact OE1-NE2 3.26Å; E1620-H1652 IonicContact OE2-CD2 2.98Å; E1620-H1652 PolarHBondContact OE2-CD2 3.44Å; E1620-H1652 VanDerWaalsContact OE2-CD2 3.3Å; E1620-H1652 IonicContact OE2-CG 3.11Å; E1620-H1652 PolarHBondContact OE2-N 2.85Å |
| 1653 | S | 77 | Confident | 85 | Confident | 21 Ų | 21 | 20.2 Ų | 20.2 | 15% | 0.147 | 12% | 0.115 | C | C | . | . | trans | -86.3 | 114.8 | 175.5 | 174.3 | 0 | 0 | 0 | 0 | 109.4 | S1651 E1655 E1656 C1657 | S1651-S1653 PolarHBondContact OG-N 3.43Å; S1651-S1653 PolarHBondContact OG-O 2.95Å; S1653-E1655 VanDerWaalsContact C-N 3.3Å; S1653-E1656 PolarHBondContact O-N 3.31Å; S1653-E1656 PolarHBondContact OG-N 3.4Å; S1653-C1657 PolarHBondContact O-N 3.3Å | ||
| 1654 | M | 79 | Confident | 85.2 | Confident | 15 Ų | 15 | 15 Ų | 15 | 7% | 0.074 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -63.5 | -40.1 | 174.2 | -95.6 | 49.1 | 172 | 0 | 0 | 111.2 | L1495 E1656 C1657 E1658 L1804 E1805 F1808 | L1495-M1654 HydrophobicContact CD1-CE 3.9Å; L1495-M1654 HydrophobicContact CD1-SD 4.14Å; L1495-M1654 HydrophobicContact CD2-CE 4.35Å; L1495-M1654 HydrophobicContact CD2-SD 3.83Å; M1654-E1656 VanDerWaalsContact C-N 3.3Å; M1654-E1656 PolarHBondContact O-N 2.9Å; M1654-C1657 PolarHBondContact O-N 3.42Å; M1654-E1658 VanDerWaalsContact O-CB 3.31Å; M1654-E1658 WeakPolarHBondContact O-CB 3.36Å; M1654-E1658 PolarHBondContact O-N 3.06Å; M1654-L1804 HydrophobicContact CB-CB 4.28Å; M1654-L1804 HydrophobicContact CB-CD2 4.28Å; M1654-L1804 HydrophobicContact CG-CB 3.87Å; M1654-L1804 HydrophobicContact CG-CD2 3.83Å; M1654-L1804 HydrophobicContact CG-CG 3.87Å; M1654-E1805 HydrophobicContact CB-CB 4.39Å; M1654-E1805 HydrophobicContact CG-CB 4.1Å; M1654-F1808 HydrophobicContact CE-CB 3.08Å; M1654-F1808 HydrophobicContact CE-CD1 3.48Å; M1654-F1808 VanDerWaalsContact CE-CD1 3.48Å; M1654-F1808 HydrophobicContact CE-CD2 3.48Å; M1654-F1808 VanDerWaalsContact CE-CD2 3.48Å; M1654-F1808 HydrophobicContact CE-CE1 4.15Å; M1654-F1808 HydrophobicContact CE-CE2 4.14Å; M1654-F1808 HydrophobicContact CE-CG 3.08Å; M1654-F1808 HydrophobicContact CE-CZ 4.42Å |
| 1655 | E | 76.8 | Confident | 85.4 | Confident | 33 Ų | 33 | 13.3 Ų | 13.3 | 15% | 0.154 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -59.4 | -40.9 | 176.7 | -60.1 | -172.4 | 123.4 | 0 | 0 | 112.1 | E863 R1630 W1634 S1653 E1658 A1659 | E863-E1655 VanDerWaalsContact CD-OE2 3.3Å; R1630-E1655 IonicContact NH1-OE2 3.47Å; W1634-E1655 HydrophobicContact CH2-CB 4.29Å; S1653-E1655 VanDerWaalsContact C-N 3.3Å; E1655-E1658 CarbonylContact O-C 3.6Å; E1655-E1658 PolarHBondContact O-N 3.49Å; E1655-A1659 VanDerWaalsContact O-CB 3.32Å; E1655-A1659 WeakPolarHBondContact O-CB 3.42Å; E1655-A1659 PolarHBondContact O-N 3.33Å |
| 1656 | E | 82.4 | Confident | 85.4 | Confident | 1 Ų | 1 | 12.5 Ų | 12.5 | 1% | 0.005 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.1 | -47.2 | 176.3 | 176.9 | 164.5 | -129.9 | 0 | 0 | 111.9 | P1621 T1622 W1634 S1651 S1653 M1654 E1658 A1659 L1660 | P1621-E1656 WeakPolarHBondContact CG-OE1 3.44Å; T1622-E1656 WeakPolarHBondContact CG2-OE1 3.43Å; T1622-E1656 VanDerWaalsContact OG1-CD 3.3Å; T1622-E1656 PolarHBondContact OG1-OE1 3.47Å; T1622-E1656 VanDerWaalsContact OG1-OE1 3.08Å; T1622-E1656 PolarHBondContact OG1-OE2 2.94Å; W1634-E1656 VanDerWaalsContact CZ2-CA 3.45Å; W1634-E1656 HydrophobicContact CZ2-CB 3.69Å; W1634-E1656 HydrophobicContact CZ2-CG 4.2Å; W1634-E1656 PolarHBondContact NE1-OE1 2.96Å; S1651-E1656 VanDerWaalsContact CB-OE2 3.24Å; S1651-E1656 WeakPolarHBondContact CB-OE2 3.31Å; S1651-E1656 PolarHBondContact OG-OE2 2.93Å; S1653-E1656 PolarHBondContact O-N 3.31Å; S1653-E1656 PolarHBondContact OG-N 3.4Å; M1654-E1656 VanDerWaalsContact C-N 3.3Å; M1654-E1656 PolarHBondContact O-N 2.9Å; E1656-E1658 VanDerWaalsContact C-N 3.29Å; E1656-E1658 PolarHBondContact O-N 2.93Å; E1656-A1659 PolarHBondContact O-N 2.8Å; E1656-L1660 HydrophobicContact CG-CD1 3.81Å; E1656-L1660 WeakPolarHBondContact O-CB 3.41Å; E1656-L1660 PolarHBondContact O-N 2.83Å |
| 1657 | C | 84.8 | Confident | 85 | Confident | 0 Ų | 0 | 12.5 Ų | 12.5 | 0% | 0 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -62.8 | -39.1 | 175 | -77.5 | 0 | 0 | 0 | 0 | 111.4 | L1495 S1653 M1654 A1659 C1661 V1664 | L1495-C1657 HydrophobicContact CD2-CB 4.26Å; L1495-C1657 WeakPolarHBondContact CD2-SG 3.49Å; S1653-C1657 PolarHBondContact O-N 3.3Å; M1654-C1657 PolarHBondContact O-N 3.42Å; C1657-A1659 VanDerWaalsContact C-N 3.33Å; C1657-A1659 PolarHBondContact O-N 3.11Å; C1657-C1661 WeakPolarHBondContact O-CB 3.38Å; C1657-C1661 PolarHBondContact O-N 2.78Å; C1657-V1664 HydrophobicContact CB-CG2 4.2Å |
| 1658 | E | 80.1 | Confident | 84.3 | Confident | 32 Ų | 32 | 12.9 Ų | 12.9 | 15% | 0.15 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -69.7 | -29 | 179 | -160.6 | 172.8 | 166.5 | 0 | 0 | 112.8 | R825 M1654 E1655 E1656 C1678 K1682 | R825-E1658 VanDerWaalsContact CZ-O 3.26Å; R825-E1658 PolarHBondContact NH1-O 3.16Å; R825-E1658 PolarHBondContact NH2-O 3.16Å; M1654-E1658 VanDerWaalsContact O-CB 3.31Å; M1654-E1658 WeakPolarHBondContact O-CB 3.36Å; M1654-E1658 PolarHBondContact O-N 3.06Å; E1655-E1658 CarbonylContact O-C 3.6Å; E1655-E1658 PolarHBondContact O-N 3.49Å; E1656-E1658 VanDerWaalsContact C-N 3.29Å; E1656-E1658 PolarHBondContact O-N 2.93Å; E1658-C1678 HydrophobicContact CG-CB 4.07Å; E1658-K1682 IonicContact OE1-NZ 2.88Å; E1658-K1682 PolarHBondContact OE1-NZ 3.29Å; E1658-K1682 IonicContact OE2-NZ 3.95Å; E1658-K1682 PolarHBondContact OE2-NZ 3.16Å |
| 1659 | A | 78 | Confident | 83.5 | Confident | 31 Ų | 31 | 18.1 Ų | 18.1 | 26% | 0.256 | 10% | 0.1 | S | C | . | . | H | α-helix | trans | -82.2 | -37.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | W1634 E1655 E1656 C1657 | W1634-A1659 HydrophobicContact CD2-CB 4.11Å; W1634-A1659 HydrophobicContact CE3-CB 3.6Å; W1634-A1659 HydrophobicContact CH2-CB 4.29Å; W1634-A1659 HydrophobicContact CZ3-CB 3.71Å; E1655-A1659 VanDerWaalsContact O-CB 3.32Å; E1655-A1659 WeakPolarHBondContact O-CB 3.42Å; E1655-A1659 PolarHBondContact O-N 3.33Å; E1656-A1659 PolarHBondContact O-N 2.8Å; C1657-A1659 VanDerWaalsContact C-N 3.33Å; C1657-A1659 PolarHBondContact O-N 3.11Å |
| 1660 | L | 83.7 | Confident | 82.9 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.016 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -102.6 | -44.1 | -170.3 | -67.6 | 177.5 | 0 | 0 | 0 | 114.7 | C1491 W1634 L1637 L1638 R1641 L1649 E1656 | C1491-L1660 WeakPolarHBondContact CB-O 3.17Å; C1491-L1660 PolarHBondContact SG-O 3.43Å; W1634-L1660 HydrophobicContact CB-CD2 3.78Å; W1634-L1660 HydrophobicContact CB-CG 4.37Å; W1634-L1660 HydrophobicContact CG-CD1 4.25Å; W1634-L1660 HydrophobicContact CG-CD2 4.08Å; W1634-L1660 HydrophobicContact CG-CG 4.14Å; L1637-L1660 HydrophobicContact CB-CD2 4.15Å; L1637-L1660 HydrophobicContact CD1-CD1 3.85Å; L1638-L1660 HydrophobicContact CD1-CD2 4.44Å; L1638-L1660 HydrophobicContact CD2-CD2 4.3Å; L1638-L1660 HydrophobicContact CG-CD2 3.93Å; R1641-L1660 PolarHBondContact NH1-O 3.27Å; L1649-L1660 HydrophobicContact CD2-CB 4.13Å; L1649-L1660 HydrophobicContact CD2-CD1 3.81Å; E1656-L1660 HydrophobicContact CG-CD1 3.81Å; E1656-L1660 WeakPolarHBondContact O-CB 3.41Å; E1656-L1660 PolarHBondContact O-N 2.83Å |
| 1661 | C | 86.8 | Confident | 82.6 | Confident | 11 Ų | 11 | 21.3 Ų | 21.3 | 7% | 0.074 | 11% | 0.111 | C | C | . | . | trans | -82.7 | 132.5 | -164.1 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | C1491 G1493 C1657 V1664 | C1491-C1661 WeakPolarHBondContact O-CA 3.13Å; G1493-C1661 WeakPolarHBondContact CA-SG 3.16Å; G1493-C1661 PolarHBondContact N-SG 2.73Å; C1657-C1661 WeakPolarHBondContact O-CB 3.38Å; C1657-C1661 PolarHBondContact O-N 2.78Å; C1661-V1664 HydrophobicContact CB-CG2 3.64Å | ||
| 1662 | S | 83.6 | Confident | 82.6 | Confident | 33 Ų | 33 | 21.7 Ų | 21.7 | 23% | 0.231 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -78.1 | -27.7 | 167.2 | 38.4 | 0 | 0 | 0 | 0 | 112.1 | E1490 C1491 R1641 T1677 | E1490-S1662 VanDerWaalsContact CG-OG 3.23Å; E1490-S1662 WeakPolarHBondContact CG-OG 3.02Å; C1491-S1662 PolarHBondContact N-OG 3.28Å; C1491-S1662 PolarHBondContact O-N 3.36Å; C1491-S1662 PolarHBondContact O-OG 2.78Å; R1641-S1662 PolarHBondContact NH2-OG 2.95Å; S1662-T1677 WeakPolarHBondContact O-CG2 3.43Å |
| 1663 | R | 88.3 | Confident | 83 | Confident | 51 Ų | 51 | 23.1 Ų | 23.1 | 19% | 0.192 | 12% | 0.119 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144 | 140.3 | -179.5 | -113.7 | 170.2 | 64.5 | -150.2 | 6 | 109.3 | H1437 E1490 C1491 F1492 G1493 G1676 | H1437-R1663 PolarHBondContact NE2-NH2 2.98Å; H1437-R1663 VanDerWaalsContact NE2-NH2 3.15Å; E1490-R1663 VanDerWaalsContact OE1-CB 3.29Å; E1490-R1663 WeakPolarHBondContact OE1-CB 3.47Å; E1490-R1663 IonicContact OE1-CZ 4Å; E1490-R1663 IonicContact OE1-NE 2.78Å; E1490-R1663 IonicContact OE1-NH1 3.29Å; E1490-R1663 PolarHBondContact OE1-NH1 3.27Å; E1490-R1663 IonicContact OE2-NH1 2.7Å; E1490-R1663 PolarHBondContact OE2-NH1 3Å; C1491-R1663 PolarHBondContact O-N 3.48Å; F1492-R1663 WeakPolarHBondContact CA-O 3.45Å; F1492-R1663 HydrophobicContact CD2-CB 4.09Å; F1492-R1663 HydrophobicContact CE2-CB 4.46Å; G1493-R1663 PolarHBondContact N-O 3.17Å; R1663-G1676 WeakPolarHBondContact CA-O 3.46Å |
| 1664 | V | 90.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 142.2 | -175.3 | -173 | 0 | 0 | 0 | 0 | 109.4 | G1493 L1495 C1657 C1661 L1675 G1676 | G1493-V1664 CarbonylContact O-C 3.4Å; G1493-V1664 WeakPolarHBondContact O-CA 3.44Å; L1495-V1664 HydrophobicContact CB-CG1 4.34Å; L1495-V1664 HydrophobicContact CD1-CG1 3.28Å; L1495-V1664 HydrophobicContact CG-CG1 3.54Å; C1657-V1664 HydrophobicContact CB-CG2 4.2Å; C1661-V1664 HydrophobicContact CB-CG2 3.64Å; V1664-L1675 WeakPolarHBondContact O-CA 3.2Å; V1664-G1676 PolarHBondContact N-O 2.89Å; V1664-G1676 PolarHBondContact O-N 2.85Å |
| 1665 | S | 90 | Very high | 83.9 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 138.2 | 171.1 | 176.2 | 0 | 0 | 0 | 0 | 111 | G1493 L1495 M1672 C1674 | G1493-S1665 PolarHBondContact O-N 2.81Å; L1495-S1665 PolarHBondContact N-O 2.76Å; S1665-M1672 WeakPolarHBondContact OG-CG 3.45Å; S1665-M1672 PolarHBondContact OG-SD 2.03Å; S1665-C1674 WeakPolarHBondContact CA-O 3.22Å; S1665-C1674 PolarHBondContact OG-O 2.88Å |
| 1666 | I | 87.8 | Confident | 84.3 | Confident | 1 Ų | 1 | 20.9 Ų | 20.9 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 117.9 | 172.6 | -56 | 178.3 | 0 | 0 | 0 | 108.8 | L1495 V1668 K1673 C1674 F1808 L1811 | L1495-I1666 HydrophobicContact CB-CG1 4.1Å; L1495-I1666 HydrophobicContact CD1-CG1 4.23Å; I1666-V1668 HydrophobicContact CG2-CG2 3.98Å; I1666-K1673 PolarHBondContact O-N 3.21Å; I1666-C1674 PolarHBondContact N-O 2.87Å; I1666-C1674 VanDerWaalsContact N-O 3.16Å; I1666-F1808 HydrophobicContact CD1-CB 4.41Å; I1666-F1808 HydrophobicContact CD1-CD2 4.14Å; I1666-F1808 HydrophobicContact CG1-CD2 4.41Å; I1666-F1808 HydrophobicContact CG2-CD2 3.71Å; I1666-F1808 HydrophobicContact CG2-CE2 3.94Å; I1666-L1811 HydrophobicContact CD1-CD1 3.84Å |
| 1667 | I | 85 | Confident | 84.4 | Confident | 2 Ų | 2 | 21.9 Ų | 21.9 | 1% | 0.01 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.9 | 130 | 173.1 | -65.4 | -176.8 | 0 | 0 | 0 | 109.5 | L1482 L1494 L1495 G1496 A1500 R1671 M1672 | L1482-I1667 HydrophobicContact CD1-CD1 3.94Å; L1482-I1667 HydrophobicContact CD1-CG1 4.49Å; L1482-I1667 HydrophobicContact CD2-CD1 4.43Å; L1494-I1667 HydrophobicContact CD1-CD1 3.78Å; L1494-I1667 HydrophobicContact CD1-CG1 4.45Å; L1494-I1667 HydrophobicContact CD2-CD1 3.61Å; L1494-I1667 HydrophobicContact CG-CD1 3.65Å; L1494-I1667 HydrophobicContact CG-CG1 4.31Å; L1495-I1667 PolarHBondContact O-N 3.19Å; G1496-I1667 WeakPolarHBondContact CA-O 3.5Å; A1500-I1667 HydrophobicContact CB-CG2 4.26Å; A1500-I1667 VanDerWaalsContact O-CG2 3.27Å; A1500-I1667 WeakPolarHBondContact O-CG2 3.47Å; I1667-R1671 CarbonylContact C-O 3.55Å; I1667-R1671 VanDerWaalsContact CA-O 3.28Å; I1667-R1671 WeakPolarHBondContact CA-O 3.38Å; I1667-M1672 HydrophobicContact CG1-CG 3.98Å |
| 1668 | V | 78.8 | Confident | 84.4 | Confident | 10 Ų | 10 | 21.9 Ų | 21.9 | 6% | 0.061 | 12% | 0.116 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 136 | 170.1 | 95.6 | 0 | 0 | 0 | 0 | 110 | I1666 G1670 R1671 K1673 Q1815 | I1666-V1668 HydrophobicContact CG2-CG2 3.98Å; V1668-G1670 PolarHBondContact O-N 3.36Å; V1668-G1670 VanDerWaalsContact O-N 3.11Å; V1668-R1671 PolarHBondContact N-O 2.89Å; V1668-R1671 PolarHBondContact O-N 3.45Å; V1668-R1671 VanDerWaalsContact O-O 3.13Å; V1668-K1673 HydrophobicContact CG1-CG 3.77Å; V1668-K1673 HydrophobicContact CG2-CB 4.39Å; V1668-K1673 HydrophobicContact CG2-CG 4.24Å; V1668-Q1815 VanDerWaalsContact CB-CD 3.48Å; V1668-Q1815 HydrophobicContact CB-CG 4.44Å; V1668-Q1815 VanDerWaalsContact CB-NE2 3.29Å; V1668-Q1815 HydrophobicContact CG1-CG 3.89Å |
| 1669 | N | 76.5 | Confident | 84.5 | Confident | 114 Ų | 114 | 20.5 Ų | 20.5 | 61% | 0.61 | 11% | 0.11 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 49.2 | 36.1 | -176 | -68.2 | -18 | 0 | 0 | 0 | 114.7 | R1671 Q1815 | N1669-R1671 VanDerWaalsContact C-N 3.32Å; N1669-R1671 PolarHBondContact O-N 3.37Å; N1669-Q1815 PolarHBondContact ND2-NE2 3.17Å; N1669-Q1815 VanDerWaalsContact ND2-NE2 3.1Å; N1669-Q1815 PolarHBondContact OD1-NE2 3.47Å |
| 1670 | G | 79.8 | Confident | 84.8 | Confident | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 2.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | A1478 D1480 A1500 V1668 | A1478-G1670 WeakPolarHBondContact O-CA 3.41Å; D1480-G1670 PolarHBondContact N-O 2.99Å; A1500-G1670 VanDerWaalsContact O-CA 3.3Å; A1500-G1670 WeakPolarHBondContact O-CA 3.14Å; A1500-G1670 PolarHBondContact O-N 3.15Å; A1500-G1670 VanDerWaalsContact O-N 3.11Å; V1668-G1670 PolarHBondContact O-N 3.36Å; V1668-G1670 VanDerWaalsContact O-N 3.11Å |
| 1671 | R | 83.7 | Confident | 84.8 | Confident | 67 Ų | 67 | 22 Ų | 22 | 25% | 0.253 | 11% | 0.111 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.3 | 148.6 | 176.3 | -64.1 | -172.7 | -178.7 | 178.2 | 3.2 | 111.5 | D1480 I1667 V1668 N1669 | D1480-R1671 HydrophobicContact CB-CG 4.02Å; D1480-R1671 IonicContact OD2-CZ 3.7Å; D1480-R1671 IonicContact OD2-NE 2.8Å; D1480-R1671 PolarHBondContact OD2-NE 2.9Å; D1480-R1671 IonicContact OD2-NH2 2.82Å; D1480-R1671 PolarHBondContact OD2-NH2 3.3Å; I1667-R1671 CarbonylContact C-O 3.55Å; I1667-R1671 VanDerWaalsContact CA-O 3.28Å; I1667-R1671 WeakPolarHBondContact CA-O 3.38Å; V1668-R1671 PolarHBondContact N-O 2.89Å; V1668-R1671 PolarHBondContact O-N 3.45Å; V1668-R1671 VanDerWaalsContact O-O 3.13Å; N1669-R1671 VanDerWaalsContact C-N 3.32Å; N1669-R1671 PolarHBondContact O-N 3.37Å |
| 1672 | M | 85.9 | Confident | 84.6 | Confident | 9 Ų | 9 | 22.3 Ų | 22.3 | 4% | 0.044 | 11% | 0.111 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.3 | 128.5 | 169.8 | -81.5 | -168.1 | -77.9 | 0 | 0 | 110.3 | V1434 L1482 S1483 L1484 S1665 I1667 | V1434-M1672 HydrophobicContact CG1-CB 3.87Å; L1482-M1672 HydrophobicContact CD1-CE 3.98Å; L1482-M1672 HydrophobicContact CD1-CG 3.65Å; L1482-M1672 HydrophobicContact CD1-SD 4.4Å; L1482-M1672 HydrophobicContact CG-CE 4.4Å; S1483-M1672 WeakPolarHBondContact O-CE 3.48Å; L1484-M1672 HydrophobicContact CB-CE 4.06Å; L1484-M1672 HydrophobicContact CD1-CE 4.4Å; L1484-M1672 HydrophobicContact CD1-SD 4.45Å; S1665-M1672 WeakPolarHBondContact OG-CG 3.45Å; S1665-M1672 PolarHBondContact OG-SD 2.03Å; I1667-M1672 HydrophobicContact CG1-CG 3.98Å |
| 1673 | K | 84.1 | Confident | 84.4 | Confident | 51 Ų | 51 | 23.2 Ų | 23.2 | 22% | 0.222 | 12% | 0.121 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.6 | -46.3 | 178.6 | -103.8 | -70.3 | -168 | -178.1 | 0 | 112.8 | P1428 A1429 D1431 V1434 I1666 V1668 | P1428-K1673 PolarHBondContact O-NZ 3.46Å; A1429-K1673 PolarHBondContact O-NZ 3.12Å; D1431-K1673 WeakPolarHBondContact CB-O 3.32Å; D1431-K1673 PolarHBondContact N-O 3.42Å; V1434-K1673 WeakPolarHBondContact CG2-O 3.48Å; I1666-K1673 PolarHBondContact O-N 3.21Å; V1668-K1673 HydrophobicContact CG1-CG 3.77Å; V1668-K1673 HydrophobicContact CG2-CB 4.39Å; V1668-K1673 HydrophobicContact CG2-CG 4.24Å |
| 1674 | C | 86.3 | Confident | 84 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.007 | 13% | 0.13 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.8 | 159 | 177.3 | 52.7 | 0 | 0 | 0 | 0 | 111 | D1431 V1434 S1665 I1666 L1681 F1685 | D1431-C1674 HydrophobicContact CB-CB 4.35Å; V1434-C1674 VanDerWaalsContact CG2-CA 3.46Å; S1665-C1674 WeakPolarHBondContact CA-O 3.22Å; S1665-C1674 PolarHBondContact OG-O 2.88Å; I1666-C1674 PolarHBondContact N-O 2.87Å; I1666-C1674 VanDerWaalsContact N-O 3.16Å; C1674-L1681 HydrophobicContact CB-CD2 4.04Å; C1674-F1685 HydrophobicContact CB-CE2 3.84Å; C1674-F1685 HydrophobicContact CB-CZ 3.99Å |
| 1675 | L | 89 | Confident | 83.6 | Confident | 11 Ų | 11 | 27.8 Ų | 27.8 | 6% | 0.058 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 129.4 | -175.3 | 174.2 | 72.5 | 0 | 0 | 0 | 109 | V1434 H1437 F1492 V1664 | V1434-L1675 HydrophobicContact CG2-CB 3.82Å; H1437-L1675 HydrophobicContact CB-CD2 3.64Å; H1437-L1675 WeakPolarHBondContact CD2-CD2 3.31Å; F1492-L1675 HydrophobicContact CE2-CD1 3.71Å; F1492-L1675 HydrophobicContact CZ-CD1 4.13Å; V1664-L1675 WeakPolarHBondContact O-CA 3.2Å |
| 1676 | G | 86.3 | Confident | 82.8 | Confident | 11 Ų | 11 | 28.5 Ų | 28.5 | 11% | 0.113 | 15% | 0.146 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 170 | -172.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1663 V1664 | R1663-G1676 WeakPolarHBondContact CA-O 3.46Å; V1664-G1676 PolarHBondContact N-O 2.89Å; V1664-G1676 PolarHBondContact O-N 2.85Å |
| 1677 | T | 84.6 | Confident | 82.1 | Confident | 21 Ų | 21 | 32.8 Ų | 32.8 | 13% | 0.129 | 17% | 0.166 | C | C | . | . | trans | -74.2 | 158.2 | 168.3 | 65 | 0 | 0 | 0 | 0 | 110.2 | S1662 Q1679 H1680 L1681 | S1662-T1677 WeakPolarHBondContact O-CG2 3.43Å; T1677-Q1679 VanDerWaalsContact C-N 3.34Å; T1677-Q1679 PolarHBondContact O-N 3.13Å; T1677-H1680 PolarHBondContact O-N 3.09Å; T1677-H1680 WeakPolarHBondContact OG1-CB 3.12Å; T1677-H1680 PolarHBondContact OG1-N 3.16Å; T1677-L1681 WeakPolarHBondContact O-CG 3.48Å; T1677-L1681 PolarHBondContact O-N 3.45Å | ||
| 1678 | C | 83 | Confident | 81.9 | Confident | 1 Ų | 1 | 32.9 Ų | 32.9 | 1% | 0.007 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.9 | -44 | -177.1 | -68.8 | 0 | 0 | 0 | 0 | 112.3 | E1658 L1681 K1682 | E1658-C1678 HydrophobicContact CG-CB 4.07Å; C1678-L1681 PolarHBondContact O-N 2.92Å; C1678-K1682 WeakPolarHBondContact O-CG 3.43Å; C1678-K1682 PolarHBondContact O-N 2.87Å |
| 1679 | Q | 83 | Confident | 82.2 | Confident | 3 Ų | 3 | 34.2 Ų | 34.2 | 1% | 0.014 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -74.1 | -28.9 | -179.8 | -173.5 | 62.2 | 22 | 0 | 0 | 112.9 | V793 F855 T1677 K1682 A1683 Q1801 | V793-Q1679 HydrophobicContact CG2-CB 3.38Å; V793-Q1679 HydrophobicContact CG2-CG 3.45Å; V793-Q1679 VanDerWaalsContact CG2-CG 3.45Å; F855-Q1679 PolarHBondContact O-NE2 3.43Å; T1677-Q1679 VanDerWaalsContact C-N 3.34Å; T1677-Q1679 PolarHBondContact O-N 3.13Å; Q1679-K1682 PolarHBondContact O-N 2.8Å; Q1679-A1683 WeakPolarHBondContact O-CB 3.36Å; Q1679-A1683 PolarHBondContact O-N 3.06Å; Q1679-Q1801 VanDerWaalsContact NE2-OE1 3.16Å |
| 1680 | H | 83.5 | Confident | 82.6 | Confident | 64 Ų | 64 | 29.6 Ų | 29.6 | 30% | 0.296 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -62.2 | -45 | 169.5 | 176.3 | 73 | 0 | 0 | 0 | 111.2 | D1433 T1677 K1682 A1683 R1684 | D1433-H1680 IonicContact OD2-CD2 3.15Å; D1433-H1680 IonicContact OD2-CE1 3.72Å; D1433-H1680 IonicContact OD2-NE2 2.81Å; D1433-H1680 PolarHBondContact OD2-NE2 3.33Å; T1677-H1680 PolarHBondContact O-N 3.09Å; T1677-H1680 WeakPolarHBondContact OG1-CB 3.12Å; T1677-H1680 PolarHBondContact OG1-N 3.16Å; H1680-K1682 PolarHBondContact O-N 3.37Å; H1680-A1683 PolarHBondContact O-N 3.31Å; H1680-R1684 VanDerWaalsContact O-CB 3.23Å; H1680-R1684 WeakPolarHBondContact O-CB 3.32Å; H1680-R1684 PolarHBondContact O-N 3.32Å |
| 1681 | L | 83.5 | Confident | 82.9 | Confident | 1 Ų | 1 | 29.6 Ų | 29.6 | 1% | 0.005 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.9 | -40.8 | 176.1 | -65.5 | 174.4 | 0 | 0 | 0 | 111.7 | C1674 T1677 C1678 R1684 F1685 L1804 | C1674-L1681 HydrophobicContact CB-CD2 4.04Å; T1677-L1681 WeakPolarHBondContact O-CG 3.48Å; T1677-L1681 PolarHBondContact O-N 3.45Å; C1678-L1681 PolarHBondContact O-N 2.92Å; L1681-R1684 PolarHBondContact O-N 3.49Å; L1681-F1685 HydrophobicContact CD2-CD2 3.99Å; L1681-F1685 HydrophobicContact CD2-CE2 3.73Å; L1681-F1685 PolarHBondContact O-N 3.46Å; L1681-L1804 HydrophobicContact CB-CD1 4.11Å; L1681-L1804 HydrophobicContact CD1-CD1 4.39Å |
| 1682 | K | 83.5 | Confident | 82.9 | Confident | 17 Ų | 17 | 28 Ų | 28 | 7% | 0.074 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.3 | -44.4 | 175.1 | -73.6 | 178.2 | -178.8 | -178.5 | 0 | 113.3 | E1658 C1678 Q1679 H1680 R1684 G1686 L1804 I1807 | E1658-K1682 IonicContact OE1-NZ 2.88Å; E1658-K1682 PolarHBondContact OE1-NZ 3.29Å; E1658-K1682 IonicContact OE2-NZ 3.95Å; E1658-K1682 PolarHBondContact OE2-NZ 3.16Å; C1678-K1682 WeakPolarHBondContact O-CG 3.43Å; C1678-K1682 PolarHBondContact O-N 2.87Å; Q1679-K1682 PolarHBondContact O-N 2.8Å; H1680-K1682 PolarHBondContact O-N 3.37Å; K1682-R1684 VanDerWaalsContact C-N 3.35Å; K1682-G1686 VanDerWaalsContact O-CA 3.27Å; K1682-G1686 WeakPolarHBondContact O-CA 3.46Å; K1682-G1686 PolarHBondContact O-N 2.92Å; K1682-L1804 HydrophobicContact CG-CD1 4.44Å; K1682-I1807 VanDerWaalsContact CA-CD1 3.47Å; K1682-I1807 HydrophobicContact CB-CD1 4.25Å; K1682-I1807 HydrophobicContact CG-CD1 4.04Å |
| 1683 | A | 79.5 | Confident | 82.9 | Confident | 53 Ų | 53 | 27.6 Ų | 27.6 | 44% | 0.438 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -69.8 | -33.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1679 H1680 | Q1679-A1683 WeakPolarHBondContact O-CB 3.36Å; Q1679-A1683 PolarHBondContact O-N 3.06Å; H1680-A1683 PolarHBondContact O-N 3.31Å |
| 1684 | R | 80 | Confident | 82.8 | Confident | 100 Ų | 100 | 26.1 Ų | 26.1 | 38% | 0.377 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -84.1 | -38.1 | -175 | -173.6 | 171 | -173 | 164.5 | 1.8 | 114 | D1431 D1433 H1680 L1681 K1682 | D1431-R1684 IonicContact OD1-CZ 2.6Å; D1431-R1684 IonicContact OD1-NE 3.39Å; D1431-R1684 IonicContact OD1-NH1 3.12Å; D1431-R1684 PolarHBondContact OD1-NH1 3.23Å; D1431-R1684 IonicContact OD1-NH2 2.68Å; D1431-R1684 PolarHBondContact OD1-NH2 2.95Å; D1431-R1684 IonicContact OD2-CZ 3.68Å; D1431-R1684 IonicContact OD2-NE 2.66Å; D1431-R1684 IonicContact OD2-NH1 2.8Å; D1433-R1684 IonicContact OD1-CZ 2.77Å; D1433-R1684 IonicContact OD1-NH1 2.61Å; D1433-R1684 PolarHBondContact OD1-NH1 3.37Å; D1433-R1684 IonicContact OD2-NH1 2.7Å; D1433-R1684 PolarHBondContact OD2-NH1 3.06Å; H1680-R1684 VanDerWaalsContact O-CB 3.23Å; H1680-R1684 WeakPolarHBondContact O-CB 3.32Å; H1680-R1684 PolarHBondContact O-N 3.32Å; L1681-R1684 PolarHBondContact O-N 3.49Å; K1682-R1684 VanDerWaalsContact C-N 3.35Å |
| 1685 | F | 81.4 | Confident | 82.6 | Confident | 47 Ų | 47 | 26.4 Ų | 26.4 | 21% | 0.206 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -115.5 | -3.8 | -173.9 | -61.1 | -74.3 | 0 | 0 | 0 | 113.7 | C1674 L1681 I1807 L1811 | C1674-F1685 HydrophobicContact CB-CE2 3.84Å; C1674-F1685 HydrophobicContact CB-CZ 3.99Å; L1681-F1685 HydrophobicContact CD2-CD2 3.99Å; L1681-F1685 HydrophobicContact CD2-CE2 3.73Å; L1681-F1685 PolarHBondContact O-N 3.46Å; F1685-I1807 HydrophobicContact CB-CD1 4.46Å; F1685-I1807 HydrophobicContact CB-CG1 4.4Å; F1685-I1807 HydrophobicContact CB-CG2 3.5Å; F1685-I1807 VanDerWaalsContact CB-CG2 3.5Å; F1685-I1807 HydrophobicContact CG-CG2 4.29Å; F1685-L1811 HydrophobicContact CD1-CD2 4.36Å; F1685-L1811 HydrophobicContact CE1-CD2 4.4Å |
| 1686 | G | 73.7 | Confident | 81.8 | Confident | 14 Ų | 14 | 33.6 Ų | 33.6 | 14% | 0.144 | 17% | 0.165 | C | C | . | . | trans | -80.7 | 126.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | K1682 G1688 T1802 | K1682-G1686 VanDerWaalsContact O-CA 3.27Å; K1682-G1686 WeakPolarHBondContact O-CA 3.46Å; K1682-G1686 PolarHBondContact O-N 2.92Å; G1686-G1688 PolarHBondContact O-N 2.9Å; G1686-T1802 WeakPolarHBondContact CA-OG1 3.42Å | ||
| 1687 | H | 73.6 | Confident | 80.7 | Confident | 92 Ų | 92 | 37.7 Ų | 37.7 | 43% | 0.426 | 18% | 0.183 | S | C | . | . | trans | -96.8 | 51.3 | -178.7 | -63.1 | -53.8 | 0 | 0 | 0 | 113.2 | H1767 D1771 | H1687-H1767 PolarHBondContact O-CE1 2.82Å; H1687-H1767 PolarHBondContact O-NE2 3.35Å; H1687-D1771 IonicContact CE1-OD2 3.03Å; H1687-D1771 IonicContact CG-OD2 3.57Å; H1687-D1771 IonicContact ND1-OD2 3.54Å; H1687-D1771 PolarHBondContact ND1-OD2 2.95Å | ||
| 1688 | G | 80.8 | Confident | 79.4 | Confident | 3 Ų | 3 | 39.6 Ų | 39.6 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | 107 | -158.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | G1686 L1768 T1770 T1802 | G1686-G1688 PolarHBondContact O-N 2.9Å; G1688-L1768 CarbonylContact C-O 3.44Å; G1688-L1768 VanDerWaalsContact CA-O 3.31Å; G1688-L1768 WeakPolarHBondContact CA-O 3.36Å; G1688-T1770 WeakPolarHBondContact CA-OG1 3.27Å; G1688-T1770 PolarHBondContact N-OG1 2.76Å; G1688-T1802 PolarHBondContact O-N 3.07Å; G1688-T1802 PolarHBondContact O-OG1 3.4Å | ||
| 1689 | Y | 85 | Confident | 77.8 | Confident | 38 Ų | 38 | 46.3 Ų | 46.3 | 15% | 0.149 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 158.5 | -170.3 | -57.6 | -70.9 | 0 | 0 | 0 | 112.6 | H1767 L1768 T1770 L1778 I1781 S1800 Q1801 | Y1689-H1767 WeakPolarHBondContact O-CA 3.5Å; Y1689-H1767 PolarHBondContact O-ND1 3.18Å; Y1689-L1768 PolarHBondContact N-O 3.04Å; Y1689-L1768 PolarHBondContact O-N 3.26Å; Y1689-T1770 HydrophobicContact CD2-CG2 4.24Å; Y1689-T1770 HydrophobicContact CE2-CG2 3.91Å; Y1689-L1778 HydrophobicContact CD1-CD1 3.72Å; Y1689-L1778 HydrophobicContact CE1-CD1 3.36Å; Y1689-L1778 HydrophobicContact CE2-CD1 4.22Å; Y1689-L1778 HydrophobicContact CG-CD1 4.31Å; Y1689-I1781 HydrophobicContact CD2-CD1 3.82Å; Y1689-I1781 HydrophobicContact CE2-CD1 4.39Å; Y1689-I1781 HydrophobicContact CG-CD1 4.36Å; Y1689-S1800 CarbonylContact C-O 3.52Å; Y1689-S1800 WeakPolarHBondContact CA-O 3.33Å; Y1689-Q1801 HydrophobicContact CD1-CB 4.35Å; Y1689-Q1801 HydrophobicContact CE1-CB 4.45Å; Y1689-Q1801 HydrophobicContact CE1-CG 4.47Å |
| 1690 | S | 84 | Confident | 76 | Confident | 18 Ų | 18 | 50.7 Ų | 50.7 | 13% | 0.126 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 128.9 | 171.8 | -173.2 | 0 | 0 | 0 | 0 | 109.8 | Q1765 Y1766 I1799 S1800 | S1690-Q1765 PolarHBondContact OG-NE2 3.25Å; S1690-Y1766 CarbonylContact C-O 3.41Å; S1690-Y1766 WeakPolarHBondContact CA-O 3.49Å; S1690-Y1766 PolarHBondContact OG-O 2.86Å; S1690-I1799 CarbonylContact O-C 3.56Å; S1690-I1799 WeakPolarHBondContact O-CA 3.32Å; S1690-S1800 PolarHBondContact N-O 3.35Å; S1690-S1800 PolarHBondContact O-N 3.48Å |
| 1691 | L | 87 | Confident | 73.6 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 114.8 | -178.9 | 172.6 | 70 | 0 | 0 | 0 | 109.1 | V1693 I1747 Y1766 L1768 M1785 Y1797 S1798 I1799 | L1691-V1693 HydrophobicContact CD1-CG2 4.19Å; L1691-V1693 HydrophobicContact CD2-CG2 4.18Å; L1691-V1693 HydrophobicContact CG-CG2 3.86Å; L1691-I1747 HydrophobicContact CD2-CD1 4.15Å; L1691-Y1766 PolarHBondContact N-O 2.91Å; L1691-Y1766 PolarHBondContact O-N 3.42Å; L1691-L1768 HydrophobicContact CB-CD1 3.94Å; L1691-L1768 HydrophobicContact CD2-CD1 4.42Å; L1691-M1785 HydrophobicContact CD1-CE 4.22Å; L1691-M1785 HydrophobicContact CD1-CG 4.17Å; L1691-M1785 HydrophobicContact CD1-SD 4.41Å; L1691-M1785 HydrophobicContact CD2-CE 4.43Å; L1691-M1785 HydrophobicContact CD2-SD 4.09Å; L1691-Y1797 HydrophobicContact CD1-CD2 4.29Å; L1691-S1798 WeakPolarHBondContact CA-O 3.36Å; L1691-I1799 HydrophobicContact CD1-CD1 4.46Å; L1691-I1799 HydrophobicContact CD1-CG1 3.66Å |
| 1692 | N | 83.7 | Confident | 71.3 | Confident | 33 Ų | 33 | 61.5 Ų | 61.5 | 18% | 0.176 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.4 | 133.4 | 173.9 | -63.7 | -12.8 | 0 | 0 | 0 | 109.6 | L1764 Q1765 Y1797 S1798 | N1692-L1764 CarbonylContact C-O 3.46Å; N1692-L1764 WeakPolarHBondContact CA-O 3.26Å; N1692-Q1765 VanDerWaalsContact OD1-CD 3.32Å; N1692-Q1765 WeakPolarHBondContact OD1-CG 3.3Å; N1692-Q1765 PolarHBondContact OD1-NE2 3.49Å; N1692-Y1797 CarbonylContact O-C 3.57Å; N1692-Y1797 VanDerWaalsContact O-CA 3.23Å; N1692-Y1797 WeakPolarHBondContact O-CA 3.47Å; N1692-S1798 PolarHBondContact N-O 2.84Å; N1692-S1798 PolarHBondContact O-N 2.96Å |
| 1693 | V | 85.3 | Confident | 69 | Low | 0 Ų | 0 | 67.8 Ų | 67.8 | 0% | 0 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.3 | 133.3 | -174.8 | -175.6 | 0 | 0 | 0 | 0 | 109.8 | L1691 V1743 I1747 V1763 L1764 M1785 L1794 | L1691-V1693 HydrophobicContact CD1-CG2 4.19Å; L1691-V1693 HydrophobicContact CD2-CG2 4.18Å; L1691-V1693 HydrophobicContact CG-CG2 3.86Å; V1693-V1743 HydrophobicContact CG1-CG1 3.99Å; V1693-I1747 HydrophobicContact CG2-CD1 4.05Å; V1693-V1763 CarbonylContact O-C 3.49Å; V1693-V1763 WeakPolarHBondContact O-CA 3.18Å; V1693-L1764 HydrophobicContact CB-CB 4.43Å; V1693-L1764 PolarHBondContact N-O 3.33Å; V1693-L1764 PolarHBondContact O-N 3.27Å; V1693-M1785 HydrophobicContact CG2-CE 3.95Å; V1693-L1794 HydrophobicContact CG1-CD1 3.83Å; V1693-L1794 HydrophobicContact CG1-CD2 3.32Å; V1693-L1794 HydrophobicContact CG1-CG 4.12Å |
| 1694 | Q | 81.8 | Confident | 66.6 | Low | 21 Ų | 21 | 73.7 Ų | 73.7 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 124.7 | 175.4 | -170.4 | 171.7 | 13.5 | 0 | 0 | 110.2 | L778 V1763 L1795 N1796 | L778-Q1694 HydrophobicContact CD1-CB 4.2Å; Q1694-V1763 HydrophobicContact CG-CG2 4.09Å; Q1694-L1795 HydrophobicContact CG-CB 4.37Å; Q1694-L1795 PolarHBondContact O-N 3.29Å; Q1694-N1796 PolarHBondContact N-O 2.72Å |
| 1695 | V | 81.6 | Confident | 64.2 | Low | 6 Ų | 6 | 73.6 Ų | 73.6 | 4% | 0.036 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 138.8 | -178.1 | -170.2 | 0 | 0 | 0 | 0 | 109.8 | I1697 A1739 V1740 V1743 G1762 L1764 L1794 | V1695-I1697 PolarHBondContact O-N 3.49Å; V1695-A1739 HydrophobicContact CG1-CB 3.89Å; V1695-V1740 HydrophobicContact CG2-CG2 4.25Å; V1695-V1743 HydrophobicContact CG2-CB 4.39Å; V1695-V1743 HydrophobicContact CG2-CG2 3.96Å; V1695-G1762 WeakPolarHBondContact CG2-O 3.24Å; V1695-G1762 PolarHBondContact N-O 3.06Å; V1695-L1764 HydrophobicContact CG2-CD1 4.36Å; V1695-L1794 HydrophobicContact CG2-CD2 4.42Å |
| 1696 | R | 72.6 | Confident | 61.7 | Low | 162 Ų | 162 | 76.6 Ų | 76.6 | 61% | 0.611 | 40% | 0.403 | S | S | * | . | P | Polyproline II helix | trans | -72.4 | 124.6 | 174.7 | -178.4 | 177.7 | -82.3 | 170.1 | -6.1 | 109.8 | P1698 G1793 L1795 | R1696-P1698 WeakPolarHBondContact O-CD 3.22Å; R1696-G1793 WeakPolarHBondContact CB-O 3.32Å; R1696-G1793 PolarHBondContact N-O 3.32Å; R1696-L1795 HydrophobicContact CB-CB 4.34Å; R1696-L1795 HydrophobicContact CB-CD1 4.17Å; R1696-L1795 HydrophobicContact CG-CD1 4.24Å |
| 1697 | I | 64.6 | Low | 59.6 | Low | 97 Ų | 97 | 84.2 Ų | 84.2 | 50% | 0.497 | 44% | 0.44 | S | S | . | . | P | Polyproline II helix | trans | -75.4 | 120.5 | 174 | -48.7 | -176.4 | 0 | 0 | 0 | 107.9 | V1695 M1699 L1736 | V1695-I1697 PolarHBondContact O-N 3.49Å; I1697-M1699 PolarHBondContact O-N 3.47Å; I1697-L1736 HydrophobicContact CB-CD1 4.32Å; I1697-L1736 HydrophobicContact CD1-CD1 4.09Å; I1697-L1736 HydrophobicContact CG1-CD1 3.67Å; I1697-L1736 HydrophobicContact CG2-CD1 4.14Å |
| 1698 | P | 56.6 | Low | 57.4 | Low | 62 Ų | 62 | 87.1 Ų | 87.1 | 40% | 0.403 | 46% | 0.459 | S | S | . | . | trans | -69.4 | 114.7 | 175.9 | 11.8 | -6.4 | 0 | 0 | 0 | 109.5 | R1696 V1700 | R1696-P1698 WeakPolarHBondContact O-CD 3.22Å; P1698-V1700 PolarHBondContact O-N 3.44Å | ||
| 1699 | M | 48.5 | Very low | 55 | Low | 141 Ų | 141 | 93.9 Ų | 93.9 | 70% | 0.695 | 50% | 0.499 | S | S | * | . | trans | -72.8 | 118.4 | 169.1 | -69.2 | -167.4 | -176.2 | 0 | 0 | 108.7 | I1697 N1701 | I1697-M1699 PolarHBondContact O-N 3.47Å; M1699-N1701 PolarHBondContact O-N 3.15Å | ||
| 1700 | V | 44.9 | Very low | 52.2 | Low | 95 Ų | 95 | 100.6 Ų | 100.6 | 58% | 0.576 | 53% | 0.532 | S | S | * | . | trans | -81.6 | 104.8 | 164.6 | -179.6 | 0 | 0 | 0 | 0 | 106.4 | P1698 H1702 | P1698-V1700 PolarHBondContact O-N 3.44Å; V1700-H1702 PolarHBondContact O-N 3.03Å | ||
| 1701 | N | 34.9 | Very low | 49.7 | Very low | 115 Ų | 115 | 104.8 Ų | 104.8 | 62% | 0.615 | 56% | 0.559 | S | S | * | * | trans | -63.6 | 106.1 | 170.3 | -79.5 | -1.8 | 0 | 0 | 0 | 108.5 | M1699 H1703 | M1699-N1701 PolarHBondContact O-N 3.15Å; N1701-H1703 PolarHBondContact O-N 2.79Å | ||
| 1702 | H | 35.2 | Very low | 46.8 | Very low | 177 Ų | 177 | 111.3 Ų | 111.3 | 82% | 0.819 | 60% | 0.599 | S | S | * | * | trans | -70.5 | 83 | 155.9 | -96.4 | -70 | 0 | 0 | 0 | 107.8 | V1700 L1704 | V1700-H1702 PolarHBondContact O-N 3.03Å; H1702-L1704 PolarHBondContact O-N 3.38Å | ||
| 1703 | H | 33.6 | Very low | 44.2 | Very low | 149 Ų | 149 | 116.6 Ų | 116.6 | 69% | 0.69 | 63% | 0.632 | S | S | * | * | trans | -68.2 | 114.2 | 161.2 | -88.5 | -69.9 | 0 | 0 | 0 | 108.5 | N1701 S1705 | N1701-H1703 PolarHBondContact O-N 2.79Å; H1703-S1705 PolarHBondContact O-N 3.02Å | ||
| 1704 | L | 30.2 | Very low | 41.4 | Very low | 178 Ų | 178 | 122.2 Ų | 122.2 | 93% | 0.932 | 67% | 0.672 | S | S | * | * | trans | -60.9 | 112.8 | 159.3 | -128.1 | 91.3 | 0 | 0 | 0 | 108.2 | H1702 | H1702-L1704 PolarHBondContact O-N 3.38Š| ||
| 1705 | S | 29.1 | Very low | 38.7 | Very low | 98 Ų | 98 | 125.9 Ų | 125.9 | 69% | 0.685 | 70% | 0.699 | S | S | * | * | trans | -156.8 | 98.7 | 157.8 | 58.5 | 0 | 0 | 0 | 0 | 110.6 | H1703 | H1703-S1705 PolarHBondContact O-N 3.02Š| ||
| 1706 | S | 28.4 | Very low | 36.1 | Very low | 109 Ų | 109 | 131.7 Ų | 131.7 | 76% | 0.762 | 74% | 0.735 | S | S | * | * | trans | 27.8 | 122.6 | 144.2 | 60.3 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 1707 | L | 31.1 | Very low | 33.8 | Very low | 175 Ų | 175 | 128.9 Ų | 128.9 | 92% | 0.916 | 74% | 0.741 | S | S | * | * | -167.4 | 126.7 | 121.5 | -102 | 150.4 | 0 | 0 | 0 | 111.5 | |||||
| 1708 | N | 26.6 | Very low | 31.9 | Very low | 153 Ų | 153 | 129.6 Ų | 129.6 | 82% | 0.818 | 75% | 0.754 | S | S | * | * | trans | -68.4 | 139.6 | 179.2 | -67.1 | -34.8 | 0 | 0 | 0 | 112.8 | ||||
| 1709 | T | 29.4 | Very low | 30.6 | Very low | 144 Ų | 144 | 132.2 Ų | 132.2 | 88% | 0.883 | 77% | 0.774 | S | S | * | * | trans | -165.5 | 116.6 | 134.9 | 17.6 | 0 | 0 | 0 | 0 | 111 | ||||
| 1710 | E | 26.9 | Very low | 29.6 | Very low | 180 Ų | 180 | 137 Ų | 137 | 84% | 0.841 | 79% | 0.786 | S | S | * | * | trans | -59.5 | 158.6 | 160.5 | -90.8 | -173.9 | -177.1 | 0 | 0 | 111.4 | ||||
| 1711 | P | 31.2 | Very low | 28.9 | Very low | 106 Ų | 106 | 138.5 Ų | 138.5 | 69% | 0.688 | 80% | 0.795 | S | S | * | * | -159.5 | 158.9 | 66.2 | 43.1 | -20.6 | 0 | 0 | 0 | 120.6 | |||||
| 1712 | T | 25.9 | Very low | 28.5 | Very low | 136 Ų | 136 | 138.5 Ų | 138.5 | 83% | 0.834 | 80% | 0.801 | S | S | * | * | trans | 56.8 | 140 | 138.3 | 57 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 1713 | V | 28.8 | Very low | 28.2 | Very low | 144 Ų | 144 | 135.2 Ų | 135.2 | 87% | 0.873 | 80% | 0.798 | S | S | * | * | trans | -79.6 | 142.4 | -175.3 | 173.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1714 | S | 26.7 | Very low | 27.8 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 80% | 0.801 | S | S | * | * | trans | -160 | 138.9 | 137.1 | 62.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 1715 | S | 25.5 | Very low | 27.9 | Very low | 97 Ų | 97 | 131.4 Ų | 131.4 | 68% | 0.678 | 79% | 0.792 | S | S | * | * | trans | -70.6 | 152 | -171.9 | 49.7 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1716 | T | 27.8 | Very low | 27.8 | Very low | 129 Ų | 129 | 133.8 Ų | 133.8 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 165.3 | 129 | 107 | 34.8 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 1717 | S | 24.7 | Very low | 28 | Very low | 103 Ų | 103 | 130.8 Ų | 130.8 | 72% | 0.72 | 78% | 0.775 | S | S | * | * | trans | 53.1 | 116.1 | 143.3 | 64 | 0 | 0 | 0 | 0 | 125 | ||||
| 1718 | S | 24.4 | Very low | 28.2 | Very low | 111 Ų | 111 | 128.3 Ų | 128.3 | 78% | 0.776 | 77% | 0.769 | S | S | * | * | 68.4 | 110 | 125.9 | 71 | 0 | 0 | 0 | 0 | 122.2 | |||||
| 1719 | S | 29.6 | Very low | 29 | Very low | 118 Ų | 118 | 126.1 Ų | 126.1 | 83% | 0.825 | 75% | 0.754 | S | S | * | * | -170.2 | 138.6 | 122.8 | 41.9 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1720 | Y | 26.9 | Very low | 29.7 | Very low | 241 Ų | 241 | 124.2 Ų | 124.2 | 95% | 0.945 | 74% | 0.742 | S | S | * | * | trans | -73.6 | 118.9 | -179.1 | -92.8 | -106.4 | 0 | 0 | 0 | 111.7 | ||||
| 1721 | V | 29.8 | Very low | 30.6 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 76% | 0.764 | 73% | 0.731 | S | S | * | * | trans | -146.8 | 139.2 | 161.8 | 177.2 | 0 | 0 | 0 | 0 | 106.4 | S1723 | V1721-S1723 PolarHBondContact O-N 2.98Š| ||
| 1722 | P | 27.5 | Very low | 31.4 | Very low | 116 Ų | 116 | 119.2 Ų | 119.2 | 75% | 0.753 | 72% | 0.717 | S | S | * | * | trans | -63.2 | 129.3 | -171.5 | 26.3 | -35 | 0 | 0 | 0 | 111 | V1724 | P1722-V1724 PolarHBondContact O-N 2.78Š| ||
| 1723 | S | 27.9 | Very low | 32.8 | Very low | 108 Ų | 108 | 119.2 Ų | 119.2 | 76% | 0.755 | 71% | 0.708 | S | S | * | * | trans | -61.4 | 105 | 175.5 | 36.3 | 0 | 0 | 0 | 0 | 110.5 | V1721 V1725 | V1721-S1723 PolarHBondContact O-N 2.98Å; S1723-V1725 PolarHBondContact O-N 3.34Å; S1723-V1725 VanDerWaalsContact O-N 3.09Å | ||
| 1724 | V | 25.9 | Very low | 34.1 | Very low | 122 Ų | 122 | 117.4 Ų | 117.4 | 74% | 0.739 | 69% | 0.693 | S | S | * | * | trans | -58.4 | 106.9 | 151.8 | 175.7 | 0 | 0 | 0 | 0 | 106.3 | P1722 I1726 | P1722-V1724 PolarHBondContact O-N 2.78Å; V1724-I1726 HydrophobicContact CG1-CG1 3.83Å; V1724-I1726 PolarHBondContact O-N 2.9Å | ||
| 1725 | V | 31 | Very low | 35.9 | Very low | 125 Ų | 125 | 113.5 Ų | 113.5 | 76% | 0.758 | 67% | 0.666 | S | S | * | * | trans | -66.6 | 92.8 | 163.2 | 177 | 0 | 0 | 0 | 0 | 105.9 | S1723 S1727 | S1723-V1725 PolarHBondContact O-N 3.34Å; S1723-V1725 VanDerWaalsContact O-N 3.09Å; V1725-S1727 VanDerWaalsContact C-N 3.31Å; V1725-S1727 PolarHBondContact O-N 3.45Å | ||
| 1726 | I | 27.9 | Very low | 37.9 | Very low | 147 Ų | 147 | 110.5 Ų | 110.5 | 75% | 0.754 | 64% | 0.642 | S | S | * | * | trans | -69 | 99.8 | 163.6 | -61.6 | 177.5 | 0 | 0 | 0 | 105.2 | V1724 | V1724-I1726 HydrophobicContact CG1-CG1 3.83Å; V1724-I1726 PolarHBondContact O-N 2.9Å | ||
| 1727 | S | 31.7 | Very low | 40 | Very low | 47 Ų | 47 | 107.8 Ų | 107.8 | 33% | 0.329 | 62% | 0.622 | S | S | . | * | trans | -61.8 | 146.5 | 172.2 | 49.4 | 0 | 0 | 0 | 0 | 110.5 | V1725 H1729 | V1725-S1727 VanDerWaalsContact C-N 3.31Å; V1725-S1727 PolarHBondContact O-N 3.45Å; S1727-H1729 VanDerWaalsContact CB-CD2 3.45Å; S1727-H1729 WeakPolarHBondContact CB-CD2 3.45Å; S1727-H1729 PolarHBondContact O-N 2.82Å | ||
| 1728 | P | 37 | Very low | 42.3 | Very low | 123 Ų | 123 | 107.3 Ų | 107.3 | 80% | 0.799 | 61% | 0.611 | S | S | * | * | S | Bend | trans | -74.3 | 28.7 | 171.3 | 32.9 | -33.2 | 0 | 0 | 0 | 112.1 | V1730 | P1728-V1730 PolarHBondContact O-N 3.31Š|
| 1729 | H | 42.5 | Very low | 44.7 | Very low | 106 Ų | 106 | 103.1 Ų | 103.1 | 49% | 0.491 | 58% | 0.583 | S | S | . | * | trans | -86.2 | -0.5 | -166.9 | -85.3 | -43.4 | 0 | 0 | 0 | 115.9 | G555 S1727 | G555-H1729 PolarHBondContact O-CE1 2.89Å; G555-H1729 VanDerWaalsContact O-CE1 3.25Å; S1727-H1729 VanDerWaalsContact CB-CD2 3.45Å; S1727-H1729 WeakPolarHBondContact CB-CD2 3.45Å; S1727-H1729 PolarHBondContact O-N 2.82Å | ||
| 1730 | V | 43.4 | Very low | 47.1 | Very low | 105 Ų | 105 | 97.7 Ų | 97.7 | 64% | 0.636 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -86.2 | -33.5 | -165.8 | -171.8 | 0 | 0 | 0 | 0 | 116.3 | P1728 | P1728-V1730 PolarHBondContact O-N 3.31Å |
| 1731 | P | 46.8 | Very low | 49.7 | Very low | 95 Ų | 95 | 89.2 Ų | 89.2 | 62% | 0.617 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -78.5 | -25.1 | -172.6 | 26.6 | -30 | 0 | 0 | 0 | 114.8 | ||
| 1732 | H | 47.5 | Very low | 52.3 | Low | 85 Ų | 85 | 88.5 Ų | 88.5 | 39% | 0.394 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -81 | -37.2 | -177.2 | -78.4 | -70 | 0 | 0 | 0 | 114.1 | S1735 L1736 | H1732-S1735 PolarHBondContact O-OG 2.8Å; H1732-S1735 VanDerWaalsContact O-OG 3.08Å; H1732-L1736 PolarHBondContact O-N 3.41Å |
| 1733 | Q | 54.8 | Low | 55 | Low | 136 Ų | 136 | 83 Ų | 83 | 64% | 0.636 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.4 | -38.6 | 177.6 | -95.4 | 179.4 | -13.5 | 0 | 0 | 112.2 | S1735 L1736 I1737 | Q1733-S1735 PolarHBondContact O-N 3.22Å; Q1733-L1736 PolarHBondContact O-N 3.09Å; Q1733-I1737 HydrophobicContact CB-CD1 4.48Å; Q1733-I1737 WeakPolarHBondContact O-CB 3.15Å; Q1733-I1737 WeakPolarHBondContact O-CD1 3.01Å; Q1733-I1737 WeakPolarHBondContact O-CG1 3.45Å; Q1733-I1737 PolarHBondContact O-N 2.97Å |
| 1734 | L | 57.5 | Low | 57.8 | Low | 107 Ų | 107 | 78.7 Ų | 78.7 | 56% | 0.56 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.5 | -38.9 | -176.2 | -149.5 | 85.3 | 0 | 0 | 0 | 112.7 | I1737 N1738 | L1734-I1737 PolarHBondContact O-N 3.04Å; L1734-N1738 PolarHBondContact O-N 3.12Å |
| 1735 | S | 63.1 | Low | 60.6 | Low | 37 Ų | 37 | 76 Ų | 76 | 26% | 0.259 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 178 | 61.2 | 0 | 0 | 0 | 0 | 112.5 | H1732 Q1733 A1739 | H1732-S1735 PolarHBondContact O-OG 2.8Å; H1732-S1735 VanDerWaalsContact O-OG 3.08Å; Q1733-S1735 PolarHBondContact O-N 3.22Å; S1735-A1739 WeakPolarHBondContact O-CB 3.37Å; S1735-A1739 PolarHBondContact O-N 3.35Å; S1735-A1739 VanDerWaalsContact O-N 3.09Å |
| 1736 | L | 67.9 | Low | 63.3 | Low | 33 Ų | 33 | 70.4 Ų | 70.4 | 17% | 0.173 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -65 | -45.2 | 172.9 | -170.5 | 82.3 | 0 | 0 | 0 | 111.3 | I1697 H1732 Q1733 N1738 A1739 V1740 | I1697-L1736 HydrophobicContact CB-CD1 4.32Å; I1697-L1736 HydrophobicContact CD1-CD1 4.09Å; I1697-L1736 HydrophobicContact CG1-CD1 3.67Å; I1697-L1736 HydrophobicContact CG2-CD1 4.14Å; H1732-L1736 PolarHBondContact O-N 3.41Å; Q1733-L1736 PolarHBondContact O-N 3.09Å; L1736-N1738 PolarHBondContact O-N 3.08Å; L1736-A1739 PolarHBondContact O-N 2.83Å; L1736-V1740 HydrophobicContact CG-CG2 4.43Å; L1736-V1740 WeakPolarHBondContact O-CB 3.4Å; L1736-V1740 WeakPolarHBondContact O-CG2 3.32Å; L1736-V1740 PolarHBondContact O-N 3.07Å |
| 1737 | I | 72.8 | Confident | 66.1 | Low | 73 Ų | 73 | 63.4 Ų | 63.4 | 37% | 0.374 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -58.5 | -48.6 | 179 | -70.1 | 162.7 | 0 | 0 | 0 | 110.3 | Q1733 L1734 A1739 V1740 D1741 | Q1733-I1737 HydrophobicContact CB-CD1 4.48Å; Q1733-I1737 WeakPolarHBondContact O-CB 3.15Å; Q1733-I1737 WeakPolarHBondContact O-CD1 3.01Å; Q1733-I1737 WeakPolarHBondContact O-CG1 3.45Å; Q1733-I1737 PolarHBondContact O-N 2.97Å; L1734-I1737 PolarHBondContact O-N 3.04Å; I1737-A1739 PolarHBondContact O-N 3.27Å; I1737-V1740 PolarHBondContact O-N 2.73Å; I1737-D1741 WeakPolarHBondContact CG2-OD2 3.09Å; I1737-D1741 WeakPolarHBondContact O-CB 3.4Å; I1737-D1741 VanDerWaalsContact O-CG 3.31Å; I1737-D1741 PolarHBondContact O-N 2.89Å |
| 1738 | N | 72.9 | Confident | 68.6 | Low | 92 Ų | 92 | 66.2 Ų | 66.2 | 49% | 0.492 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 178.5 | -72.8 | -15.5 | 0 | 0 | 0 | 112.8 | L1734 L1736 V1740 D1741 N1742 | L1734-N1738 PolarHBondContact O-N 3.12Å; L1736-N1738 PolarHBondContact O-N 3.08Å; N1738-V1740 VanDerWaalsContact C-N 3.34Å; N1738-D1741 PolarHBondContact O-N 2.82Å; N1738-N1742 PolarHBondContact O-N 3.25Å |
| 1739 | A | 74.2 | Confident | 70.9 | Confident | 24 Ų | 24 | 68 Ų | 68 | 20% | 0.198 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | V1695 S1735 L1736 I1737 V1743 | V1695-A1739 HydrophobicContact CG1-CB 3.89Å; S1735-A1739 WeakPolarHBondContact O-CB 3.37Å; S1735-A1739 PolarHBondContact O-N 3.35Å; S1735-A1739 VanDerWaalsContact O-N 3.09Å; L1736-A1739 PolarHBondContact O-N 2.83Å; I1737-A1739 PolarHBondContact O-N 3.27Å; A1739-V1743 PolarHBondContact O-N 2.96Å |
| 1740 | V | 80.5 | Confident | 73 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 2% | 0.024 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -68.5 | -42.1 | 177.1 | 173.9 | 0 | 0 | 0 | 0 | 111.6 | V1695 L1736 I1737 N1738 N1742 V1743 D1744 R1759 L1764 | V1695-V1740 HydrophobicContact CG2-CG2 4.25Å; L1736-V1740 HydrophobicContact CG-CG2 4.43Å; L1736-V1740 WeakPolarHBondContact O-CB 3.4Å; L1736-V1740 WeakPolarHBondContact O-CG2 3.32Å; L1736-V1740 PolarHBondContact O-N 3.07Å; I1737-V1740 PolarHBondContact O-N 2.73Å; N1738-V1740 VanDerWaalsContact C-N 3.34Å; V1740-N1742 VanDerWaalsContact C-N 3.34Å; V1740-N1742 PolarHBondContact O-N 3.47Å; V1740-V1743 PolarHBondContact O-N 3.17Å; V1740-D1744 PolarHBondContact O-N 2.95Å; V1740-R1759 HydrophobicContact CG1-CG 4.29Å; V1740-L1764 HydrophobicContact CG1-CD1 4.04Å; V1740-L1764 HydrophobicContact CG1-CD2 3.79Å; V1740-L1764 HydrophobicContact CG1-CG 4.09Å |
| 1741 | D | 82.3 | Confident | 74.9 | Confident | 62 Ų | 62 | 61.8 Ų | 61.8 | 33% | 0.332 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -67.2 | -33.2 | 179 | -70.8 | -20 | 0 | 0 | 0 | 112.5 | I1737 N1738 V1743 D1744 S1745 R1759 | I1737-D1741 WeakPolarHBondContact CG2-OD2 3.09Å; I1737-D1741 WeakPolarHBondContact O-CB 3.4Å; I1737-D1741 VanDerWaalsContact O-CG 3.31Å; I1737-D1741 PolarHBondContact O-N 2.89Å; N1738-D1741 PolarHBondContact O-N 2.82Å; D1741-V1743 VanDerWaalsContact C-N 3.32Å; D1741-V1743 PolarHBondContact O-N 3.42Å; D1741-D1744 PolarHBondContact O-N 3.26Å; D1741-S1745 WeakPolarHBondContact O-CB 3.48Å; D1741-S1745 PolarHBondContact O-N 3.36Å; D1741-S1745 PolarHBondContact O-OG 3.06Å; D1741-R1759 IonicContact OD1-CZ 3.6Å; D1741-R1759 IonicContact OD1-NH1 3.46Å; D1741-R1759 PolarHBondContact OD1-NH1 3.44Å; D1741-R1759 IonicContact OD1-NH2 2.84Å; D1741-R1759 PolarHBondContact OD1-NH2 2.87Å; D1741-R1759 IonicContact OD2-NH2 2.65Å |
| 1742 | N | 84.2 | Confident | 76.5 | Confident | 111 Ų | 111 | 62.4 Ų | 62.4 | 59% | 0.594 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -62.2 | -37.7 | 171.8 | -82.1 | -15.7 | 0 | 0 | 0 | 112.5 | N1738 V1740 S1745 F1746 | N1738-N1742 PolarHBondContact O-N 3.25Å; V1740-N1742 VanDerWaalsContact C-N 3.34Å; V1740-N1742 PolarHBondContact O-N 3.47Å; N1742-S1745 WeakPolarHBondContact CA-OG 3.4Å; N1742-S1745 PolarHBondContact O-OG 2.93Å; N1742-F1746 PolarHBondContact O-N 3.49Å |
| 1743 | V | 84.4 | Confident | 78.2 | Confident | 1 Ų | 1 | 62.4 Ų | 62.4 | 1% | 0.006 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -74 | -41.7 | 176.8 | 176.5 | 0 | 0 | 0 | 0 | 111 | V1693 V1695 A1739 V1740 D1741 S1745 F1746 I1747 L1764 L1792 L1794 | V1693-V1743 HydrophobicContact CG1-CG1 3.99Å; V1695-V1743 HydrophobicContact CG2-CB 4.39Å; V1695-V1743 HydrophobicContact CG2-CG2 3.96Å; A1739-V1743 PolarHBondContact O-N 2.96Å; V1740-V1743 PolarHBondContact O-N 3.17Å; D1741-V1743 VanDerWaalsContact C-N 3.32Å; D1741-V1743 PolarHBondContact O-N 3.42Å; V1743-S1745 PolarHBondContact O-N 2.99Å; V1743-F1746 PolarHBondContact O-N 3.27Å; V1743-I1747 HydrophobicContact CG1-CD1 4.03Å; V1743-I1747 PolarHBondContact O-N 3.11Å; V1743-L1764 HydrophobicContact CB-CD1 3.93Å; V1743-L1764 HydrophobicContact CG1-CD1 3.66Å; V1743-L1792 HydrophobicContact CG2-CB 4.43Å; V1743-L1794 HydrophobicContact CG1-CD2 4.1Å; V1743-L1794 HydrophobicContact CG2-CD2 3.77Å |
| 1744 | D | 84.9 | Confident | 79.5 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 9% | 0.091 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64 | -41.4 | 178.9 | -175.7 | 50.5 | 0 | 0 | 0 | 112.6 | V1740 D1741 F1746 I1747 K1748 Y1766 | V1740-D1744 PolarHBondContact O-N 2.95Å; D1741-D1744 PolarHBondContact O-N 3.26Å; D1744-F1746 PolarHBondContact O-N 2.93Å; D1744-I1747 PolarHBondContact O-N 3.33Å; D1744-K1748 WeakPolarHBondContact O-CG 3.35Å; D1744-K1748 PolarHBondContact O-N 2.88Å; D1744-K1748 WeakPolarHBondContact OD1-CE 3.37Å; D1744-K1748 IonicContact OD1-NZ 2.69Å; D1744-K1748 PolarHBondContact OD1-NZ 2.72Å; D1744-K1748 WeakPolarHBondContact OD2-CE 3.29Å; D1744-K1748 IonicContact OD2-NZ 3.29Å; D1744-K1748 PolarHBondContact OD2-NZ 2.9Å; D1744-Y1766 WeakPolarHBondContact CA-OH 3.46Å; D1744-Y1766 WeakPolarHBondContact CB-OH 3.37Å; D1744-Y1766 VanDerWaalsContact CG-OH 3.31Å; D1744-Y1766 WeakPolarHBondContact OD1-CE1 3.42Å; D1744-Y1766 PolarHBondContact OD1-OH 3Å |
| 1745 | S | 85 | Confident | 80.9 | Confident | 66 Ų | 66 | 60.4 Ų | 60.4 | 46% | 0.462 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64.9 | -37 | 174.8 | 54.7 | 0 | 0 | 0 | 0 | 112.8 | D1741 N1742 V1743 R1749 | D1741-S1745 WeakPolarHBondContact O-CB 3.48Å; D1741-S1745 PolarHBondContact O-N 3.36Å; D1741-S1745 PolarHBondContact O-OG 3.06Å; N1742-S1745 WeakPolarHBondContact CA-OG 3.4Å; N1742-S1745 PolarHBondContact O-OG 2.93Å; V1743-S1745 PolarHBondContact O-N 2.99Å; S1745-R1749 WeakPolarHBondContact O-CB 3.32Å; S1745-R1749 PolarHBondContact O-N 2.79Å |
| 1746 | F | 88.7 | Confident | 81.9 | Confident | 8 Ų | 8 | 61.6 Ų | 61.6 | 4% | 0.035 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 173.4 | 174 | -98.6 | 0 | 0 | 0 | 111.8 | N1742 V1743 D1744 R1749 E1750 L1784 N1788 R1791 L1792 | N1742-F1746 PolarHBondContact O-N 3.49Å; V1743-F1746 PolarHBondContact O-N 3.27Å; D1744-F1746 PolarHBondContact O-N 2.93Å; F1746-R1749 PolarHBondContact O-N 2.8Å; F1746-E1750 HydrophobicContact CD2-CG 4.19Å; F1746-E1750 HydrophobicContact CE1-CG 4.25Å; F1746-E1750 HydrophobicContact CE2-CG 3.71Å; F1746-E1750 HydrophobicContact CZ-CG 3.76Å; F1746-E1750 PolarHBondContact O-N 3.1Å; F1746-E1750 VanDerWaalsContact O-N 3.14Å; F1746-L1784 HydrophobicContact CE1-CD2 4.29Å; F1746-L1784 HydrophobicContact CZ-CD2 4.1Å; F1746-L1784 HydrophobicContact CZ-CG 4.49Å; F1746-N1788 HydrophobicContact CZ-CB 4.06Å; F1746-R1791 VanDerWaalsContact CE2-NH2 3.29Å; F1746-L1792 HydrophobicContact CB-CD2 3.85Å; F1746-L1792 HydrophobicContact CD1-CD1 3.39Å; F1746-L1792 HydrophobicContact CD1-CD2 4.17Å; F1746-L1792 HydrophobicContact CD1-CG 4.41Å; F1746-L1792 HydrophobicContact CD2-CD1 4.45Å; F1746-L1792 HydrophobicContact CD2-CD2 4.26Å; F1746-L1792 HydrophobicContact CE1-CD1 3.52Å; F1746-L1792 HydrophobicContact CG-CD1 3.89Å; F1746-L1792 HydrophobicContact CG-CD2 3.82Å; F1746-L1792 HydrophobicContact CG-CG 4.48Å; F1746-L1792 HydrophobicContact CZ-CD1 4.11Å |
| 1747 | I | 86.4 | Confident | 82.4 | Confident | 0 Ų | 0 | 64.3 Ų | 64.3 | 0% | 0 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -65.9 | -43.9 | -176.6 | -69.6 | 173.9 | 0 | 0 | 0 | 111.5 | L1691 V1693 V1743 D1744 R1749 E1750 F1751 A1754 Y1766 | L1691-I1747 HydrophobicContact CD2-CD1 4.15Å; V1693-I1747 HydrophobicContact CG2-CD1 4.05Å; V1743-I1747 HydrophobicContact CG1-CD1 4.03Å; V1743-I1747 PolarHBondContact O-N 3.11Å; D1744-I1747 PolarHBondContact O-N 3.33Å; I1747-R1749 PolarHBondContact O-N 2.94Å; I1747-E1750 PolarHBondContact O-N 2.93Å; I1747-F1751 HydrophobicContact CG2-CD2 4.48Å; I1747-F1751 PolarHBondContact O-N 2.75Å; I1747-A1754 HydrophobicContact CG2-CB 4.24Å; I1747-Y1766 HydrophobicContact CB-CE1 4.23Å; I1747-Y1766 HydrophobicContact CB-CE2 4.31Å; I1747-Y1766 HydrophobicContact CD1-CD2 3.62Å; I1747-Y1766 HydrophobicContact CD1-CE2 3.22Å; I1747-Y1766 HydrophobicContact CD1-CG 4.46Å; I1747-Y1766 HydrophobicContact CG1-CE2 4.32Å; I1747-Y1766 HydrophobicContact CG2-CD1 3.68Å; I1747-Y1766 HydrophobicContact CG2-CD2 4.09Å; I1747-Y1766 HydrophobicContact CG2-CE1 3.71Å; I1747-Y1766 HydrophobicContact CG2-CE2 4.12Å; I1747-Y1766 HydrophobicContact CG2-CG 3.88Å |
| 1748 | K | 84.7 | Confident | 82.5 | Confident | 105 Ų | 105 | 63.3 Ų | 63.3 | 46% | 0.457 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.6 | -26.4 | 176.6 | -74.9 | 173.5 | 177.1 | 162 | 0 | 113.3 | D1744 | D1744-K1748 WeakPolarHBondContact O-CG 3.35Å; D1744-K1748 PolarHBondContact O-N 2.88Å; D1744-K1748 WeakPolarHBondContact OD1-CE 3.37Å; D1744-K1748 IonicContact OD1-NZ 2.69Å; D1744-K1748 PolarHBondContact OD1-NZ 2.72Å; D1744-K1748 WeakPolarHBondContact OD2-CE 3.29Å; D1744-K1748 IonicContact OD2-NZ 3.29Å; D1744-K1748 PolarHBondContact OD2-NZ 2.9Å |
| 1749 | R | 85.2 | Confident | 82.9 | Confident | 160 Ų | 160 | 63.6 Ų | 63.6 | 60% | 0.604 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -76.6 | -46.8 | 177.7 | -171.3 | -175.1 | 72.2 | -168.9 | 2.6 | 112.2 | S1745 F1746 I1747 | S1745-R1749 WeakPolarHBondContact O-CB 3.32Å; S1745-R1749 PolarHBondContact O-N 2.79Å; F1746-R1749 PolarHBondContact O-N 2.8Å; I1747-R1749 PolarHBondContact O-N 2.94Å |
| 1750 | E | 85.1 | Confident | 82.9 | Confident | 73 Ų | 73 | 63.8 Ų | 63.8 | 34% | 0.341 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -78.3 | -32 | -177.8 | -57.5 | -62.1 | 148.9 | 0 | 0 | 111.9 | F1746 I1747 L1784 | F1746-E1750 HydrophobicContact CD2-CG 4.19Å; F1746-E1750 HydrophobicContact CE1-CG 4.25Å; F1746-E1750 HydrophobicContact CE2-CG 3.71Å; F1746-E1750 HydrophobicContact CZ-CG 3.76Å; F1746-E1750 PolarHBondContact O-N 3.1Å; F1746-E1750 VanDerWaalsContact O-N 3.14Å; I1747-E1750 PolarHBondContact O-N 2.93Å; E1750-L1784 HydrophobicContact CB-CD2 3.91Å; E1750-L1784 HydrophobicContact CG-CD2 4.04Å |
| 1751 | F | 84.9 | Confident | 82.4 | Confident | 8 Ų | 8 | 67.3 Ų | 67.3 | 4% | 0.035 | 33% | 0.331 | C | S | . | . | trans | -124.7 | 88 | 178 | -56.4 | -70.3 | 0 | 0 | 0 | 110.4 | I1747 D1753 A1754 L1768 I1776 I1781 L1784 | I1747-F1751 HydrophobicContact CG2-CD2 4.48Å; I1747-F1751 PolarHBondContact O-N 2.75Å; F1751-D1753 VanDerWaalsContact C-N 3.26Å; F1751-D1753 PolarHBondContact O-N 2.92Å; F1751-A1754 HydrophobicContact CB-CB 3.77Å; F1751-A1754 WeakPolarHBondContact O-CB 3.3Å; F1751-A1754 PolarHBondContact O-N 2.95Å; F1751-A1754 VanDerWaalsContact O-N 3.08Å; F1751-L1768 HydrophobicContact CB-CD2 3.69Å; F1751-L1768 HydrophobicContact CD1-CD2 4.14Å; F1751-L1768 HydrophobicContact CD2-CD2 4Å; F1751-L1768 HydrophobicContact CG-CD2 3.68Å; F1751-I1776 HydrophobicContact CD1-CD1 4.1Å; F1751-I1776 HydrophobicContact CE1-CG2 4.07Å; F1751-I1781 HydrophobicContact CE1-CG1 4.23Å; F1751-I1781 HydrophobicContact CZ-CG1 4.15Å; F1751-I1781 HydrophobicContact CZ-CG2 4.33Å; F1751-L1784 HydrophobicContact CE2-CD2 3.7Å; F1751-L1784 HydrophobicContact CZ-CD2 3.82Å | ||
| 1752 | P | 79.7 | Confident | 81.9 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 70% | 0.701 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -32.3 | -175.1 | -11.1 | 18.6 | 0 | 0 | 0 | 113.3 | A1754 | P1752-A1754 VanDerWaalsContact C-N 3.29Å; P1752-A1754 PolarHBondContact O-N 3.15Å |
| 1753 | D | 82.6 | Confident | 81.6 | Confident | 86 Ų | 86 | 61.7 Ų | 61.7 | 46% | 0.46 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.1 | 2.2 | -179.3 | -62.8 | -33.5 | 0 | 0 | 0 | 112.8 | F1751 R1755 P1769 | F1751-D1753 VanDerWaalsContact C-N 3.26Å; F1751-D1753 PolarHBondContact O-N 2.92Å; D1753-R1755 PolarHBondContact O-N 2.91Å; D1753-P1769 HydrophobicContact CB-CG 3.93Å; D1753-P1769 VanDerWaalsContact O-CD 3.22Å; D1753-P1769 WeakPolarHBondContact O-CD 3.46Å; D1753-P1769 VanDerWaalsContact O-CG 3.31Å; D1753-P1769 WeakPolarHBondContact O-CG 3.29Å |
| 1754 | A | 83.4 | Confident | 81.6 | Confident | 13 Ų | 13 | 61.7 Ų | 61.7 | 11% | 0.107 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -67.4 | 128.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.6 | I1747 F1751 P1752 Y1766 L1768 | I1747-A1754 HydrophobicContact CG2-CB 4.24Å; F1751-A1754 HydrophobicContact CB-CB 3.77Å; F1751-A1754 WeakPolarHBondContact O-CB 3.3Å; F1751-A1754 PolarHBondContact O-N 2.95Å; F1751-A1754 VanDerWaalsContact O-N 3.08Å; P1752-A1754 VanDerWaalsContact C-N 3.29Å; P1752-A1754 PolarHBondContact O-N 3.15Å; A1754-Y1766 HydrophobicContact CB-CD1 4.38Å; A1754-L1768 HydrophobicContact CB-CD2 3.65Å |
| 1755 | R | 85.2 | Confident | 81.7 | Confident | 187 Ų | 187 | 63 Ų | 63 | 71% | 0.706 | 31% | 0.309 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 120.9 | 174.6 | -68.3 | -175.5 | 179.5 | 177.1 | 0.6 | 110.1 | D1753 V1757 Y1766 H1767 | D1753-R1755 PolarHBondContact O-N 2.91Å; R1755-V1757 PolarHBondContact O-N 3.24Å; R1755-Y1766 CarbonylContact O-C 3.46Å; R1755-Y1766 WeakPolarHBondContact O-CA 3.32Å; R1755-H1767 PolarHBondContact N-O 2.76Å; R1755-H1767 PolarHBondContact O-N 2.85Å |
| 1756 | L | 85.1 | Confident | 81.8 | Confident | 63 Ų | 63 | 59.9 Ų | 59.9 | 33% | 0.33 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -69.5 | 121 | 168.6 | -177.3 | 70.9 | 0 | 0 | 0 | 108.7 | R1759 L1764 Y1766 | L1756-R1759 HydrophobicContact CD2-CB 4.32Å; L1756-L1764 HydrophobicContact CD1-CB 4.49Å; L1756-L1764 HydrophobicContact CD1-CD2 3.87Å; L1756-Y1766 HydrophobicContact CB-CD1 4.1Å; L1756-Y1766 HydrophobicContact CB-CE1 3.86Å; L1756-Y1766 HydrophobicContact CD1-CD1 4.04Å; L1756-Y1766 HydrophobicContact CD1-CD2 4.38Å; L1756-Y1766 HydrophobicContact CD1-CE1 3.55Å; L1756-Y1766 HydrophobicContact CD1-CE2 3.93Å; L1756-Y1766 HydrophobicContact CD1-CG 4.42Å; L1756-Y1766 VanDerWaalsContact CD1-CZ 3.47Å; L1756-Y1766 HydrophobicContact CG-CE1 4.27Å |
| 1757 | V | 78.7 | Confident | 81.7 | Confident | 89 Ų | 89 | 61.9 Ų | 61.9 | 54% | 0.539 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | -45.6 | -178.3 | -176.9 | 0 | 0 | 0 | 0 | 110.8 | R1755 Q1765 H1767 | R1755-V1757 PolarHBondContact O-N 3.24Å; V1757-Q1765 HydrophobicContact CB-CG 4.11Å; V1757-Q1765 PolarHBondContact N-O 3.34Å; V1757-H1767 HydrophobicContact CG2-CB 3.8Å |
| 1758 | D | 74.9 | Confident | 81.7 | Confident | 53 Ų | 53 | 62 Ų | 62 | 28% | 0.283 | 30% | 0.297 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -145.9 | 150 | 178.7 | -168.4 | 21 | 0 | 0 | 0 | 112 | R741 Q1765 | R741-D1758 IonicContact NH2-OD1 3.74Å; R741-D1758 IonicContact NH2-OD2 3.13Å; D1758-Q1765 HydrophobicContact CB-CB 4.39Å; D1758-Q1765 PolarHBondContact N-O 2.97Å; D1758-Q1765 PolarHBondContact O-N 2.86Å |
| 1759 | R | 80.3 | Confident | 81.6 | Confident | 98 Ų | 98 | 58.5 Ų | 58.5 | 37% | 0.37 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 112.5 | 176.9 | 174.7 | -179.1 | 176.1 | 164.4 | 6.2 | 109.4 | V1740 D1741 L1756 L1764 | V1740-R1759 HydrophobicContact CG1-CG 4.29Å; D1741-R1759 IonicContact OD1-CZ 3.6Å; D1741-R1759 IonicContact OD1-NH1 3.46Å; D1741-R1759 PolarHBondContact OD1-NH1 3.44Å; D1741-R1759 IonicContact OD1-NH2 2.84Å; D1741-R1759 PolarHBondContact OD1-NH2 2.87Å; D1741-R1759 IonicContact OD2-NH2 2.65Å; L1756-R1759 HydrophobicContact CD2-CB 4.32Å; R1759-L1764 HydrophobicContact CB-CD2 4.02Å; R1759-L1764 HydrophobicContact CG-CD2 3.81Å |
| 1760 | H | 74.7 | Confident | 81 | Confident | 28 Ų | 28 | 52.7 Ų | 52.7 | 13% | 0.13 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.2 | 133.1 | 177.3 | -163.3 | 67.5 | 0 | 0 | 0 | 113.5 | R741 D761 G1762 V1763 | R741-H1760 PolarHBondContact NH1-CD2 2.98Å; R741-H1760 VanDerWaalsContact NH1-CG 3.33Å; R741-H1760 VanDerWaalsContact NH2-CG 3.32Å; R741-H1760 PolarHBondContact NH2-ND1 2.9Å; D761-H1760 IonicContact OD1-CD2 3.16Å; D761-H1760 PolarHBondContact OD1-CD2 3.02Å; D761-H1760 VanDerWaalsContact OD1-CD2 3.31Å; D761-H1760 IonicContact OD1-NE2 3.31Å; H1760-G1762 PolarHBondContact O-N 3.21Å; H1760-V1763 PolarHBondContact N-O 2.9Å; H1760-V1763 PolarHBondContact O-N 3.39Å |
| 1761 | Q | 69.1 | Low | 80.1 | Confident | 78 Ų | 78 | 54.9 Ų | 54.9 | 36% | 0.364 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 41.7 | 40.3 | 174.6 | -66.5 | -172 | 4.4 | 0 | 0 | 115.7 | ||
| 1762 | G | 72.1 | Confident | 78.6 | Confident | 5 Ų | 5 | 55.8 Ų | 55.8 | 5% | 0.052 | 29% | 0.293 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 89.2 | 1.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1695 H1760 | V1695-G1762 WeakPolarHBondContact CG2-O 3.24Å; V1695-G1762 PolarHBondContact N-O 3.06Å; H1760-G1762 PolarHBondContact O-N 3.21Å |
| 1763 | V | 78 | Confident | 77.1 | Confident | 50 Ų | 50 | 62.6 Ų | 62.6 | 30% | 0.303 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 133.8 | 169.9 | -175 | 0 | 0 | 0 | 0 | 109.6 | L778 V1693 Q1694 H1760 | L778-V1763 HydrophobicContact CD1-CG1 4.12Å; V1693-V1763 CarbonylContact O-C 3.49Å; V1693-V1763 WeakPolarHBondContact O-CA 3.18Å; Q1694-V1763 HydrophobicContact CG-CG2 4.09Å; H1760-V1763 PolarHBondContact N-O 2.9Å; H1760-V1763 PolarHBondContact O-N 3.39Å |
| 1764 | L | 85.9 | Confident | 75.8 | Confident | 0 Ų | 0 | 64.7 Ų | 64.7 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 131 | 178.9 | -67.8 | 160.4 | 0 | 0 | 0 | 109.6 | N1692 V1693 V1695 V1740 V1743 L1756 R1759 Y1766 | N1692-L1764 CarbonylContact C-O 3.46Å; N1692-L1764 WeakPolarHBondContact CA-O 3.26Å; V1693-L1764 HydrophobicContact CB-CB 4.43Å; V1693-L1764 PolarHBondContact N-O 3.33Å; V1693-L1764 PolarHBondContact O-N 3.27Å; V1695-L1764 HydrophobicContact CG2-CD1 4.36Å; V1740-L1764 HydrophobicContact CG1-CD1 4.04Å; V1740-L1764 HydrophobicContact CG1-CD2 3.79Å; V1740-L1764 HydrophobicContact CG1-CG 4.09Å; V1743-L1764 HydrophobicContact CB-CD1 3.93Å; V1743-L1764 HydrophobicContact CG1-CD1 3.66Å; L1756-L1764 HydrophobicContact CD1-CB 4.49Å; L1756-L1764 HydrophobicContact CD1-CD2 3.87Å; R1759-L1764 HydrophobicContact CB-CD2 4.02Å; R1759-L1764 HydrophobicContact CG-CD2 3.81Å; L1764-Y1766 HydrophobicContact CB-CD2 4.43Å; L1764-Y1766 HydrophobicContact CB-CE2 3.69Å; L1764-Y1766 HydrophobicContact CD1-CE2 4.39Å; L1764-Y1766 HydrophobicContact CG-CE2 4.48Å |
| 1765 | Q | 85.2 | Confident | 74.9 | Confident | 45 Ų | 45 | 72.7 Ų | 72.7 | 21% | 0.21 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.2 | 124.5 | 175.6 | 176.7 | 164.5 | 32.3 | 0 | 0 | 110.7 | S1690 N1692 V1757 D1758 | S1690-Q1765 PolarHBondContact OG-NE2 3.25Å; N1692-Q1765 VanDerWaalsContact OD1-CD 3.32Å; N1692-Q1765 WeakPolarHBondContact OD1-CG 3.3Å; N1692-Q1765 PolarHBondContact OD1-NE2 3.49Å; V1757-Q1765 HydrophobicContact CB-CG 4.11Å; V1757-Q1765 PolarHBondContact N-O 3.34Å; D1758-Q1765 HydrophobicContact CB-CB 4.39Å; D1758-Q1765 PolarHBondContact N-O 2.97Å; D1758-Q1765 PolarHBondContact O-N 2.86Å |
| 1766 | Y | 88 | Confident | 74.4 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.8 | 148.4 | 177.3 | -64.1 | -92.1 | 0 | 0 | 0 | 111.8 | S1690 L1691 D1744 I1747 A1754 R1755 L1756 L1764 | S1690-Y1766 CarbonylContact C-O 3.41Å; S1690-Y1766 WeakPolarHBondContact CA-O 3.49Å; S1690-Y1766 PolarHBondContact OG-O 2.86Å; L1691-Y1766 PolarHBondContact N-O 2.91Å; L1691-Y1766 PolarHBondContact O-N 3.42Å; D1744-Y1766 WeakPolarHBondContact CA-OH 3.46Å; D1744-Y1766 WeakPolarHBondContact CB-OH 3.37Å; D1744-Y1766 VanDerWaalsContact CG-OH 3.31Å; D1744-Y1766 WeakPolarHBondContact OD1-CE1 3.42Å; D1744-Y1766 PolarHBondContact OD1-OH 3Å; I1747-Y1766 HydrophobicContact CB-CE1 4.23Å; I1747-Y1766 HydrophobicContact CB-CE2 4.31Å; I1747-Y1766 HydrophobicContact CD1-CD2 3.62Å; I1747-Y1766 HydrophobicContact CD1-CE2 3.22Å; I1747-Y1766 HydrophobicContact CD1-CG 4.46Å; I1747-Y1766 HydrophobicContact CG1-CE2 4.32Å; I1747-Y1766 HydrophobicContact CG2-CD1 3.68Å; I1747-Y1766 HydrophobicContact CG2-CD2 4.09Å; I1747-Y1766 HydrophobicContact CG2-CE1 3.71Å; I1747-Y1766 HydrophobicContact CG2-CE2 4.12Å; I1747-Y1766 HydrophobicContact CG2-CG 3.88Å; A1754-Y1766 HydrophobicContact CB-CD1 4.38Å; R1755-Y1766 CarbonylContact O-C 3.46Å; R1755-Y1766 WeakPolarHBondContact O-CA 3.32Å; L1756-Y1766 HydrophobicContact CB-CD1 4.1Å; L1756-Y1766 HydrophobicContact CB-CE1 3.86Å; L1756-Y1766 HydrophobicContact CD1-CD1 4.04Å; L1756-Y1766 HydrophobicContact CD1-CD2 4.38Å; L1756-Y1766 HydrophobicContact CD1-CE1 3.55Å; L1756-Y1766 HydrophobicContact CD1-CE2 3.93Å; L1756-Y1766 HydrophobicContact CD1-CG 4.42Å; L1756-Y1766 VanDerWaalsContact CD1-CZ 3.47Å; L1756-Y1766 HydrophobicContact CG-CE1 4.27Å; L1764-Y1766 HydrophobicContact CB-CD2 4.43Å; L1764-Y1766 HydrophobicContact CB-CE2 3.69Å; L1764-Y1766 HydrophobicContact CD1-CE2 4.39Å; L1764-Y1766 HydrophobicContact CG-CE2 4.48Å |
| 1767 | H | 86.5 | Confident | 74.2 | Confident | 50 Ų | 50 | 69.3 Ų | 69.3 | 23% | 0.231 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111 | 125.1 | 166.3 | -175.4 | 44.3 | 0 | 0 | 0 | 109.7 | H1687 Y1689 R1755 V1757 P1769 | H1687-H1767 PolarHBondContact O-CE1 2.82Å; H1687-H1767 PolarHBondContact O-NE2 3.35Å; Y1689-H1767 WeakPolarHBondContact O-CA 3.5Å; Y1689-H1767 PolarHBondContact O-ND1 3.18Å; R1755-H1767 PolarHBondContact N-O 2.76Å; R1755-H1767 PolarHBondContact O-N 2.85Å; V1757-H1767 HydrophobicContact CG2-CB 3.8Å; H1767-P1769 WeakPolarHBondContact O-CD 3.33Å |
| 1768 | L | 87.3 | Confident | 74.5 | Confident | 2 Ų | 2 | 65.2 Ų | 65.2 | 1% | 0.01 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.3 | 97.5 | -176 | -63.7 | 166.5 | 0 | 0 | 0 | 108.9 | G1688 Y1689 L1691 F1751 A1754 I1781 | G1688-L1768 CarbonylContact C-O 3.44Å; G1688-L1768 VanDerWaalsContact CA-O 3.31Å; G1688-L1768 WeakPolarHBondContact CA-O 3.36Å; Y1689-L1768 PolarHBondContact N-O 3.04Å; Y1689-L1768 PolarHBondContact O-N 3.26Å; L1691-L1768 HydrophobicContact CB-CD1 3.94Å; L1691-L1768 HydrophobicContact CD2-CD1 4.42Å; F1751-L1768 HydrophobicContact CB-CD2 3.69Å; F1751-L1768 HydrophobicContact CD1-CD2 4.14Å; F1751-L1768 HydrophobicContact CD2-CD2 4Å; F1751-L1768 HydrophobicContact CG-CD2 3.68Å; A1754-L1768 HydrophobicContact CB-CD2 3.65Å; L1768-I1781 HydrophobicContact CD1-CD1 4.01Å; L1768-I1781 HydrophobicContact CD1-CG2 4.3Å |
| 1769 | P | 81.3 | Confident | 75.1 | Confident | 32 Ų | 32 | 62.9 Ų | 62.9 | 21% | 0.208 | 30% | 0.299 | C | S | . | . | trans | -69.9 | 141.1 | -177.6 | 26.9 | -32.8 | 0 | 0 | 0 | 112.1 | D1753 H1767 | D1753-P1769 HydrophobicContact CB-CG 3.93Å; D1753-P1769 VanDerWaalsContact O-CD 3.22Å; D1753-P1769 WeakPolarHBondContact O-CD 3.46Å; D1753-P1769 VanDerWaalsContact O-CG 3.31Å; D1753-P1769 WeakPolarHBondContact O-CG 3.29Å; H1767-P1769 WeakPolarHBondContact O-CD 3.33Å | ||
| 1770 | T | 73.9 | Confident | 75.4 | Confident | 38 Ų | 38 | 63.1 Ų | 63.1 | 23% | 0.233 | 30% | 0.304 | C | S | . | . | S | Bend | trans | -90 | -14.2 | 177.3 | 38.7 | 0 | 0 | 0 | 0 | 114.2 | G1688 Y1689 G1772 | G1688-T1770 WeakPolarHBondContact CA-OG1 3.27Å; G1688-T1770 PolarHBondContact N-OG1 2.76Å; Y1689-T1770 HydrophobicContact CD2-CG2 4.24Å; Y1689-T1770 HydrophobicContact CE2-CG2 3.91Å; T1770-G1772 VanDerWaalsContact C-N 3.27Å; T1770-G1772 PolarHBondContact O-N 2.8Å |
| 1771 | D | 64.4 | Low | 76 | Confident | 119 Ų | 119 | 61.8 Ų | 61.8 | 64% | 0.636 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -87.2 | 11.9 | -172.5 | -60.4 | -25.2 | 0 | 0 | 0 | 113.5 | H1687 | H1687-D1771 IonicContact CE1-OD2 3.03Å; H1687-D1771 IonicContact CG-OD2 3.57Å; H1687-D1771 IonicContact ND1-OD2 3.54Å; H1687-D1771 PolarHBondContact ND1-OD2 2.95Å |
| 1772 | G | 54.1 | Low | 76.8 | Confident | 27 Ų | 27 | 58.2 Ų | 58.2 | 28% | 0.278 | 28% | 0.281 | S | S | . | . | S | Bend | trans | -82.8 | 172.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | T1770 N1774 | T1770-G1772 VanDerWaalsContact C-N 3.27Å; T1770-G1772 PolarHBondContact O-N 2.8Å; G1772-N1774 PolarHBondContact O-N 2.91Å |
| 1773 | R | 48.8 | Very low | 77.5 | Confident | 251 Ų | 251 | 60.7 Ų | 60.7 | 95% | 0.947 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -59.1 | -19.2 | -178.2 | -80.9 | -176.5 | -178.7 | 174.5 | 1.2 | 114.4 | ||
| 1774 | N | 54.9 | Low | 78 | Confident | 131 Ų | 131 | 59.5 Ų | 59.5 | 70% | 0.701 | 29% | 0.285 | S | S | * | . | S | Bend | trans | -116.5 | 113.9 | 174.3 | -74.7 | -16.5 | 0 | 0 | 0 | 109.3 | G1772 I1776 | G1772-N1774 PolarHBondContact O-N 2.91Å; N1774-I1776 PolarHBondContact O-N 2.85Å |
| 1775 | Q | 63.8 | Low | 78.1 | Confident | 180 Ų | 180 | 59.6 Ų | 59.6 | 84% | 0.841 | 29% | 0.286 | S | S | * | . | trans | -62.8 | 103.8 | 169.5 | -87.5 | -177.5 | -19.9 | 0 | 0 | 109.4 | R1777 | Q1775-R1777 PolarHBondContact O-N 2.9Š| ||
| 1776 | I | 75.2 | Confident | 78.1 | Confident | 34 Ų | 34 | 60.1 Ų | 60.1 | 17% | 0.174 | 29% | 0.288 | C | S | . | . | trans | -74.9 | 118.8 | 178.3 | -54 | 173.4 | 0 | 0 | 0 | 108.7 | F1751 N1774 I1781 | F1751-I1776 HydrophobicContact CD1-CD1 4.1Å; F1751-I1776 HydrophobicContact CE1-CG2 4.07Å; N1774-I1776 PolarHBondContact O-N 2.85Å; I1776-I1781 HydrophobicContact CG2-CD1 3.71Å; I1776-I1781 HydrophobicContact CG2-CG1 3.64Å | ||
| 1777 | R | 81.5 | Confident | 78 | Confident | 146 Ų | 146 | 65.3 Ų | 65.3 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | trans | -83.1 | 144.4 | 176.3 | -73.1 | -174.8 | -175.4 | 174.9 | 0.8 | 111.5 | E844 Q1775 S1779 H1780 I1781 | E844-R1777 WeakPolarHBondContact OE2-CB 3.35Å; Q1775-R1777 PolarHBondContact O-N 2.9Å; R1777-S1779 VanDerWaalsContact C-N 3.32Å; R1777-S1779 PolarHBondContact O-N 2.84Å; R1777-H1780 HydrophobicContact CB-CB 4.37Å; R1777-H1780 PolarHBondContact O-N 2.84Å; R1777-I1781 PolarHBondContact O-N 3.36Å | ||
| 1778 | L | 85 | Confident | 77.9 | Confident | 3 Ų | 3 | 64 Ų | 64 | 2% | 0.016 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -65.4 | -40 | -179.2 | -165.9 | 82.3 | 0 | 0 | 0 | 111.1 | F840 E844 V857 Y1689 H1780 I1781 F1782 I1799 | F840-L1778 HydrophobicContact CB-CD2 4.43Å; F840-L1778 HydrophobicContact CD1-CD2 3.92Å; F840-L1778 HydrophobicContact CD2-CD2 3.7Å; F840-L1778 HydrophobicContact CD2-CG 4.28Å; F840-L1778 HydrophobicContact CE1-CD2 4.14Å; F840-L1778 HydrophobicContact CE2-CD2 3.87Å; F840-L1778 HydrophobicContact CG-CD2 3.75Å; F840-L1778 HydrophobicContact CZ-CD2 4.13Å; E844-L1778 WeakPolarHBondContact OE1-CB 3.42Å; E844-L1778 PolarHBondContact OE1-N 3.3Å; V857-L1778 HydrophobicContact CB-CD2 4.04Å; V857-L1778 HydrophobicContact CG2-CD2 3.59Å; Y1689-L1778 HydrophobicContact CD1-CD1 3.72Å; Y1689-L1778 HydrophobicContact CE1-CD1 3.36Å; Y1689-L1778 HydrophobicContact CE2-CD1 4.22Å; Y1689-L1778 HydrophobicContact CG-CD1 4.31Å; L1778-H1780 VanDerWaalsContact C-N 3.28Å; L1778-H1780 PolarHBondContact O-N 2.87Å; L1778-I1781 PolarHBondContact O-N 3.32Å; L1778-F1782 HydrophobicContact CD1-CE2 4.41Å; L1778-F1782 HydrophobicContact CD2-CE2 4.27Å; L1778-F1782 HydrophobicContact CG-CD2 4.14Å; L1778-F1782 HydrophobicContact CG-CE2 4.11Å; L1778-F1782 PolarHBondContact O-N 3.07Å; L1778-I1799 HydrophobicContact CD1-CG2 4.28Å |
| 1779 | S | 86.9 | Confident | 77.7 | Confident | 4 Ų | 4 | 66.4 Ų | 66.4 | 3% | 0.028 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -52.8 | -43.7 | 174.2 | 48.3 | 0 | 0 | 0 | 0 | 112.5 | G837 E844 R1777 N1783 | G837-S1779 WeakPolarHBondContact O-CB 3.37Å; E844-S1779 WeakPolarHBondContact OE2-CB 3.43Å; E844-S1779 PolarHBondContact OE2-OG 2.99Å; R1777-S1779 VanDerWaalsContact C-N 3.32Å; R1777-S1779 PolarHBondContact O-N 2.84Å; S1779-N1783 WeakPolarHBondContact O-CB 3.46Å; S1779-N1783 PolarHBondContact O-N 2.85Å; S1779-N1783 VanDerWaalsContact O-N 3.14Å |
| 1780 | H | 86.2 | Confident | 77.7 | Confident | 102 Ų | 102 | 71.1 Ų | 71.1 | 47% | 0.472 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.8 | -42.5 | 179.9 | -170.9 | 68.2 | 0 | 0 | 0 | 112.7 | R1777 L1778 N1783 L1784 | R1777-H1780 HydrophobicContact CB-CB 4.37Å; R1777-H1780 PolarHBondContact O-N 2.84Å; L1778-H1780 VanDerWaalsContact C-N 3.28Å; L1778-H1780 PolarHBondContact O-N 2.87Å; H1780-N1783 PolarHBondContact O-N 2.88Å; H1780-L1784 VanDerWaalsContact O-CB 3.29Å; H1780-L1784 WeakPolarHBondContact O-CB 3.45Å; H1780-L1784 PolarHBondContact O-N 2.9Å |
| 1781 | I | 87.4 | Confident | 78.1 | Confident | 0 Ų | 0 | 76.9 Ų | 76.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -64.4 | -46.1 | -179.4 | -53.8 | 168.3 | 0 | 0 | 0 | 110.6 | Y1689 F1751 L1768 I1776 R1777 L1778 L1784 M1785 I1799 | Y1689-I1781 HydrophobicContact CD2-CD1 3.82Å; Y1689-I1781 HydrophobicContact CE2-CD1 4.39Å; Y1689-I1781 HydrophobicContact CG-CD1 4.36Å; F1751-I1781 HydrophobicContact CE1-CG1 4.23Å; F1751-I1781 HydrophobicContact CZ-CG1 4.15Å; F1751-I1781 HydrophobicContact CZ-CG2 4.33Å; L1768-I1781 HydrophobicContact CD1-CD1 4.01Å; L1768-I1781 HydrophobicContact CD1-CG2 4.3Å; I1776-I1781 HydrophobicContact CG2-CD1 3.71Å; I1776-I1781 HydrophobicContact CG2-CG1 3.64Å; R1777-I1781 PolarHBondContact O-N 3.36Å; L1778-I1781 PolarHBondContact O-N 3.32Å; I1781-L1784 PolarHBondContact O-N 2.87Å; I1781-M1785 HydrophobicContact CG2-CG 4.43Å; I1781-M1785 WeakPolarHBondContact O-CG 3.45Å; I1781-M1785 PolarHBondContact O-N 2.89Å; I1781-I1799 HydrophobicContact CB-CD1 4.21Å; I1781-I1799 HydrophobicContact CG2-CD1 3.52Å; I1781-I1799 HydrophobicContact CG2-CG1 4.13Å |
| 1782 | F | 87 | Confident | 78.9 | Confident | 3 Ų | 3 | 72.5 Ų | 72.5 | 1% | 0.013 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.8 | -47.6 | 178.8 | -89.6 | -82.1 | 0 | 0 | 0 | 111.8 | Y788 F836 F840 L1778 L1784 M1785 E1786 Y1797 I1799 | Y788-F1782 HydrophobicContact CD1-CZ 4.24Å; Y788-F1782 HydrophobicContact CE1-CE1 4.13Å; Y788-F1782 AromaticContact CE1-CZ 3.69Å; Y788-F1782 HydrophobicContact CE1-CZ 3.69Å; Y788-F1782 HydrophobicContact CE2-CE1 4.47Å; Y788-F1782 AromaticContact CZ-CE1 3.94Å; Y788-F1782 AromaticContact CZ-CZ 3.99Å; F836-F1782 HydrophobicContact CB-CD1 4.38Å; F836-F1782 HydrophobicContact CD2-CD1 4.38Å; F836-F1782 AromaticContact CD2-CE1 3.99Å; F836-F1782 HydrophobicContact CD2-CE1 3.99Å; F836-F1782 HydrophobicContact CD2-CZ 4.39Å; F840-F1782 AromaticContact CD2-CD2 3.92Å; F840-F1782 HydrophobicContact CD2-CD2 3.92Å; F840-F1782 HydrophobicContact CD2-CE2 4.21Å; F840-F1782 AromaticContact CE2-CD2 3.8Å; F840-F1782 HydrophobicContact CE2-CD2 3.8Å; F840-F1782 AromaticContact CE2-CE2 3.67Å; F840-F1782 HydrophobicContact CE2-CE2 3.67Å; F840-F1782 HydrophobicContact CE2-CG 4.45Å; F840-F1782 HydrophobicContact CE2-CZ 4.23Å; L1778-F1782 HydrophobicContact CD1-CE2 4.41Å; L1778-F1782 HydrophobicContact CD2-CE2 4.27Å; L1778-F1782 HydrophobicContact CG-CD2 4.14Å; L1778-F1782 HydrophobicContact CG-CE2 4.11Å; L1778-F1782 PolarHBondContact O-N 3.07Å; F1782-L1784 PolarHBondContact O-N 3.49Å; F1782-M1785 PolarHBondContact O-N 3.02Å; F1782-E1786 WeakPolarHBondContact O-CB 3.43Å; F1782-E1786 PolarHBondContact O-N 3Å; F1782-Y1797 HydrophobicContact CD1-CE2 4.48Å; F1782-I1799 HydrophobicContact CD1-CD1 3.93Å; F1782-I1799 HydrophobicContact CD2-CD1 3.81Å; F1782-I1799 HydrophobicContact CE1-CD1 3.98Å; F1782-I1799 HydrophobicContact CE2-CB 4.07Å; F1782-I1799 HydrophobicContact CE2-CD1 3.87Å; F1782-I1799 HydrophobicContact CE2-CG2 4.2Å; F1782-I1799 HydrophobicContact CG-CD1 3.84Å; F1782-I1799 HydrophobicContact CZ-CB 3.95Å; F1782-I1799 HydrophobicContact CZ-CD1 3.96Å; F1782-I1799 HydrophobicContact CZ-CG1 4.48Å |
| 1783 | N | 86.6 | Confident | 80.1 | Confident | 58 Ų | 58 | 72.7 Ų | 72.7 | 31% | 0.31 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 178.7 | -78.8 | -16.3 | 0 | 0 | 0 | 111.9 | G837 S1779 H1780 T1787 | G837-N1783 WeakPolarHBondContact CA-OD1 3.49Å; S1779-N1783 WeakPolarHBondContact O-CB 3.46Å; S1779-N1783 PolarHBondContact O-N 2.85Å; S1779-N1783 VanDerWaalsContact O-N 3.14Å; H1780-N1783 PolarHBondContact O-N 2.88Å; N1783-T1787 WeakPolarHBondContact O-CB 3.43Å; N1783-T1787 PolarHBondContact O-N 2.74Å; N1783-T1787 VanDerWaalsContact O-N 3.12Å; N1783-T1787 PolarHBondContact O-OG1 2.87Å |
| 1784 | L | 87.8 | Confident | 81.7 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.131 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66 | -43.3 | -177.9 | -166.9 | 105.1 | 0 | 0 | 0 | 112.4 | F1746 E1750 F1751 H1780 I1781 F1782 N1788 | F1746-L1784 HydrophobicContact CE1-CD2 4.29Å; F1746-L1784 HydrophobicContact CZ-CD2 4.1Å; F1746-L1784 HydrophobicContact CZ-CG 4.49Å; E1750-L1784 HydrophobicContact CB-CD2 3.91Å; E1750-L1784 HydrophobicContact CG-CD2 4.04Å; F1751-L1784 HydrophobicContact CE2-CD2 3.7Å; F1751-L1784 HydrophobicContact CZ-CD2 3.82Å; H1780-L1784 VanDerWaalsContact O-CB 3.29Å; H1780-L1784 WeakPolarHBondContact O-CB 3.45Å; H1780-L1784 PolarHBondContact O-N 2.9Å; I1781-L1784 PolarHBondContact O-N 2.87Å; F1782-L1784 PolarHBondContact O-N 3.49Å; L1784-N1788 PolarHBondContact O-N 3.28Å; L1784-N1788 PolarHBondContact O-ND2 2.99Å |
| 1785 | M | 88 | Confident | 82.7 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.005 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.4 | -43.5 | -179.6 | -71.5 | -58.8 | -61.8 | 0 | 0 | 112.3 | L1691 V1693 I1781 F1782 N1788 K1789 L1794 Y1797 | L1691-M1785 HydrophobicContact CD1-CE 4.22Å; L1691-M1785 HydrophobicContact CD1-CG 4.17Å; L1691-M1785 HydrophobicContact CD1-SD 4.41Å; L1691-M1785 HydrophobicContact CD2-CE 4.43Å; L1691-M1785 HydrophobicContact CD2-SD 4.09Å; V1693-M1785 HydrophobicContact CG2-CE 3.95Å; I1781-M1785 HydrophobicContact CG2-CG 4.43Å; I1781-M1785 WeakPolarHBondContact O-CG 3.45Å; I1781-M1785 PolarHBondContact O-N 2.89Å; F1782-M1785 PolarHBondContact O-N 3.02Å; M1785-N1788 PolarHBondContact O-N 3.01Å; M1785-K1789 PolarHBondContact O-N 3.31Å; M1785-L1794 HydrophobicContact CE-CD1 3.73Å; M1785-Y1797 HydrophobicContact CB-CD1 4.35Å; M1785-Y1797 HydrophobicContact CB-CD2 3.9Å; M1785-Y1797 HydrophobicContact CB-CE1 4.07Å; M1785-Y1797 HydrophobicContact CB-CE2 3.6Å; M1785-Y1797 HydrophobicContact CB-CG 4.27Å; M1785-Y1797 HydrophobicContact CE-CD2 4.43Å; M1785-Y1797 HydrophobicContact CE-CG 4.14Å; M1785-Y1797 HydrophobicContact CG-CD2 4.29Å; M1785-Y1797 HydrophobicContact CG-CE2 4.32Å |
| 1786 | E | 85.7 | Confident | 83.3 | Confident | 56 Ų | 56 | 52.1 Ų | 52.1 | 26% | 0.262 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -66.2 | -43.3 | -179.4 | -165.2 | 58.3 | -139.5 | 0 | 0 | 111 | I833 F1782 N1788 K1789 Y1797 | I833-E1786 WeakPolarHBondContact CG2-OE2 3.36Å; F1782-E1786 WeakPolarHBondContact O-CB 3.43Å; F1782-E1786 PolarHBondContact O-N 3Å; E1786-N1788 PolarHBondContact O-N 3.01Å; E1786-K1789 WeakPolarHBondContact O-CB 3.31Å; E1786-K1789 PolarHBondContact O-N 2.93Å; E1786-Y1797 WeakPolarHBondContact OE2-CE1 3.38Å; E1786-Y1797 PolarHBondContact OE2-OH 2.79Å |
| 1787 | T | 85.7 | Confident | 83.9 | Confident | 109 Ų | 109 | 51.3 Ų | 51.3 | 67% | 0.669 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -62 | -30.7 | 179.5 | -49.8 | 0 | 0 | 0 | 0 | 112.6 | N1783 | N1783-T1787 WeakPolarHBondContact O-CB 3.43Å; N1783-T1787 PolarHBondContact O-N 2.74Å; N1783-T1787 VanDerWaalsContact O-N 3.12Å; N1783-T1787 PolarHBondContact O-OG1 2.87Å |
| 1788 | N | 85.6 | Confident | 84 | Confident | 24 Ų | 24 | 45.1 Ų | 45.1 | 13% | 0.128 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -102.4 | 0.5 | -177.1 | -69.3 | -71.2 | 0 | 0 | 0 | 114.4 | F1746 L1784 M1785 E1786 T1790 R1791 L1792 | F1746-N1788 HydrophobicContact CZ-CB 4.06Å; L1784-N1788 PolarHBondContact O-N 3.28Å; L1784-N1788 PolarHBondContact O-ND2 2.99Å; M1785-N1788 PolarHBondContact O-N 3.01Å; E1786-N1788 PolarHBondContact O-N 3.01Å; N1788-T1790 PolarHBondContact O-N 3.46Å; N1788-R1791 PolarHBondContact O-N 3.38Å; N1788-R1791 VanDerWaalsContact OD1-CZ 3.23Å; N1788-R1791 PolarHBondContact OD1-NE 2.94Å; N1788-R1791 PolarHBondContact OD1-NH2 3.4Å; N1788-L1792 HydrophobicContact CB-CD1 3.8Å; N1788-L1792 HydrophobicContact CB-CG 4.31Å; N1788-L1792 WeakPolarHBondContact O-CB 3.46Å; N1788-L1792 WeakPolarHBondContact O-CG 3.07Å; N1788-L1792 PolarHBondContact O-N 3.48Å |
| 1789 | K | 83 | Confident | 84 | Confident | 52 Ų | 52 | 45 Ų | 45 | 23% | 0.226 | 24% | 0.237 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -47.4 | -174.4 | -175.1 | -178.9 | -179.2 | 177.1 | 0 | 113.1 | M1785 E1786 G1793 L1794 Y1797 | M1785-K1789 PolarHBondContact O-N 3.31Å; E1786-K1789 WeakPolarHBondContact O-CB 3.31Å; E1786-K1789 PolarHBondContact O-N 2.93Å; K1789-G1793 PolarHBondContact O-N 3.44Å; K1789-L1794 HydrophobicContact CG-CB 4.2Å; K1789-L1794 PolarHBondContact O-N 2.94Å; K1789-L1794 VanDerWaalsContact O-N 3.1Å; K1789-Y1797 HydrophobicContact CD-CD1 4.44Å; K1789-Y1797 HydrophobicContact CD-CE1 4.34Å |
| 1790 | T | 80.7 | Confident | 83.8 | Confident | 131 Ų | 131 | 46.2 Ų | 46.2 | 80% | 0.804 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -41.7 | 178.8 | 51.5 | 0 | 0 | 0 | 0 | 112.1 | N1788 L1792 G1793 | N1788-T1790 PolarHBondContact O-N 3.46Å; T1790-L1792 VanDerWaalsContact C-N 3.33Å; T1790-L1792 PolarHBondContact O-N 2.88Å; T1790-G1793 PolarHBondContact O-N 3.3Å |
| 1791 | R | 82.6 | Confident | 83.7 | Confident | 158 Ų | 158 | 42.9 Ų | 42.9 | 60% | 0.596 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -62.3 | -38.5 | -179.7 | -169 | -178.4 | 78.1 | 176.8 | -3.1 | 112.6 | F1746 N1788 G1793 | F1746-R1791 VanDerWaalsContact CE2-NH2 3.29Å; N1788-R1791 PolarHBondContact O-N 3.38Å; N1788-R1791 VanDerWaalsContact OD1-CZ 3.23Å; N1788-R1791 PolarHBondContact OD1-NE 2.94Å; N1788-R1791 PolarHBondContact OD1-NH2 3.4Å; R1791-G1793 VanDerWaalsContact C-N 3.32Å |
| 1792 | L | 80.7 | Confident | 83.5 | Confident | 28 Ų | 28 | 43.5 Ų | 43.5 | 15% | 0.147 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | -0.5 | -177.5 | -68.7 | 168.4 | 0 | 0 | 0 | 113.3 | V1743 F1746 N1788 T1790 L1794 | V1743-L1792 HydrophobicContact CG2-CB 4.43Å; F1746-L1792 HydrophobicContact CB-CD2 3.85Å; F1746-L1792 HydrophobicContact CD1-CD1 3.39Å; F1746-L1792 HydrophobicContact CD1-CD2 4.17Å; F1746-L1792 HydrophobicContact CD1-CG 4.41Å; F1746-L1792 HydrophobicContact CD2-CD1 4.45Å; F1746-L1792 HydrophobicContact CD2-CD2 4.26Å; F1746-L1792 HydrophobicContact CE1-CD1 3.52Å; F1746-L1792 HydrophobicContact CG-CD1 3.89Å; F1746-L1792 HydrophobicContact CG-CD2 3.82Å; F1746-L1792 HydrophobicContact CG-CG 4.48Å; F1746-L1792 HydrophobicContact CZ-CD1 4.11Å; N1788-L1792 HydrophobicContact CB-CD1 3.8Å; N1788-L1792 HydrophobicContact CB-CG 4.31Å; N1788-L1792 WeakPolarHBondContact O-CB 3.46Å; N1788-L1792 WeakPolarHBondContact O-CG 3.07Å; N1788-L1792 PolarHBondContact O-N 3.48Å; T1790-L1792 VanDerWaalsContact C-N 3.33Å; T1790-L1792 PolarHBondContact O-N 2.88Å; L1792-L1794 VanDerWaalsContact C-N 3.28Å; L1792-L1794 HydrophobicContact CB-CD1 4.17Å; L1792-L1794 HydrophobicContact CB-CD2 4.11Å; L1792-L1794 HydrophobicContact CB-CG 3.75Å; L1792-L1794 HydrophobicContact CD1-CD1 4.26Å; L1792-L1794 PolarHBondContact O-N 3.41Å |
| 1793 | G | 78.4 | Confident | 83.2 | Confident | 31 Ų | 31 | 46.7 Ų | 46.7 | 32% | 0.32 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 63.5 | 33.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | R1696 K1789 T1790 R1791 | R1696-G1793 WeakPolarHBondContact CB-O 3.32Å; R1696-G1793 PolarHBondContact N-O 3.32Å; K1789-G1793 PolarHBondContact O-N 3.44Å; T1790-G1793 PolarHBondContact O-N 3.3Å; R1791-G1793 VanDerWaalsContact C-N 3.32Å |
| 1794 | L | 82.9 | Confident | 82.9 | Confident | 10 Ų | 10 | 44 Ų | 44 | 5% | 0.052 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.6 | 131.6 | -178.3 | -57.6 | -177.8 | 0 | 0 | 0 | 110.6 | V1693 V1695 V1743 M1785 K1789 L1792 | V1693-L1794 HydrophobicContact CG1-CD1 3.83Å; V1693-L1794 HydrophobicContact CG1-CD2 3.32Å; V1693-L1794 HydrophobicContact CG1-CG 4.12Å; V1695-L1794 HydrophobicContact CG2-CD2 4.42Å; V1743-L1794 HydrophobicContact CG1-CD2 4.1Å; V1743-L1794 HydrophobicContact CG2-CD2 3.77Å; M1785-L1794 HydrophobicContact CE-CD1 3.73Å; K1789-L1794 HydrophobicContact CG-CB 4.2Å; K1789-L1794 PolarHBondContact O-N 2.94Å; K1789-L1794 VanDerWaalsContact O-N 3.1Å; L1792-L1794 VanDerWaalsContact C-N 3.28Å; L1792-L1794 HydrophobicContact CB-CD1 4.17Å; L1792-L1794 HydrophobicContact CB-CD2 4.11Å; L1792-L1794 HydrophobicContact CB-CG 3.75Å; L1792-L1794 HydrophobicContact CD1-CD1 4.26Å; L1792-L1794 PolarHBondContact O-N 3.41Å |
| 1795 | L | 76.3 | Confident | 82.6 | Confident | 76 Ų | 76 | 43.7 Ų | 43.7 | 40% | 0.398 | 24% | 0.237 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.2 | -46.6 | 174.6 | -149.2 | 146.9 | 0 | 0 | 0 | 109.7 | Q1694 R1696 | Q1694-L1795 HydrophobicContact CG-CB 4.37Å; Q1694-L1795 PolarHBondContact O-N 3.29Å; R1696-L1795 HydrophobicContact CB-CB 4.34Å; R1696-L1795 HydrophobicContact CB-CD1 4.17Å; R1696-L1795 HydrophobicContact CG-CD1 4.24Å |
| 1796 | N | 77.1 | Confident | 82.2 | Confident | 44 Ų | 44 | 46 Ų | 46 | 24% | 0.235 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -156.3 | 159.8 | 172.1 | -90.5 | -34 | 0 | 0 | 0 | 111.8 | L778 A782 Q1694 | L778-N1796 HydrophobicContact CD2-CB 3.98Å; A782-N1796 WeakPolarHBondContact CB-ND2 3.02Å; Q1694-N1796 PolarHBondContact N-O 2.72Å |
| 1797 | Y | 86.1 | Confident | 82 | Confident | 17 Ų | 17 | 43.3 Ų | 43.3 | 7% | 0.067 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 157.4 | 168.9 | 78.3 | -87.8 | 0 | 0 | 0 | 111 | L1691 N1692 F1782 M1785 E1786 K1789 I1799 | L1691-Y1797 HydrophobicContact CD1-CD2 4.29Å; N1692-Y1797 CarbonylContact O-C 3.57Å; N1692-Y1797 VanDerWaalsContact O-CA 3.23Å; N1692-Y1797 WeakPolarHBondContact O-CA 3.47Å; F1782-Y1797 HydrophobicContact CD1-CE2 4.48Å; M1785-Y1797 HydrophobicContact CB-CD1 4.35Å; M1785-Y1797 HydrophobicContact CB-CD2 3.9Å; M1785-Y1797 HydrophobicContact CB-CE1 4.07Å; M1785-Y1797 HydrophobicContact CB-CE2 3.6Å; M1785-Y1797 HydrophobicContact CB-CG 4.27Å; M1785-Y1797 HydrophobicContact CE-CD2 4.43Å; M1785-Y1797 HydrophobicContact CE-CG 4.14Å; M1785-Y1797 HydrophobicContact CG-CD2 4.29Å; M1785-Y1797 HydrophobicContact CG-CE2 4.32Å; E1786-Y1797 WeakPolarHBondContact OE2-CE1 3.38Å; E1786-Y1797 PolarHBondContact OE2-OH 2.79Å; K1789-Y1797 HydrophobicContact CD-CD1 4.44Å; K1789-Y1797 HydrophobicContact CD-CE1 4.34Å; Y1797-I1799 HydrophobicContact CD2-CD1 4.26Å; Y1797-I1799 HydrophobicContact CD2-CG1 4.21Å; Y1797-I1799 HydrophobicContact CE2-CD1 3.79Å; Y1797-I1799 HydrophobicContact CE2-CG1 4.2Å |
| 1798 | S | 83.6 | Confident | 81.9 | Confident | 15 Ų | 15 | 38.3 Ų | 38.3 | 11% | 0.105 | 20% | 0.204 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 142.9 | 175.3 | 71.4 | 0 | 0 | 0 | 0 | 112.4 | Y788 L1691 N1692 | Y788-S1798 WeakPolarHBondContact OH-CA 3.3Å; L1691-S1798 WeakPolarHBondContact CA-O 3.36Å; N1692-S1798 PolarHBondContact N-O 2.84Å; N1692-S1798 PolarHBondContact O-N 2.96Å |
| 1799 | I | 86 | Confident | 81.5 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 132.6 | -178.1 | -60.4 | 160.9 | 0 | 0 | 0 | 109.2 | Y788 S1690 L1691 L1778 I1781 F1782 Y1797 | Y788-I1799 WeakPolarHBondContact CE1-O 3.31Å; Y788-I1799 PolarHBondContact OH-N 3.1Å; S1690-I1799 CarbonylContact O-C 3.56Å; S1690-I1799 WeakPolarHBondContact O-CA 3.32Å; L1691-I1799 HydrophobicContact CD1-CD1 4.46Å; L1691-I1799 HydrophobicContact CD1-CG1 3.66Å; L1778-I1799 HydrophobicContact CD1-CG2 4.28Å; I1781-I1799 HydrophobicContact CB-CD1 4.21Å; I1781-I1799 HydrophobicContact CG2-CD1 3.52Å; I1781-I1799 HydrophobicContact CG2-CG1 4.13Å; F1782-I1799 HydrophobicContact CD1-CD1 3.93Å; F1782-I1799 HydrophobicContact CD2-CD1 3.81Å; F1782-I1799 HydrophobicContact CE1-CD1 3.98Å; F1782-I1799 HydrophobicContact CE2-CB 4.07Å; F1782-I1799 HydrophobicContact CE2-CD1 3.87Å; F1782-I1799 HydrophobicContact CE2-CG2 4.2Å; F1782-I1799 HydrophobicContact CG-CD1 3.84Å; F1782-I1799 HydrophobicContact CZ-CB 3.95Å; F1782-I1799 HydrophobicContact CZ-CD1 3.96Å; F1782-I1799 HydrophobicContact CZ-CG1 4.48Å; Y1797-I1799 HydrophobicContact CD2-CD1 4.26Å; Y1797-I1799 HydrophobicContact CD2-CG1 4.21Å; Y1797-I1799 HydrophobicContact CE2-CD1 3.79Å; Y1797-I1799 HydrophobicContact CE2-CG1 4.2Å |
| 1800 | S | 82 | Confident | 81.3 | Confident | 29 Ų | 29 | 37.1 Ų | 37.1 | 20% | 0.203 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -140.7 | 151.6 | 177.8 | 58.1 | 0 | 0 | 0 | 0 | 112.1 | Y1689 S1690 | Y1689-S1800 CarbonylContact C-O 3.52Å; Y1689-S1800 WeakPolarHBondContact CA-O 3.33Å; S1690-S1800 PolarHBondContact N-O 3.35Å; S1690-S1800 PolarHBondContact O-N 3.48Å |
| 1801 | Q | 85.3 | Confident | 81.1 | Confident | 32 Ų | 32 | 32.1 Ų | 32.1 | 15% | 0.15 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 157.1 | 168.8 | -170.1 | 173.5 | 14.2 | 0 | 0 | 111.1 | V857 Q1679 Y1689 T1803 | V857-Q1801 PolarHBondContact O-N 3.5Å; V857-Q1801 VanDerWaalsContact O-N 3.17Å; Q1679-Q1801 VanDerWaalsContact NE2-OE1 3.16Å; Y1689-Q1801 HydrophobicContact CD1-CB 4.35Å; Y1689-Q1801 HydrophobicContact CE1-CB 4.45Å; Y1689-Q1801 HydrophobicContact CE1-CG 4.47Å; Q1801-T1803 PolarHBondContact O-N 2.83Å |
| 1802 | T | 81.8 | Confident | 80.7 | Confident | 13 Ų | 13 | 25.1 Ų | 25.1 | 8% | 0.08 | 14% | 0.143 | C | C | . | . | P | Polyproline II helix | trans | -47.4 | 128.4 | 167.1 | 23.3 | 0 | 0 | 0 | 0 | 112 | G1686 G1688 Q1806 | G1686-T1802 WeakPolarHBondContact CA-OG1 3.42Å; G1688-T1802 PolarHBondContact O-N 3.07Å; G1688-T1802 PolarHBondContact O-OG1 3.4Å; T1802-Q1806 HydrophobicContact CG2-CG 4.45Å |
| 1803 | T | 81.3 | Confident | 80.3 | Confident | 70 Ų | 70 | 30.1 Ų | 30.1 | 43% | 0.429 | 16% | 0.163 | S | C | . | . | P | Polyproline II helix | trans | -76 | 155.7 | -176.7 | 64.3 | 0 | 0 | 0 | 0 | 111.4 | Q1801 E1805 Q1806 I1807 | Q1801-T1803 PolarHBondContact O-N 2.83Å; T1803-E1805 PolarHBondContact O-N 3.27Å; T1803-Q1806 WeakPolarHBondContact O-CB 3.32Å; T1803-Q1806 PolarHBondContact O-N 2.87Å; T1803-Q1806 VanDerWaalsContact O-N 3.14Å; T1803-Q1806 PolarHBondContact OG1-N 3.28Å; T1803-I1807 PolarHBondContact O-N 3.22Å |
| 1804 | L | 81.1 | Confident | 79.6 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.6 | -29.5 | 175.8 | -168.1 | 72.2 | 0 | 0 | 0 | 111.5 | L1495 M1654 L1681 K1682 F1808 | L1495-L1804 HydrophobicContact CD1-CD2 4.25Å; M1654-L1804 HydrophobicContact CB-CB 4.28Å; M1654-L1804 HydrophobicContact CB-CD2 4.28Å; M1654-L1804 HydrophobicContact CG-CB 3.87Å; M1654-L1804 HydrophobicContact CG-CD2 3.83Å; M1654-L1804 HydrophobicContact CG-CG 3.87Å; L1681-L1804 HydrophobicContact CB-CD1 4.11Å; L1681-L1804 HydrophobicContact CD1-CD1 4.39Å; K1682-L1804 HydrophobicContact CG-CD1 4.44Å; L1804-F1808 WeakPolarHBondContact O-CB 3.33Å; L1804-F1808 PolarHBondContact O-N 2.82Å; L1804-F1808 VanDerWaalsContact O-N 3.08Å |
| 1805 | E | 80 | Confident | 78.3 | Confident | 20 Ų | 20 | 37.3 Ų | 37.3 | 9% | 0.093 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -68 | -41.4 | 176.4 | -171.9 | 178.3 | -157.7 | 0 | 0 | 111.9 | P727 R730 M1654 T1803 F1808 I1809 | P727-E1805 HydrophobicContact CB-CG 4.15Å; R730-E1805 IonicContact NH1-OE1 2.75Å; M1654-E1805 HydrophobicContact CB-CB 4.39Å; M1654-E1805 HydrophobicContact CG-CB 4.1Å; T1803-E1805 PolarHBondContact O-N 3.27Å; E1805-F1808 WeakPolarHBondContact O-CB 3.48Å; E1805-F1808 PolarHBondContact O-N 2.7Å; E1805-I1809 HydrophobicContact CG-CD1 4.09Å; E1805-I1809 WeakPolarHBondContact O-CG1 3.33Å; E1805-I1809 PolarHBondContact O-N 3.32Å |
| 1806 | Q | 80.8 | Confident | 76.9 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 22% | 0.224 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -48.2 | 175.8 | -176.3 | 59.1 | 40.9 | 0 | 0 | 111.2 | T1802 T1803 F1808 I1809 D1810 | T1802-Q1806 HydrophobicContact CG2-CG 4.45Å; T1803-Q1806 WeakPolarHBondContact O-CB 3.32Å; T1803-Q1806 PolarHBondContact O-N 2.87Å; T1803-Q1806 VanDerWaalsContact O-N 3.14Å; T1803-Q1806 PolarHBondContact OG1-N 3.28Å; Q1806-F1808 VanDerWaalsContact C-N 3.3Å; Q1806-F1808 PolarHBondContact O-N 3.13Å; Q1806-I1809 PolarHBondContact O-N 2.87Å; Q1806-I1809 VanDerWaalsContact O-N 3.13Å; Q1806-D1810 PolarHBondContact NE2-OD1 3.45Å; Q1806-D1810 PolarHBondContact NE2-OD2 3.38Å; Q1806-D1810 VanDerWaalsContact NE2-OD2 3.09Å; Q1806-D1810 VanDerWaalsContact O-CG 3.26Å; Q1806-D1810 PolarHBondContact O-N 3.24Å |
| 1807 | I | 82 | Confident | 75 | Confident | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.3 | -43.6 | 178.1 | -69.6 | 169.1 | 0 | 0 | 0 | 111.6 | K1682 F1685 T1803 D1810 L1811 | K1682-I1807 VanDerWaalsContact CA-CD1 3.47Å; K1682-I1807 HydrophobicContact CB-CD1 4.25Å; K1682-I1807 HydrophobicContact CG-CD1 4.04Å; F1685-I1807 HydrophobicContact CB-CD1 4.46Å; F1685-I1807 HydrophobicContact CB-CG1 4.4Å; F1685-I1807 HydrophobicContact CB-CG2 3.5Å; F1685-I1807 VanDerWaalsContact CB-CG2 3.5Å; F1685-I1807 HydrophobicContact CG-CG2 4.29Å; T1803-I1807 PolarHBondContact O-N 3.22Å; I1807-D1810 PolarHBondContact O-N 3.15Å; I1807-L1811 HydrophobicContact CG2-CD1 3.99Å; I1807-L1811 WeakPolarHBondContact O-CB 3.46Å; I1807-L1811 WeakPolarHBondContact O-CG 3.42Å; I1807-L1811 PolarHBondContact O-N 3.33Å |
| 1808 | F | 81.7 | Confident | 72.6 | Confident | 3 Ų | 3 | 48 Ų | 48 | 1% | 0.013 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 176.6 | 169.3 | -101.9 | 0 | 0 | 0 | 112 | P727 G1496 V1497 M1654 I1666 L1804 E1805 Q1806 D1810 L1811 I1812 | P727-F1808 HydrophobicContact CB-CD1 4.3Å; P727-F1808 HydrophobicContact CB-CE1 4.05Å; P727-F1808 HydrophobicContact CG-CD1 4.26Å; P727-F1808 HydrophobicContact CG-CE1 3.77Å; G1496-F1808 VanDerWaalsContact C-CZ 3.41Å; V1497-F1808 HydrophobicContact CG1-CE1 4.4Å; V1497-F1808 HydrophobicContact CG1-CZ 4.1Å; M1654-F1808 HydrophobicContact CE-CB 3.08Å; M1654-F1808 HydrophobicContact CE-CD1 3.48Å; M1654-F1808 VanDerWaalsContact CE-CD1 3.48Å; M1654-F1808 HydrophobicContact CE-CD2 3.48Å; M1654-F1808 VanDerWaalsContact CE-CD2 3.48Å; M1654-F1808 HydrophobicContact CE-CE1 4.15Å; M1654-F1808 HydrophobicContact CE-CE2 4.14Å; M1654-F1808 HydrophobicContact CE-CG 3.08Å; M1654-F1808 HydrophobicContact CE-CZ 4.42Å; I1666-F1808 HydrophobicContact CD1-CB 4.41Å; I1666-F1808 HydrophobicContact CD1-CD2 4.14Å; I1666-F1808 HydrophobicContact CG1-CD2 4.41Å; I1666-F1808 HydrophobicContact CG2-CD2 3.71Å; I1666-F1808 HydrophobicContact CG2-CE2 3.94Å; L1804-F1808 WeakPolarHBondContact O-CB 3.33Å; L1804-F1808 PolarHBondContact O-N 2.82Å; L1804-F1808 VanDerWaalsContact O-N 3.08Å; E1805-F1808 WeakPolarHBondContact O-CB 3.48Å; E1805-F1808 PolarHBondContact O-N 2.7Å; Q1806-F1808 VanDerWaalsContact C-N 3.3Å; Q1806-F1808 PolarHBondContact O-N 3.13Å; F1808-D1810 VanDerWaalsContact C-N 3.32Å; F1808-D1810 PolarHBondContact O-N 3.46Å; F1808-L1811 PolarHBondContact O-N 3.36Å; F1808-I1812 HydrophobicContact CD1-CD1 3.42Å; F1808-I1812 VanDerWaalsContact CD1-CD1 3.42Å; F1808-I1812 HydrophobicContact CD2-CD1 3.87Å; F1808-I1812 HydrophobicContact CE1-CD1 3.15Å; F1808-I1812 HydrophobicContact CE2-CD1 3.64Å; F1808-I1812 HydrophobicContact CG-CD1 3.78Å; F1808-I1812 HydrophobicContact CZ-CD1 3.29Å; F1808-I1812 VanDerWaalsContact O-CD1 3.27Å; F1808-I1812 WeakPolarHBondContact O-CD1 3.43Å; F1808-I1812 VanDerWaalsContact O-CG1 3.25Å; F1808-I1812 WeakPolarHBondContact O-CG1 3.28Å; F1808-I1812 PolarHBondContact O-N 3.2Å |
| 1809 | I | 77.5 | Confident | 69.9 | Low | 5 Ų | 5 | 54.2 Ų | 54.2 | 3% | 0.026 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -63 | -40.9 | 177.4 | -71.4 | 168.6 | 0 | 0 | 0 | 110.7 | P727 R731 E1805 Q1806 I1812 K1813 | P727-I1809 HydrophobicContact CB-CD1 4.23Å; P727-I1809 HydrophobicContact CB-CG1 4.37Å; R731-I1809 HydrophobicContact CG-CD1 4.12Å; E1805-I1809 HydrophobicContact CG-CD1 4.09Å; E1805-I1809 WeakPolarHBondContact O-CG1 3.33Å; E1805-I1809 PolarHBondContact O-N 3.32Å; Q1806-I1809 PolarHBondContact O-N 2.87Å; Q1806-I1809 VanDerWaalsContact O-N 3.13Å; I1809-I1812 PolarHBondContact O-N 2.96Å; I1809-K1813 HydrophobicContact CG2-CD 4.1Å; I1809-K1813 HydrophobicContact CG2-CG 4.3Å; I1809-K1813 WeakPolarHBondContact O-CG 3.24Å; I1809-K1813 PolarHBondContact O-N 3.09Å |
| 1810 | D | 79.4 | Confident | 67.1 | Low | 46 Ų | 46 | 64.9 Ų | 64.9 | 25% | 0.246 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -65.8 | -40.4 | 178.5 | -65.2 | -26.6 | 0 | 0 | 0 | 111.4 | Q1806 I1807 F1808 I1812 K1813 L1814 | Q1806-D1810 PolarHBondContact NE2-OD1 3.45Å; Q1806-D1810 PolarHBondContact NE2-OD2 3.38Å; Q1806-D1810 VanDerWaalsContact NE2-OD2 3.09Å; Q1806-D1810 VanDerWaalsContact O-CG 3.26Å; Q1806-D1810 PolarHBondContact O-N 3.24Å; I1807-D1810 PolarHBondContact O-N 3.15Å; F1808-D1810 VanDerWaalsContact C-N 3.32Å; F1808-D1810 PolarHBondContact O-N 3.46Å; D1810-I1812 VanDerWaalsContact C-N 3.29Å; D1810-I1812 PolarHBondContact O-N 2.87Å; D1810-K1813 PolarHBondContact O-N 3.02Å; D1810-L1814 WeakPolarHBondContact O-CG 3.47Å; D1810-L1814 PolarHBondContact O-N 3.49Å |
| 1811 | L | 77.5 | Confident | 66.4 | Low | 26 Ų | 26 | 66.7 Ų | 66.7 | 14% | 0.136 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.7 | -31.5 | 172.7 | -76 | 168.4 | 0 | 0 | 0 | 113.3 | I1666 F1685 I1807 F1808 | I1666-L1811 HydrophobicContact CD1-CD1 3.84Å; F1685-L1811 HydrophobicContact CD1-CD2 4.36Å; F1685-L1811 HydrophobicContact CE1-CD2 4.4Å; I1807-L1811 HydrophobicContact CG2-CD1 3.99Å; I1807-L1811 WeakPolarHBondContact O-CB 3.46Å; I1807-L1811 WeakPolarHBondContact O-CG 3.42Å; I1807-L1811 PolarHBondContact O-N 3.33Å; F1808-L1811 PolarHBondContact O-N 3.36Å |
| 1812 | I | 74.1 | Confident | 65.4 | Low | 12 Ų | 12 | 68.5 Ų | 68.5 | 6% | 0.062 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -79.1 | -41.4 | 176.8 | -69.4 | 156.8 | 0 | 0 | 0 | 111.5 | V1497 F1808 I1809 D1810 L1814 Q1815 | V1497-I1812 HydrophobicContact CG1-CD1 3.27Å; V1497-I1812 HydrophobicContact CG1-CG1 3.91Å; V1497-I1812 HydrophobicContact CG1-CG2 4.04Å; F1808-I1812 HydrophobicContact CD1-CD1 3.42Å; F1808-I1812 VanDerWaalsContact CD1-CD1 3.42Å; F1808-I1812 HydrophobicContact CD2-CD1 3.87Å; F1808-I1812 HydrophobicContact CE1-CD1 3.15Å; F1808-I1812 HydrophobicContact CE2-CD1 3.64Å; F1808-I1812 HydrophobicContact CG-CD1 3.78Å; F1808-I1812 HydrophobicContact CZ-CD1 3.29Å; F1808-I1812 VanDerWaalsContact O-CD1 3.27Å; F1808-I1812 WeakPolarHBondContact O-CD1 3.43Å; F1808-I1812 VanDerWaalsContact O-CG1 3.25Å; F1808-I1812 WeakPolarHBondContact O-CG1 3.28Å; F1808-I1812 PolarHBondContact O-N 3.2Å; I1809-I1812 PolarHBondContact O-N 2.96Å; D1810-I1812 VanDerWaalsContact C-N 3.29Å; D1810-I1812 PolarHBondContact O-N 2.87Å; I1812-L1814 PolarHBondContact O-N 3.4Å; I1812-Q1815 WeakPolarHBondContact O-CA 3.38Å; I1812-Q1815 WeakPolarHBondContact O-CB 3.47Å; I1812-Q1815 VanDerWaalsContact O-CG 3.23Å; I1812-Q1815 WeakPolarHBondContact O-CG 3.44Å; I1812-Q1815 PolarHBondContact O-N 3.17Å |
| 1813 | K | 71.5 | Confident | 64.5 | Low | 133 Ų | 133 | 71.6 Ų | 71.6 | 58% | 0.578 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.1 | -32.7 | 178.2 | -78.7 | -179.2 | 176.1 | -176.5 | 0 | 112.2 | I1809 D1810 Q1815 E1816 | I1809-K1813 HydrophobicContact CG2-CD 4.1Å; I1809-K1813 HydrophobicContact CG2-CG 4.3Å; I1809-K1813 WeakPolarHBondContact O-CG 3.24Å; I1809-K1813 PolarHBondContact O-N 3.09Å; D1810-K1813 PolarHBondContact O-N 3.02Å; K1813-Q1815 PolarHBondContact O-N 3.35Å; K1813-E1816 PolarHBondContact O-N 3.05Å |
| 1814 | L | 64.3 | Low | 63.5 | Low | 146 Ų | 146 | 71.6 Ų | 71.6 | 76% | 0.764 | 37% | 0.368 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.2 | -6.8 | 171 | -72.5 | 164.3 | 0 | 0 | 0 | 114 | D1810 I1812 | D1810-L1814 WeakPolarHBondContact O-CG 3.47Å; D1810-L1814 PolarHBondContact O-N 3.49Å; I1812-L1814 PolarHBondContact O-N 3.4Å |
| 1815 | Q | 54.3 | Low | 62.4 | Low | 45 Ų | 45 | 76.1 Ų | 76.1 | 21% | 0.21 | 39% | 0.391 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -15.7 | 180 | -60.6 | -176.7 | -94.4 | 0 | 0 | 115.2 | V1668 N1669 I1812 K1813 P1817 | V1668-Q1815 VanDerWaalsContact CB-CD 3.48Å; V1668-Q1815 HydrophobicContact CB-CG 4.44Å; V1668-Q1815 VanDerWaalsContact CB-NE2 3.29Å; V1668-Q1815 HydrophobicContact CG1-CG 3.89Å; N1669-Q1815 PolarHBondContact ND2-NE2 3.17Å; N1669-Q1815 VanDerWaalsContact ND2-NE2 3.1Å; N1669-Q1815 PolarHBondContact OD1-NE2 3.47Å; I1812-Q1815 WeakPolarHBondContact O-CA 3.38Å; I1812-Q1815 WeakPolarHBondContact O-CB 3.47Å; I1812-Q1815 VanDerWaalsContact O-CG 3.23Å; I1812-Q1815 WeakPolarHBondContact O-CG 3.44Å; I1812-Q1815 PolarHBondContact O-N 3.17Å; K1813-Q1815 PolarHBondContact O-N 3.35Å; Q1815-P1817 WeakPolarHBondContact O-CD 3.44Å; Q1815-P1817 VanDerWaalsContact O-N 3.1Å |
| 1816 | E | 47.4 | Very low | 61.2 | Low | 124 Ų | 124 | 79.8 Ų | 79.8 | 58% | 0.579 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -65.6 | 115 | 176.7 | -78.1 | -163.2 | 144.2 | 0 | 0 | 108.2 | K1813 V1818 Q1820 | K1813-E1816 PolarHBondContact O-N 3.05Å; E1816-V1818 PolarHBondContact O-N 3.42Å; E1816-Q1820 PolarHBondContact OE1-NE2 3.3Å |
| 1817 | P | 37.9 | Very low | 59.8 | Low | 92 Ų | 92 | 82.1 Ų | 82.1 | 60% | 0.597 | 42% | 0.424 | S | S | * | . | trans | -59.4 | 144.5 | 164.4 | 28.9 | -30.5 | 0 | 0 | 0 | 105.8 | Q1815 N1819 | Q1815-P1817 WeakPolarHBondContact O-CD 3.44Å; Q1815-P1817 VanDerWaalsContact O-N 3.1Å; P1817-N1819 PolarHBondContact O-N 2.77Å | ||
| 1818 | V | 34.8 | Very low | 58.1 | Low | 147 Ų | 147 | 88.3 Ų | 88.3 | 89% | 0.891 | 46% | 0.456 | S | S | * | . | S | Bend | trans | -63.6 | 45 | 175.9 | -175.8 | 0 | 0 | 0 | 0 | 111.5 | E1816 | E1816-V1818 PolarHBondContact O-N 3.42Š|
| 1819 | N | 26.8 | Very low | 56.2 | Low | 145 Ų | 145 | 95.4 Ų | 95.4 | 78% | 0.775 | 49% | 0.493 | S | S | * | . | trans | -127.8 | 52.2 | 177.1 | -69.1 | -15.6 | 0 | 0 | 0 | 108.1 | P1817 | P1817-N1819 PolarHBondContact O-N 2.77Š| ||
| 1820 | Q | 28.6 | Very low | 54.2 | Low | 224 Ų | 224 | 103.6 Ų | 103.6 | 100% | 1.047 | 54% | 0.535 | S | S | * | . | trans | -89.8 | 0 | 139.2 | -79.4 | -172.5 | 7.3 | 0 | 0 | 107.4 | E1816 | E1816-Q1820 PolarHBondContact OE1-NE2 3.3Š|
Retrieved 1,820 of 1,820 residues in 2710.2 ms
(Link to these results)