| 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 | 86.9 | Confident | 94.2 | Very high | 123 Ų | 123 | 56.5 Ų | 56.5 | 61% | 0.606 | 29% | 0.293 | S | S | * | . | 0 | 142.9 | 0 | -57.8 | -54.9 | -82 | 0 | 0 | 108 | E8 F9 | M1-E8 HydrophobicContact CB-CB 4.17Å; M1-E8 HydrophobicContact CE-CB 4.37Å; M1-E8 HydrophobicContact CE-CG 4.01Å; M1-F9 CarbonylContact C-O 3.55Å; M1-F9 WeakPolarHBondContact CA-O 3.39Å; M1-F9 VanDerWaalsContact CE-C 3.5Å | |||
| 2 | E | 93.8 | Very high | 94 | Very high | 65 Ų | 65 | 67.6 Ų | 67.6 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 143.6 | 165.4 | -82.4 | 159.9 | -103.9 | 0 | 0 | 108.8 | E8 F9 R11 | E2-E8 CarbonylContact O-C 3.55Å; E2-E8 WeakPolarHBondContact O-CA 3.42Å; E2-F9 HydrophobicContact CB-CD1 4.04Å; E2-F9 HydrophobicContact CB-CE1 3.51Å; E2-F9 HydrophobicContact CB-CE2 4.46Å; E2-F9 HydrophobicContact CB-CZ 3.75Å; E2-F9 PolarHBondContact N-O 2.88Å; E2-F9 WeakPolarHBondContact O-CD1 3.41Å; E2-F9 PolarHBondContact O-N 3.49Å; E2-R11 VanDerWaalsContact CD-NE 3.28Å; E2-R11 WeakPolarHBondContact OE1-CD 3.4Å; E2-R11 WeakPolarHBondContact OE1-CG 3.34Å; E2-R11 IonicContact OE1-CZ 2.94Å; E2-R11 IonicContact OE1-NE 2.81Å; E2-R11 PolarHBondContact OE1-NE 2.89Å; E2-R11 IonicContact OE1-NH2 3.33Å; E2-R11 IonicContact OE2-CZ 3.76Å; E2-R11 VanDerWaalsContact OE2-CZ 3.3Å; E2-R11 IonicContact OE2-NE 3.5Å; E2-R11 PolarHBondContact OE2-NE 2.98Å; E2-R11 IonicContact OE2-NH2 3.72Å; E2-R11 PolarHBondContact OE2-NH2 2.71Å |
| 3 | T | 94.4 | Very high | 94 | Very high | 92 Ų | 92 | 68.1 Ų | 68.1 | 56% | 0.564 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -107.9 | 135.9 | -173.5 | 52.6 | 0 | 0 | 0 | 0 | 111.9 | F7 E8 | T3-F7 WeakPolarHBondContact CA-O 3.42Å; T3-E8 HydrophobicContact CG2-CB 4.49Å |
| 4 | V | 93.9 | Very high | 94 | Very high | 7 Ų | 7 | 69.9 Ų | 69.9 | 4% | 0.042 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.3 | 91.9 | 179.3 | -178.5 | 0 | 0 | 0 | 0 | 106.5 | D6 F7 F9 I38 Q75 F82 V84 | V4-D6 PolarHBondContact O-N 3.01Å; V4-F7 PolarHBondContact N-O 3.16Å; V4-F7 WeakPolarHBondContact O-CA 3.27Å; V4-F7 WeakPolarHBondContact O-CB 2.85Å; V4-F7 PolarHBondContact O-N 3.18Å; V4-F9 HydrophobicContact CG2-CD1 3.93Å; V4-F9 HydrophobicContact CG2-CE1 3.69Å; V4-I38 HydrophobicContact CB-CD1 4.22Å; V4-I38 HydrophobicContact CG2-CD1 4.22Å; V4-I38 HydrophobicContact CG2-CG2 4.3Å; V4-Q75 HydrophobicContact CG1-CB 3.7Å; V4-Q75 HydrophobicContact CG1-CG 3.66Å; V4-F82 HydrophobicContact CG1-CB 3.74Å; V4-F82 HydrophobicContact CG1-CG 4.27Å; V4-F82 HydrophobicContact CG2-CB 4.39Å; V4-F82 HydrophobicContact CG2-CD1 3.99Å; V4-F82 HydrophobicContact CG2-CE1 4.41Å; V4-F82 HydrophobicContact CG2-CG 4.13Å; V4-V84 HydrophobicContact CB-CG2 4.45Å; V4-V84 HydrophobicContact CG1-CG2 3.66Å |
| 5 | G | 93 | Very high | 93.8 | Very high | 36 Ų | 36 | 70.6 Ų | 70.6 | 37% | 0.371 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.8 | -123.4 | -171.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F7 R29 | G5-F7 VanDerWaalsContact C-N 3.27Å; G5-F7 PolarHBondContact O-N 3.49Å; G5-R29 PolarHBondContact O-NH1 3.2Å |
| 6 | D | 95.6 | Very high | 93.3 | Very high | 64 Ų | 64 | 67.9 Ų | 67.9 | 34% | 0.342 | 36% | 0.356 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | 5 | 174.8 | -106.9 | -36.9 | 0 | 0 | 0 | 113.7 | V4 H28 R29 K30 | V4-D6 PolarHBondContact O-N 3.01Å; D6-H28 PolarHBondContact O-CD2 3.09Å; D6-R29 VanDerWaalsContact O-CB 3.27Å; D6-R29 WeakPolarHBondContact O-CB 3.4Å; D6-R29 VanDerWaalsContact O-CG 3.3Å; D6-R29 WeakPolarHBondContact O-CG 3.47Å; D6-R29 PolarHBondContact O-N 3.11Å; D6-K30 WeakPolarHBondContact OD1-CE 3.43Å; D6-K30 IonicContact OD1-NZ 2.71Å; D6-K30 PolarHBondContact OD1-NZ 3.19Å; D6-K30 IonicContact OD2-NZ 2.98Å; D6-K30 PolarHBondContact OD2-NZ 3.18Å |
| 7 | F | 97.2 | Very high | 92.6 | Very high | 12 Ų | 12 | 72.6 Ų | 72.6 | 5% | 0.053 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.5 | 160.7 | 179.4 | -54.2 | -90 | 0 | 0 | 0 | 112.7 | T3 V4 G5 R27 H28 R29 W34 V36 I38 D73 V84 | T3-F7 WeakPolarHBondContact CA-O 3.42Å; V4-F7 PolarHBondContact N-O 3.16Å; V4-F7 WeakPolarHBondContact O-CA 3.27Å; V4-F7 WeakPolarHBondContact O-CB 2.85Å; V4-F7 PolarHBondContact O-N 3.18Å; G5-F7 VanDerWaalsContact C-N 3.27Å; G5-F7 PolarHBondContact O-N 3.49Å; F7-R27 CarbonylContact C-O 3.12Å; F7-R27 WeakPolarHBondContact CA-O 3.22Å; F7-H28 HydrophobicContact CD1-CB 3.9Å; F7-H28 HydrophobicContact CE1-CB 3.92Å; F7-H28 AromaticContact CE1-CD2 3.78Å; F7-R29 WeakPolarHBondContact O-CD 3.38Å; F7-W34 HydrophobicContact CE1-CE3 4.45Å; F7-W34 HydrophobicContact CE1-CH2 4.24Å; F7-W34 HydrophobicContact CE1-CZ2 4.35Å; F7-W34 HydrophobicContact CE1-CZ3 4.29Å; F7-W34 HydrophobicContact CZ-CH2 4.13Å; F7-W34 HydrophobicContact CZ-CZ2 4.47Å; F7-W34 HydrophobicContact CZ-CZ3 4.41Å; F7-V36 HydrophobicContact CB-CG2 4.43Å; F7-V36 HydrophobicContact CD1-CB 4.43Å; F7-V36 HydrophobicContact CD1-CG1 3.78Å; F7-V36 HydrophobicContact CD1-CG2 3.86Å; F7-V36 HydrophobicContact CE1-CG1 3.7Å; F7-V36 HydrophobicContact CG-CG2 4.44Å; F7-I38 HydrophobicContact CB-CD1 4.21Å; F7-D73 HydrophobicContact CE2-CB 4.03Å; F7-V84 HydrophobicContact CB-CG1 4.36Å; F7-V84 HydrophobicContact CD1-CG1 3.86Å; F7-V84 HydrophobicContact CD2-CB 4.31Å; F7-V84 HydrophobicContact CD2-CG1 3.75Å; F7-V84 HydrophobicContact CD2-CG2 4.04Å; F7-V84 HydrophobicContact CE1-CG1 4.03Å; F7-V84 HydrophobicContact CE2-CB 4.47Å; F7-V84 HydrophobicContact CE2-CG1 3.93Å; F7-V84 HydrophobicContact CG-CG1 3.72Å; F7-V84 HydrophobicContact CG-CG2 4.42Å; F7-V84 HydrophobicContact CZ-CG1 4.06Å |
| 8 | E | 96.3 | Very high | 91.6 | Very high | 30 Ų | 30 | 70.7 Ų | 70.7 | 14% | 0.14 | 38% | 0.377 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.5 | 150.7 | 175.7 | 61.9 | 167 | -148.4 | 0 | 0 | 112.7 | M1 E2 T3 G26 R27 R29 | M1-E8 HydrophobicContact CB-CB 4.17Å; M1-E8 HydrophobicContact CE-CB 4.37Å; M1-E8 HydrophobicContact CE-CG 4.01Å; E2-E8 CarbonylContact O-C 3.55Å; E2-E8 WeakPolarHBondContact O-CA 3.42Å; T3-E8 HydrophobicContact CG2-CB 4.49Å; E8-G26 CarbonylContact O-C 3.52Å; E8-G26 WeakPolarHBondContact O-CA 3.4Å; E8-R27 HydrophobicContact CG-CG 3.95Å; E8-R27 PolarHBondContact N-O 2.85Å; E8-R27 PolarHBondContact O-N 3.25Å; E8-R27 IonicContact OE1-CZ 3.08Å; E8-R27 IonicContact OE1-NE 3.4Å; E8-R27 PolarHBondContact OE1-NE 2.95Å; E8-R27 IonicContact OE1-NH2 3.4Å; E8-R27 PolarHBondContact OE1-NH2 3.04Å; E8-R29 HydrophobicContact CB-CG 3.81Å; E8-R29 HydrophobicContact CG-CG 3.79Å |
| 9 | F | 96.8 | Very high | 90.4 | Very high | 3 Ų | 3 | 69.8 Ų | 69.8 | 1% | 0.013 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.8 | 176.1 | 178 | 75.2 | -77.3 | 0 | 0 | 0 | 112.7 | M1 E2 V4 R11 F24 K25 I38 F82 | M1-F9 CarbonylContact C-O 3.55Å; M1-F9 WeakPolarHBondContact CA-O 3.39Å; M1-F9 VanDerWaalsContact CE-C 3.5Å; E2-F9 HydrophobicContact CB-CD1 4.04Å; E2-F9 HydrophobicContact CB-CE1 3.51Å; E2-F9 HydrophobicContact CB-CE2 4.46Å; E2-F9 HydrophobicContact CB-CZ 3.75Å; E2-F9 PolarHBondContact N-O 2.88Å; E2-F9 WeakPolarHBondContact O-CD1 3.41Å; E2-F9 PolarHBondContact O-N 3.49Å; V4-F9 HydrophobicContact CG2-CD1 3.93Å; V4-F9 HydrophobicContact CG2-CE1 3.69Å; F9-R11 HydrophobicContact CE2-CG 4.16Å; F9-F24 HydrophobicContact CB-CB 4.38Å; F9-F24 HydrophobicContact CD2-CB 3.54Å; F9-F24 HydrophobicContact CD2-CD1 4.35Å; F9-F24 AromaticContact CD2-CD2 3.81Å; F9-F24 HydrophobicContact CD2-CD2 3.81Å; F9-F24 AromaticContact CD2-CG 3.64Å; F9-F24 HydrophobicContact CD2-CG 3.64Å; F9-F24 HydrophobicContact CE2-CB 4.21Å; F9-F24 HydrophobicContact CE2-CD1 4.47Å; F9-F24 AromaticContact CE2-CD2 3.55Å; F9-F24 HydrophobicContact CE2-CD2 3.55Å; F9-F24 AromaticContact CE2-CE2 3.98Å; F9-F24 HydrophobicContact CE2-CE2 3.98Å; F9-F24 AromaticContact CE2-CG 3.82Å; F9-F24 HydrophobicContact CE2-CG 3.82Å; F9-F24 HydrophobicContact CG-CB 4.28Å; F9-F24 HydrophobicContact CZ-CD2 4.48Å; F9-K25 WeakPolarHBondContact CB-O 3.42Å; F9-I38 HydrophobicContact CB-CD1 4.06Å; F9-I38 HydrophobicContact CD1-CD1 3.96Å; F9-I38 HydrophobicContact CD1-CG2 4.43Å; F9-I38 HydrophobicContact CG-CD1 4.3Å; F9-F82 HydrophobicContact CE1-CE1 4.15Å; F9-F82 HydrophobicContact CZ-CE1 4.03Å |
| 10 | S | 95.2 | Very high | 89.4 | Confident | 21 Ų | 21 | 70.2 Ų | 70.2 | 15% | 0.147 | 38% | 0.378 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.6 | 132.7 | 176.1 | 165.8 | 0 | 0 | 0 | 0 | 109.5 | K12 D13 | S10-K12 PolarHBondContact O-N 2.78Å; S10-K12 VanDerWaalsContact O-N 3.12Å; S10-K12 WeakPolarHBondContact OG-CB 3.41Å; S10-K12 PolarHBondContact OG-N 3.3Å; S10-D13 WeakPolarHBondContact CB-OD2 3.48Å; S10-D13 PolarHBondContact O-N 2.89Å; S10-D13 PolarHBondContact OG-OD1 3.36Å |
| 11 | R | 92.8 | Very high | 89.2 | Confident | 169 Ų | 169 | 67.5 Ų | 67.5 | 64% | 0.638 | 37% | 0.366 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -64.7 | -11.4 | 173.3 | -67.4 | -176.9 | -163.7 | -168.6 | 4.6 | 114 | E2 F9 D13 F24 | E2-R11 VanDerWaalsContact CD-NE 3.28Å; E2-R11 WeakPolarHBondContact OE1-CD 3.4Å; E2-R11 WeakPolarHBondContact OE1-CG 3.34Å; E2-R11 IonicContact OE1-CZ 2.94Å; E2-R11 IonicContact OE1-NE 2.81Å; E2-R11 PolarHBondContact OE1-NE 2.89Å; E2-R11 IonicContact OE1-NH2 3.33Å; E2-R11 IonicContact OE2-CZ 3.76Å; E2-R11 VanDerWaalsContact OE2-CZ 3.3Å; E2-R11 IonicContact OE2-NE 3.5Å; E2-R11 PolarHBondContact OE2-NE 2.98Å; E2-R11 IonicContact OE2-NH2 3.72Å; E2-R11 PolarHBondContact OE2-NH2 2.71Å; F9-R11 HydrophobicContact CE2-CG 4.16Å; R11-D13 VanDerWaalsContact C-N 3.35Å; R11-F24 HydrophobicContact CB-CE1 4.14Å; R11-F24 HydrophobicContact CG-CE1 4.29Å; R11-F24 HydrophobicContact CG-CZ 4.28Å |
| 12 | K | 92.6 | Very high | 89.4 | Confident | 189 Ų | 189 | 63.4 Ų | 63.4 | 82% | 0.822 | 35% | 0.348 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -76.7 | -26.1 | 171.9 | -58.1 | -177.5 | 177.7 | -177.5 | 0 | 111.9 | S10 L14 | S10-K12 PolarHBondContact O-N 2.78Å; S10-K12 VanDerWaalsContact O-N 3.12Å; S10-K12 WeakPolarHBondContact OG-CB 3.41Å; S10-K12 PolarHBondContact OG-N 3.3Å; K12-L14 PolarHBondContact O-N 3.31Å; K12-L14 VanDerWaalsContact O-N 3.1Å |
| 13 | D | 94 | Very high | 89.4 | Confident | 74 Ų | 74 | 61.9 Ų | 61.9 | 40% | 0.396 | 34% | 0.343 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 52.8 | -169.3 | -50.7 | -5.6 | 0 | 0 | 0 | 108.6 | S10 R11 F24 K25 | S10-D13 WeakPolarHBondContact CB-OD2 3.48Å; S10-D13 PolarHBondContact O-N 2.89Å; S10-D13 PolarHBondContact OG-OD1 3.36Å; R11-D13 VanDerWaalsContact C-N 3.35Å; D13-F24 CarbonylContact O-C 3.58Å; D13-F24 WeakPolarHBondContact O-CA 3.43Å; D13-K25 HydrophobicContact CB-CB 4.14Å; D13-K25 PolarHBondContact O-N 3.49Å |
| 14 | L | 93.6 | Very high | 89.5 | Confident | 94 Ų | 94 | 58.5 Ų | 58.5 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.1 | 129.5 | 179.8 | -179.3 | 66.7 | 0 | 0 | 0 | 110.1 | K12 G16 V22 F24 | K12-L14 PolarHBondContact O-N 3.31Å; K12-L14 VanDerWaalsContact O-N 3.1Å; L14-G16 WeakPolarHBondContact CD1-O 3.3Å; L14-V22 HydrophobicContact CD1-CG1 3.36Å; L14-F24 HydrophobicContact CB-CD1 4.47Å; L14-F24 HydrophobicContact CD1-CD1 4.21Å; L14-F24 HydrophobicContact CD1-CE1 3.94Å |
| 15 | V | 90.7 | Very high | 89.6 | Confident | 80 Ų | 80 | 60.6 Ų | 60.6 | 49% | 0.485 | 33% | 0.329 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.9 | -36.1 | 177.9 | 179.3 | 0 | 0 | 0 | 0 | 111.2 | V23 K25 Y87 | V15-V23 HydrophobicContact CB-CG1 4.43Å; V15-V23 PolarHBondContact N-O 2.87Å; V15-K25 HydrophobicContact CG2-CB 3.74Å; V15-Y87 HydrophobicContact CG2-CE2 4.2Å |
| 16 | G | 85.9 | Confident | 89.8 | Confident | 28 Ų | 28 | 59.2 Ų | 59.2 | 29% | 0.289 | 32% | 0.315 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -159.1 | 154.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | L14 V23 | L14-G16 WeakPolarHBondContact CD1-O 3.3Å; G16-V23 PolarHBondContact N-O 3.46Å; G16-V23 VanDerWaalsContact N-O 3.11Å; G16-V23 PolarHBondContact O-N 2.81Å |
| 17 | H | 82.4 | Confident | 89.9 | Confident | 148 Ų | 148 | 60.7 Ų | 60.7 | 69% | 0.685 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 123.8 | -179.9 | -175.7 | 78.9 | 0 | 0 | 0 | 109.9 | V22 | H17-V22 WeakPolarHBondContact ND1-CG2 3.42Å |
| 18 | G | 73.1 | Confident | 89.9 | Confident | 38 Ų | 38 | 61.1 Ų | 61.1 | 39% | 0.392 | 32% | 0.317 | S | S | . | . | trans | -133.4 | 171.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F20 A21 | G18-F20 PolarHBondContact O-N 2.9Å; G18-A21 PolarHBondContact N-O 2.98Å; G18-A21 PolarHBondContact O-N 2.98Å; G18-A21 VanDerWaalsContact O-O 3.05Å | ||
| 19 | A | 69.5 | Low | 89.9 | Confident | 54 Ų | 54 | 65.5 Ų | 65.5 | 45% | 0.446 | 33% | 0.332 | S | S | . | . | S | Bend | trans | -55.3 | -29 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | V358 | A19-V358 HydrophobicContact CB-CG1 3.92Å; A19-V358 HydrophobicContact CB-CG2 4.2Å |
| 20 | F | 71.3 | Confident | 89.8 | Confident | 76 Ų | 76 | 72.4 Ų | 72.4 | 33% | 0.333 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -112 | -16.4 | -177.2 | -47.3 | -61.6 | 0 | 0 | 0 | 113.8 | G18 I41 V356 V358 | G18-F20 PolarHBondContact O-N 2.9Å; F20-I41 WeakPolarHBondContact O-CG2 3.39Å; F20-V356 HydrophobicContact CE1-CG1 4.29Å; F20-V356 HydrophobicContact CE2-CG1 3.57Å; F20-V356 HydrophobicContact CZ-CG1 3.3Å; F20-V358 HydrophobicContact CE2-CG2 3.56Å; F20-V358 HydrophobicContact CZ-CG2 3.99Å |
| 21 | A | 84.7 | Confident | 89.8 | Confident | 15 Ų | 15 | 77.7 Ų | 77.7 | 12% | 0.124 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.5 | 146.7 | -164.6 | 0 | 0 | 0 | 0 | 0 | 113 | G18 K39 S40 I41 | G18-A21 PolarHBondContact N-O 2.98Å; G18-A21 PolarHBondContact O-N 2.98Å; G18-A21 VanDerWaalsContact O-O 3.05Å; A21-K39 HydrophobicContact CB-CD 4.35Å; A21-K39 HydrophobicContact CB-CG 3.83Å; A21-S40 WeakPolarHBondContact CA-O 3.27Å; A21-I41 HydrophobicContact CB-CD1 4.4Å; A21-I41 HydrophobicContact CB-CG1 3.84Å |
| 22 | V | 90.2 | Very high | 89.7 | Confident | 37 Ų | 37 | 73.3 Ų | 73.3 | 22% | 0.224 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 123.2 | 175.6 | -164 | 0 | 0 | 0 | 0 | 109 | L14 H17 F24 S40 | L14-V22 HydrophobicContact CD1-CG1 3.36Å; H17-V22 WeakPolarHBondContact ND1-CG2 3.42Å; V22-F24 HydrophobicContact CB-CE2 3.92Å; V22-F24 HydrophobicContact CB-CZ 4.06Å; V22-F24 HydrophobicContact CG1-CE1 4.02Å; V22-F24 HydrophobicContact CG1-CE2 3.74Å; V22-F24 HydrophobicContact CG1-CZ 3.44Å; V22-F24 VanDerWaalsContact CG1-CZ 3.44Å; V22-S40 PolarHBondContact N-O 2.86Å; V22-S40 PolarHBondContact O-N 3.09Å |
| 23 | V | 93.8 | Very high | 89.6 | Confident | 32 Ų | 32 | 70.9 Ų | 70.9 | 19% | 0.194 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 120.4 | -175 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | V15 G16 A37 I38 K39 | V15-V23 HydrophobicContact CB-CG1 4.43Å; V15-V23 PolarHBondContact N-O 2.87Å; G16-V23 PolarHBondContact N-O 3.46Å; G16-V23 VanDerWaalsContact N-O 3.11Å; G16-V23 PolarHBondContact O-N 2.81Å; V23-A37 HydrophobicContact CG1-CB 4.06Å; V23-I38 WeakPolarHBondContact CA-O 3.43Å; V23-K39 HydrophobicContact CG2-CB 4.14Å; V23-K39 HydrophobicContact CG2-CG 4.09Å |
| 24 | F | 96.6 | Very high | 89.6 | Confident | 22 Ų | 22 | 71.7 Ų | 71.7 | 10% | 0.096 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 151.3 | 176.9 | -57.2 | -81.5 | 0 | 0 | 0 | 111.1 | F9 R11 D13 L14 V22 I38 | F9-F24 HydrophobicContact CB-CB 4.38Å; F9-F24 HydrophobicContact CD2-CB 3.54Å; F9-F24 HydrophobicContact CD2-CD1 4.35Å; F9-F24 AromaticContact CD2-CD2 3.81Å; F9-F24 HydrophobicContact CD2-CD2 3.81Å; F9-F24 AromaticContact CD2-CG 3.64Å; F9-F24 HydrophobicContact CD2-CG 3.64Å; F9-F24 HydrophobicContact CE2-CB 4.21Å; F9-F24 HydrophobicContact CE2-CD1 4.47Å; F9-F24 AromaticContact CE2-CD2 3.55Å; F9-F24 HydrophobicContact CE2-CD2 3.55Å; F9-F24 AromaticContact CE2-CE2 3.98Å; F9-F24 HydrophobicContact CE2-CE2 3.98Å; F9-F24 AromaticContact CE2-CG 3.82Å; F9-F24 HydrophobicContact CE2-CG 3.82Å; F9-F24 HydrophobicContact CG-CB 4.28Å; F9-F24 HydrophobicContact CZ-CD2 4.48Å; R11-F24 HydrophobicContact CB-CE1 4.14Å; R11-F24 HydrophobicContact CG-CE1 4.29Å; R11-F24 HydrophobicContact CG-CZ 4.28Å; D13-F24 CarbonylContact O-C 3.58Å; D13-F24 WeakPolarHBondContact O-CA 3.43Å; L14-F24 HydrophobicContact CB-CD1 4.47Å; L14-F24 HydrophobicContact CD1-CD1 4.21Å; L14-F24 HydrophobicContact CD1-CE1 3.94Å; V22-F24 HydrophobicContact CB-CE2 3.92Å; V22-F24 HydrophobicContact CB-CZ 4.06Å; V22-F24 HydrophobicContact CG1-CE1 4.02Å; V22-F24 HydrophobicContact CG1-CE2 3.74Å; V22-F24 HydrophobicContact CG1-CZ 3.44Å; V22-F24 VanDerWaalsContact CG1-CZ 3.44Å; F24-I38 PolarHBondContact N-O 2.93Å; F24-I38 PolarHBondContact O-N 3.38Å |
| 25 | K | 97.1 | Very high | 89.7 | Confident | 51 Ų | 51 | 71 Ų | 71 | 22% | 0.222 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76 | 134.3 | 164.7 | -167.8 | 172.4 | -175 | 169.8 | 0 | 109.4 | F9 D13 V15 E35 Y87 | F9-K25 WeakPolarHBondContact CB-O 3.42Å; D13-K25 HydrophobicContact CB-CB 4.14Å; D13-K25 PolarHBondContact O-N 3.49Å; V15-K25 HydrophobicContact CG2-CB 3.74Å; K25-E35 WeakPolarHBondContact CE-OE1 3.29Å; K25-E35 WeakPolarHBondContact CE-OE2 3.29Å; K25-E35 IonicContact NZ-OE1 2.75Å; K25-E35 PolarHBondContact NZ-OE1 2.68Å; K25-E35 IonicContact NZ-OE2 3.24Å; K25-E35 PolarHBondContact NZ-OE2 2.93Å; K25-Y87 HydrophobicContact CB-CE2 4.46Å; K25-Y87 HydrophobicContact CD-CE1 4.07Å; K25-Y87 HydrophobicContact CD-CE2 3.92Å; K25-Y87 VanDerWaalsContact CE-CZ 3.49Å; K25-Y87 HydrophobicContact CG-CD2 4.23Å; K25-Y87 HydrophobicContact CG-CE2 3.99Å; K25-Y87 PolarHBondContact NZ-OH 2.8Å |
| 26 | G | 97 | Very high | 90 | Very high | 7 Ų | 7 | 67.2 Ų | 67.2 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139 | -173 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | E8 E35 V36 | E8-G26 CarbonylContact O-C 3.52Å; E8-G26 WeakPolarHBondContact O-CA 3.4Å; G26-E35 WeakPolarHBondContact O-CA 3.42Å; G26-V36 PolarHBondContact N-O 3.28Å; G26-V36 PolarHBondContact O-N 3.3Å |
| 27 | R | 96.8 | Very high | 90.6 | Very high | 95 Ų | 95 | 66.3 Ų | 66.3 | 36% | 0.358 | 33% | 0.325 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.7 | 161 | 177 | 64.2 | -169.9 | -179.1 | -174.4 | -0.3 | 111.6 | F7 E8 W34 | F7-R27 CarbonylContact C-O 3.12Å; F7-R27 WeakPolarHBondContact CA-O 3.22Å; E8-R27 HydrophobicContact CG-CG 3.95Å; E8-R27 PolarHBondContact N-O 2.85Å; E8-R27 PolarHBondContact O-N 3.25Å; E8-R27 IonicContact OE1-CZ 3.08Å; E8-R27 IonicContact OE1-NE 3.4Å; E8-R27 PolarHBondContact OE1-NE 2.95Å; E8-R27 IonicContact OE1-NH2 3.4Å; E8-R27 PolarHBondContact OE1-NH2 3.04Å; R27-W34 CarbonylContact C-O 3.6Å; R27-W34 WeakPolarHBondContact CA-O 3.4Å |
| 28 | H | 97.4 | Very high | 91.2 | Very high | 21 Ų | 21 | 59.3 Ų | 59.3 | 10% | 0.097 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.3 | 127.7 | 171.3 | -178.1 | -99.4 | 0 | 0 | 0 | 111.2 | D6 F7 K30 K31 T32 W34 | D6-H28 PolarHBondContact O-CD2 3.09Å; F7-H28 HydrophobicContact CD1-CB 3.9Å; F7-H28 HydrophobicContact CE1-CB 3.92Å; F7-H28 AromaticContact CE1-CD2 3.78Å; H28-K30 VanDerWaalsContact C-N 3.28Å; H28-K30 PolarHBondContact ND1-N 3.15Å; H28-K30 PolarHBondContact O-N 3.33Å; H28-K30 VanDerWaalsContact O-N 3.16Å; H28-K31 HydrophobicContact CB-CB 4.2Å; H28-K31 WeakPolarHBondContact ND1-CB 3.41Å; H28-K31 PolarHBondContact ND1-N 2.95Å; H28-K31 VanDerWaalsContact ND1-N 3.18Å; H28-K31 CarbonylContact O-C 3.6Å; H28-K31 PolarHBondContact O-N 2.91Å; H28-K31 VanDerWaalsContact O-O 3.13Å; H28-T32 PolarHBondContact O-N 2.93Å; H28-W34 HydrophobicContact CB-CB 4.12Å; H28-W34 HydrophobicContact CB-CD2 4.09Å; H28-W34 HydrophobicContact CB-CE3 3.59Å; H28-W34 HydrophobicContact CB-CG 4.33Å; H28-W34 HydrophobicContact CB-CZ3 4.33Å; H28-W34 AromaticContact CD2-CE3 3.92Å; H28-W34 AromaticContact CD2-CZ3 3.79Å; H28-W34 AromaticContact CG-CE3 3.68Å; H28-W34 PolarHBondContact N-O 3.22Å |
| 29 | R | 95.9 | Very high | 92.2 | Very high | 121 Ų | 121 | 58 Ų | 58 | 46% | 0.457 | 28% | 0.277 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -34.6 | -170.3 | -70.4 | 164.6 | 63.4 | -154.7 | -3.5 | 113.7 | G5 D6 F7 E8 | G5-R29 PolarHBondContact O-NH1 3.2Å; D6-R29 VanDerWaalsContact O-CB 3.27Å; D6-R29 WeakPolarHBondContact O-CB 3.4Å; D6-R29 VanDerWaalsContact O-CG 3.3Å; D6-R29 WeakPolarHBondContact O-CG 3.47Å; D6-R29 PolarHBondContact O-N 3.11Å; F7-R29 WeakPolarHBondContact O-CD 3.38Å; E8-R29 HydrophobicContact CB-CG 3.81Å; E8-R29 HydrophobicContact CG-CG 3.79Å |
| 30 | K | 94.8 | Very high | 93.2 | Very high | 149 Ų | 149 | 56.4 Ų | 56.4 | 65% | 0.648 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.5 | -6.8 | 178.7 | -54.2 | 160.5 | -177.9 | 141.6 | 0 | 113.6 | D6 H28 | D6-K30 WeakPolarHBondContact OD1-CE 3.43Å; D6-K30 IonicContact OD1-NZ 2.71Å; D6-K30 PolarHBondContact OD1-NZ 3.19Å; D6-K30 IonicContact OD2-NZ 2.98Å; D6-K30 PolarHBondContact OD2-NZ 3.18Å; H28-K30 VanDerWaalsContact C-N 3.28Å; H28-K30 PolarHBondContact ND1-N 3.15Å; H28-K30 PolarHBondContact O-N 3.33Å; H28-K30 VanDerWaalsContact O-N 3.16Å |
| 31 | K | 95.1 | Very high | 94 | Very high | 132 Ų | 132 | 53.2 Ų | 53.2 | 57% | 0.574 | 25% | 0.248 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -139.9 | 75.7 | -177.1 | -65.4 | -178.1 | 176.1 | -179.6 | 0 | 108.2 | H28 E33 W34 | H28-K31 HydrophobicContact CB-CB 4.2Å; H28-K31 WeakPolarHBondContact ND1-CB 3.41Å; H28-K31 PolarHBondContact ND1-N 2.95Å; H28-K31 VanDerWaalsContact ND1-N 3.18Å; H28-K31 CarbonylContact O-C 3.6Å; H28-K31 PolarHBondContact O-N 2.91Å; H28-K31 VanDerWaalsContact O-O 3.13Å; K31-E33 PolarHBondContact O-N 3.18Å; K31-E33 VanDerWaalsContact O-N 3.1Å; K31-W34 HydrophobicContact CB-CB 4.25Å; K31-W34 HydrophobicContact CD-CE3 4.3Å; K31-W34 WeakPolarHBondContact O-CB 3.48Å; K31-W34 PolarHBondContact O-N 3.49Å |
| 32 | T | 91.1 | Very high | 93.9 | Very high | 77 Ų | 77 | 55.8 Ų | 55.8 | 47% | 0.472 | 26% | 0.26 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.7 | -18.2 | -168.4 | 46.4 | 0 | 0 | 0 | 0 | 114.8 | H28 | H28-T32 PolarHBondContact O-N 2.93Å |
| 33 | E | 90.1 | Very high | 93.4 | Very high | 138 Ų | 138 | 56.8 Ų | 56.8 | 65% | 0.645 | 26% | 0.261 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.8 | -12.7 | 171.8 | -57 | -153.4 | 124.8 | 0 | 0 | 114.1 | K31 E35 R144 | K31-E33 PolarHBondContact O-N 3.18Å; K31-E33 VanDerWaalsContact O-N 3.1Å; E33-E35 PolarHBondContact O-N 2.96Å; E33-E35 VanDerWaalsContact O-N 3.16Å; E33-R144 IonicContact OE1-CZ 2.76Å; E33-R144 IonicContact OE1-NH1 3.32Å; E33-R144 PolarHBondContact OE1-NH1 3.43Å; E33-R144 VanDerWaalsContact OE1-NH1 3.08Å; E33-R144 IonicContact OE1-NH2 2.65Å; E33-R144 PolarHBondContact OE1-NH2 2.97Å; E33-R144 IonicContact OE2-NH2 3.8Å; E33-R144 PolarHBondContact OE2-NH2 3.33Å |
| 34 | W | 94.4 | Very high | 92.4 | Very high | 91 Ų | 91 | 63.9 Ų | 63.9 | 35% | 0.345 | 29% | 0.29 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.7 | 90.2 | 172.9 | -176.8 | 11.9 | 0 | 0 | 0 | 109.2 | F7 R27 H28 K31 Y72 | F7-W34 HydrophobicContact CE1-CE3 4.45Å; F7-W34 HydrophobicContact CE1-CH2 4.24Å; F7-W34 HydrophobicContact CE1-CZ2 4.35Å; F7-W34 HydrophobicContact CE1-CZ3 4.29Å; F7-W34 HydrophobicContact CZ-CH2 4.13Å; F7-W34 HydrophobicContact CZ-CZ2 4.47Å; F7-W34 HydrophobicContact CZ-CZ3 4.41Å; R27-W34 CarbonylContact C-O 3.6Å; R27-W34 WeakPolarHBondContact CA-O 3.4Å; H28-W34 HydrophobicContact CB-CB 4.12Å; H28-W34 HydrophobicContact CB-CD2 4.09Å; H28-W34 HydrophobicContact CB-CE3 3.59Å; H28-W34 HydrophobicContact CB-CG 4.33Å; H28-W34 HydrophobicContact CB-CZ3 4.33Å; H28-W34 AromaticContact CD2-CE3 3.92Å; H28-W34 AromaticContact CD2-CZ3 3.79Å; H28-W34 AromaticContact CG-CE3 3.68Å; H28-W34 PolarHBondContact N-O 3.22Å; K31-W34 HydrophobicContact CB-CB 4.25Å; K31-W34 HydrophobicContact CD-CE3 4.3Å; K31-W34 WeakPolarHBondContact O-CB 3.48Å; K31-W34 PolarHBondContact O-N 3.49Å; W34-Y72 HydrophobicContact CZ2-CD1 4.31Å; W34-Y72 AromaticContact CZ2-CD2 3.94Å; W34-Y72 HydrophobicContact CZ2-CD2 3.94Å; W34-Y72 HydrophobicContact CZ2-CE1 4.36Å; W34-Y72 AromaticContact CZ2-CE2 3.98Å; W34-Y72 HydrophobicContact CZ2-CE2 3.98Å; W34-Y72 HydrophobicContact CZ2-CG 4.11Å; W34-Y72 AromaticContact NE1-CE2 3.5Å; W34-Y72 AromaticContact NE1-CZ 3.84Å |
| 35 | E | 95.7 | Very high | 90.6 | Very high | 80 Ų | 80 | 67.5 Ų | 67.5 | 37% | 0.374 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.5 | 142.3 | 176.1 | -50.4 | -165.5 | 130.9 | 0 | 0 | 111.3 | K25 G26 E33 Y87 | K25-E35 WeakPolarHBondContact CE-OE1 3.29Å; K25-E35 WeakPolarHBondContact CE-OE2 3.29Å; K25-E35 IonicContact NZ-OE1 2.75Å; K25-E35 PolarHBondContact NZ-OE1 2.68Å; K25-E35 IonicContact NZ-OE2 3.24Å; K25-E35 PolarHBondContact NZ-OE2 2.93Å; G26-E35 WeakPolarHBondContact O-CA 3.42Å; E33-E35 PolarHBondContact O-N 2.96Å; E33-E35 VanDerWaalsContact O-N 3.16Å; E35-Y87 HydrophobicContact CB-CD1 3.74Å; E35-Y87 HydrophobicContact CB-CG 4.14Å; E35-Y87 VanDerWaalsContact OE2-CD1 3.24Å; E35-Y87 WeakPolarHBondContact OE2-CD1 3.42Å; E35-Y87 WeakPolarHBondContact OE2-CE1 3.33Å |
| 36 | V | 97.2 | Very high | 89 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.4 | 153.5 | 179.3 | -63.7 | 0 | 0 | 0 | 0 | 111.3 | F7 G26 I38 Y72 V84 M85 | F7-V36 HydrophobicContact CB-CG2 4.43Å; F7-V36 HydrophobicContact CD1-CB 4.43Å; F7-V36 HydrophobicContact CD1-CG1 3.78Å; F7-V36 HydrophobicContact CD1-CG2 3.86Å; F7-V36 HydrophobicContact CE1-CG1 3.7Å; F7-V36 HydrophobicContact CG-CG2 4.44Å; G26-V36 PolarHBondContact N-O 3.28Å; G26-V36 PolarHBondContact O-N 3.3Å; V36-I38 HydrophobicContact CG2-CD1 4.2Å; V36-I38 HydrophobicContact CG2-CG1 3.99Å; V36-Y72 HydrophobicContact CG1-CD2 3.85Å; V36-Y72 HydrophobicContact CG1-CE2 3.92Å; V36-V84 HydrophobicContact CB-CG1 3.87Å; V36-V84 HydrophobicContact CG1-CG1 4.03Å; V36-V84 HydrophobicContact CG2-CG1 3.91Å; V36-M85 CarbonylContact C-O 3.57Å; V36-M85 WeakPolarHBondContact CA-O 3.34Å; V36-M85 WeakPolarHBondContact CB-O 3.43Å |
| 37 | A | 97.6 | Very high | 87.1 | Confident | 9 Ų | 9 | 70.5 Ų | 70.5 | 7% | 0.074 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 124.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 109 | V23 M85 Y87 | V23-A37 HydrophobicContact CG1-CB 4.06Å; A37-M85 HydrophobicContact CB-CB 4.47Å; A37-M85 HydrophobicContact CB-CE 4.46Å; A37-M85 PolarHBondContact N-O 2.8Å; A37-M85 PolarHBondContact O-N 2.85Å; A37-Y87 HydrophobicContact CB-CD2 4.49Å |
| 38 | I | 96.3 | Very high | 85 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 104 | -179.9 | -56.2 | -164.6 | 0 | 0 | 0 | 109.2 | V4 F7 F9 V23 F24 V36 S40 F82 L83 V84 | V4-I38 HydrophobicContact CB-CD1 4.22Å; V4-I38 HydrophobicContact CG2-CD1 4.22Å; V4-I38 HydrophobicContact CG2-CG2 4.3Å; F7-I38 HydrophobicContact CB-CD1 4.21Å; F9-I38 HydrophobicContact CB-CD1 4.06Å; F9-I38 HydrophobicContact CD1-CD1 3.96Å; F9-I38 HydrophobicContact CD1-CG2 4.43Å; F9-I38 HydrophobicContact CG-CD1 4.3Å; V23-I38 WeakPolarHBondContact CA-O 3.43Å; F24-I38 PolarHBondContact N-O 2.93Å; F24-I38 PolarHBondContact O-N 3.38Å; V36-I38 HydrophobicContact CG2-CD1 4.2Å; V36-I38 HydrophobicContact CG2-CG1 3.99Å; I38-S40 PolarHBondContact O-N 2.93Å; I38-F82 HydrophobicContact CG2-CB 4.26Å; I38-F82 HydrophobicContact CG2-CD1 3.89Å; I38-L83 WeakPolarHBondContact CA-O 3.47Å; I38-V84 HydrophobicContact CD1-CG2 4.31Å; I38-V84 HydrophobicContact CG1-CG1 4.44Å; I38-V84 HydrophobicContact CG1-CG2 4.41Å |
| 39 | K | 93.3 | Very high | 83.1 | Confident | 12 Ų | 12 | 73.1 Ų | 73.1 | 5% | 0.052 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 104.2 | 175.8 | -175.7 | -174.5 | -167.2 | -173.4 | 0 | 108.6 | A21 V23 I41 E56 F82 L83 M85 D158 | A21-K39 HydrophobicContact CB-CD 4.35Å; A21-K39 HydrophobicContact CB-CG 3.83Å; V23-K39 HydrophobicContact CG2-CB 4.14Å; V23-K39 HydrophobicContact CG2-CG 4.09Å; K39-I41 HydrophobicContact CD-CD1 4.17Å; K39-I41 HydrophobicContact CG-CD1 4.16Å; K39-I41 HydrophobicContact CG-CG1 4.2Å; K39-E56 IonicContact NZ-OE1 2.75Å; K39-E56 PolarHBondContact NZ-OE1 2.67Å; K39-E56 IonicContact NZ-OE2 3.39Å; K39-E56 PolarHBondContact NZ-OE2 3.32Å; K39-F82 WeakPolarHBondContact O-CA 3.16Å; K39-L83 HydrophobicContact CB-CB 4.25Å; K39-L83 PolarHBondContact N-O 2.77Å; K39-L83 PolarHBondContact O-N 3.37Å; K39-M85 HydrophobicContact CB-CE 3.68Å; K39-M85 HydrophobicContact CB-SD 4.44Å; K39-M85 HydrophobicContact CD-CE 4.28Å; K39-D158 IonicContact NZ-OD1 3.24Å; K39-D158 PolarHBondContact NZ-OD1 2.98Å |
| 40 | S | 91.5 | Very high | 81.7 | Confident | 20 Ų | 20 | 73.3 Ų | 73.3 | 14% | 0.14 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 129.1 | 178.9 | -178.6 | 0 | 0 | 0 | 0 | 110.8 | A21 V22 I38 F82 | A21-S40 WeakPolarHBondContact CA-O 3.27Å; V22-S40 PolarHBondContact N-O 2.86Å; V22-S40 PolarHBondContact O-N 3.09Å; I38-S40 PolarHBondContact O-N 2.93Å; S40-F82 VanDerWaalsContact OG-CE1 3.27Å; S40-F82 WeakPolarHBondContact OG-CE1 3.45Å |
| 41 | I | 87.4 | Confident | 80.3 | Confident | 8 Ų | 8 | 70.8 Ų | 70.8 | 4% | 0.041 | 35% | 0.349 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.2 | 119.6 | -170.4 | -57.5 | 177 | 0 | 0 | 0 | 108.6 | F20 A21 K39 L46 L53 S80 V81 | F20-I41 WeakPolarHBondContact O-CG2 3.39Å; A21-I41 HydrophobicContact CB-CD1 4.4Å; A21-I41 HydrophobicContact CB-CG1 3.84Å; K39-I41 HydrophobicContact CD-CD1 4.17Å; K39-I41 HydrophobicContact CG-CD1 4.16Å; K39-I41 HydrophobicContact CG-CG1 4.2Å; I41-L46 HydrophobicContact CG2-CD1 4.02Å; I41-L46 HydrophobicContact CG2-CD2 3.5Å; I41-L46 VanDerWaalsContact CG2-CD2 3.5Å; I41-L46 HydrophobicContact CG2-CG 3.9Å; I41-L53 HydrophobicContact CD1-CD1 3.53Å; I41-L53 HydrophobicContact CD1-CD2 4.33Å; I41-L53 HydrophobicContact CG2-CD2 4.2Å; I41-S80 CarbonylContact O-C 3.57Å; I41-S80 WeakPolarHBondContact O-CA 3.27Å; I41-S80 WeakPolarHBondContact O-CB 3.24Å; I41-V81 PolarHBondContact N-O 2.93Å; I41-V81 PolarHBondContact O-N 2.93Å |
| 42 | N | 83.3 | Confident | 79.1 | Confident | 69 Ų | 69 | 65.3 Ų | 65.3 | 37% | 0.369 | 33% | 0.326 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.5 | 121.7 | -169 | -177.6 | -15.6 | 0 | 0 | 0 | 112.2 | K44 N45 L46 S79 | N42-K44 PolarHBondContact O-N 2.98Å; N42-K44 WeakPolarHBondContact OD1-CB 3.39Å; N42-K44 PolarHBondContact OD1-N 3.28Å; N42-N45 PolarHBondContact O-N 3.13Å; N42-L46 PolarHBondContact O-N 2.82Å; N42-S79 PolarHBondContact OD1-O 2.96Å |
| 43 | K | 79.3 | Confident | 78.6 | Confident | 59 Ų | 59 | 62.2 Ų | 62.2 | 26% | 0.257 | 31% | 0.306 | S | S | . | . | G | 310 helix | trans | -60.3 | -27 | -178.5 | -78.7 | 177.6 | 164.3 | -174 | 0 | 114.4 | N45 L46 E76 T77 P78 S79 | K43-N45 PolarHBondContact O-N 3.48Å; K43-L46 HydrophobicContact CG-CD1 3.92Å; K43-L46 PolarHBondContact O-N 3.4Å; K43-L46 VanDerWaalsContact O-N 3.1Å; K43-E76 WeakPolarHBondContact CE-OE1 3.43Å; K43-E76 VanDerWaalsContact NZ-CG 3.31Å; K43-E76 IonicContact NZ-OE1 3.45Å; K43-E76 PolarHBondContact NZ-OE1 3.04Å; K43-T77 WeakPolarHBondContact CD-O 3.28Å; K43-T77 VanDerWaalsContact CE-O 3.24Å; K43-T77 WeakPolarHBondContact CE-O 3.21Å; K43-T77 PolarHBondContact NZ-O 3.23Å; K43-P78 WeakPolarHBondContact CD-O 3.44Å; K43-S79 WeakPolarHBondContact CB-O 3.48Å; K43-S79 PolarHBondContact N-O 3.05Å |
| 44 | K | 72.6 | Confident | 78.3 | Confident | 181 Ų | 181 | 57.6 Ų | 57.6 | 79% | 0.787 | 30% | 0.295 | S | S | * | . | G | 310 helix | trans | -64.1 | -22.1 | 175 | -62 | -170.6 | 177.8 | -171.8 | 0 | 112.9 | N42 | N42-K44 PolarHBondContact O-N 2.98Å; N42-K44 WeakPolarHBondContact OD1-CB 3.39Å; N42-K44 PolarHBondContact OD1-N 3.28Å |
| 45 | N | 59.5 | Low | 77.7 | Confident | 97 Ų | 97 | 56.2 Ų | 56.2 | 52% | 0.519 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -102.2 | -5.6 | 177.2 | -59.5 | 10.9 | 0 | 0 | 0 | 112.2 | N42 K43 S47 | N42-N45 PolarHBondContact O-N 3.13Å; K43-N45 PolarHBondContact O-N 3.48Å; N45-S47 PolarHBondContact O-N 2.77Å |
| 46 | L | 62 | Low | 77.3 | Confident | 7 Ų | 7 | 52.7 Ų | 52.7 | 4% | 0.037 | 28% | 0.276 | C | S | . | . | G | 310 helix | trans | -82.7 | -2.2 | -171.8 | -82.2 | -177.1 | 0 | 0 | 0 | 115.3 | I41 N42 K43 K48 S49 Q50 L53 V81 | I41-L46 HydrophobicContact CG2-CD1 4.02Å; I41-L46 HydrophobicContact CG2-CD2 3.5Å; I41-L46 VanDerWaalsContact CG2-CD2 3.5Å; I41-L46 HydrophobicContact CG2-CG 3.9Å; N42-L46 PolarHBondContact O-N 2.82Å; K43-L46 HydrophobicContact CG-CD1 3.92Å; K43-L46 PolarHBondContact O-N 3.4Å; K43-L46 VanDerWaalsContact O-N 3.1Å; L46-K48 PolarHBondContact O-N 2.98Å; L46-S49 CarbonylContact O-C 3.58Å; L46-S49 PolarHBondContact O-N 2.65Å; L46-Q50 HydrophobicContact CB-CB 4.37Å; L46-Q50 WeakPolarHBondContact O-CB 3.23Å; L46-Q50 PolarHBondContact O-N 3.36Å; L46-L53 HydrophobicContact CD1-CD2 3.69Å; L46-L53 HydrophobicContact CD2-CB 4.5Å; L46-L53 HydrophobicContact CD2-CD2 4.11Å; L46-V81 HydrophobicContact CD1-CG2 4.11Å |
| 47 | S | 57.8 | Low | 77 | Confident | 114 Ų | 114 | 54 Ų | 54 | 80% | 0.797 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -59.7 | -21.7 | -177.7 | 55.2 | 0 | 0 | 0 | 0 | 114.6 | N45 | N45-S47 PolarHBondContact O-N 2.77Š|
| 48 | K | 52.3 | Low | 76.7 | Confident | 165 Ų | 165 | 58.7 Ų | 58.7 | 72% | 0.717 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -107.3 | -0.3 | 170.1 | -66.3 | -170 | 174.9 | -170 | 0 | 114.5 | L46 | L46-K48 PolarHBondContact O-N 2.98Š|
| 49 | S | 57.6 | Low | 76.5 | Confident | 7 Ų | 7 | 58.8 Ų | 58.8 | 5% | 0.049 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -131.5 | -4.6 | -167.9 | -54.4 | 0 | 0 | 0 | 0 | 113.8 | L46 I51 L52 L53 | L46-S49 CarbonylContact O-C 3.58Å; L46-S49 PolarHBondContact O-N 2.65Å; S49-I51 VanDerWaalsContact C-N 3.26Å; S49-I51 PolarHBondContact O-N 3.17Å; S49-L52 PolarHBondContact O-N 2.79Å; S49-L53 WeakPolarHBondContact O-CB 3.38Å; S49-L53 PolarHBondContact O-N 2.79Å |
| 50 | Q | 66.7 | Low | 76.5 | Confident | 124 Ų | 124 | 58.6 Ų | 58.6 | 58% | 0.579 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.3 | -34.8 | 177.3 | -170.9 | 172.5 | 6.2 | 0 | 0 | 111.7 | L46 G54 | L46-Q50 HydrophobicContact CB-CB 4.37Å; L46-Q50 WeakPolarHBondContact O-CB 3.23Å; L46-Q50 PolarHBondContact O-N 3.36Å; Q50-G54 PolarHBondContact O-N 2.7Å |
| 51 | I | 66.4 | Low | 76.5 | Confident | 96 Ų | 96 | 63.6 Ų | 63.6 | 49% | 0.492 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.1 | -49.6 | 173.9 | -64.8 | 176.2 | 0 | 0 | 0 | 110.5 | S49 L53 G54 K55 | S49-I51 VanDerWaalsContact C-N 3.26Å; S49-I51 PolarHBondContact O-N 3.17Å; I51-L53 VanDerWaalsContact C-N 3.33Å; I51-L53 PolarHBondContact O-N 2.81Å; I51-G54 PolarHBondContact O-N 3.08Å; I51-K55 HydrophobicContact CG2-CD 4.03Å; I51-K55 VanDerWaalsContact CG2-NZ 3.3Å; I51-K55 VanDerWaalsContact O-CG 3.31Å; I51-K55 WeakPolarHBondContact O-CG 3.05Å; I51-K55 PolarHBondContact O-N 3.16Å |
| 52 | L | 69.9 | Low | 76.7 | Confident | 18 Ų | 18 | 67 Ų | 67 | 9% | 0.094 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.9 | -41.2 | 176 | -64.7 | 177 | 0 | 0 | 0 | 112.1 | S49 K55 E56 V356 | S49-L52 PolarHBondContact O-N 2.79Å; L52-K55 WeakPolarHBondContact O-CB 2.98Å; L52-K55 PolarHBondContact O-N 3.1Å; L52-E56 PolarHBondContact O-N 3.4Å; L52-V356 HydrophobicContact CD1-CB 4.41Å; L52-V356 HydrophobicContact CD1-CG2 3.79Å |
| 53 | L | 80.4 | Confident | 77.1 | Confident | 11 Ų | 11 | 63.9 Ų | 63.9 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -65.2 | -41.7 | 176.7 | 178.6 | 56.5 | 0 | 0 | 0 | 112.4 | I41 L46 S49 I51 K55 E56 I57 V81 L83 | I41-L53 HydrophobicContact CD1-CD1 3.53Å; I41-L53 HydrophobicContact CD1-CD2 4.33Å; I41-L53 HydrophobicContact CG2-CD2 4.2Å; L46-L53 HydrophobicContact CD1-CD2 3.69Å; L46-L53 HydrophobicContact CD2-CB 4.5Å; L46-L53 HydrophobicContact CD2-CD2 4.11Å; S49-L53 WeakPolarHBondContact O-CB 3.38Å; S49-L53 PolarHBondContact O-N 2.79Å; I51-L53 VanDerWaalsContact C-N 3.33Å; I51-L53 PolarHBondContact O-N 2.81Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.04Å; L53-E56 PolarHBondContact O-N 2.88Å; L53-I57 HydrophobicContact CD1-CD1 3.77Å; L53-I57 HydrophobicContact CD1-CG1 4.08Å; L53-I57 HydrophobicContact CG-CD1 3.82Å; L53-I57 WeakPolarHBondContact O-CB 3.22Å; L53-I57 WeakPolarHBondContact O-CD1 3.44Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.16Å; L53-I57 PolarHBondContact O-N 2.72Å; L53-V81 HydrophobicContact CD2-CB 3.78Å; L53-V81 HydrophobicContact CD2-CG1 4.04Å; L53-V81 HydrophobicContact CD2-CG2 3.75Å; L53-L83 HydrophobicContact CD1-CD1 3.89Å |
| 54 | G | 82.6 | Confident | 77.7 | Confident | 41 Ų | 41 | 69.2 Ų | 69.2 | 42% | 0.423 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -61.5 | -38.8 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q50 I51 K58 | Q50-G54 PolarHBondContact O-N 2.7Å; I51-G54 PolarHBondContact O-N 3.08Å; G54-K58 WeakPolarHBondContact O-CB 3.02Å; G54-K58 PolarHBondContact O-N 2.78Å; G54-K58 VanDerWaalsContact O-N 3.09Å |
| 55 | K | 82.5 | Confident | 78.9 | Confident | 62 Ų | 62 | 63.4 Ų | 63.4 | 27% | 0.27 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.7 | -49 | 173.6 | -68.7 | 165.2 | -177.7 | 175.9 | 0 | 111.2 | I51 L52 L53 K58 I59 D354 | I51-K55 HydrophobicContact CG2-CD 4.03Å; I51-K55 VanDerWaalsContact CG2-NZ 3.3Å; I51-K55 VanDerWaalsContact O-CG 3.31Å; I51-K55 WeakPolarHBondContact O-CG 3.05Å; I51-K55 PolarHBondContact O-N 3.16Å; L52-K55 WeakPolarHBondContact O-CB 2.98Å; L52-K55 PolarHBondContact O-N 3.1Å; L53-K55 VanDerWaalsContact C-N 3.3Å; L53-K55 PolarHBondContact O-N 3.04Å; K55-K58 PolarHBondContact O-N 3.24Å; K55-I59 WeakPolarHBondContact O-CB 3.39Å; K55-I59 VanDerWaalsContact O-CG1 3.29Å; K55-I59 WeakPolarHBondContact O-CG1 3.37Å; K55-I59 PolarHBondContact O-N 2.88Å; K55-D354 IonicContact NZ-OD2 2.71Å; K55-D354 PolarHBondContact NZ-OD2 3.09Å |
| 56 | E | 88.3 | Confident | 80.6 | Confident | 7 Ų | 7 | 63.5 Ų | 63.5 | 3% | 0.033 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.2 | -50.8 | 176.8 | 178.5 | 173.6 | -161.7 | 0 | 0 | 111.7 | K39 L52 L53 K58 I59 L60 L83 F159 | K39-E56 IonicContact NZ-OE1 2.75Å; K39-E56 PolarHBondContact NZ-OE1 2.67Å; K39-E56 IonicContact NZ-OE2 3.39Å; K39-E56 PolarHBondContact NZ-OE2 3.32Å; L52-E56 PolarHBondContact O-N 3.4Å; L53-E56 PolarHBondContact O-N 2.88Å; E56-K58 VanDerWaalsContact C-N 3.32Å; E56-K58 PolarHBondContact O-N 3.21Å; E56-I59 PolarHBondContact O-N 3.12Å; E56-L60 HydrophobicContact CG-CD1 3.78Å; E56-L60 HydrophobicContact CG-CG 4.37Å; E56-L60 WeakPolarHBondContact O-CB 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 2.68Å; E56-L83 HydrophobicContact CG-CD2 4.36Å; E56-F159 HydrophobicContact CG-CB 4.18Å |
| 57 | I | 89.8 | Confident | 82.3 | Confident | 26 Ų | 26 | 63.2 Ų | 63.2 | 13% | 0.133 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -60.8 | -40.7 | 179.3 | -69.3 | 160.4 | 0 | 0 | 0 | 111.4 | L53 K61 V74 V81 L83 | L53-I57 HydrophobicContact CD1-CD1 3.77Å; L53-I57 HydrophobicContact CD1-CG1 4.08Å; L53-I57 HydrophobicContact CG-CD1 3.82Å; L53-I57 WeakPolarHBondContact O-CB 3.22Å; L53-I57 WeakPolarHBondContact O-CD1 3.44Å; L53-I57 VanDerWaalsContact O-CG1 3.29Å; L53-I57 WeakPolarHBondContact O-CG1 3.16Å; L53-I57 PolarHBondContact O-N 2.72Å; I57-K61 HydrophobicContact CG2-CD 4.12Å; I57-K61 WeakPolarHBondContact O-CB 3.5Å; I57-K61 VanDerWaalsContact O-CG 3.27Å; I57-K61 WeakPolarHBondContact O-CG 3.27Å; I57-K61 PolarHBondContact O-N 2.95Å; I57-V74 HydrophobicContact CD1-CG1 3.92Å; I57-V74 HydrophobicContact CG1-CG1 4.39Å; I57-V74 HydrophobicContact CG1-CG2 4.36Å; I57-V74 HydrophobicContact CG2-CG2 4.05Å; I57-V81 HydrophobicContact CD1-CG1 4.48Å; I57-L83 HydrophobicContact CD1-CD1 4.07Å; I57-L83 HydrophobicContact CG1-CD1 3.94Å; I57-L83 HydrophobicContact CG1-CD2 4.14Å; I57-L83 HydrophobicContact CG1-CG 4.21Å |
| 58 | K | 91.8 | Very high | 84.2 | Confident | 109 Ų | 109 | 57.9 Ų | 57.9 | 47% | 0.474 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.9 | -49.9 | 177.2 | -176 | -173.3 | 168.6 | -170.3 | 0 | 110.9 | G54 K55 E56 L60 K61 E62 Y164 | G54-K58 WeakPolarHBondContact O-CB 3.02Å; G54-K58 PolarHBondContact O-N 2.78Å; G54-K58 VanDerWaalsContact O-N 3.09Å; K55-K58 PolarHBondContact O-N 3.24Å; E56-K58 VanDerWaalsContact C-N 3.32Å; E56-K58 PolarHBondContact O-N 3.21Å; K58-L60 PolarHBondContact O-N 2.96Å; K58-K61 PolarHBondContact O-N 3.11Å; K58-E62 WeakPolarHBondContact CE-OE1 3.49Å; K58-E62 IonicContact NZ-OE1 3.66Å; K58-E62 PolarHBondContact O-N 2.84Å; K58-Y164 HydrophobicContact CD-CE2 4.11Å; K58-Y164 WeakPolarHBondContact CE-OH 3.27Å |
| 59 | I | 92.8 | Very high | 86.3 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -61.1 | -47.2 | -177.7 | -71.9 | 168.4 | 0 | 0 | 0 | 110.7 | K55 E56 K61 E62 L63 V127 F159 A162 Y164 | K55-I59 WeakPolarHBondContact O-CB 3.39Å; K55-I59 VanDerWaalsContact O-CG1 3.29Å; K55-I59 WeakPolarHBondContact O-CG1 3.37Å; K55-I59 PolarHBondContact O-N 2.88Å; E56-I59 PolarHBondContact O-N 3.12Å; I59-K61 VanDerWaalsContact C-N 3.29Å; I59-K61 PolarHBondContact O-N 3.48Å; I59-E62 PolarHBondContact O-N 2.89Å; I59-E62 VanDerWaalsContact O-N 3.11Å; I59-L63 HydrophobicContact CG2-CD1 3.5Å; I59-L63 HydrophobicContact CG2-CG 4.19Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 WeakPolarHBondContact O-CG 3.35Å; I59-L63 PolarHBondContact O-N 2.9Å; I59-V127 HydrophobicContact CD1-CG1 4.46Å; I59-V127 HydrophobicContact CG2-CG1 3.91Å; I59-F159 HydrophobicContact CG2-CB 4.49Å; I59-F159 HydrophobicContact CG2-CD1 3.66Å; I59-F159 HydrophobicContact CG2-CE1 4.32Å; I59-F159 HydrophobicContact CG2-CG 4.38Å; I59-A162 HydrophobicContact CD1-CB 3.81Å; I59-A162 HydrophobicContact CG2-CB 4.36Å; I59-Y164 HydrophobicContact CD1-CD2 4.41Å; I59-Y164 HydrophobicContact CD1-CE2 4.1Å; I59-Y164 HydrophobicContact CG1-CD2 4.3Å; I59-Y164 HydrophobicContact CG1-CE2 3.53Å |
| 60 | L | 91.8 | Very high | 88.2 | Confident | 9 Ų | 9 | 51.7 Ų | 51.7 | 5% | 0.047 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.2 | -27.2 | 177.5 | -73.7 | 174.8 | 0 | 0 | 0 | 113.9 | E56 K58 L71 L83 F159 | E56-L60 HydrophobicContact CG-CD1 3.78Å; E56-L60 HydrophobicContact CG-CG 4.37Å; E56-L60 WeakPolarHBondContact O-CB 3.26Å; E56-L60 WeakPolarHBondContact O-CG 3.4Å; E56-L60 PolarHBondContact O-N 2.68Å; K58-L60 PolarHBondContact O-N 2.96Å; L60-L71 HydrophobicContact CB-CB 3.98Å; L60-L71 HydrophobicContact CB-CD2 3.74Å; L60-L71 HydrophobicContact CB-CG 4.48Å; L60-L71 HydrophobicContact CD1-CD2 4.44Å; L60-L83 HydrophobicContact CD1-CD2 4.24Å; L60-F159 HydrophobicContact CD2-CB 4.26Å; L60-F159 HydrophobicContact CD2-CD2 3.55Å; L60-F159 HydrophobicContact CD2-CE2 4.06Å; L60-F159 HydrophobicContact CD2-CG 3.95Å; L60-F159 HydrophobicContact CG-CB 4.23Å; L60-F159 HydrophobicContact CG-CD2 4.43Å; L60-F159 HydrophobicContact CG-CG 4.43Å |
| 61 | K | 91.5 | Very high | 89.6 | Confident | 125 Ų | 125 | 47.3 Ų | 47.3 | 54% | 0.543 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -72.6 | -30.2 | 172.7 | -78.1 | 175.7 | 177.9 | -179.5 | 0 | 112.9 | I57 K58 I59 L71 | I57-K61 HydrophobicContact CG2-CD 4.12Å; I57-K61 WeakPolarHBondContact O-CB 3.5Å; I57-K61 VanDerWaalsContact O-CG 3.27Å; I57-K61 WeakPolarHBondContact O-CG 3.27Å; I57-K61 PolarHBondContact O-N 2.95Å; K58-K61 PolarHBondContact O-N 3.11Å; I59-K61 VanDerWaalsContact C-N 3.29Å; I59-K61 PolarHBondContact O-N 3.48Å; K61-L71 HydrophobicContact CG-CD2 4.13Å |
| 62 | E | 91.6 | Very high | 90.9 | Very high | 79 Ų | 79 | 47 Ų | 47 | 37% | 0.369 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -89 | -20.6 | 179.1 | -69.4 | 178.3 | -158.4 | 0 | 0 | 113.6 | K58 I59 Y164 | K58-E62 WeakPolarHBondContact CE-OE1 3.49Å; K58-E62 IonicContact NZ-OE1 3.66Å; K58-E62 PolarHBondContact O-N 2.84Å; I59-E62 PolarHBondContact O-N 2.89Å; I59-E62 VanDerWaalsContact O-N 3.11Å; E62-Y164 PolarHBondContact OE1-OH 2.85Å; E62-Y164 PolarHBondContact OE2-OH 2.64Å |
| 63 | L | 92.8 | Very high | 92.1 | Very high | 3 Ų | 3 | 48.4 Ų | 48.4 | 2% | 0.016 | 24% | 0.239 | C | C | . | . | trans | -99.4 | 73.3 | -178.9 | -68.4 | -178.7 | 0 | 0 | 0 | 113 | I59 I68 I121 L122 K125 V127 F159 | I59-L63 HydrophobicContact CG2-CD1 3.5Å; I59-L63 HydrophobicContact CG2-CG 4.19Å; I59-L63 WeakPolarHBondContact O-CB 3.47Å; I59-L63 WeakPolarHBondContact O-CG 3.35Å; I59-L63 PolarHBondContact O-N 2.9Å; L63-I68 HydrophobicContact CB-CD1 4.04Å; L63-I68 HydrophobicContact CD1-CD1 4.29Å; L63-I68 HydrophobicContact CD2-CD1 4.49Å; L63-I121 HydrophobicContact CD2-CG1 4.02Å; L63-L122 HydrophobicContact CD1-CD1 3.77Å; L63-L122 HydrophobicContact CD1-CG 4.25Å; L63-L122 HydrophobicContact CD2-CD1 4.24Å; L63-K125 HydrophobicContact CD2-CB 4.35Å; L63-K125 HydrophobicContact CD2-CG 3.96Å; L63-V127 HydrophobicContact CD1-CG1 4.3Å; L63-F159 HydrophobicContact CD1-CD1 3.97Å; L63-F159 HydrophobicContact CD1-CE1 3.37Å; L63-F159 HydrophobicContact CD1-CZ 4.02Å | ||
| 64 | Q | 92 | Very high | 92.8 | Very high | 172 Ų | 172 | 49.6 Ų | 49.6 | 80% | 0.804 | 25% | 0.247 | S | C | * | . | trans | -89.8 | 105.2 | 169.4 | -62.5 | -177.3 | 19.4 | 0 | 0 | 110 | ||||
| 65 | H | 96.8 | Very high | 93.3 | Very high | 59 Ų | 59 | 51 Ų | 51 | 27% | 0.273 | 24% | 0.242 | S | C | . | . | trans | -150.3 | 150.6 | 179.2 | -174 | -107.1 | 0 | 0 | 0 | 111.9 | N67 I68 I121 | H65-N67 PolarHBondContact ND1-N 3.12Å; H65-N67 PolarHBondContact O-N 3.44Å; H65-I68 HydrophobicContact CB-CB 4.29Å; H65-I68 HydrophobicContact CB-CD1 3.94Å; H65-I68 HydrophobicContact CB-CG1 4.06Å; H65-I68 PolarHBondContact O-N 2.93Å; H65-I68 VanDerWaalsContact O-N 3.12Å; H65-I121 HydrophobicContact CB-CG2 3.81Å | ||
| 66 | E | 95.9 | Very high | 93.7 | Very high | 98 Ų | 98 | 53.9 Ų | 53.9 | 46% | 0.458 | 26% | 0.257 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.3 | -24.7 | -173.8 | 68.1 | 167.5 | -146.8 | 0 | 0 | 114.3 | R153 K155 | E66-R153 IonicContact OE1-CZ 3.67Å; E66-R153 IonicContact OE1-NH1 2.79Å; E66-R153 PolarHBondContact OE1-NH1 3.37Å; E66-R153 IonicContact OE1-NH2 2.69Å; E66-R153 PolarHBondContact OE1-NH2 3.32Å; E66-R153 IonicContact OE2-CZ 3.04Å; E66-R153 IonicContact OE2-NH1 3.35Å; E66-R153 PolarHBondContact OE2-NH1 2.99Å; E66-R153 IonicContact OE2-NH2 2.7Å; E66-R153 PolarHBondContact OE2-NH2 2.85Å; E66-K155 VanDerWaalsContact O-CE 3.23Å; E66-K155 WeakPolarHBondContact O-CE 3.46Å; E66-K155 PolarHBondContact O-NZ 3.33Å |
| 67 | N | 97.7 | Very high | 93.6 | Very high | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.011 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -102.9 | 22.4 | 175.4 | -57.2 | 119 | 0 | 0 | 0 | 113.9 | H65 Q114 A118 I154 K155 I156 | H65-N67 PolarHBondContact ND1-N 3.12Å; H65-N67 PolarHBondContact O-N 3.44Å; N67-Q114 WeakPolarHBondContact CB-O 3.48Å; N67-Q114 WeakPolarHBondContact ND2-CB 3.33Å; N67-Q114 PolarHBondContact ND2-OE1 3.12Å; N67-Q114 PolarHBondContact OD1-O 3.27Å; N67-A118 HydrophobicContact CB-CB 3.95Å; N67-A118 WeakPolarHBondContact O-CB 3.42Å; N67-I154 VanDerWaalsContact CA-O 3.24Å; N67-I154 WeakPolarHBondContact CA-O 3.33Å; N67-I154 VanDerWaalsContact CB-O 3.31Å; N67-I154 WeakPolarHBondContact CB-O 3.47Å; N67-I154 PolarHBondContact ND2-O 3.42Å; N67-K155 WeakPolarHBondContact O-CA 3.16Å; N67-I156 PolarHBondContact O-N 3.46Å |
| 68 | I | 97.9 | Very high | 93.4 | Very high | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.005 | 30% | 0.303 | C | S | . | . | B | Isolated β-bridge | trans | -120.8 | 150.9 | 168.3 | -63.2 | 178.6 | 0 | 0 | 0 | 107.5 | L63 H65 A70 A118 I121 L122 K155 F159 | L63-I68 HydrophobicContact CB-CD1 4.04Å; L63-I68 HydrophobicContact CD1-CD1 4.29Å; L63-I68 HydrophobicContact CD2-CD1 4.49Å; H65-I68 HydrophobicContact CB-CB 4.29Å; H65-I68 HydrophobicContact CB-CD1 3.94Å; H65-I68 HydrophobicContact CB-CG1 4.06Å; H65-I68 PolarHBondContact O-N 2.93Å; H65-I68 VanDerWaalsContact O-N 3.12Å; I68-A70 PolarHBondContact O-N 3.02Å; I68-A118 HydrophobicContact CG1-CB 4.08Å; I68-I121 HydrophobicContact CD1-CG2 3.73Å; I68-L122 HydrophobicContact CD1-CD1 3.51Å; I68-K155 PolarHBondContact O-NZ 3.03Å; I68-F159 HydrophobicContact CD1-CZ 4.34Å; I68-F159 HydrophobicContact CG1-CZ 4.5Å; I68-F159 HydrophobicContact CG2-CE2 3.83Å; I68-F159 HydrophobicContact CG2-CZ 3.89Å |
| 69 | V | 96.7 | Very high | 93 | Very high | 8 Ų | 8 | 58.9 Ų | 58.9 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | P | Polyproline II helix | trans | -69.7 | 117.4 | 171.5 | 170.5 | 0 | 0 | 0 | 0 | 109.4 | M85 E86 L138 K155 I156 A157 | V69-M85 HydrophobicContact CG1-CB 3.89Å; V69-E86 HydrophobicContact CG1-CB 4.22Å; V69-L138 HydrophobicContact CG2-CD1 3.97Å; V69-K155 HydrophobicContact CG2-CB 3.99Å; V69-I156 PolarHBondContact N-O 3.38Å; V69-A157 HydrophobicContact CB-CB 4.45Å; V69-A157 HydrophobicContact CG2-CB 3.68Å |
| 70 | A | 95.8 | Very high | 92.8 | Very high | 35 Ų | 35 | 59.6 Ų | 59.6 | 29% | 0.289 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -70.3 | 139.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I68 Y72 M85 E86 | I68-A70 PolarHBondContact O-N 3.02Å; A70-Y72 HydrophobicContact CB-CD1 4.33Å; A70-Y72 HydrophobicContact CB-CE1 3.81Å; A70-M85 CarbonylContact O-C 3.58Å; A70-M85 VanDerWaalsContact O-CA 3.26Å; A70-M85 WeakPolarHBondContact O-CA 3.16Å; A70-E86 HydrophobicContact CB-CB 4.22Å; A70-E86 PolarHBondContact N-OE2 2.85Å; A70-E86 VanDerWaalsContact N-OE2 3.11Å; A70-E86 PolarHBondContact O-N 3.43Å |
| 71 | L | 95.9 | Very high | 92.7 | Very high | 32 Ų | 32 | 59.5 Ų | 59.5 | 17% | 0.168 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 117.3 | 169.4 | 178.6 | 66 | 0 | 0 | 0 | 109.2 | L60 K61 V74 L83 M85 | L60-L71 HydrophobicContact CB-CB 3.98Å; L60-L71 HydrophobicContact CB-CD2 3.74Å; L60-L71 HydrophobicContact CB-CG 4.48Å; L60-L71 HydrophobicContact CD1-CD2 4.44Å; K61-L71 HydrophobicContact CG-CD2 4.13Å; L71-V74 HydrophobicContact CD1-CG2 4Å; L71-V74 HydrophobicContact CD2-CG2 3.82Å; L71-V74 HydrophobicContact CG-CG2 4.19Å; L71-L83 HydrophobicContact CD1-CB 3.84Å; L71-L83 HydrophobicContact CD1-CD2 4.3Å; L71-L83 HydrophobicContact CD1-CG 3.9Å; L71-M85 HydrophobicContact CD1-CG 3.9Å |
| 72 | Y | 95.3 | Very high | 92.8 | Very high | 90 Ų | 90 | 54.6 Ų | 54.6 | 35% | 0.353 | 29% | 0.287 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | -40.2 | -177.1 | -58.4 | -40.7 | 0 | 0 | 0 | 113.2 | W34 V36 A70 V84 E86 | W34-Y72 HydrophobicContact CZ2-CD1 4.31Å; W34-Y72 AromaticContact CZ2-CD2 3.94Å; W34-Y72 HydrophobicContact CZ2-CD2 3.94Å; W34-Y72 HydrophobicContact CZ2-CE1 4.36Å; W34-Y72 AromaticContact CZ2-CE2 3.98Å; W34-Y72 HydrophobicContact CZ2-CE2 3.98Å; W34-Y72 HydrophobicContact CZ2-CG 4.11Å; W34-Y72 AromaticContact NE1-CE2 3.5Å; W34-Y72 AromaticContact NE1-CZ 3.84Å; V36-Y72 HydrophobicContact CG1-CD2 3.85Å; V36-Y72 HydrophobicContact CG1-CE2 3.92Å; A70-Y72 HydrophobicContact CB-CD1 4.33Å; A70-Y72 HydrophobicContact CB-CE1 3.81Å; Y72-V84 PolarHBondContact N-O 2.87Å; Y72-E86 HydrophobicContact CE2-CB 4.18Å |
| 73 | D | 94.9 | Very high | 92.9 | Very high | 46 Ų | 46 | 50.9 Ų | 50.9 | 25% | 0.246 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.8 | 157.4 | -177.5 | -169.9 | 20.1 | 0 | 0 | 0 | 111.3 | F7 Q75 V84 | F7-D73 HydrophobicContact CE2-CB 4.03Å; D73-Q75 PolarHBondContact OD1-NE2 2.81Å; D73-Q75 WeakPolarHBondContact OD2-CG 3.41Å; D73-Q75 PolarHBondContact OD2-NE2 2.87Å; D73-V84 HydrophobicContact CB-CB 4.06Å; D73-V84 HydrophobicContact CB-CG2 4.2Å; D73-V84 PolarHBondContact N-O 2.86Å; D73-V84 PolarHBondContact O-N 3.47Å |
| 74 | V | 94.4 | Very high | 93.1 | Very high | 36 Ų | 36 | 50.7 Ų | 50.7 | 22% | 0.218 | 27% | 0.269 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 117.6 | 174.5 | -179.4 | 0 | 0 | 0 | 0 | 108.9 | I57 L71 V81 F82 L83 | I57-V74 HydrophobicContact CD1-CG1 3.92Å; I57-V74 HydrophobicContact CG1-CG1 4.39Å; I57-V74 HydrophobicContact CG1-CG2 4.36Å; I57-V74 HydrophobicContact CG2-CG2 4.05Å; L71-V74 HydrophobicContact CD1-CG2 4Å; L71-V74 HydrophobicContact CD2-CG2 3.82Å; L71-V74 HydrophobicContact CG-CG2 4.19Å; V74-V81 HydrophobicContact CG1-CG1 4.17Å; V74-F82 WeakPolarHBondContact CA-O 3.47Å; V74-L83 HydrophobicContact CG1-CD1 4.35Å; V74-L83 HydrophobicContact CG2-CG 4.34Å |
| 75 | Q | 92.8 | Very high | 93.3 | Very high | 70 Ų | 70 | 43.6 Ų | 43.6 | 33% | 0.327 | 24% | 0.236 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 128.5 | -178.9 | -65.9 | -65.1 | -25.6 | 0 | 0 | 110.3 | V4 D73 F82 | V4-Q75 HydrophobicContact CG1-CB 3.7Å; V4-Q75 HydrophobicContact CG1-CG 3.66Å; D73-Q75 PolarHBondContact OD1-NE2 2.81Å; D73-Q75 WeakPolarHBondContact OD2-CG 3.41Å; D73-Q75 PolarHBondContact OD2-NE2 2.87Å; Q75-F82 HydrophobicContact CB-CB 4.49Å; Q75-F82 PolarHBondContact N-O 2.82Å; Q75-F82 PolarHBondContact O-N 2.85Å |
| 76 | E | 90.3 | Very high | 93.3 | Very high | 124 Ų | 124 | 42.5 Ų | 42.5 | 58% | 0.579 | 23% | 0.231 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -114.3 | 126.5 | -177.6 | 179.7 | 165.7 | -177.5 | 0 | 0 | 110.6 | K43 V81 | K43-E76 WeakPolarHBondContact CE-OE1 3.43Å; K43-E76 VanDerWaalsContact NZ-CG 3.31Å; K43-E76 IonicContact NZ-OE1 3.45Å; K43-E76 PolarHBondContact NZ-OE1 3.04Å; E76-V81 HydrophobicContact CG-CG2 4.18Å |
| 77 | T | 87.4 | Confident | 93.3 | Very high | 49 Ų | 49 | 40.2 Ų | 40.2 | 30% | 0.301 | 22% | 0.218 | S | C | . | . | trans | -113.6 | 170.8 | 175.5 | 77.8 | 0 | 0 | 0 | 0 | 110 | K43 S79 S80 F82 | K43-T77 WeakPolarHBondContact CD-O 3.28Å; K43-T77 VanDerWaalsContact CE-O 3.24Å; K43-T77 WeakPolarHBondContact CE-O 3.21Å; K43-T77 PolarHBondContact NZ-O 3.23Å; T77-S79 PolarHBondContact O-N 2.93Å; T77-S79 VanDerWaalsContact O-N 3.17Å; T77-S79 PolarHBondContact OG1-N 3.48Å; T77-S79 PolarHBondContact OG1-OG 2.84Å; T77-S80 PolarHBondContact N-O 2.7Å; T77-S80 PolarHBondContact OG1-N 3.38Å; T77-S80 PolarHBondContact OG1-O 3.04Å; T77-S80 VanDerWaalsContact OG1-O 3.13Å; T77-F82 HydrophobicContact CG2-CD2 4.19Å; T77-F82 HydrophobicContact CG2-CE2 3.79Å | ||
| 78 | P | 85.2 | Confident | 93.2 | Very high | 129 Ų | 129 | 40.5 Ų | 40.5 | 84% | 0.838 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -60.5 | -23 | 176.1 | -26.4 | 36.6 | 0 | 0 | 0 | 114.3 | K43 | K43-P78 WeakPolarHBondContact CD-O 3.44Š|
| 79 | S | 83.7 | Confident | 93 | Very high | 68 Ų | 68 | 43.6 Ų | 43.6 | 48% | 0.476 | 24% | 0.237 | S | C | . | . | S | Bend | trans | -114 | -20.4 | -173.7 | 54.1 | 0 | 0 | 0 | 0 | 115.3 | N42 K43 T77 | N42-S79 PolarHBondContact OD1-O 2.96Å; K43-S79 WeakPolarHBondContact CB-O 3.48Å; K43-S79 PolarHBondContact N-O 3.05Å; T77-S79 PolarHBondContact O-N 2.93Å; T77-S79 VanDerWaalsContact O-N 3.17Å; T77-S79 PolarHBondContact OG1-N 3.48Å; T77-S79 PolarHBondContact OG1-OG 2.84Å |
| 80 | S | 87.9 | Confident | 92.8 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 12% | 0.119 | 24% | 0.244 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 163 | -178.9 | -68.3 | 0 | 0 | 0 | 0 | 112.4 | I41 T77 | I41-S80 CarbonylContact O-C 3.57Å; I41-S80 WeakPolarHBondContact O-CA 3.27Å; I41-S80 WeakPolarHBondContact O-CB 3.24Å; T77-S80 PolarHBondContact N-O 2.7Å; T77-S80 PolarHBondContact OG1-N 3.38Å; T77-S80 PolarHBondContact OG1-O 3.04Å; T77-S80 VanDerWaalsContact OG1-O 3.13Å |
| 81 | V | 90.1 | Very high | 92.7 | Very high | 6 Ų | 6 | 43.9 Ų | 43.9 | 4% | 0.036 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 141.4 | 162.9 | -172 | 0 | 0 | 0 | 0 | 108.3 | I41 L46 L53 I57 V74 E76 L83 | I41-V81 PolarHBondContact N-O 2.93Å; I41-V81 PolarHBondContact O-N 2.93Å; L46-V81 HydrophobicContact CD1-CG2 4.11Å; L53-V81 HydrophobicContact CD2-CB 3.78Å; L53-V81 HydrophobicContact CD2-CG1 4.04Å; L53-V81 HydrophobicContact CD2-CG2 3.75Å; I57-V81 HydrophobicContact CD1-CG1 4.48Å; V74-V81 HydrophobicContact CG1-CG1 4.17Å; E76-V81 HydrophobicContact CG-CG2 4.18Å; V81-L83 HydrophobicContact CG1-CD1 4.07Å |
| 82 | F | 93.3 | Very high | 92.7 | Very high | 23 Ų | 23 | 43.9 Ų | 43.9 | 10% | 0.101 | 25% | 0.246 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.2 | 121.2 | 179.8 | -60.7 | -95 | 0 | 0 | 0 | 109.5 | V4 F9 I38 K39 S40 V74 Q75 T77 | V4-F82 HydrophobicContact CG1-CB 3.74Å; V4-F82 HydrophobicContact CG1-CG 4.27Å; V4-F82 HydrophobicContact CG2-CB 4.39Å; V4-F82 HydrophobicContact CG2-CD1 3.99Å; V4-F82 HydrophobicContact CG2-CE1 4.41Å; V4-F82 HydrophobicContact CG2-CG 4.13Å; F9-F82 HydrophobicContact CE1-CE1 4.15Å; F9-F82 HydrophobicContact CZ-CE1 4.03Å; I38-F82 HydrophobicContact CG2-CB 4.26Å; I38-F82 HydrophobicContact CG2-CD1 3.89Å; K39-F82 WeakPolarHBondContact O-CA 3.16Å; S40-F82 VanDerWaalsContact OG-CE1 3.27Å; S40-F82 WeakPolarHBondContact OG-CE1 3.45Å; V74-F82 WeakPolarHBondContact CA-O 3.47Å; Q75-F82 HydrophobicContact CB-CB 4.49Å; Q75-F82 PolarHBondContact N-O 2.82Å; Q75-F82 PolarHBondContact O-N 2.85Å; T77-F82 HydrophobicContact CG2-CD2 4.19Å; T77-F82 HydrophobicContact CG2-CE2 3.79Å |
| 83 | L | 94.6 | Very high | 92.7 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.23 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120.9 | 168.4 | -82.1 | 60 | 0 | 0 | 0 | 107.7 | I38 K39 L53 E56 I57 L60 L71 V74 V81 M85 | I38-L83 WeakPolarHBondContact CA-O 3.47Å; K39-L83 HydrophobicContact CB-CB 4.25Å; K39-L83 PolarHBondContact N-O 2.77Å; K39-L83 PolarHBondContact O-N 3.37Å; L53-L83 HydrophobicContact CD1-CD1 3.89Å; E56-L83 HydrophobicContact CG-CD2 4.36Å; I57-L83 HydrophobicContact CD1-CD1 4.07Å; I57-L83 HydrophobicContact CG1-CD1 3.94Å; I57-L83 HydrophobicContact CG1-CD2 4.14Å; I57-L83 HydrophobicContact CG1-CG 4.21Å; L60-L83 HydrophobicContact CD1-CD2 4.24Å; L71-L83 HydrophobicContact CD1-CB 3.84Å; L71-L83 HydrophobicContact CD1-CD2 4.3Å; L71-L83 HydrophobicContact CD1-CG 3.9Å; V74-L83 HydrophobicContact CG1-CD1 4.35Å; V74-L83 HydrophobicContact CG2-CG 4.34Å; V81-L83 HydrophobicContact CG1-CD1 4.07Å; L83-M85 HydrophobicContact CB-CG 4.11Å; L83-M85 HydrophobicContact CB-SD 4.21Å |
| 84 | V | 96.7 | Very high | 92.7 | Very high | 0 Ų | 0 | 38.6 Ų | 38.6 | 0% | 0 | 23% | 0.226 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95 | 115.5 | 173.4 | -174.5 | 0 | 0 | 0 | 0 | 108.2 | V4 F7 V36 I38 Y72 D73 | V4-V84 HydrophobicContact CB-CG2 4.45Å; V4-V84 HydrophobicContact CG1-CG2 3.66Å; F7-V84 HydrophobicContact CB-CG1 4.36Å; F7-V84 HydrophobicContact CD1-CG1 3.86Å; F7-V84 HydrophobicContact CD2-CB 4.31Å; F7-V84 HydrophobicContact CD2-CG1 3.75Å; F7-V84 HydrophobicContact CD2-CG2 4.04Å; F7-V84 HydrophobicContact CE1-CG1 4.03Å; F7-V84 HydrophobicContact CE2-CB 4.47Å; F7-V84 HydrophobicContact CE2-CG1 3.93Å; F7-V84 HydrophobicContact CG-CG1 3.72Å; F7-V84 HydrophobicContact CG-CG2 4.42Å; F7-V84 HydrophobicContact CZ-CG1 4.06Å; V36-V84 HydrophobicContact CB-CG1 3.87Å; V36-V84 HydrophobicContact CG1-CG1 4.03Å; V36-V84 HydrophobicContact CG2-CG1 3.91Å; I38-V84 HydrophobicContact CD1-CG2 4.31Å; I38-V84 HydrophobicContact CG1-CG1 4.44Å; I38-V84 HydrophobicContact CG1-CG2 4.41Å; Y72-V84 PolarHBondContact N-O 2.87Å; D73-V84 HydrophobicContact CB-CB 4.06Å; D73-V84 HydrophobicContact CB-CG2 4.2Å; D73-V84 PolarHBondContact N-O 2.86Å; D73-V84 PolarHBondContact O-N 3.47Å |
| 85 | M | 96.6 | Very high | 92.7 | Very high | 22 Ų | 22 | 41.5 Ų | 41.5 | 11% | 0.108 | 24% | 0.241 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.8 | 167.3 | -169.1 | -54.6 | -178.9 | -52.8 | 0 | 0 | 111.4 | V36 A37 K39 V69 A70 L71 L83 Y87 | V36-M85 CarbonylContact C-O 3.57Å; V36-M85 WeakPolarHBondContact CA-O 3.34Å; V36-M85 WeakPolarHBondContact CB-O 3.43Å; A37-M85 HydrophobicContact CB-CB 4.47Å; A37-M85 HydrophobicContact CB-CE 4.46Å; A37-M85 PolarHBondContact N-O 2.8Å; A37-M85 PolarHBondContact O-N 2.85Å; K39-M85 HydrophobicContact CB-CE 3.68Å; K39-M85 HydrophobicContact CB-SD 4.44Å; K39-M85 HydrophobicContact CD-CE 4.28Å; V69-M85 HydrophobicContact CG1-CB 3.89Å; A70-M85 CarbonylContact O-C 3.58Å; A70-M85 VanDerWaalsContact O-CA 3.26Å; A70-M85 WeakPolarHBondContact O-CA 3.16Å; L71-M85 HydrophobicContact CD1-CG 3.9Å; L83-M85 HydrophobicContact CB-CG 4.11Å; L83-M85 HydrophobicContact CB-SD 4.21Å; M85-Y87 PolarHBondContact O-N 3.28Å |
| 86 | E | 96.3 | Very high | 92.8 | Very high | 36 Ų | 36 | 39.8 Ų | 39.8 | 17% | 0.168 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -60.6 | 129.5 | 172.9 | -177.7 | 174.9 | -166.8 | 0 | 0 | 112.6 | V69 A70 Y72 C88 K155 | V69-E86 HydrophobicContact CG1-CB 4.22Å; A70-E86 HydrophobicContact CB-CB 4.22Å; A70-E86 PolarHBondContact N-OE2 2.85Å; A70-E86 VanDerWaalsContact N-OE2 3.11Å; A70-E86 PolarHBondContact O-N 3.43Å; Y72-E86 HydrophobicContact CE2-CB 4.18Å; E86-C88 PolarHBondContact O-N 3.39Å; E86-K155 VanDerWaalsContact CD-CE 3.43Å; E86-K155 WeakPolarHBondContact OE1-CE 3.3Å; E86-K155 IonicContact OE1-NZ 3.41Å; E86-K155 PolarHBondContact OE1-NZ 3.37Å; E86-K155 WeakPolarHBondContact OE2-CE 3.31Å; E86-K155 IonicContact OE2-NZ 2.88Å; E86-K155 PolarHBondContact OE2-NZ 3.19Å |
| 87 | Y | 96.4 | Very high | 93 | Very high | 50 Ų | 50 | 34.2 Ų | 34.2 | 20% | 0.196 | 21% | 0.206 | C | C | . | . | trans | -84.5 | 113.9 | 175.4 | -179.4 | -111.6 | 0 | 0 | 0 | 111.4 | V15 K25 E35 A37 M85 N89 | V15-Y87 HydrophobicContact CG2-CE2 4.2Å; K25-Y87 HydrophobicContact CB-CE2 4.46Å; K25-Y87 HydrophobicContact CD-CE1 4.07Å; K25-Y87 HydrophobicContact CD-CE2 3.92Å; K25-Y87 VanDerWaalsContact CE-CZ 3.49Å; K25-Y87 HydrophobicContact CG-CD2 4.23Å; K25-Y87 HydrophobicContact CG-CE2 3.99Å; K25-Y87 PolarHBondContact NZ-OH 2.8Å; E35-Y87 HydrophobicContact CB-CD1 3.74Å; E35-Y87 HydrophobicContact CB-CG 4.14Å; E35-Y87 VanDerWaalsContact OE2-CD1 3.24Å; E35-Y87 WeakPolarHBondContact OE2-CD1 3.42Å; E35-Y87 WeakPolarHBondContact OE2-CE1 3.33Å; A37-Y87 HydrophobicContact CB-CD2 4.49Å; M85-Y87 PolarHBondContact O-N 3.28Å; Y87-N89 HydrophobicContact CD1-CB 4.06Å; Y87-N89 HydrophobicContact CE1-CB 3.77Å; Y87-N89 PolarHBondContact O-N 2.84Å | ||
| 88 | C | 95.6 | Very high | 93.2 | Very high | 9 Ų | 9 | 39.8 Ų | 39.8 | 6% | 0.061 | 23% | 0.228 | C | C | . | . | trans | -83.1 | 98.3 | 173.1 | -66.3 | 0 | 0 | 0 | 0 | 109.8 | E86 G90 G91 L138 L139 | E86-C88 PolarHBondContact O-N 3.39Å; C88-G90 PolarHBondContact O-N 3.4Å; C88-G91 PolarHBondContact O-N 3.17Å; C88-L138 HydrophobicContact CB-CB 3.6Å; C88-L138 HydrophobicContact CB-CD1 3.92Å; C88-L138 HydrophobicContact CB-CG 4.4Å; C88-L139 CarbonylContact C-O 3.57Å; C88-L139 WeakPolarHBondContact CB-O 3.35Å | ||
| 89 | N | 92.8 | Very high | 93.6 | Very high | 65 Ų | 65 | 37.6 Ų | 37.6 | 35% | 0.348 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -0.4 | -172.2 | 67.6 | 14.2 | 0 | 0 | 0 | 115.4 | Y87 Y141 | Y87-N89 HydrophobicContact CD1-CB 4.06Å; Y87-N89 HydrophobicContact CE1-CB 3.77Å; Y87-N89 PolarHBondContact O-N 2.84Å; N89-Y141 PolarHBondContact ND2-O 2.96Å; N89-Y141 VanDerWaalsContact ND2-O 3.11Å; N89-Y141 WeakPolarHBondContact OD1-CD2 3.31Å; N89-Y141 PolarHBondContact OD1-N 3.38Å |
| 90 | G | 92.3 | Very high | 93.9 | Very high | 19 Ų | 19 | 40.3 Ų | 40.3 | 20% | 0.196 | 22% | 0.224 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.1 | -2.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 116.3 | C88 L139 Y141 | C88-G90 PolarHBondContact O-N 3.4Å; G90-L139 WeakPolarHBondContact CA-O 3.42Å; G90-L139 PolarHBondContact N-O 2.97Å; G90-Y141 VanDerWaalsContact CA-CE2 3.42Å |
| 91 | G | 94.1 | Very high | 94.2 | Very high | 31 Ų | 31 | 41.6 Ų | 41.6 | 32% | 0.32 | 24% | 0.24 | S | C | . | . | trans | 82 | -157.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | C88 L138 L139 | C88-G91 PolarHBondContact O-N 3.17Å; G91-L138 WeakPolarHBondContact O-CA 3.48Å; G91-L139 PolarHBondContact O-N 2.74Å | ||
| 92 | D | 95.6 | Very high | 94.4 | Very high | 32 Ų | 32 | 45 Ų | 45 | 17% | 0.171 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -106.4 | 172.2 | 177 | 74.8 | 39.4 | 0 | 0 | 0 | 113 | A94 D95 Y96 L138 | D92-A94 VanDerWaalsContact C-N 3.3Å; D92-A94 VanDerWaalsContact OD1-CA 3.27Å; D92-A94 WeakPolarHBondContact OD1-CA 2.9Å; D92-A94 WeakPolarHBondContact OD1-CB 3.27Å; D92-A94 PolarHBondContact OD1-N 2.8Å; D92-D95 PolarHBondContact OD1-N 2.86Å; D92-Y96 WeakPolarHBondContact O-CB 3.45Å; D92-Y96 PolarHBondContact O-N 2.88Å; D92-Y96 VanDerWaalsContact O-N 3.09Å; D92-L138 HydrophobicContact CB-CD2 3.6Å |
| 93 | L | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 44.3 Ų | 44.3 | 2% | 0.016 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -74.7 | -18.8 | -178.7 | -177.1 | 60.4 | 0 | 0 | 0 | 112.6 | Y96 L97 L103 F111 P134 I137 L139 V203 | L93-Y96 HydrophobicContact CD1-CD1 4.18Å; L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 PolarHBondContact O-N 3.1Å; L93-L103 HydrophobicContact CD1-CD1 4.22Å; L93-F111 HydrophobicContact CD1-CD2 4.05Å; L93-F111 HydrophobicContact CD1-CE2 3.87Å; L93-P134 HydrophobicContact CB-CB 4.1Å; L93-P134 WeakPolarHBondContact CB-O 3.04Å; L93-P134 HydrophobicContact CG-CB 4.29Å; L93-P134 PolarHBondContact N-O 2.89Å; L93-P134 VanDerWaalsContact N-O 3.1Å; L93-I137 HydrophobicContact CB-CB 4.14Å; L93-I137 HydrophobicContact CB-CG2 4.18Å; L93-I137 WeakPolarHBondContact CB-O 3.46Å; L93-I137 HydrophobicContact CD2-CB 4.22Å; L93-I137 HydrophobicContact CD2-CD1 4.37Å; L93-I137 HydrophobicContact CD2-CG2 3.85Å; L93-I137 PolarHBondContact N-O 2.63Å; L93-L139 HydrophobicContact CB-CD1 4.09Å; L93-L139 HydrophobicContact CD1-CD1 4.45Å; L93-V203 HydrophobicContact CD2-CG1 3.86Å |
| 94 | A | 95.2 | Very high | 94.4 | Very high | 21 Ų | 21 | 51.6 Ų | 51.6 | 17% | 0.174 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.7 | -51.3 | 173.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | D92 Y96 L97 Q98 P134 Q135 | D92-A94 VanDerWaalsContact C-N 3.3Å; D92-A94 VanDerWaalsContact OD1-CA 3.27Å; D92-A94 WeakPolarHBondContact OD1-CA 2.9Å; D92-A94 WeakPolarHBondContact OD1-CB 3.27Å; D92-A94 PolarHBondContact OD1-N 2.8Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 3.45Å; A94-L97 PolarHBondContact O-N 3.22Å; A94-Q98 WeakPolarHBondContact O-CB 3.42Å; A94-Q98 PolarHBondContact O-N 3.37Å; A94-P134 HydrophobicContact CB-CB 3.92Å; A94-Q135 HydrophobicContact CB-CG 3.98Å |
| 95 | D | 93.8 | Very high | 94.3 | Very high | 98 Ų | 98 | 53.4 Ų | 53.4 | 52% | 0.524 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -59.6 | -43.9 | 174.3 | -86.1 | 3 | 0 | 0 | 0 | 111 | D92 L97 Q98 A99 | D92-D95 PolarHBondContact OD1-N 2.86Å; D95-L97 PolarHBondContact O-N 2.69Å; D95-Q98 PolarHBondContact O-N 3.13Å; D95-A99 WeakPolarHBondContact O-CB 3.45Å; D95-A99 PolarHBondContact O-N 3.04Å |
| 96 | Y | 93.9 | Very high | 94.1 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 13% | 0.129 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -62.8 | -41 | 177.6 | -173.5 | -99.1 | 0 | 0 | 0 | 112.2 | D92 L93 A94 K100 L103 F111 L139 I152 | D92-Y96 WeakPolarHBondContact O-CB 3.45Å; D92-Y96 PolarHBondContact O-N 2.88Å; D92-Y96 VanDerWaalsContact O-N 3.09Å; L93-Y96 HydrophobicContact CD1-CD1 4.18Å; A94-Y96 VanDerWaalsContact C-N 3.33Å; A94-Y96 PolarHBondContact O-N 3.45Å; Y96-K100 HydrophobicContact CD1-CG 4.47Å; Y96-K100 HydrophobicContact CE1-CG 4.19Å; Y96-K100 WeakPolarHBondContact O-CB 3.49Å; Y96-K100 VanDerWaalsContact O-CG 3.24Å; Y96-K100 WeakPolarHBondContact O-CG 3.44Å; Y96-K100 PolarHBondContact O-N 3.3Å; Y96-L103 HydrophobicContact CD1-CD1 4.43Å; Y96-L103 HydrophobicContact CD1-CD2 4.05Å; Y96-L103 HydrophobicContact CE1-CD1 4.29Å; Y96-L103 HydrophobicContact CE1-CD2 3.6Å; Y96-F111 HydrophobicContact CD1-CE2 4.15Å; Y96-F111 HydrophobicContact CD1-CZ 4.47Å; Y96-F111 AromaticContact CE1-CE2 3.87Å; Y96-F111 HydrophobicContact CE1-CE2 3.87Å; Y96-F111 AromaticContact CE1-CZ 3.89Å; Y96-F111 HydrophobicContact CE1-CZ 3.89Å; Y96-L139 HydrophobicContact CD1-CD2 4.13Å; Y96-L139 HydrophobicContact CD2-CD2 3.42Å; Y96-L139 VanDerWaalsContact CD2-CD2 3.42Å; Y96-L139 HydrophobicContact CE2-CD2 3.91Å; Y96-L139 HydrophobicContact CG-CD2 3.53Å; Y96-I152 HydrophobicContact CE2-CD1 4.13Å |
| 97 | L | 94.2 | Very high | 93.9 | Very high | 7 Ų | 7 | 54.3 Ų | 54.3 | 4% | 0.037 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70 | -42.1 | 176.4 | -175.9 | 65.1 | 0 | 0 | 0 | 111.6 | L93 A94 D95 A99 K100 G101 L103 Q206 | L93-L97 WeakPolarHBondContact O-CB 3.44Å; L93-L97 PolarHBondContact O-N 3.1Å; A94-L97 PolarHBondContact O-N 3.22Å; D95-L97 PolarHBondContact O-N 2.69Å; L97-A99 PolarHBondContact O-N 2.88Å; L97-K100 CarbonylContact O-C 3.52Å; L97-K100 PolarHBondContact O-N 2.95Å; L97-G101 WeakPolarHBondContact CD1-O 3.42Å; L97-G101 PolarHBondContact O-N 3.46Å; L97-L103 HydrophobicContact CD1-CG 4.12Å; L97-Q206 HydrophobicContact CD2-CG 3.7Å; L97-Q206 WeakPolarHBondContact CD2-O 3.46Å |
| 98 | Q | 93.3 | Very high | 93.8 | Very high | 166 Ų | 166 | 52 Ų | 52 | 78% | 0.776 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -57.9 | -38.6 | 175.5 | -168.2 | -176.4 | 31.4 | 0 | 0 | 111.4 | A94 D95 K100 | A94-Q98 WeakPolarHBondContact O-CB 3.42Å; A94-Q98 PolarHBondContact O-N 3.37Å; D95-Q98 PolarHBondContact O-N 3.13Å; Q98-K100 VanDerWaalsContact C-N 3.26Å; Q98-K100 PolarHBondContact O-N 3.43Å |
| 99 | A | 92.4 | Very high | 93.8 | Very high | 83 Ų | 83 | 53.4 Ų | 53.4 | 69% | 0.686 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -2.1 | 175.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | D95 L97 | D95-A99 WeakPolarHBondContact O-CB 3.45Å; D95-A99 PolarHBondContact O-N 3.04Å; L97-A99 PolarHBondContact O-N 2.88Å |
| 100 | K | 90.9 | Very high | 93.9 | Very high | 126 Ų | 126 | 52.7 Ų | 52.7 | 55% | 0.548 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -125.1 | -19.8 | -178.8 | -69 | -61.3 | -179.8 | -166.4 | 0 | 115.2 | Y96 L97 Q98 T102 L103 | Y96-K100 HydrophobicContact CD1-CG 4.47Å; Y96-K100 HydrophobicContact CE1-CG 4.19Å; Y96-K100 WeakPolarHBondContact O-CB 3.49Å; Y96-K100 VanDerWaalsContact O-CG 3.24Å; Y96-K100 WeakPolarHBondContact O-CG 3.44Å; Y96-K100 PolarHBondContact O-N 3.3Å; L97-K100 CarbonylContact O-C 3.52Å; L97-K100 PolarHBondContact O-N 2.95Å; Q98-K100 VanDerWaalsContact C-N 3.26Å; Q98-K100 PolarHBondContact O-N 3.43Å; K100-T102 PolarHBondContact O-N 3.01Å; K100-L103 HydrophobicContact CB-CD2 3.98Å; K100-L103 HydrophobicContact CG-CD2 4.17Å |
| 101 | G | 93.1 | Very high | 94.1 | Very high | 43 Ų | 43 | 51.9 Ų | 51.9 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | S | Bend | trans | 74.5 | -66.7 | -169.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L97 G210 | L97-G101 WeakPolarHBondContact CD1-O 3.42Å; L97-G101 PolarHBondContact O-N 3.46Å; G101-G210 WeakPolarHBondContact O-CA 3.2Å |
| 102 | T | 94.5 | Very high | 94.2 | Very high | 77 Ų | 77 | 50.4 Ų | 50.4 | 47% | 0.472 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -141.1 | 163.6 | 177.1 | 63.3 | 0 | 0 | 0 | 0 | 111.5 | K100 C207 L208 | K100-T102 PolarHBondContact O-N 3.01Å; T102-C207 CarbonylContact C-O 3.57Å; T102-C207 WeakPolarHBondContact CA-O 3.42Å; T102-L208 WeakPolarHBondContact CB-O 3.47Å; T102-L208 VanDerWaalsContact CG2-O 3.31Å; T102-L208 WeakPolarHBondContact CG2-O 3.41Å |
| 103 | L | 94.4 | Very high | 94.3 | Very high | 10 Ų | 10 | 51.8 Ų | 51.8 | 5% | 0.052 | 28% | 0.275 | C | S | . | . | trans | -111.8 | 135.5 | 178.7 | -56.3 | -172.1 | 0 | 0 | 0 | 110.8 | L93 Y96 L97 K100 T107 L108 F111 C207 | L93-L103 HydrophobicContact CD1-CD1 4.22Å; Y96-L103 HydrophobicContact CD1-CD1 4.43Å; Y96-L103 HydrophobicContact CD1-CD2 4.05Å; Y96-L103 HydrophobicContact CE1-CD1 4.29Å; Y96-L103 HydrophobicContact CE1-CD2 3.6Å; L97-L103 HydrophobicContact CD1-CG 4.12Å; K100-L103 HydrophobicContact CB-CD2 3.98Å; K100-L103 HydrophobicContact CG-CD2 4.17Å; L103-T107 HydrophobicContact CB-CG2 4.46Å; L103-T107 HydrophobicContact CD1-CG2 4.33Å; L103-L108 HydrophobicContact CB-CD1 4.45Å; L103-L108 HydrophobicContact CB-CG 4.06Å; L103-F111 HydrophobicContact CD1-CD2 4Å; L103-F111 HydrophobicContact CD1-CE2 3.82Å; L103-C207 HydrophobicContact CB-CB 4.45Å; L103-C207 HydrophobicContact CD1-CB 4.01Å; L103-C207 HydrophobicContact CG-CB 4.25Å; L103-C207 PolarHBondContact N-O 2.76Å | ||
| 104 | R | 93.8 | Very high | 94.3 | Very high | 153 Ų | 153 | 52.6 Ų | 52.6 | 58% | 0.577 | 28% | 0.279 | S | S | * | . | trans | -64.6 | 151.6 | 172.7 | -50.5 | -168.4 | -48.6 | 111.1 | 16.2 | 110.6 | D106 T107 L108 | R104-D106 VanDerWaalsContact C-N 3.28Å; R104-D106 IonicContact CZ-OD2 3.57Å; R104-D106 VanDerWaalsContact CZ-OD2 3.24Å; R104-D106 IonicContact NH1-OD2 3.61Å; R104-D106 PolarHBondContact NH1-OD2 3.06Å; R104-D106 IonicContact NH2-OD2 2.69Å; R104-D106 PolarHBondContact NH2-OD2 3.28Å; R104-D106 PolarHBondContact O-N 3.01Å; R104-T107 WeakPolarHBondContact O-CA 3.21Å; R104-T107 WeakPolarHBondContact O-CB 3.04Å; R104-T107 PolarHBondContact O-N 2.95Å; R104-L108 PolarHBondContact O-N 3.4Å | ||
| 105 | E | 94.8 | Very high | 94.5 | Very high | 37 Ų | 37 | 51.8 Ų | 51.8 | 17% | 0.173 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56.1 | -36.3 | -179 | -63.9 | -159.4 | -168.5 | 0 | 0 | 114.5 | T107 L108 R109 T240 S241 L244 F270 | E105-T107 VanDerWaalsContact C-N 3.3Å; E105-T107 PolarHBondContact O-N 3.31Å; E105-L108 WeakPolarHBondContact O-CB 3.24Å; E105-L108 PolarHBondContact O-N 3.45Å; E105-R109 WeakPolarHBondContact O-CB 3.47Å; E105-R109 PolarHBondContact O-N 3.43Å; E105-T240 WeakPolarHBondContact OE1-CA 3.37Å; E105-S241 PolarHBondContact OE1-N 3.36Å; E105-S241 WeakPolarHBondContact OE2-CB 3.27Å; E105-S241 PolarHBondContact OE2-OG 2.91Å; E105-L244 HydrophobicContact CB-CD2 4.49Å; E105-L244 HydrophobicContact CG-CD2 3.67Å; E105-F270 HydrophobicContact CB-CE2 4.32Å; E105-F270 HydrophobicContact CB-CZ 4.42Å |
| 106 | D | 92.4 | Very high | 94.6 | Very high | 71 Ų | 71 | 47.2 Ų | 47.2 | 38% | 0.38 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -63.3 | -37.7 | 176.1 | -52.4 | -43.7 | 0 | 0 | 0 | 112.2 | R104 R109 V110 | R104-D106 VanDerWaalsContact C-N 3.28Å; R104-D106 IonicContact CZ-OD2 3.57Å; R104-D106 VanDerWaalsContact CZ-OD2 3.24Å; R104-D106 IonicContact NH1-OD2 3.61Å; R104-D106 PolarHBondContact NH1-OD2 3.06Å; R104-D106 IonicContact NH2-OD2 2.69Å; R104-D106 PolarHBondContact NH2-OD2 3.28Å; R104-D106 PolarHBondContact O-N 3.01Å; D106-R109 IonicContact OD1-NH1 2.77Å; D106-R109 PolarHBondContact OD1-NH1 3.05Å; D106-V110 WeakPolarHBondContact O-CG2 3.36Å; D106-V110 PolarHBondContact O-N 2.96Å |
| 107 | T | 92.9 | Very high | 94.8 | Very high | 7 Ų | 7 | 46.9 Ų | 46.9 | 4% | 0.043 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -67.8 | -44.5 | 175.3 | -53.8 | 0 | 0 | 0 | 0 | 109.9 | L103 R104 E105 R109 V110 F111 I149 | L103-T107 HydrophobicContact CB-CG2 4.46Å; L103-T107 HydrophobicContact CD1-CG2 4.33Å; R104-T107 WeakPolarHBondContact O-CA 3.21Å; R104-T107 WeakPolarHBondContact O-CB 3.04Å; R104-T107 PolarHBondContact O-N 2.95Å; E105-T107 VanDerWaalsContact C-N 3.3Å; E105-T107 PolarHBondContact O-N 3.31Å; T107-R109 PolarHBondContact O-N 3.44Å; T107-V110 PolarHBondContact O-N 3.05Å; T107-F111 HydrophobicContact CG2-CD1 4.34Å; T107-F111 HydrophobicContact CG2-CD2 4.43Å; T107-F111 HydrophobicContact CG2-CE1 3.97Å; T107-F111 HydrophobicContact CG2-CE2 4.07Å; T107-F111 HydrophobicContact CG2-CZ 3.83Å; T107-F111 WeakPolarHBondContact O-CD1 3.46Å; T107-F111 WeakPolarHBondContact O-CG 3.35Å; T107-F111 PolarHBondContact O-N 3.46Å; T107-I149 HydrophobicContact CG2-CG2 3.94Å |
| 108 | L | 94.4 | Very high | 95 | Very high | 1 Ų | 1 | 46.6 Ų | 46.6 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.7 | -84.8 | 166.6 | 0 | 0 | 0 | 112.2 | L103 R104 E105 F111 L112 I204 C207 L208 L244 F270 | L103-L108 HydrophobicContact CB-CD1 4.45Å; L103-L108 HydrophobicContact CB-CG 4.06Å; R104-L108 PolarHBondContact O-N 3.4Å; E105-L108 WeakPolarHBondContact O-CB 3.24Å; E105-L108 PolarHBondContact O-N 3.45Å; L108-F111 PolarHBondContact O-N 2.75Å; L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 PolarHBondContact O-N 3.42Å; L108-I204 HydrophobicContact CD2-CD1 3.76Å; L108-I204 HydrophobicContact CD2-CG2 4.13Å; L108-C207 HydrophobicContact CD1-CB 4.45Å; L108-C207 HydrophobicContact CD2-CB 3.34Å; L108-C207 HydrophobicContact CG-CB 4.26Å; L108-L208 HydrophobicContact CD1-CB 4.07Å; L108-L208 HydrophobicContact CD1-CD1 4.32Å; L108-L244 HydrophobicContact CD1-CD2 4.27Å; L108-F270 HydrophobicContact CB-CZ 4.46Å |
| 109 | R | 95.4 | Very high | 95.2 | Very high | 39 Ų | 39 | 38.7 Ų | 38.7 | 15% | 0.147 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -59.3 | -50.5 | 175.2 | -174.1 | 176.7 | -57.7 | 110.1 | 12.5 | 111.5 | E105 D106 T107 F111 L112 Q113 F270 | E105-R109 WeakPolarHBondContact O-CB 3.47Å; E105-R109 PolarHBondContact O-N 3.43Å; D106-R109 IonicContact OD1-NH1 2.77Å; D106-R109 PolarHBondContact OD1-NH1 3.05Å; T107-R109 PolarHBondContact O-N 3.44Å; R109-F111 VanDerWaalsContact C-N 3.31Å; R109-F111 PolarHBondContact O-N 2.9Å; R109-L112 PolarHBondContact O-N 3.08Å; R109-Q113 HydrophobicContact CG-CG 4.46Å; R109-Q113 WeakPolarHBondContact O-CB 3.43Å; R109-Q113 WeakPolarHBondContact O-CG 3.07Å; R109-Q113 PolarHBondContact O-N 3.35Å; R109-F270 HydrophobicContact CB-CE1 4.01Å; R109-F270 HydrophobicContact CB-CZ 3.98Å; R109-F270 WeakPolarHBondContact CD-O 3.24Å; R109-F270 WeakPolarHBondContact CG-O 3.31Å; R109-F270 PolarHBondContact NE-O 3.04Å; R109-F270 VanDerWaalsContact NH2-CE2 3.32Å |
| 110 | V | 94.4 | Very high | 95.4 | Very high | 49 Ų | 49 | 40.8 Ų | 40.8 | 30% | 0.297 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.8 | -32.5 | 179.6 | 171.7 | 0 | 0 | 0 | 0 | 112.6 | D106 T107 Q114 | D106-V110 WeakPolarHBondContact O-CG2 3.36Å; D106-V110 PolarHBondContact O-N 2.96Å; T107-V110 PolarHBondContact O-N 3.05Å; V110-Q114 WeakPolarHBondContact O-CG 3.5Å; V110-Q114 PolarHBondContact O-NE2 3.39Å |
| 111 | F | 96.1 | Very high | 95.6 | Very high | 3 Ų | 3 | 36.6 Ų | 36.6 | 1% | 0.013 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -75.8 | -43.3 | 174.9 | -73.5 | 10.7 | 0 | 0 | 0 | 111.3 | L93 Y96 L103 T107 L108 R109 Q114 I115 I149 I152 I154 | L93-F111 HydrophobicContact CD1-CD2 4.05Å; L93-F111 HydrophobicContact CD1-CE2 3.87Å; Y96-F111 HydrophobicContact CD1-CE2 4.15Å; Y96-F111 HydrophobicContact CD1-CZ 4.47Å; Y96-F111 AromaticContact CE1-CE2 3.87Å; Y96-F111 HydrophobicContact CE1-CE2 3.87Å; Y96-F111 AromaticContact CE1-CZ 3.89Å; Y96-F111 HydrophobicContact CE1-CZ 3.89Å; L103-F111 HydrophobicContact CD1-CD2 4Å; L103-F111 HydrophobicContact CD1-CE2 3.82Å; T107-F111 HydrophobicContact CG2-CD1 4.34Å; T107-F111 HydrophobicContact CG2-CD2 4.43Å; T107-F111 HydrophobicContact CG2-CE1 3.97Å; T107-F111 HydrophobicContact CG2-CE2 4.07Å; T107-F111 HydrophobicContact CG2-CZ 3.83Å; T107-F111 WeakPolarHBondContact O-CD1 3.46Å; T107-F111 WeakPolarHBondContact O-CG 3.35Å; T107-F111 PolarHBondContact O-N 3.46Å; L108-F111 PolarHBondContact O-N 2.75Å; R109-F111 VanDerWaalsContact C-N 3.31Å; R109-F111 PolarHBondContact O-N 2.9Å; F111-Q114 WeakPolarHBondContact O-CB 3.33Å; F111-Q114 PolarHBondContact O-N 3.05Å; F111-I115 WeakPolarHBondContact O-CG1 3.43Å; F111-I115 PolarHBondContact O-N 3.43Å; F111-I149 HydrophobicContact CE1-CG2 4.42Å; F111-I152 HydrophobicContact CE1-CB 4.06Å; F111-I152 HydrophobicContact CE1-CD1 4.22Å; F111-I152 HydrophobicContact CE1-CG2 3.82Å; F111-I152 HydrophobicContact CZ-CD1 4.03Å; F111-I152 HydrophobicContact CZ-CG2 3.99Å; F111-I154 HydrophobicContact CB-CD1 4.45Å; F111-I154 HydrophobicContact CB-CG1 4.06Å; F111-I154 HydrophobicContact CD1-CD1 3.88Å; F111-I154 HydrophobicContact CD1-CG1 3.87Å; F111-I154 HydrophobicContact CD2-CD1 3.93Å; F111-I154 HydrophobicContact CD2-CG1 4.45Å; F111-I154 HydrophobicContact CE1-CD1 4.04Å; F111-I154 HydrophobicContact CE1-CG1 4.44Å; F111-I154 HydrophobicContact CE2-CD1 4.08Å; F111-I154 HydrophobicContact CG-CD1 3.83Å; F111-I154 HydrophobicContact CG-CG1 3.88Å; F111-I154 HydrophobicContact CZ-CD1 4.14Å |
| 112 | L | 97 | Very high | 95.7 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -73.8 | -31.3 | -176.6 | -171.8 | 54.1 | 0 | 0 | 0 | 113 | L108 R109 Q114 I115 A116 I200 I204 L247 F265 F270 L271 | L108-L112 WeakPolarHBondContact O-CB 3.45Å; L108-L112 PolarHBondContact O-N 3.42Å; R109-L112 PolarHBondContact O-N 3.08Å; L112-Q114 VanDerWaalsContact C-N 3.26Å; L112-Q114 PolarHBondContact O-N 2.83Å; L112-I115 HydrophobicContact CD1-CB 4.17Å; L112-I115 HydrophobicContact CD1-CG2 4.24Å; L112-I115 PolarHBondContact O-N 3.02Å; L112-A116 VanDerWaalsContact O-CB 3.24Å; L112-A116 WeakPolarHBondContact O-CB 3.34Å; L112-A116 PolarHBondContact O-N 3.04Å; L112-I200 HydrophobicContact CD1-CG2 3.59Å; L112-I204 HydrophobicContact CB-CD1 3.99Å; L112-I204 HydrophobicContact CD1-CD1 3.9Å; L112-I204 HydrophobicContact CD1-CG1 3.94Å; L112-I204 HydrophobicContact CD2-CD1 4Å; L112-I204 HydrophobicContact CD2-CG1 3.95Å; L112-I204 HydrophobicContact CD2-CG2 4.42Å; L112-I204 HydrophobicContact CG-CD1 4.17Å; L112-I204 HydrophobicContact CG-CG1 4.43Å; L112-L247 HydrophobicContact CD2-CD2 3.67Å; L112-F265 HydrophobicContact CD1-CE2 4.1Å; L112-F265 HydrophobicContact CD1-CZ 3.89Å; L112-F265 HydrophobicContact CG-CE2 4.46Å; L112-F270 HydrophobicContact CD2-CD1 4.44Å; L112-F270 HydrophobicContact CD2-CE1 4.46Å; L112-L271 HydrophobicContact CB-CD2 4.1Å; L112-L271 HydrophobicContact CD2-CD2 3.7Å; L112-L271 HydrophobicContact CG-CD2 3.61Å |
| 113 | Q | 96.7 | Very high | 95.7 | Very high | 60 Ų | 60 | 34.5 Ų | 34.5 | 28% | 0.28 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -56.5 | -41.5 | 168 | -77.8 | 168.5 | -22.4 | 0 | 0 | 111.6 | R109 A117 L271 | R109-Q113 HydrophobicContact CG-CG 4.46Å; R109-Q113 WeakPolarHBondContact O-CB 3.43Å; R109-Q113 WeakPolarHBondContact O-CG 3.07Å; R109-Q113 PolarHBondContact O-N 3.35Å; Q113-A117 PolarHBondContact O-N 3.11Å; Q113-L271 WeakPolarHBondContact CG-O 3.38Å; Q113-L271 PolarHBondContact NE2-O 3.02Å |
| 114 | Q | 97.2 | Very high | 95.7 | Very high | 21 Ų | 21 | 38.2 Ų | 38.2 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -73.2 | -38.4 | 178 | -72.2 | -179.3 | 80.8 | 0 | 0 | 112.7 | N67 V110 F111 L112 A117 A118 I152 R153 I154 | N67-Q114 WeakPolarHBondContact CB-O 3.48Å; N67-Q114 WeakPolarHBondContact ND2-CB 3.33Å; N67-Q114 PolarHBondContact ND2-OE1 3.12Å; N67-Q114 PolarHBondContact OD1-O 3.27Å; V110-Q114 WeakPolarHBondContact O-CG 3.5Å; V110-Q114 PolarHBondContact O-NE2 3.39Å; F111-Q114 WeakPolarHBondContact O-CB 3.33Å; F111-Q114 PolarHBondContact O-N 3.05Å; L112-Q114 VanDerWaalsContact C-N 3.26Å; L112-Q114 PolarHBondContact O-N 2.83Å; Q114-A117 PolarHBondContact O-N 2.8Å; Q114-A118 PolarHBondContact O-N 2.74Å; Q114-A118 VanDerWaalsContact O-N 3.12Å; Q114-I152 PolarHBondContact NE2-O 3.43Å; Q114-R153 VanDerWaalsContact OE1-CA 3.28Å; Q114-I154 HydrophobicContact CB-CB 4Å; Q114-I154 HydrophobicContact CB-CG1 4.47Å |
| 115 | I | 98 | Very high | 95.7 | Very high | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.2 | -44.5 | 171.7 | -67.1 | 165.9 | 0 | 0 | 0 | 110.1 | F111 L112 A117 A118 M119 I137 I154 I200 | F111-I115 WeakPolarHBondContact O-CG1 3.43Å; F111-I115 PolarHBondContact O-N 3.43Å; L112-I115 HydrophobicContact CD1-CB 4.17Å; L112-I115 HydrophobicContact CD1-CG2 4.24Å; L112-I115 PolarHBondContact O-N 3.02Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 2.84Å; I115-A118 WeakPolarHBondContact O-CB 3.38Å; I115-A118 PolarHBondContact O-N 3.49Å; I115-A118 VanDerWaalsContact O-N 3.17Å; I115-M119 HydrophobicContact CG2-CG 4.31Å; I115-M119 WeakPolarHBondContact O-CG 3.39Å; I115-M119 PolarHBondContact O-N 3.4Å; I115-I137 HydrophobicContact CD1-CD1 4.35Å; I115-I137 HydrophobicContact CD1-CG2 4.41Å; I115-I154 HydrophobicContact CD1-CG2 4.48Å; I115-I154 HydrophobicContact CG1-CG2 3.91Å; I115-I200 HydrophobicContact CG2-CD1 3.9Å; I115-I200 HydrophobicContact CG2-CG1 4.05Å; I115-I200 HydrophobicContact CG2-CG2 4.4Å |
| 116 | A | 97.8 | Very high | 95.6 | Very high | 3 Ų | 3 | 34.9 Ų | 34.9 | 3% | 0.025 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.2 | -38.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | L112 M119 R120 F265 F266 L271 | L112-A116 VanDerWaalsContact O-CB 3.24Å; L112-A116 WeakPolarHBondContact O-CB 3.34Å; L112-A116 PolarHBondContact O-N 3.04Å; A116-M119 PolarHBondContact O-N 2.86Å; A116-R120 WeakPolarHBondContact O-CB 3.18Å; A116-R120 PolarHBondContact O-N 3.19Å; A116-F265 HydrophobicContact CB-CE1 3.82Å; A116-F265 HydrophobicContact CB-CZ 3.95Å; A116-F266 HydrophobicContact CB-CD1 4.32Å; A116-F266 WeakPolarHBondContact O-CE1 3.36Å; A116-L271 HydrophobicContact CB-CD1 3.96Å |
| 117 | A | 97.4 | Very high | 95.6 | Very high | 26 Ų | 26 | 31.8 Ų | 31.8 | 22% | 0.215 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.7 | -43.6 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q113 Q114 I115 R120 I121 | Q113-A117 PolarHBondContact O-N 3.11Å; Q114-A117 PolarHBondContact O-N 2.8Å; I115-A117 VanDerWaalsContact C-N 3.34Å; I115-A117 PolarHBondContact O-N 2.84Å; A117-R120 PolarHBondContact O-N 2.77Å; A117-I121 PolarHBondContact O-N 3.31Å |
| 118 | A | 97.8 | Very high | 95.7 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.4 | -43.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | N67 I68 Q114 I115 R120 I121 L122 I156 | N67-A118 HydrophobicContact CB-CB 3.95Å; N67-A118 WeakPolarHBondContact O-CB 3.42Å; I68-A118 HydrophobicContact CG1-CB 4.08Å; Q114-A118 PolarHBondContact O-N 2.74Å; Q114-A118 VanDerWaalsContact O-N 3.12Å; I115-A118 WeakPolarHBondContact O-CB 3.38Å; I115-A118 PolarHBondContact O-N 3.49Å; I115-A118 VanDerWaalsContact O-N 3.17Å; A118-R120 VanDerWaalsContact C-N 3.26Å; A118-R120 PolarHBondContact O-N 3.26Å; A118-I121 WeakPolarHBondContact O-CG2 3.5Å; A118-I121 PolarHBondContact O-N 3.46Å; A118-L122 WeakPolarHBondContact O-CD1 3.32Å; A118-L122 PolarHBondContact O-N 2.8Å; A118-L122 VanDerWaalsContact O-N 3.12Å; A118-I156 HydrophobicContact CB-CD1 3.57Å; A118-I156 HydrophobicContact CB-CG1 4.05Å |
| 119 | M | 97.7 | Very high | 95.7 | Very high | 1 Ų | 1 | 31.6 Ų | 31.6 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -64.9 | -29.7 | 177.8 | -67.8 | -47.7 | -62.1 | 0 | 0 | 112.8 | I115 A116 L122 H123 L132 I156 D196 I200 F262 F266 | I115-M119 HydrophobicContact CG2-CG 4.31Å; I115-M119 WeakPolarHBondContact O-CG 3.39Å; I115-M119 PolarHBondContact O-N 3.4Å; A116-M119 PolarHBondContact O-N 2.86Å; M119-L122 HydrophobicContact CE-CD2 4.1Å; M119-L122 PolarHBondContact O-N 2.82Å; M119-L122 HydrophobicContact SD-CD2 4.03Å; M119-H123 VanDerWaalsContact O-CB 3.27Å; M119-H123 WeakPolarHBondContact O-CB 3.34Å; M119-H123 PolarHBondContact O-N 3.33Å; M119-L132 HydrophobicContact CE-CD1 4.26Å; M119-L132 HydrophobicContact SD-CD1 3.88Å; M119-I156 HydrophobicContact SD-CD1 4.01Å; M119-D196 HydrophobicContact CE-CB 3.64Å; M119-I200 HydrophobicContact CE-CD1 4.42Å; M119-I200 HydrophobicContact CG-CD1 3.49Å; M119-I200 VanDerWaalsContact CG-CD1 3.49Å; M119-I200 HydrophobicContact SD-CD1 3.97Å; M119-F262 HydrophobicContact CB-CE1 4.44Å; M119-F262 HydrophobicContact CE-CE1 3.95Å; M119-F262 HydrophobicContact CE-CZ 4.34Å; M119-F266 HydrophobicContact CB-CE1 4Å; M119-F266 HydrophobicContact CB-CZ 4.3Å |
| 120 | R | 96.3 | Very high | 95.6 | Very high | 127 Ų | 127 | 30.8 Ų | 30.8 | 48% | 0.479 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -66 | -41.2 | 176.6 | -164.4 | 177.6 | -66.4 | 150.6 | -3.6 | 112.5 | A116 A117 A118 S124 F266 | A116-R120 WeakPolarHBondContact O-CB 3.18Å; A116-R120 PolarHBondContact O-N 3.19Å; A117-R120 PolarHBondContact O-N 2.77Å; A118-R120 VanDerWaalsContact C-N 3.26Å; A118-R120 PolarHBondContact O-N 3.26Å; R120-S124 WeakPolarHBondContact O-CB 3.47Å; R120-S124 PolarHBondContact O-N 2.84Å; R120-S124 PolarHBondContact O-OG 3.42Å; R120-F266 HydrophobicContact CB-CD1 4.46Å; R120-F266 HydrophobicContact CB-CE1 3.9Å; R120-F266 HydrophobicContact CB-CE2 4.12Å; R120-F266 HydrophobicContact CB-CZ 3.73Å; R120-F266 HydrophobicContact CG-CD2 4.31Å; R120-F266 HydrophobicContact CG-CE2 3.99Å; R120-F266 HydrophobicContact CG-CZ 4.14Å |
| 121 | I | 96.2 | Very high | 95.6 | Very high | 38 Ų | 38 | 28.7 Ų | 28.7 | 20% | 0.195 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -70.3 | -37.6 | 172.9 | -176.2 | 61.7 | 0 | 0 | 0 | 112 | L63 H65 I68 A117 A118 S124 K125 | L63-I121 HydrophobicContact CD2-CG1 4.02Å; H65-I121 HydrophobicContact CB-CG2 3.81Å; I68-I121 HydrophobicContact CD1-CG2 3.73Å; A117-I121 PolarHBondContact O-N 3.31Å; A118-I121 WeakPolarHBondContact O-CG2 3.5Å; A118-I121 PolarHBondContact O-N 3.46Å; I121-S124 WeakPolarHBondContact CA-OG 3.31Å; I121-S124 PolarHBondContact O-OG 2.96Å; I121-S124 VanDerWaalsContact O-OG 3.04Å; I121-K125 HydrophobicContact CD1-CG 4.1Å; I121-K125 WeakPolarHBondContact O-CB 3.02Å; I121-K125 WeakPolarHBondContact O-CG 3.2Å; I121-K125 PolarHBondContact O-N 2.91Å |
| 122 | L | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.1 | -52.1 | 172.1 | -96 | 68.4 | 0 | 0 | 0 | 111.8 | L63 I68 A118 M119 S124 K125 G126 V127 H129 F159 | L63-L122 HydrophobicContact CD1-CD1 3.77Å; L63-L122 HydrophobicContact CD1-CG 4.25Å; L63-L122 HydrophobicContact CD2-CD1 4.24Å; I68-L122 HydrophobicContact CD1-CD1 3.51Å; A118-L122 WeakPolarHBondContact O-CD1 3.32Å; A118-L122 PolarHBondContact O-N 2.8Å; A118-L122 VanDerWaalsContact O-N 3.12Å; M119-L122 HydrophobicContact CE-CD2 4.1Å; M119-L122 PolarHBondContact O-N 2.82Å; M119-L122 HydrophobicContact SD-CD2 4.03Å; L122-S124 PolarHBondContact O-N 3.17Å; L122-K125 CarbonylContact O-C 3.48Å; L122-K125 PolarHBondContact O-N 2.79Å; L122-K125 VanDerWaalsContact O-N 3.09Å; L122-G126 PolarHBondContact O-N 2.96Å; L122-V127 CarbonylContact C-O 3.47Å; L122-V127 WeakPolarHBondContact CB-O 3.43Å; L122-V127 HydrophobicContact CG-CB 4.37Å; L122-V127 HydrophobicContact CG-CG1 4.28Å; L122-V127 PolarHBondContact O-N 2.74Å; L122-H129 HydrophobicContact CD2-CB 4.06Å; L122-F159 HydrophobicContact CD1-CE1 4.04Å; L122-F159 HydrophobicContact CD1-CZ 4.2Å; L122-F159 HydrophobicContact CD2-CE1 4.18Å; L122-F159 HydrophobicContact CG-CE1 4.35Å |
| 123 | H | 94.6 | Very high | 95.6 | Very high | 76 Ų | 76 | 30 Ų | 30 | 35% | 0.352 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -59.6 | -48.1 | -179.1 | -173.1 | -117.9 | 0 | 0 | 0 | 111.9 | M119 K125 G126 F262 F266 | M119-H123 VanDerWaalsContact O-CB 3.27Å; M119-H123 WeakPolarHBondContact O-CB 3.34Å; M119-H123 PolarHBondContact O-N 3.33Å; H123-K125 PolarHBondContact O-N 2.83Å; H123-K125 VanDerWaalsContact O-N 3.15Å; H123-G126 PolarHBondContact O-N 3.12Å; H123-F262 HydrophobicContact CB-CD1 4.19Å; H123-F262 HydrophobicContact CB-CE1 4.49Å; H123-F262 HydrophobicContact CB-CG 4.44Å; H123-F262 AromaticContact CD2-CD2 3.47Å; H123-F262 VanDerWaalsContact CD2-CD2 3.47Å; H123-F262 WeakPolarHBondContact CD2-CD2 3.38Å; H123-F262 AromaticContact CD2-CE2 3.93Å; H123-F262 AromaticContact CD2-CG 3.58Å; H123-F262 AromaticContact CG-CG 3.86Å; H123-F262 AromaticContact NE2-CD2 3.59Å; H123-F262 AromaticContact NE2-CG 3.79Å; H123-F266 HydrophobicContact CB-CE2 4.47Å; H123-F266 HydrophobicContact CB-CZ 4.34Å |
| 124 | S | 93.9 | Very high | 95.6 | Very high | 87 Ų | 87 | 27.1 Ų | 27.1 | 61% | 0.608 | 14% | 0.141 | S | C | * | . | H | α-helix | trans | -64.1 | -16 | 176.4 | 61.4 | 0 | 0 | 0 | 0 | 114.9 | R120 I121 L122 | R120-S124 WeakPolarHBondContact O-CB 3.47Å; R120-S124 PolarHBondContact O-N 2.84Å; R120-S124 PolarHBondContact O-OG 3.42Å; I121-S124 WeakPolarHBondContact CA-OG 3.31Å; I121-S124 PolarHBondContact O-OG 2.96Å; I121-S124 VanDerWaalsContact O-OG 3.04Å; L122-S124 PolarHBondContact O-N 3.17Å |
| 125 | K | 92.9 | Very high | 95.5 | Very high | 96 Ų | 96 | 29.7 Ų | 29.7 | 42% | 0.417 | 15% | 0.153 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -97.8 | -2 | 173.1 | -67.3 | -71.1 | -172.6 | 173.4 | 0 | 113.2 | L63 I121 L122 H123 V127 | L63-K125 HydrophobicContact CD2-CB 4.35Å; L63-K125 HydrophobicContact CD2-CG 3.96Å; I121-K125 HydrophobicContact CD1-CG 4.1Å; I121-K125 WeakPolarHBondContact O-CB 3.02Å; I121-K125 WeakPolarHBondContact O-CG 3.2Å; I121-K125 PolarHBondContact O-N 2.91Å; L122-K125 CarbonylContact O-C 3.48Å; L122-K125 PolarHBondContact O-N 2.79Å; L122-K125 VanDerWaalsContact O-N 3.09Å; H123-K125 PolarHBondContact O-N 2.83Å; H123-K125 VanDerWaalsContact O-N 3.15Å; K125-V127 HydrophobicContact CB-CG2 3.91Å; K125-V127 PolarHBondContact O-N 2.81Å |
| 126 | G | 92.6 | Very high | 95.4 | Very high | 24 Ų | 24 | 30.1 Ų | 30.1 | 25% | 0.247 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 61.7 | 31.8 | -171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L122 H123 Y164 L165 | L122-G126 PolarHBondContact O-N 2.96Å; H123-G126 PolarHBondContact O-N 3.12Å; G126-Y164 CarbonylContact O-C 3.53Å; G126-Y164 VanDerWaalsContact O-CA 3.3Å; G126-Y164 WeakPolarHBondContact O-CA 3.5Å; G126-L165 PolarHBondContact O-N 3.14Å |
| 127 | V | 93.6 | Very high | 95.4 | Very high | 6 Ų | 6 | 30.1 Ų | 30.1 | 4% | 0.036 | 16% | 0.155 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.9 | 129.3 | 179.6 | 176.8 | 0 | 0 | 0 | 0 | 110.1 | I59 L63 L122 K125 A162 R163 Y164 | I59-V127 HydrophobicContact CD1-CG1 4.46Å; I59-V127 HydrophobicContact CG2-CG1 3.91Å; L63-V127 HydrophobicContact CD1-CG1 4.3Å; L122-V127 CarbonylContact C-O 3.47Å; L122-V127 WeakPolarHBondContact CB-O 3.43Å; L122-V127 HydrophobicContact CG-CB 4.37Å; L122-V127 HydrophobicContact CG-CG1 4.28Å; L122-V127 PolarHBondContact O-N 2.74Å; K125-V127 HydrophobicContact CB-CG2 3.91Å; K125-V127 PolarHBondContact O-N 2.81Å; V127-A162 HydrophobicContact CG1-CB 4.37Å; V127-R163 WeakPolarHBondContact CA-O 3.42Å; V127-Y164 HydrophobicContact CG2-CD1 3.74Å; V127-Y164 HydrophobicContact CG2-CE1 3.66Å |
| 128 | I | 94.3 | Very high | 95.4 | Very high | 4 Ų | 4 | 30.8 Ų | 30.8 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 140.5 | 171.5 | 63 | 174.1 | 0 | 0 | 0 | 109.8 | R130 A162 R163 L165 A171 Y191 A193 D196 | I128-R130 HydrophobicContact CB-CG 4.33Å; I128-R130 HydrophobicContact CD1-CG 3.89Å; I128-R130 HydrophobicContact CG1-CG 3.88Å; I128-A162 CarbonylContact O-C 3.43Å; I128-A162 WeakPolarHBondContact O-CA 3.27Å; I128-A162 WeakPolarHBondContact O-CB 3.49Å; I128-R163 HydrophobicContact CD1-CG 3.79Å; I128-R163 HydrophobicContact CG1-CG 3.56Å; I128-R163 PolarHBondContact N-O 2.83Å; I128-R163 PolarHBondContact O-N 2.7Å; I128-L165 HydrophobicContact CD1-CB 4.22Å; I128-L165 HydrophobicContact CD1-CD1 4.48Å; I128-L165 HydrophobicContact CD1-CD2 4.27Å; I128-L165 HydrophobicContact CG1-CB 4.41Å; I128-L165 HydrophobicContact CG2-CB 4.25Å; I128-L165 HydrophobicContact CG2-CD2 4.31Å; I128-A171 HydrophobicContact CD1-CB 4.46Å; I128-Y191 HydrophobicContact CD1-CE2 4.17Å; I128-A193 HydrophobicContact CG2-CB 3.5Å; I128-A193 VanDerWaalsContact CG2-CB 3.5Å; I128-D196 WeakPolarHBondContact CA-OD2 3.49Å |
| 129 | H | 95.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -89.6 | -45.2 | -172 | -168.4 | -89 | 0 | 0 | 0 | 112.8 | L122 D131 L132 A157 F159 F161 D196 | L122-H129 HydrophobicContact CD2-CB 4.06Å; H129-D131 PolarHBondContact CE1-O 3.37Å; H129-D131 PolarHBondContact O-N 3.39Å; H129-L132 HydrophobicContact CB-CD1 4.37Å; H129-L132 HydrophobicContact CB-CD2 4.08Å; H129-L132 HydrophobicContact CB-CG 3.92Å; H129-L132 WeakPolarHBondContact ND1-CD2 3.32Å; H129-L132 PolarHBondContact ND1-N 2.77Å; H129-A157 PolarHBondContact CE1-O 3.1Å; H129-A157 PolarHBondContact NE2-O 3.49Å; H129-F159 AromaticContact CD2-CD1 3.72Å; H129-F159 AromaticContact CD2-CE1 3.64Å; H129-F159 AromaticContact CD2-CG 4Å; H129-F159 AromaticContact CD2-CZ 3.84Å; H129-F159 AromaticContact NE2-CD2 3.9Å; H129-F161 CarbonylContact O-C 3.57Å; H129-D196 PolarHBondContact N-OD2 3.48Å | ||
| 130 | R | 93.4 | Very high | 95.2 | Very high | 23 Ų | 23 | 31.5 Ų | 31.5 | 9% | 0.087 | 16% | 0.159 | C | C | . | . | S | Bend | trans | 66.9 | -9.2 | 174 | -49 | -170.8 | -68.9 | 165.7 | 3.4 | 117.7 | I128 F161 C175 G176 Y191 D196 | I128-R130 HydrophobicContact CB-CG 4.33Å; I128-R130 HydrophobicContact CD1-CG 3.89Å; I128-R130 HydrophobicContact CG1-CG 3.88Å; R130-F161 PolarHBondContact NE-O 3.18Å; R130-F161 PolarHBondContact NH2-O 3.44Å; R130-C175 PolarHBondContact NH1-SG 3.36Å; R130-C175 VanDerWaalsContact NH1-SG 3.4Å; R130-G176 WeakPolarHBondContact O-CA 3.49Å; R130-Y191 VanDerWaalsContact CD-OH 3.27Å; R130-Y191 WeakPolarHBondContact CD-OH 3.27Å; R130-Y191 HydrophobicContact CG-CE2 4.31Å; R130-Y191 PolarHBondContact NH1-OH 3.39Å; R130-D196 PolarHBondContact N-OD1 2.87Å |
| 131 | D | 93.9 | Very high | 94.9 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 14% | 0.142 | C | C | . | . | trans | -131.8 | 49 | 171.6 | -165.8 | 38.3 | 0 | 0 | 0 | 111.7 | H129 K133 N136 F161 G176 S177 | H129-D131 PolarHBondContact CE1-O 3.37Å; H129-D131 PolarHBondContact O-N 3.39Å; D131-K133 IonicContact OD1-NZ 2.7Å; D131-K133 PolarHBondContact OD1-NZ 3.04Å; D131-K133 IonicContact OD2-NZ 2.91Å; D131-K133 PolarHBondContact OD2-NZ 2.81Å; D131-N136 PolarHBondContact O-ND2 2.97Å; D131-N136 PolarHBondContact OD2-ND2 2.67Å; D131-F161 HydrophobicContact CB-CB 4.3Å; D131-F161 HydrophobicContact CB-CD2 3.7Å; D131-F161 HydrophobicContact CB-CE2 4.49Å; D131-F161 HydrophobicContact CB-CG 4.36Å; D131-G176 WeakPolarHBondContact OD1-CA 3.42Å; D131-S177 WeakPolarHBondContact OD1-CB 3.37Å; D131-S177 PolarHBondContact OD1-N 2.91Å; D131-S177 PolarHBondContact OD1-OG 3.25Å | ||
| 132 | L | 97.6 | Very high | 94.1 | Very high | 2 Ų | 2 | 31.5 Ų | 31.5 | 1% | 0.01 | 17% | 0.167 | C | C | . | . | trans | -76.7 | 121.8 | 172.2 | -69.2 | 175.7 | 0 | 0 | 0 | 110.2 | M119 H129 I156 Y180 D196 I200 | M119-L132 HydrophobicContact CE-CD1 4.26Å; M119-L132 HydrophobicContact SD-CD1 3.88Å; H129-L132 HydrophobicContact CB-CD1 4.37Å; H129-L132 HydrophobicContact CB-CD2 4.08Å; H129-L132 HydrophobicContact CB-CG 3.92Å; H129-L132 WeakPolarHBondContact ND1-CD2 3.32Å; H129-L132 PolarHBondContact ND1-N 2.77Å; L132-I156 HydrophobicContact CD2-CD1 4.11Å; L132-I156 HydrophobicContact CD2-CG2 3.72Å; L132-Y180 WeakPolarHBondContact O-CB 3.4Å; L132-D196 HydrophobicContact CD1-CB 3.75Å; L132-I200 HydrophobicContact CD1-CD1 4.03Å; L132-I200 HydrophobicContact CD1-CG1 3.91Å | ||
| 133 | K | 95.9 | Very high | 92.8 | Very high | 29 Ų | 29 | 33.4 Ų | 33.4 | 13% | 0.126 | 19% | 0.187 | C | C | . | . | S | Bend | trans | -160.3 | 164.1 | -178 | 66.8 | -162.3 | -174 | -153.3 | 0 | 109.5 | D131 Q135 N136 I137 S177 Y180 | D131-K133 IonicContact OD1-NZ 2.7Å; D131-K133 PolarHBondContact OD1-NZ 3.04Å; D131-K133 IonicContact OD2-NZ 2.91Å; D131-K133 PolarHBondContact OD2-NZ 2.81Å; K133-Q135 HydrophobicContact CG-CB 4.25Å; K133-Q135 PolarHBondContact O-N 2.97Å; K133-Q135 VanDerWaalsContact O-N 3.17Å; K133-N136 WeakPolarHBondContact CE-ND2 3.29Å; K133-N136 WeakPolarHBondContact CE-OD1 3.3Å; K133-N136 HydrophobicContact CG-CB 4.03Å; K133-N136 PolarHBondContact O-N 3.22Å; K133-I137 WeakPolarHBondContact O-CG1 3.29Å; K133-I137 PolarHBondContact O-N 2.65Å; K133-S177 WeakPolarHBondContact CD-OG 3.44Å; K133-S177 PolarHBondContact NZ-OG 3.4Å; K133-Y180 HydrophobicContact CB-CD1 4.18Å; K133-Y180 HydrophobicContact CB-CD2 3.64Å; K133-Y180 HydrophobicContact CB-CE1 4.37Å; K133-Y180 HydrophobicContact CB-CE2 3.83Å; K133-Y180 HydrophobicContact CB-CG 3.83Å |
| 134 | P | 96.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -58.9 | -32.5 | -176 | -24.6 | 35.7 | 0 | 0 | 0 | 113.8 | L93 A94 N136 I137 Y180 V203 | L93-P134 HydrophobicContact CB-CB 4.1Å; L93-P134 WeakPolarHBondContact CB-O 3.04Å; L93-P134 HydrophobicContact CG-CB 4.29Å; L93-P134 PolarHBondContact N-O 2.89Å; L93-P134 VanDerWaalsContact N-O 3.1Å; A94-P134 HydrophobicContact CB-CB 3.92Å; P134-N136 VanDerWaalsContact C-N 3.26Å; P134-N136 PolarHBondContact O-N 2.99Å; P134-I137 PolarHBondContact O-N 2.88Å; P134-Y180 VanDerWaalsContact CD-CZ 3.49Å; P134-Y180 HydrophobicContact CG-CE1 4.03Å; P134-V203 HydrophobicContact CG-CG2 4.24Å |
| 135 | Q | 94.9 | Very high | 89.8 | Confident | 75 Ų | 75 | 44.1 Ų | 44.1 | 35% | 0.35 | 22% | 0.215 | S | C | . | . | G | 310 helix | trans | -66.2 | -25.9 | 176 | -62.2 | 77.8 | 13.7 | 0 | 0 | 113.6 | A94 K133 | A94-Q135 HydrophobicContact CB-CG 3.98Å; K133-Q135 HydrophobicContact CG-CB 4.25Å; K133-Q135 PolarHBondContact O-N 2.97Å; K133-Q135 VanDerWaalsContact O-N 3.17Å |
| 136 | N | 95.9 | Very high | 88.4 | Confident | 12 Ų | 12 | 47.8 Ų | 47.8 | 6% | 0.064 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -97.7 | 9.6 | 179.7 | -69.6 | 2 | 0 | 0 | 0 | 112.2 | D131 K133 P134 A157 | D131-N136 PolarHBondContact O-ND2 2.97Å; D131-N136 PolarHBondContact OD2-ND2 2.67Å; K133-N136 WeakPolarHBondContact CE-ND2 3.29Å; K133-N136 WeakPolarHBondContact CE-OD1 3.3Å; K133-N136 HydrophobicContact CG-CB 4.03Å; K133-N136 PolarHBondContact O-N 3.22Å; P134-N136 VanDerWaalsContact C-N 3.26Å; P134-N136 PolarHBondContact O-N 2.99Å; N136-A157 WeakPolarHBondContact CB-O 3.39Å; N136-A157 PolarHBondContact O-N 3.33Å |
| 137 | I | 97.8 | Very high | 86.7 | Confident | 3 Ų | 3 | 50.3 Ų | 50.3 | 2% | 0.015 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 98.3 | 178.3 | -63.2 | 168.9 | 0 | 0 | 0 | 107.2 | L93 I115 K133 P134 I154 V203 | L93-I137 HydrophobicContact CB-CB 4.14Å; L93-I137 HydrophobicContact CB-CG2 4.18Å; L93-I137 WeakPolarHBondContact CB-O 3.46Å; L93-I137 HydrophobicContact CD2-CB 4.22Å; L93-I137 HydrophobicContact CD2-CD1 4.37Å; L93-I137 HydrophobicContact CD2-CG2 3.85Å; L93-I137 PolarHBondContact N-O 2.63Å; I115-I137 HydrophobicContact CD1-CD1 4.35Å; I115-I137 HydrophobicContact CD1-CG2 4.41Å; K133-I137 WeakPolarHBondContact O-CG1 3.29Å; K133-I137 PolarHBondContact O-N 2.65Å; P134-I137 PolarHBondContact O-N 2.88Å; I137-I154 HydrophobicContact CG2-CG2 3.45Å; I137-I154 VanDerWaalsContact CG2-CG2 3.45Å; I137-V203 HydrophobicContact CD1-CG1 3.85Å; I137-V203 HydrophobicContact CD1-CG2 4.14Å |
| 138 | L | 97.3 | Very high | 85.6 | Confident | 39 Ų | 39 | 56.4 Ų | 56.4 | 20% | 0.204 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 151.5 | -170.9 | -52.9 | -173.5 | 0 | 0 | 0 | 112.6 | V69 C88 G91 D92 I154 K155 A157 | V69-L138 HydrophobicContact CG2-CD1 3.97Å; C88-L138 HydrophobicContact CB-CB 3.6Å; C88-L138 HydrophobicContact CB-CD1 3.92Å; C88-L138 HydrophobicContact CB-CG 4.4Å; G91-L138 WeakPolarHBondContact O-CA 3.48Å; D92-L138 HydrophobicContact CB-CD2 3.6Å; L138-I154 CarbonylContact O-C 3.54Å; L138-I154 WeakPolarHBondContact O-CA 3.38Å; L138-K155 PolarHBondContact N-O 3.42Å; L138-K155 PolarHBondContact O-N 2.92Å; L138-A157 HydrophobicContact CD1-CB 3.69Å; L138-A157 HydrophobicContact CG-CB 3.81Å |
| 139 | L | 95.7 | Very high | 84.6 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 29% | 0.291 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 132.6 | 177.3 | -76.6 | 72.9 | 0 | 0 | 0 | 110.3 | C88 G90 G91 L93 Y96 I152 I154 | C88-L139 CarbonylContact C-O 3.57Å; C88-L139 WeakPolarHBondContact CB-O 3.35Å; G90-L139 WeakPolarHBondContact CA-O 3.42Å; G90-L139 PolarHBondContact N-O 2.97Å; G91-L139 PolarHBondContact O-N 2.74Å; L93-L139 HydrophobicContact CB-CD1 4.09Å; L93-L139 HydrophobicContact CD1-CD1 4.45Å; Y96-L139 HydrophobicContact CD1-CD2 4.13Å; Y96-L139 HydrophobicContact CD2-CD2 3.42Å; Y96-L139 VanDerWaalsContact CD2-CD2 3.42Å; Y96-L139 HydrophobicContact CE2-CD2 3.91Å; Y96-L139 HydrophobicContact CG-CD2 3.53Å; L139-I152 HydrophobicContact CB-CG2 4.19Å; L139-I152 HydrophobicContact CD2-CG2 3.8Å; L139-I152 HydrophobicContact CG-CG2 3.8Å; L139-I154 HydrophobicContact CD1-CD1 4.18Å; L139-I154 HydrophobicContact CG-CD1 3.98Å |
| 140 | S | 94 | Very high | 83.6 | Confident | 16 Ų | 16 | 63.7 Ų | 63.7 | 11% | 0.112 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.1 | 125.8 | 171.8 | -170.7 | 0 | 0 | 0 | 0 | 110.6 | R153 | S140-R153 PolarHBondContact N-O 3.37Å; S140-R153 WeakPolarHBondContact O-CB 3.22Å; S140-R153 PolarHBondContact O-N 2.82Å |
| 141 | Y | 90.6 | Very high | 83.1 | Confident | 29 Ų | 29 | 63.5 Ų | 63.5 | 11% | 0.114 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 124.2 | 175.6 | -63.7 | -83 | 0 | 0 | 0 | 109.9 | N89 G90 G143 K146 I152 | N89-Y141 PolarHBondContact ND2-O 2.96Å; N89-Y141 VanDerWaalsContact ND2-O 3.11Å; N89-Y141 WeakPolarHBondContact OD1-CD2 3.31Å; N89-Y141 PolarHBondContact OD1-N 3.38Å; G90-Y141 VanDerWaalsContact CA-CE2 3.42Å; Y141-G143 PolarHBondContact O-N 3.27Å; Y141-K146 HydrophobicContact CE1-CB 4.46Å; Y141-K146 HydrophobicContact CE1-CG 4.4Å; Y141-K146 HydrophobicContact CE2-CG 4.29Å; Y141-I152 HydrophobicContact CD1-CG1 4.09Å; Y141-I152 HydrophobicContact CE1-CD1 4.1Å; Y141-I152 HydrophobicContact CE1-CG1 3.64Å |
| 142 | L | 79.2 | Confident | 83 | Confident | 136 Ų | 136 | 63.5 Ų | 63.5 | 71% | 0.712 | 33% | 0.329 | S | S | * | . | S | Bend | trans | -67.2 | -1 | 179.1 | -71.6 | 170.2 | 0 | 0 | 0 | 114.8 | G151 R153 | L142-G151 PolarHBondContact N-O 2.86Å; L142-R153 HydrophobicContact CD1-CG 3.8Å; L142-R153 HydrophobicContact CD2-CG 4.19Å; L142-R153 HydrophobicContact CG-CG 3.77Å |
| 143 | G | 69.2 | Low | 82.9 | Confident | 41 Ų | 41 | 66.5 Ų | 66.5 | 42% | 0.423 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -154.3 | 160.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y141 K145 | Y141-G143 PolarHBondContact O-N 3.27Å; G143-K145 PolarHBondContact O-N 3.04Å |
| 144 | R | 62.1 | Low | 83 | Confident | 215 Ų | 215 | 65.2 Ų | 65.2 | 81% | 0.811 | 33% | 0.334 | S | S | * | . | S | Bend | trans | -67.4 | -4.2 | -175.2 | -56.7 | -172 | -164.6 | -170.4 | 6.2 | 114.8 | E33 | E33-R144 IonicContact OE1-CZ 2.76Å; E33-R144 IonicContact OE1-NH1 3.32Å; E33-R144 PolarHBondContact OE1-NH1 3.43Å; E33-R144 VanDerWaalsContact OE1-NH1 3.08Å; E33-R144 IonicContact OE1-NH2 2.65Å; E33-R144 PolarHBondContact OE1-NH2 2.97Å; E33-R144 IonicContact OE2-NH2 3.8Å; E33-R144 PolarHBondContact OE2-NH2 3.33Å |
| 145 | K | 63.1 | Low | 83 | Confident | 173 Ų | 173 | 66 Ų | 66 | 75% | 0.752 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -106.1 | 129.1 | 174.2 | -69.9 | -175.1 | 178.4 | -179.3 | 0 | 109.8 | G143 S147 | G143-K145 PolarHBondContact O-N 3.04Å; K145-S147 VanDerWaalsContact C-N 3.25Å; K145-S147 PolarHBondContact O-N 2.85Å; K145-S147 PolarHBondContact O-OG 3.3Å |
| 146 | K | 63.9 | Low | 83.2 | Confident | 173 Ų | 173 | 62.4 Ų | 62.4 | 75% | 0.752 | 32% | 0.321 | S | S | * | . | trans | -72.4 | 75.8 | 171.7 | -65 | -174.3 | 179 | -174.4 | 0 | 110.2 | Y141 | Y141-K146 HydrophobicContact CE1-CB 4.46Å; Y141-K146 HydrophobicContact CE1-CG 4.4Å; Y141-K146 HydrophobicContact CE2-CG 4.29Å | ||
| 147 | S | 57.2 | Low | 83.1 | Confident | 77 Ų | 77 | 62.4 Ų | 62.4 | 54% | 0.538 | 32% | 0.322 | S | S | . | . | trans | -131.1 | 122.7 | -174.5 | 52.1 | 0 | 0 | 0 | 0 | 112.7 | K145 | K145-S147 VanDerWaalsContact C-N 3.25Å; K145-S147 PolarHBondContact O-N 2.85Å; K145-S147 PolarHBondContact O-OG 3.3Å | ||
| 148 | N | 69.3 | Low | 82.7 | Confident | 133 Ų | 133 | 65 Ų | 65 | 71% | 0.711 | 34% | 0.337 | S | S | * | . | trans | 63 | 143 | -176.3 | -85.8 | -10.8 | 0 | 0 | 0 | 117.8 | S150 G151 | N148-S150 VanDerWaalsContact C-N 3.27Å; N148-S150 PolarHBondContact O-N 3.4Å; N148-G151 PolarHBondContact O-N 2.84Å; N148-G151 VanDerWaalsContact O-N 3.07Å | ||
| 149 | I | 74.8 | Confident | 82.4 | Confident | 61 Ų | 61 | 63.2 Ų | 63.2 | 31% | 0.313 | 33% | 0.327 | S | S | . | . | G | 310 helix | trans | -62 | -35.2 | 178.4 | -67.1 | 152.3 | 0 | 0 | 0 | 111.2 | T107 F111 G151 I152 | T107-I149 HydrophobicContact CG2-CG2 3.94Å; F111-I149 HydrophobicContact CE1-CG2 4.42Å; I149-G151 PolarHBondContact O-N 2.69Å; I149-I152 WeakPolarHBondContact O-CB 3.35Å; I149-I152 PolarHBondContact O-N 3.14Å |
| 150 | S | 73.8 | Confident | 82 | Confident | 96 Ų | 96 | 64 Ų | 64 | 67% | 0.671 | 34% | 0.335 | S | S | * | . | G | 310 helix | trans | -65 | -13.3 | 174.9 | 51.3 | 0 | 0 | 0 | 0 | 114.5 | N148 | N148-S150 VanDerWaalsContact C-N 3.27Å; N148-S150 PolarHBondContact O-N 3.4Å |
| 151 | G | 83.2 | Confident | 81.6 | Confident | 19 Ų | 19 | 64.2 Ų | 64.2 | 20% | 0.196 | 33% | 0.334 | C | S | . | . | G | 310 helix | trans | -86.3 | -3.3 | 171.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | L142 N148 I149 | L142-G151 PolarHBondContact N-O 2.86Å; N148-G151 PolarHBondContact O-N 2.84Å; N148-G151 VanDerWaalsContact O-N 3.07Å; I149-G151 PolarHBondContact O-N 2.69Å |
| 152 | I | 91.8 | Very high | 81.6 | Confident | 5 Ų | 5 | 63 Ų | 63 | 3% | 0.026 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.7 | 120.4 | -178.4 | -55.7 | 177.4 | 0 | 0 | 0 | 110 | Y96 F111 Q114 L139 Y141 I149 I154 | Y96-I152 HydrophobicContact CE2-CD1 4.13Å; F111-I152 HydrophobicContact CE1-CB 4.06Å; F111-I152 HydrophobicContact CE1-CD1 4.22Å; F111-I152 HydrophobicContact CE1-CG2 3.82Å; F111-I152 HydrophobicContact CZ-CD1 4.03Å; F111-I152 HydrophobicContact CZ-CG2 3.99Å; Q114-I152 PolarHBondContact NE2-O 3.43Å; L139-I152 HydrophobicContact CB-CG2 4.19Å; L139-I152 HydrophobicContact CD2-CG2 3.8Å; L139-I152 HydrophobicContact CG-CG2 3.8Å; Y141-I152 HydrophobicContact CD1-CG1 4.09Å; Y141-I152 HydrophobicContact CE1-CD1 4.1Å; Y141-I152 HydrophobicContact CE1-CG1 3.64Å; I149-I152 WeakPolarHBondContact O-CB 3.35Å; I149-I152 PolarHBondContact O-N 3.14Å; I152-I154 HydrophobicContact CG2-CD1 4.05Å |
| 153 | R | 94.8 | Very high | 82 | Confident | 65 Ų | 65 | 59.7 Ų | 59.7 | 25% | 0.245 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 122 | 175.8 | -63.9 | -77.1 | -72.3 | -153.1 | -19.6 | 109.4 | E66 Q114 S140 L142 | E66-R153 IonicContact OE1-CZ 3.67Å; E66-R153 IonicContact OE1-NH1 2.79Å; E66-R153 PolarHBondContact OE1-NH1 3.37Å; E66-R153 IonicContact OE1-NH2 2.69Å; E66-R153 PolarHBondContact OE1-NH2 3.32Å; E66-R153 IonicContact OE2-CZ 3.04Å; E66-R153 IonicContact OE2-NH1 3.35Å; E66-R153 PolarHBondContact OE2-NH1 2.99Å; E66-R153 IonicContact OE2-NH2 2.7Å; E66-R153 PolarHBondContact OE2-NH2 2.85Å; Q114-R153 VanDerWaalsContact OE1-CA 3.28Å; S140-R153 PolarHBondContact N-O 3.37Å; S140-R153 WeakPolarHBondContact O-CB 3.22Å; S140-R153 PolarHBondContact O-N 2.82Å; L142-R153 HydrophobicContact CD1-CG 3.8Å; L142-R153 HydrophobicContact CD2-CG 4.19Å; L142-R153 HydrophobicContact CG-CG 3.77Å |
| 154 | I | 96.9 | Very high | 82.9 | Confident | 2 Ų | 2 | 61.2 Ų | 61.2 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.2 | 137.4 | -179.3 | -60 | -58.6 | 0 | 0 | 0 | 109.9 | N67 F111 Q114 I115 I137 L138 L139 I152 | N67-I154 VanDerWaalsContact CA-O 3.24Å; N67-I154 WeakPolarHBondContact CA-O 3.33Å; N67-I154 VanDerWaalsContact CB-O 3.31Å; N67-I154 WeakPolarHBondContact CB-O 3.47Å; N67-I154 PolarHBondContact ND2-O 3.42Å; F111-I154 HydrophobicContact CB-CD1 4.45Å; F111-I154 HydrophobicContact CB-CG1 4.06Å; F111-I154 HydrophobicContact CD1-CD1 3.88Å; F111-I154 HydrophobicContact CD1-CG1 3.87Å; F111-I154 HydrophobicContact CD2-CD1 3.93Å; F111-I154 HydrophobicContact CD2-CG1 4.45Å; F111-I154 HydrophobicContact CE1-CD1 4.04Å; F111-I154 HydrophobicContact CE1-CG1 4.44Å; F111-I154 HydrophobicContact CE2-CD1 4.08Å; F111-I154 HydrophobicContact CG-CD1 3.83Å; F111-I154 HydrophobicContact CG-CG1 3.88Å; F111-I154 HydrophobicContact CZ-CD1 4.14Å; Q114-I154 HydrophobicContact CB-CB 4Å; Q114-I154 HydrophobicContact CB-CG1 4.47Å; I115-I154 HydrophobicContact CD1-CG2 4.48Å; I115-I154 HydrophobicContact CG1-CG2 3.91Å; I137-I154 HydrophobicContact CG2-CG2 3.45Å; I137-I154 VanDerWaalsContact CG2-CG2 3.45Å; L138-I154 CarbonylContact O-C 3.54Å; L138-I154 WeakPolarHBondContact O-CA 3.38Å; L139-I154 HydrophobicContact CD1-CD1 4.18Å; L139-I154 HydrophobicContact CG-CD1 3.98Å; I152-I154 HydrophobicContact CG2-CD1 4.05Å |
| 155 | K | 97.8 | Very high | 83.9 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 7% | 0.065 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 124.7 | 180 | -76 | 172.3 | 171.7 | -83 | 0 | 112.3 | E66 N67 I68 V69 E86 L138 | E66-K155 VanDerWaalsContact O-CE 3.23Å; E66-K155 WeakPolarHBondContact O-CE 3.46Å; E66-K155 PolarHBondContact O-NZ 3.33Å; N67-K155 WeakPolarHBondContact O-CA 3.16Å; I68-K155 PolarHBondContact O-NZ 3.03Å; V69-K155 HydrophobicContact CG2-CB 3.99Å; E86-K155 VanDerWaalsContact CD-CE 3.43Å; E86-K155 WeakPolarHBondContact OE1-CE 3.3Å; E86-K155 IonicContact OE1-NZ 3.41Å; E86-K155 PolarHBondContact OE1-NZ 3.37Å; E86-K155 WeakPolarHBondContact OE2-CE 3.31Å; E86-K155 IonicContact OE2-NZ 2.88Å; E86-K155 PolarHBondContact OE2-NZ 3.19Å; L138-K155 PolarHBondContact N-O 3.42Å; L138-K155 PolarHBondContact O-N 2.92Å |
| 156 | I | 98.1 | Very high | 84.2 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 137.8 | 172.3 | -57.8 | -176.2 | 0 | 0 | 0 | 109.7 | N67 V69 A118 M119 L132 F159 | N67-I156 PolarHBondContact O-N 3.46Å; V69-I156 PolarHBondContact N-O 3.38Å; A118-I156 HydrophobicContact CB-CD1 3.57Å; A118-I156 HydrophobicContact CB-CG1 4.05Å; M119-I156 HydrophobicContact SD-CD1 4.01Å; L132-I156 HydrophobicContact CD2-CD1 4.11Å; L132-I156 HydrophobicContact CD2-CG2 3.72Å; I156-F159 HydrophobicContact CG2-CE2 4.01Å; I156-F159 HydrophobicContact CG2-CZ 3.99Å |
| 157 | A | 94.9 | Very high | 84.1 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 10% | 0.099 | 27% | 0.27 | C | S | . | . | trans | -138.1 | 168.5 | -173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | V69 H129 N136 L138 | V69-A157 HydrophobicContact CB-CB 4.45Å; V69-A157 HydrophobicContact CG2-CB 3.68Å; H129-A157 PolarHBondContact CE1-O 3.1Å; H129-A157 PolarHBondContact NE2-O 3.49Å; N136-A157 WeakPolarHBondContact CB-O 3.39Å; N136-A157 PolarHBondContact O-N 3.33Å; L138-A157 HydrophobicContact CD1-CB 3.69Å; L138-A157 HydrophobicContact CG-CB 3.81Å | ||
| 158 | D | 89.6 | Confident | 84.4 | Confident | 59 Ų | 59 | 51 Ų | 51 | 32% | 0.316 | 28% | 0.28 | S | S | . | . | trans | 60.1 | 64.5 | 178.3 | -158.1 | 23.5 | 0 | 0 | 0 | 115.7 | K39 G160 | K39-D158 IonicContact NZ-OD1 3.24Å; K39-D158 PolarHBondContact NZ-OD1 2.98Å; D158-G160 PolarHBondContact O-N 3.43Å | ||
| 159 | F | 91.8 | Very high | 84.3 | Confident | 1 Ų | 1 | 48.7 Ų | 48.7 | 0% | 0.004 | 27% | 0.265 | C | S | . | . | G | 310 helix | trans | -73.8 | 18.3 | 176.6 | -73.1 | -106.5 | 0 | 0 | 0 | 113.3 | E56 I59 L60 L63 I68 L122 H129 I156 F161 A162 | E56-F159 HydrophobicContact CG-CB 4.18Å; I59-F159 HydrophobicContact CG2-CB 4.49Å; I59-F159 HydrophobicContact CG2-CD1 3.66Å; I59-F159 HydrophobicContact CG2-CE1 4.32Å; I59-F159 HydrophobicContact CG2-CG 4.38Å; L60-F159 HydrophobicContact CD2-CB 4.26Å; L60-F159 HydrophobicContact CD2-CD2 3.55Å; L60-F159 HydrophobicContact CD2-CE2 4.06Å; L60-F159 HydrophobicContact CD2-CG 3.95Å; L60-F159 HydrophobicContact CG-CB 4.23Å; L60-F159 HydrophobicContact CG-CD2 4.43Å; L60-F159 HydrophobicContact CG-CG 4.43Å; L63-F159 HydrophobicContact CD1-CD1 3.97Å; L63-F159 HydrophobicContact CD1-CE1 3.37Å; L63-F159 HydrophobicContact CD1-CZ 4.02Å; I68-F159 HydrophobicContact CD1-CZ 4.34Å; I68-F159 HydrophobicContact CG1-CZ 4.5Å; I68-F159 HydrophobicContact CG2-CE2 3.83Å; I68-F159 HydrophobicContact CG2-CZ 3.89Å; L122-F159 HydrophobicContact CD1-CE1 4.04Å; L122-F159 HydrophobicContact CD1-CZ 4.2Å; L122-F159 HydrophobicContact CD2-CE1 4.18Å; L122-F159 HydrophobicContact CG-CE1 4.35Å; H129-F159 AromaticContact CD2-CD1 3.72Å; H129-F159 AromaticContact CD2-CE1 3.64Å; H129-F159 AromaticContact CD2-CG 4Å; H129-F159 AromaticContact CD2-CZ 3.84Å; H129-F159 AromaticContact NE2-CD2 3.9Å; I156-F159 HydrophobicContact CG2-CE2 4.01Å; I156-F159 HydrophobicContact CG2-CZ 3.99Å; F159-F161 PolarHBondContact O-N 3.11Å; F159-A162 HydrophobicContact CB-CB 3.88Å; F159-A162 HydrophobicContact CD1-CB 3.72Å; F159-A162 HydrophobicContact CG-CB 4.25Å; F159-A162 VanDerWaalsContact O-CB 3.31Å; F159-A162 WeakPolarHBondContact O-CB 3.13Å; F159-A162 PolarHBondContact O-N 3.47Å |
| 160 | G | 85.9 | Confident | 83.8 | Confident | 15 Ų | 15 | 50.3 Ų | 50.3 | 16% | 0.155 | 27% | 0.273 | C | S | . | . | G | 310 helix | trans | -61.9 | -23.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.6 | D158 | D158-G160 PolarHBondContact O-N 3.43Š|
| 161 | F | 85.9 | Confident | 83 | Confident | 22 Ų | 22 | 45.9 Ų | 45.9 | 10% | 0.096 | 24% | 0.242 | C | C | . | . | G | 310 helix | trans | -102.3 | -0.9 | 171.8 | -64.2 | -71.5 | 0 | 0 | 0 | 113.7 | H129 R130 D131 F159 C175 V356 V358 | H129-F161 CarbonylContact O-C 3.57Å; R130-F161 PolarHBondContact NE-O 3.18Å; R130-F161 PolarHBondContact NH2-O 3.44Å; D131-F161 HydrophobicContact CB-CB 4.3Å; D131-F161 HydrophobicContact CB-CD2 3.7Å; D131-F161 HydrophobicContact CB-CE2 4.49Å; D131-F161 HydrophobicContact CB-CG 4.36Å; F159-F161 PolarHBondContact O-N 3.11Å; F161-C175 HydrophobicContact CD1-CB 3.77Å; F161-C175 HydrophobicContact CE1-CB 4.18Å; F161-C175 HydrophobicContact CG-CB 4.47Å; F161-V356 HydrophobicContact CE1-CB 4.33Å; F161-V356 HydrophobicContact CE1-CG1 4.24Å; F161-V358 HydrophobicContact CZ-CG2 4.23Å |
| 162 | A | 90.8 | Very high | 82.1 | Confident | 2 Ų | 2 | 47 Ų | 47 | 2% | 0.017 | 25% | 0.25 | C | C | . | . | trans | -68.8 | 150.5 | -176.4 | 0 | 0 | 0 | 0 | 0 | 112 | I59 V127 I128 F159 | I59-A162 HydrophobicContact CD1-CB 3.81Å; I59-A162 HydrophobicContact CG2-CB 4.36Å; V127-A162 HydrophobicContact CG1-CB 4.37Å; I128-A162 CarbonylContact O-C 3.43Å; I128-A162 WeakPolarHBondContact O-CA 3.27Å; I128-A162 WeakPolarHBondContact O-CB 3.49Å; F159-A162 HydrophobicContact CB-CB 3.88Å; F159-A162 HydrophobicContact CD1-CB 3.72Å; F159-A162 HydrophobicContact CG-CB 4.25Å; F159-A162 VanDerWaalsContact O-CB 3.31Å; F159-A162 WeakPolarHBondContact O-CB 3.13Å; F159-A162 PolarHBondContact O-N 3.47Å | ||
| 163 | R | 87.9 | Confident | 81.2 | Confident | 68 Ų | 68 | 47.5 Ų | 47.5 | 26% | 0.257 | 25% | 0.253 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.9 | 157.9 | 173.5 | 66.9 | 178.1 | -71.1 | 161.6 | 1.3 | 111.8 | V127 I128 | V127-R163 WeakPolarHBondContact CA-O 3.42Å; I128-R163 HydrophobicContact CD1-CG 3.79Å; I128-R163 HydrophobicContact CG1-CG 3.56Å; I128-R163 PolarHBondContact N-O 2.83Å; I128-R163 PolarHBondContact O-N 2.7Å |
| 164 | Y | 87.8 | Confident | 80.4 | Confident | 72 Ų | 72 | 46.3 Ų | 46.3 | 28% | 0.282 | 25% | 0.251 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 140.9 | 160.8 | -58.2 | -89 | 0 | 0 | 0 | 109.7 | K58 I59 E62 G126 V127 | K58-Y164 HydrophobicContact CD-CE2 4.11Å; K58-Y164 WeakPolarHBondContact CE-OH 3.27Å; I59-Y164 HydrophobicContact CD1-CD2 4.41Å; I59-Y164 HydrophobicContact CD1-CE2 4.1Å; I59-Y164 HydrophobicContact CG1-CD2 4.3Å; I59-Y164 HydrophobicContact CG1-CE2 3.53Å; E62-Y164 PolarHBondContact OE1-OH 2.85Å; E62-Y164 PolarHBondContact OE2-OH 2.64Å; G126-Y164 CarbonylContact O-C 3.53Å; G126-Y164 VanDerWaalsContact O-CA 3.3Å; G126-Y164 WeakPolarHBondContact O-CA 3.5Å; V127-Y164 HydrophobicContact CG2-CD1 3.74Å; V127-Y164 HydrophobicContact CG2-CE1 3.66Å |
| 165 | L | 82 | Confident | 79.5 | Confident | 20 Ų | 20 | 46.4 Ų | 46.4 | 11% | 0.105 | 25% | 0.252 | C | S | . | . | trans | -130.6 | 120.6 | 171.3 | -168.7 | 75.8 | 0 | 0 | 0 | 107.1 | G126 I128 M169 A171 D192 | G126-L165 PolarHBondContact O-N 3.14Å; I128-L165 HydrophobicContact CD1-CB 4.22Å; I128-L165 HydrophobicContact CD1-CD1 4.48Å; I128-L165 HydrophobicContact CD1-CD2 4.27Å; I128-L165 HydrophobicContact CG1-CB 4.41Å; I128-L165 HydrophobicContact CG2-CB 4.25Å; I128-L165 HydrophobicContact CG2-CD2 4.31Å; L165-M169 HydrophobicContact CD1-CB 4.29Å; L165-M169 WeakPolarHBondContact CD1-O 3.4Å; L165-M169 WeakPolarHBondContact CD2-O 3.46Å; L165-M169 WeakPolarHBondContact CG-O 3.36Å; L165-A171 HydrophobicContact CD1-CB 4.24Å; L165-D192 HydrophobicContact CD2-CB 4.37Å | ||
| 166 | Q | 70.8 | Confident | 78.8 | Confident | 129 Ų | 129 | 46.2 Ų | 46.2 | 60% | 0.603 | 25% | 0.254 | S | S | * | . | trans | -72.3 | 146.1 | 171.8 | -64.7 | -178.7 | -11.3 | 0 | 0 | 109 | N168 M169 | Q166-N168 WeakPolarHBondContact CB-OD1 3.22Å; Q166-N168 PolarHBondContact O-N 3.1Å; Q166-M169 HydrophobicContact CB-CB 4.44Å; Q166-M169 HydrophobicContact CB-CG 4Å; Q166-M169 HydrophobicContact CB-SD 4.07Å; Q166-M169 HydrophobicContact CG-SD 4.27Å; Q166-M169 PolarHBondContact O-N 3.47Å | ||
| 167 | S | 61.3 | Low | 78.3 | Confident | 137 Ų | 137 | 46.8 Ų | 46.8 | 96% | 0.958 | 26% | 0.258 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.6 | -6.9 | -169.9 | -42.5 | 0 | 0 | 0 | 0 | 115.7 | ||
| 168 | N | 63.3 | Low | 78.1 | Confident | 139 Ų | 139 | 47 Ų | 47 | 74% | 0.743 | 26% | 0.259 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -114.5 | 4.8 | 176.8 | 64.8 | -26.6 | 0 | 0 | 0 | 113.5 | Q166 | Q166-N168 WeakPolarHBondContact CB-OD1 3.22Å; Q166-N168 PolarHBondContact O-N 3.1Å |
| 169 | M | 66.6 | Low | 78.2 | Confident | 83 Ų | 83 | 48.4 Ų | 48.4 | 41% | 0.409 | 26% | 0.264 | S | S | . | . | trans | -111.8 | 152.7 | -179.2 | -64.1 | -172 | 84.4 | 0 | 0 | 111.4 | L165 Q166 | L165-M169 HydrophobicContact CD1-CB 4.29Å; L165-M169 WeakPolarHBondContact CD1-O 3.4Å; L165-M169 WeakPolarHBondContact CD2-O 3.46Å; L165-M169 WeakPolarHBondContact CG-O 3.36Å; Q166-M169 HydrophobicContact CB-CB 4.44Å; Q166-M169 HydrophobicContact CB-CG 4Å; Q166-M169 HydrophobicContact CB-SD 4.07Å; Q166-M169 HydrophobicContact CG-SD 4.27Å; Q166-M169 PolarHBondContact O-N 3.47Å | ||
| 170 | M | 64.2 | Low | 78.4 | Confident | 96 Ų | 96 | 48.9 Ų | 48.9 | 47% | 0.473 | 27% | 0.266 | S | S | . | . | trans | -117.2 | 149 | 169.1 | -68.7 | 178.3 | 176.5 | 0 | 0 | 110.1 | N190 Y191 | M170-N190 HydrophobicContact CB-CB 3.84Å; M170-N190 HydrophobicContact CG-CB 4.47Å; M170-N190 HydrophobicContact SD-CB 3.82Å; M170-Y191 CarbonylContact C-O 3.53Å; M170-Y191 WeakPolarHBondContact CA-O 3.49Å; M170-Y191 WeakPolarHBondContact CB-O 3.18Å | ||
| 171 | A | 57.2 | Low | 78.9 | Confident | 2 Ų | 2 | 48.7 Ų | 48.7 | 2% | 0.017 | 26% | 0.261 | C | S | . | . | B | Isolated β-bridge | trans | -92.3 | 153.7 | 170.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | I128 L165 N190 Y191 | I128-A171 HydrophobicContact CD1-CB 4.46Å; L165-A171 HydrophobicContact CD1-CB 4.24Å; A171-N190 CarbonylContact O-C 3.58Å; A171-N190 WeakPolarHBondContact O-CA 3.44Å; A171-Y191 HydrophobicContact CB-CD2 4.16Å; A171-Y191 HydrophobicContact CB-CE1 4.17Å; A171-Y191 HydrophobicContact CB-CE2 3.61Å; A171-Y191 PolarHBondContact N-O 2.87Å; A171-Y191 VanDerWaalsContact O-CD1 3.23Å; A171-Y191 WeakPolarHBondContact O-CD1 3.42Å; A171-Y191 PolarHBondContact O-N 2.85Å |
| 172 | A | 63.9 | Low | 79.3 | Confident | 44 Ų | 44 | 47.7 Ų | 47.7 | 36% | 0.364 | 26% | 0.257 | S | S | . | . | trans | -129 | 3.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | L174 | A172-L174 PolarHBondContact O-N 3.16Š| ||
| 173 | T | 73.3 | Confident | 79.6 | Confident | 14 Ų | 14 | 47.6 Ų | 47.6 | 9% | 0.086 | 26% | 0.256 | C | S | . | . | trans | -66.5 | 119.6 | 176.8 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | C175 Y191 D354 F355 | T173-C175 HydrophobicContact CG2-CB 3.98Å; T173-C175 PolarHBondContact O-N 2.75Å; T173-Y191 VanDerWaalsContact O-CE1 3.3Å; T173-Y191 WeakPolarHBondContact O-CE1 3.42Å; T173-Y191 PolarHBondContact O-OH 3.04Å; T173-D354 WeakPolarHBondContact CG2-O 3.34Å; T173-D354 PolarHBondContact OG1-O 3.13Å; T173-F355 HydrophobicContact CG2-CD1 4.43Å | ||
| 174 | L | 77.8 | Confident | 79.9 | Confident | 41 Ų | 41 | 44.6 Ų | 44.6 | 22% | 0.215 | 25% | 0.245 | C | C | . | . | trans | -70.1 | 112 | 164.5 | -180 | 65.6 | 0 | 0 | 0 | 109.3 | A172 M181 V185 | A172-L174 PolarHBondContact O-N 3.16Å; L174-M181 HydrophobicContact CD1-CE 4.17Å; L174-M181 HydrophobicContact CD1-SD 3.94Å; L174-V185 HydrophobicContact CD1-CG1 4.5Å; L174-V185 VanDerWaalsContact CD1-O 3.31Å; L174-V185 WeakPolarHBondContact CD1-O 3.44Å | ||
| 175 | C | 79.4 | Confident | 80.1 | Confident | 3 Ų | 3 | 41.6 Ų | 41.6 | 2% | 0.02 | 23% | 0.234 | C | C | . | . | trans | -158.9 | 163 | 177.3 | 61.2 | 0 | 0 | 0 | 0 | 111.2 | R130 F161 T173 | R130-C175 PolarHBondContact NH1-SG 3.36Å; R130-C175 VanDerWaalsContact NH1-SG 3.4Å; F161-C175 HydrophobicContact CD1-CB 3.77Å; F161-C175 HydrophobicContact CE1-CB 4.18Å; F161-C175 HydrophobicContact CG-CB 4.47Å; T173-C175 HydrophobicContact CG2-CB 3.98Å; T173-C175 PolarHBondContact O-N 2.75Å | ||
| 176 | G | 83.2 | Confident | 80.6 | Confident | 11 Ų | 11 | 41.1 Ų | 41.1 | 11% | 0.113 | 23% | 0.232 | C | C | . | . | S | Bend | trans | 103.2 | -167.8 | -175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | R130 D131 M181 | R130-G176 WeakPolarHBondContact O-CA 3.49Å; D131-G176 WeakPolarHBondContact OD1-CA 3.42Å; G176-M181 VanDerWaalsContact C-CE 3.46Å; G176-M181 WeakPolarHBondContact O-CE 3.42Å |
| 177 | S | 87.8 | Confident | 81.4 | Confident | 12 Ų | 12 | 35.8 Ų | 35.8 | 8% | 0.084 | 21% | 0.207 | C | C | . | . | trans | -107.4 | 116.9 | -173.7 | -57.9 | 0 | 0 | 0 | 0 | 111.2 | D131 K133 M179 Y180 M181 | D131-S177 WeakPolarHBondContact OD1-CB 3.37Å; D131-S177 PolarHBondContact OD1-N 2.91Å; D131-S177 PolarHBondContact OD1-OG 3.25Å; K133-S177 WeakPolarHBondContact CD-OG 3.44Å; K133-S177 PolarHBondContact NZ-OG 3.4Å; S177-M179 PolarHBondContact O-N 3.11Å; S177-M179 VanDerWaalsContact O-N 3.08Å; S177-Y180 PolarHBondContact O-N 3.05Å; S177-M181 PolarHBondContact O-N 3.04Å | ||
| 178 | P | 89.6 | Confident | 82.6 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 12% | 0.117 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51 | -39.9 | -161.8 | -34.4 | 37.5 | 0 | 0 | 0 | 118.2 | Y180 M181 I186 P219 L222 | P178-Y180 PolarHBondContact O-N 2.9Å; P178-M181 HydrophobicContact CG-CE 4.08Å; P178-M181 PolarHBondContact O-N 2.86Å; P178-I186 HydrophobicContact CB-CD1 4.1Å; P178-P219 HydrophobicContact CB-CB 3.92Å; P178-P219 HydrophobicContact CB-CG 4.08Å; P178-P219 HydrophobicContact CG-CB 3.92Å; P178-P219 HydrophobicContact CG-CG 3.84Å; P178-L222 VanDerWaalsContact O-CD2 3.3Å; P178-L222 WeakPolarHBondContact O-CD2 3.24Å |
| 179 | M | 92.1 | Very high | 83.6 | Confident | 87 Ų | 87 | 30 Ų | 30 | 43% | 0.429 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.7 | -17.6 | 179.6 | -64.9 | -173.8 | -65.9 | 0 | 0 | 114.2 | S177 P212 | S177-M179 PolarHBondContact O-N 3.11Å; S177-M179 VanDerWaalsContact O-N 3.08Å; M179-P212 HydrophobicContact SD-CG 4.04Å |
| 180 | Y | 96.2 | Very high | 84.4 | Confident | 12 Ų | 12 | 30.6 Ų | 30.6 | 5% | 0.047 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -110.3 | -12 | -179.2 | -47.6 | -84.5 | 0 | 0 | 0 | 112 | L132 K133 P134 S177 P178 S199 T202 V203 Q206 | L132-Y180 WeakPolarHBondContact O-CB 3.4Å; K133-Y180 HydrophobicContact CB-CD1 4.18Å; K133-Y180 HydrophobicContact CB-CD2 3.64Å; K133-Y180 HydrophobicContact CB-CE1 4.37Å; K133-Y180 HydrophobicContact CB-CE2 3.83Å; K133-Y180 HydrophobicContact CB-CG 3.83Å; P134-Y180 VanDerWaalsContact CD-CZ 3.49Å; P134-Y180 HydrophobicContact CG-CE1 4.03Å; S177-Y180 PolarHBondContact O-N 3.05Å; P178-Y180 PolarHBondContact O-N 2.9Å; Y180-S199 PolarHBondContact O-OG 2.84Å; Y180-T202 WeakPolarHBondContact CD1-OG1 3.23Å; Y180-V203 HydrophobicContact CD1-CG2 4.3Å; Y180-Q206 VanDerWaalsContact CE1-OE1 3.3Å; Y180-Q206 PolarHBondContact OH-OE1 2.95Å |
| 181 | M | 94.9 | Very high | 85.4 | Confident | 10 Ų | 10 | 26.1 Ų | 26.1 | 5% | 0.049 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -60 | 139.3 | 175.2 | -71.5 | -177.2 | -172.2 | 0 | 0 | 111 | L174 G176 S177 P178 V185 I186 W198 | L174-M181 HydrophobicContact CD1-CE 4.17Å; L174-M181 HydrophobicContact CD1-SD 3.94Å; G176-M181 VanDerWaalsContact C-CE 3.46Å; G176-M181 WeakPolarHBondContact O-CE 3.42Å; S177-M181 PolarHBondContact O-N 3.04Å; P178-M181 HydrophobicContact CG-CE 4.08Å; P178-M181 PolarHBondContact O-N 2.86Å; M181-V185 HydrophobicContact CB-CB 4.45Å; M181-V185 HydrophobicContact CG-CG1 4.35Å; M181-V185 HydrophobicContact SD-CG1 4.27Å; M181-I186 HydrophobicContact CB-CB 4.18Å; M181-I186 HydrophobicContact SD-CB 3.81Å; M181-I186 HydrophobicContact SD-CD1 4.28Å; M181-I186 HydrophobicContact SD-CG1 3.97Å; M181-W198 PolarHBondContact O-NE1 3.1Å |
| 182 | A | 96.1 | Very high | 86.9 | Confident | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | trans | -67.9 | 150.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | E184 V185 I186 A195 W198 | A182-E184 VanDerWaalsContact C-N 3.29Å; A182-E184 VanDerWaalsContact CB-CD 3.47Å; A182-E184 HydrophobicContact CB-CG 4.47Å; A182-E184 WeakPolarHBondContact CB-OE1 3.37Å; A182-E184 PolarHBondContact O-N 2.99Å; A182-V185 HydrophobicContact CB-CG2 4.13Å; A182-V185 WeakPolarHBondContact O-CB 3.16Å; A182-V185 PolarHBondContact O-N 3.03Å; A182-I186 PolarHBondContact O-N 3.18Å; A182-A195 HydrophobicContact CB-CB 4.14Å; A182-W198 HydrophobicContact CB-CB 3.77Å; A182-W198 HydrophobicContact CB-CD2 4.34Å; A182-W198 HydrophobicContact CB-CG 3.69Å | ||
| 183 | P | 95.6 | Very high | 88.2 | Confident | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -55.8 | -42.5 | -175.3 | -30.3 | 39.6 | 0 | 0 | 0 | 113 | V185 I186 M187 W198 Y226 L232 R254 | P183-V185 VanDerWaalsContact C-N 3.29Å; P183-V185 PolarHBondContact O-N 2.8Å; P183-I186 PolarHBondContact O-N 3.27Å; P183-M187 HydrophobicContact CB-CE 3.9Å; P183-M187 VanDerWaalsContact O-CB 3.27Å; P183-M187 WeakPolarHBondContact O-CB 3.23Å; P183-M187 WeakPolarHBondContact O-CE 3.39Å; P183-M187 WeakPolarHBondContact O-CG 3.34Å; P183-M187 PolarHBondContact O-N 3.36Å; P183-W198 HydrophobicContact CG-CE3 4.35Å; P183-W198 HydrophobicContact CG-CH2 3.6Å; P183-W198 HydrophobicContact CG-CZ2 3.82Å; P183-W198 HydrophobicContact CG-CZ3 3.87Å; P183-Y226 HydrophobicContact CB-CD2 3.88Å; P183-Y226 HydrophobicContact CB-CE2 4.42Å; P183-Y226 HydrophobicContact CB-CG 4.06Å; P183-Y226 HydrophobicContact CG-CD1 4.38Å; P183-Y226 HydrophobicContact CG-CD2 3.99Å; P183-Y226 HydrophobicContact CG-CE1 4.49Å; P183-Y226 HydrophobicContact CG-CE2 4.11Å; P183-Y226 HydrophobicContact CG-CG 4.14Å; P183-L232 HydrophobicContact CG-CD1 4.07Å; P183-R254 HydrophobicContact CB-CG 3.99Å; P183-R254 HydrophobicContact CG-CG 4.1Å |
| 184 | E | 94.5 | Very high | 89.2 | Confident | 5 Ų | 5 | 27.7 Ų | 27.7 | 2% | 0.023 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -59.4 | -35.9 | 176 | 65 | -82 | -172.7 | 0 | 0 | 113 | A182 S188 Q189 R259 | A182-E184 VanDerWaalsContact C-N 3.29Å; A182-E184 VanDerWaalsContact CB-CD 3.47Å; A182-E184 HydrophobicContact CB-CG 4.47Å; A182-E184 WeakPolarHBondContact CB-OE1 3.37Å; A182-E184 PolarHBondContact O-N 2.99Å; E184-S188 PolarHBondContact O-N 3.07Å; E184-Q189 HydrophobicContact CB-CB 4.18Å; E184-Q189 WeakPolarHBondContact O-CA 3.44Å; E184-Q189 WeakPolarHBondContact O-CB 3.48Å; E184-Q189 PolarHBondContact O-N 3.4Å; E184-R259 IonicContact OE1-CZ 2.77Å; E184-R259 IonicContact OE1-NH1 2.8Å; E184-R259 PolarHBondContact OE1-NH1 3.21Å; E184-R259 IonicContact OE1-NH2 2.69Å; E184-R259 PolarHBondContact OE1-NH2 3.44Å; E184-R259 IonicContact OE2-CZ 3.04Å; E184-R259 IonicContact OE2-NH1 3.37Å; E184-R259 IonicContact OE2-NH2 2.63Å; E184-R259 PolarHBondContact OE2-NH2 2.87Å |
| 185 | V | 92.5 | Very high | 90.1 | Very high | 9 Ų | 9 | 26 Ų | 26 | 6% | 0.055 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.8 | -49.4 | 179.6 | -178.5 | 0 | 0 | 0 | 0 | 110.5 | L174 M181 A182 P183 S188 Y191 A195 | L174-V185 HydrophobicContact CD1-CG1 4.5Å; L174-V185 VanDerWaalsContact CD1-O 3.31Å; L174-V185 WeakPolarHBondContact CD1-O 3.44Å; M181-V185 HydrophobicContact CB-CB 4.45Å; M181-V185 HydrophobicContact CG-CG1 4.35Å; M181-V185 HydrophobicContact SD-CG1 4.27Å; A182-V185 HydrophobicContact CB-CG2 4.13Å; A182-V185 WeakPolarHBondContact O-CB 3.16Å; A182-V185 PolarHBondContact O-N 3.03Å; P183-V185 VanDerWaalsContact C-N 3.29Å; P183-V185 PolarHBondContact O-N 2.8Å; V185-S188 PolarHBondContact O-N 2.99Å; V185-S188 VanDerWaalsContact O-N 3.1Å; V185-Y191 HydrophobicContact CB-CD1 4.33Å; V185-Y191 HydrophobicContact CB-CE1 4.49Å; V185-Y191 HydrophobicContact CG1-CD1 4.49Å; V185-Y191 HydrophobicContact CG1-CE1 4.16Å; V185-Y191 HydrophobicContact CG2-CD1 3.74Å; V185-Y191 HydrophobicContact CG2-CD2 4.08Å; V185-Y191 HydrophobicContact CG2-CE1 4.09Å; V185-Y191 HydrophobicContact CG2-CE2 4.41Å; V185-Y191 HydrophobicContact CG2-CG 3.73Å; V185-A195 HydrophobicContact CG2-CB 3.86Å |
| 186 | I | 91.3 | Very high | 91 | Very high | 10 Ų | 10 | 25.9 Ų | 25.9 | 5% | 0.051 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -77.7 | -21.7 | -176.7 | -162.9 | 175.1 | 0 | 0 | 0 | 113.1 | P178 M181 A182 P183 S188 L222 R223 Y226 | P178-I186 HydrophobicContact CB-CD1 4.1Å; M181-I186 HydrophobicContact CB-CB 4.18Å; M181-I186 HydrophobicContact SD-CB 3.81Å; M181-I186 HydrophobicContact SD-CD1 4.28Å; M181-I186 HydrophobicContact SD-CG1 3.97Å; A182-I186 PolarHBondContact O-N 3.18Å; P183-I186 PolarHBondContact O-N 3.27Å; I186-S188 PolarHBondContact O-N 2.96Å; I186-L222 HydrophobicContact CD1-CB 4.44Å; I186-L222 HydrophobicContact CD1-CD2 4.26Å; I186-L222 HydrophobicContact CD1-CG 4.45Å; I186-R223 HydrophobicContact CD1-CB 4.46Å; I186-R223 HydrophobicContact CG1-CB 4.25Å; I186-R223 WeakPolarHBondContact O-CD 3.35Å; I186-Y226 HydrophobicContact CG2-CD2 3.49Å; I186-Y226 VanDerWaalsContact CG2-CD2 3.49Å; I186-Y226 HydrophobicContact CG2-CE2 3.8Å |
| 187 | M | 89.3 | Confident | 91.7 | Very high | 17 Ų | 17 | 25.4 Ų | 25.4 | 8% | 0.084 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79.3 | 5.7 | 166.2 | -65.2 | -175.9 | -60.5 | 0 | 0 | 113 | P183 Q189 R223 E227 R254 | P183-M187 HydrophobicContact CB-CE 3.9Å; P183-M187 VanDerWaalsContact O-CB 3.27Å; P183-M187 WeakPolarHBondContact O-CB 3.23Å; P183-M187 WeakPolarHBondContact O-CE 3.39Å; P183-M187 WeakPolarHBondContact O-CG 3.34Å; P183-M187 PolarHBondContact O-N 3.36Å; M187-Q189 VanDerWaalsContact C-N 3.31Å; M187-Q189 HydrophobicContact CB-CG 3.98Å; M187-Q189 PolarHBondContact O-N 3.38Å; M187-R223 HydrophobicContact CG-CG 4.42Å; M187-E227 HydrophobicContact CG-CG 3.77Å; M187-E227 HydrophobicContact SD-CB 4.44Å; M187-E227 HydrophobicContact SD-CG 3.64Å; M187-R254 PolarHBondContact SD-NH2 3.26Å; M187-R254 VanDerWaalsContact SD-NH2 3.38Å |
| 188 | S | 85.3 | Confident | 92.2 | Very high | 64 Ų | 64 | 24.8 Ų | 24.8 | 45% | 0.448 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 37.1 | -178.7 | -57.9 | 0 | 0 | 0 | 0 | 114.6 | E184 V185 I186 | E184-S188 PolarHBondContact O-N 3.07Å; V185-S188 PolarHBondContact O-N 2.99Å; V185-S188 VanDerWaalsContact O-N 3.1Å; I186-S188 PolarHBondContact O-N 2.96Å |
| 189 | Q | 85.6 | Confident | 92.6 | Very high | 92 Ų | 92 | 24.2 Ų | 24.2 | 43% | 0.43 | 13% | 0.131 | S | C | . | . | trans | -95.4 | 167.9 | 177.8 | -57 | 179 | -4 | 0 | 0 | 111.2 | E184 M187 Y191 | E184-Q189 HydrophobicContact CB-CB 4.18Å; E184-Q189 WeakPolarHBondContact O-CA 3.44Å; E184-Q189 WeakPolarHBondContact O-CB 3.48Å; E184-Q189 PolarHBondContact O-N 3.4Å; M187-Q189 VanDerWaalsContact C-N 3.31Å; M187-Q189 HydrophobicContact CB-CG 3.98Å; M187-Q189 PolarHBondContact O-N 3.38Å; Q189-Y191 WeakPolarHBondContact O-CD1 3.35Å; Q189-Y191 PolarHBondContact O-N 2.79Å | ||
| 190 | N | 82 | Confident | 92.9 | Very high | 94 Ų | 94 | 20.3 Ų | 20.3 | 50% | 0.503 | 11% | 0.112 | S | C | . | . | trans | -71.7 | 122.8 | 172.7 | -70.3 | 89.4 | 0 | 0 | 0 | 111.2 | M170 A171 Q256 | M170-N190 HydrophobicContact CB-CB 3.84Å; M170-N190 HydrophobicContact CG-CB 4.47Å; M170-N190 HydrophobicContact SD-CB 3.82Å; A171-N190 CarbonylContact O-C 3.58Å; A171-N190 WeakPolarHBondContact O-CA 3.44Å; N190-Q256 PolarHBondContact O-NE2 3Å | ||
| 191 | Y | 86.1 | Confident | 93 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.008 | 11% | 0.109 | C | C | . | . | B | Isolated β-bridge | trans | -123.1 | 154.2 | -177 | 63 | -94.5 | 0 | 0 | 0 | 113.2 | I128 R130 M170 A171 T173 V185 Q189 A195 | I128-Y191 HydrophobicContact CD1-CE2 4.17Å; R130-Y191 VanDerWaalsContact CD-OH 3.27Å; R130-Y191 WeakPolarHBondContact CD-OH 3.27Å; R130-Y191 HydrophobicContact CG-CE2 4.31Å; R130-Y191 PolarHBondContact NH1-OH 3.39Å; M170-Y191 CarbonylContact C-O 3.53Å; M170-Y191 WeakPolarHBondContact CA-O 3.49Å; M170-Y191 WeakPolarHBondContact CB-O 3.18Å; A171-Y191 HydrophobicContact CB-CD2 4.16Å; A171-Y191 HydrophobicContact CB-CE1 4.17Å; A171-Y191 HydrophobicContact CB-CE2 3.61Å; A171-Y191 PolarHBondContact N-O 2.87Å; A171-Y191 VanDerWaalsContact O-CD1 3.23Å; A171-Y191 WeakPolarHBondContact O-CD1 3.42Å; A171-Y191 PolarHBondContact O-N 2.85Å; T173-Y191 VanDerWaalsContact O-CE1 3.3Å; T173-Y191 WeakPolarHBondContact O-CE1 3.42Å; T173-Y191 PolarHBondContact O-OH 3.04Å; V185-Y191 HydrophobicContact CB-CD1 4.33Å; V185-Y191 HydrophobicContact CB-CE1 4.49Å; V185-Y191 HydrophobicContact CG1-CD1 4.49Å; V185-Y191 HydrophobicContact CG1-CE1 4.16Å; V185-Y191 HydrophobicContact CG2-CD1 3.74Å; V185-Y191 HydrophobicContact CG2-CD2 4.08Å; V185-Y191 HydrophobicContact CG2-CE1 4.09Å; V185-Y191 HydrophobicContact CG2-CE2 4.41Å; V185-Y191 HydrophobicContact CG2-CG 3.73Å; Q189-Y191 WeakPolarHBondContact O-CD1 3.35Å; Q189-Y191 PolarHBondContact O-N 2.79Å; Y191-A195 HydrophobicContact CD2-CB 4.05Å |
| 192 | D | 88.1 | Confident | 93.1 | Very high | 42 Ų | 42 | 19.2 Ų | 19.2 | 23% | 0.225 | 11% | 0.107 | C | C | . | . | trans | -110.1 | -162.8 | 175.3 | 67.4 | 28.7 | 0 | 0 | 0 | 111.9 | L165 K194 A195 | L165-D192 HydrophobicContact CD2-CB 4.37Å; D192-K194 PolarHBondContact O-N 3.38Å; D192-K194 WeakPolarHBondContact OD1-CA 3.41Å; D192-K194 WeakPolarHBondContact OD1-CB 3.27Å; D192-K194 WeakPolarHBondContact OD1-CG 3.13Å; D192-K194 PolarHBondContact OD1-N 3Å; D192-A195 PolarHBondContact O-N 3.01Å | ||
| 193 | A | 90.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 19.2 Ų | 19.2 | 17% | 0.165 | 11% | 0.107 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -18.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | I128 A195 D196 F262 | I128-A193 HydrophobicContact CG2-CB 3.5Å; I128-A193 VanDerWaalsContact CG2-CB 3.5Å; A193-A195 PolarHBondContact O-N 3.43Å; A193-A195 VanDerWaalsContact O-N 3.12Å; A193-D196 PolarHBondContact O-N 2.84Å; A193-D196 VanDerWaalsContact O-N 3.09Å; A193-F262 HydrophobicContact CB-CD2 4.46Å; A193-F262 HydrophobicContact CB-CE2 3.45Å; A193-F262 VanDerWaalsContact CB-CE2 3.45Å; A193-F262 HydrophobicContact CB-CZ 3.89Å; A193-F262 WeakPolarHBondContact O-CZ 3.35Å |
| 194 | K | 95.6 | Very high | 93.3 | Very high | 32 Ų | 32 | 19.4 Ų | 19.4 | 14% | 0.139 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -66.5 | -9.4 | 176.4 | -61.1 | -174.7 | 178.7 | -168.1 | 0 | 113.4 | D192 D196 L197 W198 Q256 K257 R259 | D192-K194 PolarHBondContact O-N 3.38Å; D192-K194 WeakPolarHBondContact OD1-CA 3.41Å; D192-K194 WeakPolarHBondContact OD1-CB 3.27Å; D192-K194 WeakPolarHBondContact OD1-CG 3.13Å; D192-K194 PolarHBondContact OD1-N 3Å; K194-D196 VanDerWaalsContact C-N 3.29Å; K194-L197 HydrophobicContact CG-CD1 4.35Å; K194-L197 PolarHBondContact O-N 2.87Å; K194-W198 PolarHBondContact O-N 3.3Å; K194-W198 VanDerWaalsContact O-N 3.12Å; K194-Q256 WeakPolarHBondContact CD-O 3.34Å; K194-Q256 PolarHBondContact NZ-O 3.42Å; K194-K257 PolarHBondContact NZ-O 3.43Å; K194-R259 HydrophobicContact CD-CB 4.42Å; K194-R259 PolarHBondContact NZ-O 2.96Å; K194-R259 PolarHBondContact O-NH1 3.32Å |
| 195 | A | 96.3 | Very high | 93.5 | Very high | 5 Ų | 5 | 19.3 Ų | 19.3 | 4% | 0.041 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -62.3 | -35.6 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | A182 V185 Y191 D192 A193 S199 | A182-A195 HydrophobicContact CB-CB 4.14Å; V185-A195 HydrophobicContact CG2-CB 3.86Å; Y191-A195 HydrophobicContact CD2-CB 4.05Å; D192-A195 PolarHBondContact O-N 3.01Å; A193-A195 PolarHBondContact O-N 3.43Å; A193-A195 VanDerWaalsContact O-N 3.12Å; A195-S199 PolarHBondContact O-N 3.4Å; A195-S199 VanDerWaalsContact O-N 3.13Å; A195-S199 PolarHBondContact O-OG 3.23Å |
| 196 | D | 97.6 | Very high | 93.7 | Very high | 1 Ų | 1 | 20.1 Ų | 20.1 | 1% | 0.005 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -70.8 | -34.1 | 174.7 | -74.4 | -30.4 | 0 | 0 | 0 | 111.3 | M119 I128 H129 R130 L132 A193 K194 S199 I200 | M119-D196 HydrophobicContact CE-CB 3.64Å; I128-D196 WeakPolarHBondContact CA-OD2 3.49Å; H129-D196 PolarHBondContact N-OD2 3.48Å; R130-D196 PolarHBondContact N-OD1 2.87Å; L132-D196 HydrophobicContact CD1-CB 3.75Å; A193-D196 PolarHBondContact O-N 2.84Å; A193-D196 VanDerWaalsContact O-N 3.09Å; K194-D196 VanDerWaalsContact C-N 3.29Å; D196-S199 WeakPolarHBondContact O-CB 3.17Å; D196-S199 PolarHBondContact O-N 2.78Å; D196-I200 WeakPolarHBondContact O-CG1 3.3Å; D196-I200 PolarHBondContact O-N 2.8Å |
| 197 | L | 98.3 | Very high | 94 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -65.8 | -42 | 176.2 | -67.6 | 179.5 | 0 | 0 | 0 | 112.4 | K194 S199 I200 G201 L251 M260 F262 F265 | K194-L197 HydrophobicContact CG-CD1 4.35Å; K194-L197 PolarHBondContact O-N 2.87Å; L197-S199 VanDerWaalsContact C-N 3.34Å; L197-I200 PolarHBondContact O-N 3Å; L197-G201 PolarHBondContact O-N 3.1Å; L197-L251 HydrophobicContact CB-CD2 3.91Å; L197-L251 HydrophobicContact CD2-CD2 4.36Å; L197-M260 VanDerWaalsContact CD1-O 3.27Å; L197-M260 WeakPolarHBondContact CD1-O 3.46Å; L197-F262 HydrophobicContact CD1-CD1 4.21Å; L197-F262 HydrophobicContact CD1-CD2 3.86Å; L197-F262 HydrophobicContact CD1-CE1 4.23Å; L197-F262 HydrophobicContact CD1-CE2 3.84Å; L197-F262 HydrophobicContact CD1-CG 4.04Å; L197-F262 HydrophobicContact CD1-CZ 4.05Å; L197-F262 HydrophobicContact CD2-CD1 3.88Å; L197-F262 HydrophobicContact CD2-CE1 3.63Å; L197-F262 HydrophobicContact CD2-CZ 4.06Å; L197-F262 HydrophobicContact CG-CD1 4.24Å; L197-F262 HydrophobicContact CG-CD2 4.43Å; L197-F262 HydrophobicContact CG-CE1 3.83Å; L197-F262 HydrophobicContact CG-CE2 4Å; L197-F262 HydrophobicContact CG-CZ 3.7Å; L197-F265 HydrophobicContact CD2-CB 4.21Å; L197-F265 HydrophobicContact CD2-CD1 3.59Å; L197-F265 HydrophobicContact CD2-CD2 4.48Å; L197-F265 HydrophobicContact CD2-CE1 4.04Å; L197-F265 HydrophobicContact CD2-CG 3.84Å |
| 198 | W | 98.3 | Very high | 94.4 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -58.3 | -47.5 | 169.1 | 170.9 | -80.4 | 0 | 0 | 0 | 111.4 | M181 A182 P183 K194 I200 G201 T202 F214 Y226 L232 L252 Q253 | M181-W198 PolarHBondContact O-NE1 3.1Å; A182-W198 HydrophobicContact CB-CB 3.77Å; A182-W198 HydrophobicContact CB-CD2 4.34Å; A182-W198 HydrophobicContact CB-CG 3.69Å; P183-W198 HydrophobicContact CG-CE3 4.35Å; P183-W198 HydrophobicContact CG-CH2 3.6Å; P183-W198 HydrophobicContact CG-CZ2 3.82Å; P183-W198 HydrophobicContact CG-CZ3 3.87Å; K194-W198 PolarHBondContact O-N 3.3Å; K194-W198 VanDerWaalsContact O-N 3.12Å; W198-I200 VanDerWaalsContact C-N 3.27Å; W198-I200 PolarHBondContact O-N 2.93Å; W198-G201 CarbonylContact O-C 3.46Å; W198-G201 WeakPolarHBondContact O-CA 3.47Å; W198-G201 PolarHBondContact O-N 3.07Å; W198-T202 PolarHBondContact O-N 3.26Å; W198-F214 AromaticContact CH2-CD2 3.95Å; W198-F214 HydrophobicContact CH2-CD2 3.95Å; W198-F214 AromaticContact CH2-CE2 3.46Å; W198-F214 HydrophobicContact CH2-CE2 3.46Å; W198-F214 VanDerWaalsContact CH2-CE2 3.46Å; W198-F214 HydrophobicContact CH2-CZ 4.39Å; W198-F214 AromaticContact CZ2-CD2 3.73Å; W198-F214 HydrophobicContact CZ2-CD2 3.73Å; W198-F214 AromaticContact CZ2-CE2 3.67Å; W198-F214 HydrophobicContact CZ2-CE2 3.67Å; W198-Y226 HydrophobicContact CZ2-CE1 4.24Å; W198-Y226 AromaticContact CZ2-CZ 3.92Å; W198-L232 HydrophobicContact CH2-CD1 3.79Å; W198-L232 HydrophobicContact CZ3-CD1 4.5Å; W198-L252 HydrophobicContact CD2-CD2 4Å; W198-L252 HydrophobicContact CE3-CD2 4.11Å; W198-L252 HydrophobicContact CH2-CD2 4.42Å; W198-L252 HydrophobicContact CZ2-CD2 4.31Å; W198-L252 VanDerWaalsContact CZ3-C 3.4Å; W198-L252 HydrophobicContact CZ3-CB 4.31Å; W198-L252 HydrophobicContact CZ3-CD2 4.33Å; W198-L252 VanDerWaalsContact CZ3-O 3.26Å; W198-L252 WeakPolarHBondContact CZ3-O 3.43Å; W198-Q253 WeakPolarHBondContact CZ3-O 3.44Å |
| 199 | S | 98.4 | Very high | 94.8 | Very high | 6 Ų | 6 | 18.8 Ų | 18.8 | 4% | 0.042 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.6 | -43.3 | 179.9 | -52.4 | 0 | 0 | 0 | 0 | 110.9 | Y180 A195 D196 L197 T202 V203 | Y180-S199 PolarHBondContact O-OG 2.84Å; A195-S199 PolarHBondContact O-N 3.4Å; A195-S199 VanDerWaalsContact O-N 3.13Å; A195-S199 PolarHBondContact O-OG 3.23Å; D196-S199 WeakPolarHBondContact O-CB 3.17Å; D196-S199 PolarHBondContact O-N 2.78Å; L197-S199 VanDerWaalsContact C-N 3.34Å; S199-T202 PolarHBondContact O-N 3.23Å; S199-T202 PolarHBondContact O-OG1 3.43Å; S199-V203 WeakPolarHBondContact O-CG2 3.46Å; S199-V203 PolarHBondContact O-N 3.11Å |
| 200 | I | 98.4 | Very high | 95.2 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.9 | -43.7 | 172.8 | -68.8 | 161.9 | 0 | 0 | 0 | 111.5 | L112 I115 M119 L132 D196 L197 W198 T202 V203 I204 F265 | L112-I200 HydrophobicContact CD1-CG2 3.59Å; I115-I200 HydrophobicContact CG2-CD1 3.9Å; I115-I200 HydrophobicContact CG2-CG1 4.05Å; I115-I200 HydrophobicContact CG2-CG2 4.4Å; M119-I200 HydrophobicContact CE-CD1 4.42Å; M119-I200 HydrophobicContact CG-CD1 3.49Å; M119-I200 VanDerWaalsContact CG-CD1 3.49Å; M119-I200 HydrophobicContact SD-CD1 3.97Å; L132-I200 HydrophobicContact CD1-CD1 4.03Å; L132-I200 HydrophobicContact CD1-CG1 3.91Å; D196-I200 WeakPolarHBondContact O-CG1 3.3Å; D196-I200 PolarHBondContact O-N 2.8Å; L197-I200 PolarHBondContact O-N 3Å; W198-I200 VanDerWaalsContact C-N 3.27Å; W198-I200 PolarHBondContact O-N 2.93Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 2.92Å; I200-V203 PolarHBondContact O-N 3.23Å; I200-I204 HydrophobicContact CG2-CG1 4.19Å; I200-I204 VanDerWaalsContact O-CG1 3.32Å; I200-I204 WeakPolarHBondContact O-CG1 3.34Å; I200-I204 PolarHBondContact O-N 2.95Å; I200-F265 HydrophobicContact CG2-CE2 4.44Å; I200-F265 HydrophobicContact CG2-CZ 4.27Å |
| 201 | G | 98.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -54.2 | -44.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | L197 W198 I204 Y205 | L197-G201 PolarHBondContact O-N 3.1Å; W198-G201 CarbonylContact O-C 3.46Å; W198-G201 WeakPolarHBondContact O-CA 3.47Å; W198-G201 PolarHBondContact O-N 3.07Å; G201-I204 PolarHBondContact O-N 3.49Å; G201-Y205 WeakPolarHBondContact O-CB 3.3Å; G201-Y205 PolarHBondContact O-N 3.49Å |
| 202 | T | 98.2 | Very high | 96.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -67.1 | -38.7 | 177.8 | 66 | 0 | 0 | 0 | 0 | 112.6 | Y180 W198 S199 I200 Q206 P213 L252 | Y180-T202 WeakPolarHBondContact CD1-OG1 3.23Å; W198-T202 PolarHBondContact O-N 3.26Å; S199-T202 PolarHBondContact O-N 3.23Å; S199-T202 PolarHBondContact O-OG1 3.43Å; I200-T202 VanDerWaalsContact C-N 3.31Å; I200-T202 PolarHBondContact O-N 2.92Å; T202-Q206 VanDerWaalsContact O-CB 3.32Å; T202-Q206 WeakPolarHBondContact O-CB 3.39Å; T202-Q206 PolarHBondContact O-N 2.75Å; T202-P213 HydrophobicContact CG2-CG 3.82Å; T202-L252 HydrophobicContact CG2-CD2 3.69Å |
| 203 | V | 98.2 | Very high | 96.4 | Very high | 1 Ų | 1 | 16.1 Ų | 16.1 | 1% | 0.006 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | 175 | 169.7 | 0 | 0 | 0 | 0 | 111.6 | L93 P134 I137 Y180 S199 I200 Q206 C207 | L93-V203 HydrophobicContact CD2-CG1 3.86Å; P134-V203 HydrophobicContact CG-CG2 4.24Å; I137-V203 HydrophobicContact CD1-CG1 3.85Å; I137-V203 HydrophobicContact CD1-CG2 4.14Å; Y180-V203 HydrophobicContact CD1-CG2 4.3Å; S199-V203 WeakPolarHBondContact O-CG2 3.46Å; S199-V203 PolarHBondContact O-N 3.11Å; I200-V203 PolarHBondContact O-N 3.23Å; V203-Q206 PolarHBondContact O-N 3.12Å; V203-C207 PolarHBondContact O-N 2.8Å; V203-C207 PolarHBondContact O-SG 3.33Å |
| 204 | I | 97.8 | Very high | 96.6 | Very high | 3 Ų | 3 | 15.8 Ų | 15.8 | 2% | 0.015 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -71.6 | -39.3 | -177.4 | -63.4 | -65.9 | 0 | 0 | 0 | 111 | L108 L112 I200 G201 C207 L208 L244 L248 | L108-I204 HydrophobicContact CD2-CD1 3.76Å; L108-I204 HydrophobicContact CD2-CG2 4.13Å; L112-I204 HydrophobicContact CB-CD1 3.99Å; L112-I204 HydrophobicContact CD1-CD1 3.9Å; L112-I204 HydrophobicContact CD1-CG1 3.94Å; L112-I204 HydrophobicContact CD2-CD1 4Å; L112-I204 HydrophobicContact CD2-CG1 3.95Å; L112-I204 HydrophobicContact CD2-CG2 4.42Å; L112-I204 HydrophobicContact CG-CD1 4.17Å; L112-I204 HydrophobicContact CG-CG1 4.43Å; I200-I204 HydrophobicContact CG2-CG1 4.19Å; I200-I204 VanDerWaalsContact O-CG1 3.32Å; I200-I204 WeakPolarHBondContact O-CG1 3.34Å; I200-I204 PolarHBondContact O-N 2.95Å; G201-I204 PolarHBondContact O-N 3.49Å; I204-C207 PolarHBondContact O-N 2.82Å; I204-L208 PolarHBondContact O-N 3.12Å; I204-L244 HydrophobicContact CG2-CD1 3.95Å; I204-L248 HydrophobicContact CB-CD2 4.2Å; I204-L248 HydrophobicContact CG2-CD2 4Å |
| 205 | Y | 98.1 | Very high | 96.3 | Very high | 4 Ų | 4 | 19.4 Ų | 19.4 | 2% | 0.016 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -58.8 | -46.6 | 168.9 | -179.6 | -80.6 | 0 | 0 | 0 | 111.1 | G201 C207 L208 V209 K211 P213 P234 I235 I236 L248 L252 | G201-Y205 WeakPolarHBondContact O-CB 3.3Å; G201-Y205 PolarHBondContact O-N 3.49Å; Y205-C207 VanDerWaalsContact C-N 3.31Å; Y205-C207 PolarHBondContact O-N 3.29Å; Y205-L208 PolarHBondContact O-N 3.09Å; Y205-L208 VanDerWaalsContact O-N 3.11Å; Y205-V209 HydrophobicContact CD1-CB 4.22Å; Y205-V209 HydrophobicContact CD1-CG2 4.15Å; Y205-V209 HydrophobicContact CD2-CG2 4.19Å; Y205-V209 HydrophobicContact CE1-CB 3.81Å; Y205-V209 HydrophobicContact CE1-CG1 4.12Å; Y205-V209 HydrophobicContact CE1-CG2 3.87Å; Y205-V209 HydrophobicContact CE2-CG2 3.92Å; Y205-V209 HydrophobicContact CG-CG2 4.32Å; Y205-V209 WeakPolarHBondContact O-CG2 3.18Å; Y205-V209 PolarHBondContact O-N 2.8Å; Y205-K211 VanDerWaalsContact CD1-O 3.28Å; Y205-K211 WeakPolarHBondContact CD1-O 3.44Å; Y205-K211 VanDerWaalsContact CE1-O 3.26Å; Y205-K211 WeakPolarHBondContact CE1-O 3.42Å; Y205-P213 HydrophobicContact CD1-CB 3.61Å; Y205-P213 HydrophobicContact CD1-CG 4.11Å; Y205-P213 HydrophobicContact CD2-CB 4.08Å; Y205-P213 HydrophobicContact CE1-CB 3.76Å; Y205-P213 HydrophobicContact CE2-CB 4.19Å; Y205-P213 HydrophobicContact CG-CB 3.77Å; Y205-P213 HydrophobicContact CG-CG 4.24Å; Y205-P234 HydrophobicContact CD2-CB 3.94Å; Y205-P234 HydrophobicContact CE2-CB 3.7Å; Y205-I235 PolarHBondContact OH-N 3.37Å; Y205-I235 PolarHBondContact OH-O 2.93Å; Y205-I235 VanDerWaalsContact OH-O 3.1Å; Y205-I236 HydrophobicContact CE2-CG1 4.39Å; Y205-L248 HydrophobicContact CD2-CD1 4.48Å; Y205-L252 HydrophobicContact CD2-CD1 4.49Å |
| 206 | Q | 97.3 | Very high | 96 | Very high | 25 Ų | 25 | 21.2 Ų | 21.2 | 12% | 0.117 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63 | -37.9 | 179 | -176.4 | 178.2 | 4.5 | 0 | 0 | 111.9 | L97 Y180 T202 V203 L208 G210 K211 | L97-Q206 HydrophobicContact CD2-CG 3.7Å; L97-Q206 WeakPolarHBondContact CD2-O 3.46Å; Y180-Q206 VanDerWaalsContact CE1-OE1 3.3Å; Y180-Q206 PolarHBondContact OH-OE1 2.95Å; T202-Q206 VanDerWaalsContact O-CB 3.32Å; T202-Q206 WeakPolarHBondContact O-CB 3.39Å; T202-Q206 PolarHBondContact O-N 2.75Å; V203-Q206 PolarHBondContact O-N 3.12Å; Q206-L208 VanDerWaalsContact C-N 3.31Å; Q206-L208 PolarHBondContact O-N 2.8Å; Q206-G210 CarbonylContact O-C 3.49Å; Q206-G210 WeakPolarHBondContact O-CA 3.29Å; Q206-G210 PolarHBondContact O-N 3.13Å; Q206-K211 WeakPolarHBondContact CA-O 3.49Å |
| 207 | C | 96.9 | Very high | 95.4 | Very high | 1 Ų | 1 | 29.1 Ų | 29.1 | 1% | 0.007 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -65.8 | -32.5 | 174.7 | -69.4 | 0 | 0 | 0 | 0 | 113 | T102 L103 L108 V203 I204 Y205 | T102-C207 CarbonylContact C-O 3.57Å; T102-C207 WeakPolarHBondContact CA-O 3.42Å; L103-C207 HydrophobicContact CB-CB 4.45Å; L103-C207 HydrophobicContact CD1-CB 4.01Å; L103-C207 HydrophobicContact CG-CB 4.25Å; L103-C207 PolarHBondContact N-O 2.76Å; L108-C207 HydrophobicContact CD1-CB 4.45Å; L108-C207 HydrophobicContact CD2-CB 3.34Å; L108-C207 HydrophobicContact CG-CB 4.26Å; V203-C207 PolarHBondContact O-N 2.8Å; V203-C207 PolarHBondContact O-SG 3.33Å; I204-C207 PolarHBondContact O-N 2.82Å; Y205-C207 VanDerWaalsContact C-N 3.31Å; Y205-C207 PolarHBondContact O-N 3.29Å |
| 208 | L | 96.9 | Very high | 94.9 | Very high | 25 Ų | 25 | 30.8 Ų | 30.8 | 13% | 0.131 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -77 | -42.6 | 177.4 | 179.5 | 67.4 | 0 | 0 | 0 | 112.6 | T102 L108 I204 Y205 Q206 T240 L244 L248 | T102-L208 WeakPolarHBondContact CB-O 3.47Å; T102-L208 VanDerWaalsContact CG2-O 3.31Å; T102-L208 WeakPolarHBondContact CG2-O 3.41Å; L108-L208 HydrophobicContact CD1-CB 4.07Å; L108-L208 HydrophobicContact CD1-CD1 4.32Å; I204-L208 PolarHBondContact O-N 3.12Å; Y205-L208 PolarHBondContact O-N 3.09Å; Y205-L208 VanDerWaalsContact O-N 3.11Å; Q206-L208 VanDerWaalsContact C-N 3.31Å; Q206-L208 PolarHBondContact O-N 2.8Å; L208-T240 HydrophobicContact CD2-CG2 3.77Å; L208-L244 HydrophobicContact CD1-CD2 4.13Å; L208-L244 HydrophobicContact CD2-CD2 4.1Å; L208-L248 HydrophobicContact CD2-CD1 3.81Å |
| 209 | V | 95.3 | Very high | 94.2 | Very high | 38 Ų | 38 | 33 Ų | 33 | 23% | 0.23 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -107.8 | -6 | -168.4 | -168.4 | 0 | 0 | 0 | 0 | 113 | Y205 K211 P237 | Y205-V209 HydrophobicContact CD1-CB 4.22Å; Y205-V209 HydrophobicContact CD1-CG2 4.15Å; Y205-V209 HydrophobicContact CD2-CG2 4.19Å; Y205-V209 HydrophobicContact CE1-CB 3.81Å; Y205-V209 HydrophobicContact CE1-CG1 4.12Å; Y205-V209 HydrophobicContact CE1-CG2 3.87Å; Y205-V209 HydrophobicContact CE2-CG2 3.92Å; Y205-V209 HydrophobicContact CG-CG2 4.32Å; Y205-V209 WeakPolarHBondContact O-CG2 3.18Å; Y205-V209 PolarHBondContact O-N 2.8Å; V209-K211 HydrophobicContact CG1-CG 4.29Å; V209-K211 PolarHBondContact O-N 3.48Å; V209-P237 HydrophobicContact CG2-CG 3.97Å |
| 210 | G | 93.1 | Very high | 93.6 | Very high | 34 Ų | 34 | 36 Ų | 36 | 35% | 0.351 | 20% | 0.202 | S | C | . | . | S | Bend | trans | 79.2 | -9.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.8 | G101 Q206 | G101-G210 WeakPolarHBondContact O-CA 3.2Å; Q206-G210 CarbonylContact O-C 3.49Å; Q206-G210 WeakPolarHBondContact O-CA 3.29Å; Q206-G210 PolarHBondContact O-N 3.13Å |
| 211 | K | 92.9 | Very high | 93.2 | Very high | 113 Ų | 113 | 38.8 Ų | 38.8 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | S | Bend | trans | -142.8 | 148.6 | -175.1 | 71.2 | -173.5 | -178.3 | 179.1 | 0 | 111.1 | Y205 Q206 V209 | Y205-K211 VanDerWaalsContact CD1-O 3.28Å; Y205-K211 WeakPolarHBondContact CD1-O 3.44Å; Y205-K211 VanDerWaalsContact CE1-O 3.26Å; Y205-K211 WeakPolarHBondContact CE1-O 3.42Å; Q206-K211 WeakPolarHBondContact CA-O 3.49Å; V209-K211 HydrophobicContact CG1-CG 4.29Å; V209-K211 PolarHBondContact O-N 3.48Å |
| 212 | P | 93.4 | Very high | 92.9 | Very high | 11 Ų | 11 | 39 Ų | 39 | 7% | 0.071 | 22% | 0.218 | C | C | . | . | trans | -63.8 | 154.7 | 179.8 | 24 | -31.6 | 0 | 0 | 0 | 112.4 | M179 F214 Q215 | M179-P212 HydrophobicContact SD-CG 4.04Å; P212-F214 PolarHBondContact O-N 2.68Å; P212-Q215 HydrophobicContact CG-CG 3.82Å; P212-Q215 PolarHBondContact O-NE2 2.92Å | ||
| 213 | P | 95 | Very high | 92.6 | Very high | 16 Ų | 16 | 42.5 Ų | 42.5 | 10% | 0.104 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -68.4 | -34.1 | -169.6 | 24.7 | -32.7 | 0 | 0 | 0 | 114.3 | T202 Y205 P234 L252 | T202-P213 HydrophobicContact CG2-CG 3.82Å; Y205-P213 HydrophobicContact CD1-CB 3.61Å; Y205-P213 HydrophobicContact CD1-CG 4.11Å; Y205-P213 HydrophobicContact CD2-CB 4.08Å; Y205-P213 HydrophobicContact CE1-CB 3.76Å; Y205-P213 HydrophobicContact CE2-CB 4.19Å; Y205-P213 HydrophobicContact CG-CB 3.77Å; Y205-P213 HydrophobicContact CG-CG 4.24Å; P213-P234 HydrophobicContact CB-CB 4.1Å; P213-L252 HydrophobicContact CB-CD1 4.19Å; P213-L252 HydrophobicContact CG-CD1 4.11Å; P213-L252 HydrophobicContact CG-CD2 4.35Å |
| 214 | F | 94.7 | Very high | 92.3 | Very high | 12 Ų | 12 | 46.6 Ų | 46.6 | 5% | 0.053 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -125.5 | 129.9 | 179.5 | -49 | -66.5 | 0 | 0 | 0 | 108.2 | W198 P212 L222 F225 Y226 L232 P234 | W198-F214 AromaticContact CH2-CD2 3.95Å; W198-F214 HydrophobicContact CH2-CD2 3.95Å; W198-F214 AromaticContact CH2-CE2 3.46Å; W198-F214 HydrophobicContact CH2-CE2 3.46Å; W198-F214 VanDerWaalsContact CH2-CE2 3.46Å; W198-F214 HydrophobicContact CH2-CZ 4.39Å; W198-F214 AromaticContact CZ2-CD2 3.73Å; W198-F214 HydrophobicContact CZ2-CD2 3.73Å; W198-F214 AromaticContact CZ2-CE2 3.67Å; W198-F214 HydrophobicContact CZ2-CE2 3.67Å; P212-F214 PolarHBondContact O-N 2.68Å; F214-L222 HydrophobicContact CB-CD1 3.97Å; F214-F225 HydrophobicContact CB-CE1 4.04Å; F214-F225 AromaticContact CD1-CE1 3.71Å; F214-F225 HydrophobicContact CD1-CE1 3.71Å; F214-F225 HydrophobicContact CD1-CZ 4.01Å; F214-F225 HydrophobicContact CG-CE1 4.07Å; F214-Y226 HydrophobicContact CB-CE1 3.81Å; F214-Y226 AromaticContact CD2-CE1 3.82Å; F214-Y226 HydrophobicContact CD2-CE1 3.82Å; F214-Y226 AromaticContact CG-CE1 3.83Å; F214-Y226 HydrophobicContact CG-CE1 3.83Å; F214-L232 HydrophobicContact CE1-CB 4.19Å; F214-L232 HydrophobicContact CE1-CD2 4.43Å; F214-L232 HydrophobicContact CZ-CB 3.88Å; F214-P234 HydrophobicContact CZ-CB 4.3Å |
| 215 | Q | 89.1 | Confident | 92.1 | Very high | 109 Ų | 109 | 50 Ų | 50 | 51% | 0.509 | 27% | 0.266 | S | S | . | . | trans | -137 | 140.8 | -174.1 | -74.7 | 170 | 54.6 | 0 | 0 | 108.8 | P212 | P212-Q215 HydrophobicContact CG-CG 3.82Å; P212-Q215 PolarHBondContact O-NE2 2.92Å | ||
| 216 | A | 89.8 | Confident | 91.9 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 35% | 0.347 | 27% | 0.265 | S | S | . | . | trans | -152.1 | 162.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109.2 | S218 D221 L222 | A216-S218 VanDerWaalsContact C-N 3.29Å; A216-S218 PolarHBondContact O-N 3.25Å; A216-D221 HydrophobicContact CB-CB 3.59Å; A216-L222 HydrophobicContact CB-CB 3.97Å; A216-L222 HydrophobicContact CB-CD1 4.47Å | ||
| 217 | N | 85.8 | Confident | 91.7 | Very high | 168 Ų | 168 | 52 Ų | 52 | 90% | 0.898 | 28% | 0.275 | S | S | * | . | S | Bend | trans | -70.3 | -26 | -172 | -60.9 | -20.4 | 0 | 0 | 0 | 112.9 | ||
| 218 | S | 88.1 | Confident | 91.5 | Very high | 35 Ų | 35 | 60.3 Ų | 60.3 | 25% | 0.245 | 31% | 0.311 | C | S | . | . | S | Bend | trans | -137.2 | 163.1 | 173.2 | 73.7 | 0 | 0 | 0 | 0 | 112.1 | A216 Q220 D221 L222 | A216-S218 VanDerWaalsContact C-N 3.29Å; A216-S218 PolarHBondContact O-N 3.25Å; S218-Q220 PolarHBondContact O-N 3.5Å; S218-Q220 PolarHBondContact OG-N 3.45Å; S218-D221 VanDerWaalsContact CB-OD2 3.32Å; S218-D221 WeakPolarHBondContact CB-OD2 3.45Å; S218-D221 PolarHBondContact N-OD2 3.01Å; S218-D221 PolarHBondContact O-N 2.95Å; S218-D221 PolarHBondContact OG-N 3.45Å; S218-D221 PolarHBondContact OG-OD2 3.4Å; S218-L222 PolarHBondContact O-N 3.41Å |
| 219 | P | 83.2 | Confident | 91.3 | Very high | 46 Ų | 46 | 62 Ų | 62 | 30% | 0.299 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -57.9 | -32 | 170.1 | -25.4 | 36.3 | 0 | 0 | 0 | 113.1 | P178 L222 R223 F984 | P178-P219 HydrophobicContact CB-CB 3.92Å; P178-P219 HydrophobicContact CB-CG 4.08Å; P178-P219 HydrophobicContact CG-CB 3.92Å; P178-P219 HydrophobicContact CG-CG 3.84Å; P219-L222 PolarHBondContact O-N 2.85Å; P219-R223 WeakPolarHBondContact O-CB 3.47Å; P219-R223 PolarHBondContact O-N 2.64Å; P219-F984 HydrophobicContact CB-CE1 4.46Å; P219-F984 HydrophobicContact CB-CZ 4.33Å; P219-F984 HydrophobicContact CG-CE1 4.07Å; P219-F984 HydrophobicContact CG-CZ 4.39Å |
| 220 | Q | 84.6 | Confident | 90.9 | Very high | 70 Ų | 70 | 68.8 Ų | 68.8 | 33% | 0.327 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -72.7 | -37.8 | 178.1 | -171.8 | 63.7 | 6.6 | 0 | 0 | 111.4 | S218 L222 R223 M224 | S218-Q220 PolarHBondContact O-N 3.5Å; S218-Q220 PolarHBondContact OG-N 3.45Å; Q220-L222 VanDerWaalsContact C-N 3.33Å; Q220-R223 WeakPolarHBondContact O-CB 3.42Å; Q220-R223 PolarHBondContact O-N 3.28Å; Q220-M224 HydrophobicContact CG-CE 4.33Å; Q220-M224 WeakPolarHBondContact O-CG 3.45Å; Q220-M224 PolarHBondContact O-N 3.28Å |
| 221 | D | 90.9 | Very high | 90.7 | Very high | 62 Ų | 62 | 71 Ų | 71 | 33% | 0.332 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 171.2 | -59.7 | -52.5 | 0 | 0 | 0 | 111.5 | A216 S218 M224 F225 | A216-D221 HydrophobicContact CB-CB 3.59Å; S218-D221 VanDerWaalsContact CB-OD2 3.32Å; S218-D221 WeakPolarHBondContact CB-OD2 3.45Å; S218-D221 PolarHBondContact N-OD2 3.01Å; S218-D221 PolarHBondContact O-N 2.95Å; S218-D221 PolarHBondContact OG-N 3.45Å; S218-D221 PolarHBondContact OG-OD2 3.4Å; D221-M224 PolarHBondContact O-N 2.85Å; D221-M224 WeakPolarHBondContact OD1-CE 3.36Å; D221-F225 WeakPolarHBondContact O-CB 3.4Å; D221-F225 PolarHBondContact O-N 3.14Å |
| 222 | L | 92.6 | Very high | 90.7 | Very high | 4 Ų | 4 | 66 Ų | 66 | 2% | 0.021 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -65.7 | -40.1 | 176.2 | -173.3 | 62.2 | 0 | 0 | 0 | 111.3 | P178 I186 F214 A216 S218 P219 Q220 F225 Y226 | P178-L222 VanDerWaalsContact O-CD2 3.3Å; P178-L222 WeakPolarHBondContact O-CD2 3.24Å; I186-L222 HydrophobicContact CD1-CB 4.44Å; I186-L222 HydrophobicContact CD1-CD2 4.26Å; I186-L222 HydrophobicContact CD1-CG 4.45Å; F214-L222 HydrophobicContact CB-CD1 3.97Å; A216-L222 HydrophobicContact CB-CB 3.97Å; A216-L222 HydrophobicContact CB-CD1 4.47Å; S218-L222 PolarHBondContact O-N 3.41Å; P219-L222 PolarHBondContact O-N 2.85Å; Q220-L222 VanDerWaalsContact C-N 3.33Å; L222-F225 HydrophobicContact CD1-CD1 4.33Å; L222-F225 PolarHBondContact O-N 3.02Å; L222-Y226 HydrophobicContact CD1-CE1 3.98Å; L222-Y226 HydrophobicContact CD1-CE2 4.22Å; L222-Y226 HydrophobicContact CD2-CE2 4.32Å; L222-Y226 HydrophobicContact CG-CD2 4.41Å; L222-Y226 HydrophobicContact CG-CE2 3.92Å; L222-Y226 PolarHBondContact O-N 3.3Å |
| 223 | R | 91.3 | Very high | 90.5 | Very high | 73 Ų | 73 | 70.8 Ų | 70.8 | 28% | 0.275 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -60.4 | -52.7 | 172.3 | -177.6 | -172.3 | 159.2 | 169.6 | -1.6 | 111.2 | I186 M187 P219 Q220 F225 Y226 E227 | I186-R223 HydrophobicContact CD1-CB 4.46Å; I186-R223 HydrophobicContact CG1-CB 4.25Å; I186-R223 WeakPolarHBondContact O-CD 3.35Å; M187-R223 HydrophobicContact CG-CG 4.42Å; P219-R223 WeakPolarHBondContact O-CB 3.47Å; P219-R223 PolarHBondContact O-N 2.64Å; Q220-R223 WeakPolarHBondContact O-CB 3.42Å; Q220-R223 PolarHBondContact O-N 3.28Å; R223-F225 VanDerWaalsContact C-N 3.3Å; R223-F225 PolarHBondContact O-N 3.42Å; R223-Y226 PolarHBondContact O-N 3.08Å; R223-Y226 VanDerWaalsContact O-N 3.16Å; R223-E227 HydrophobicContact CG-CG 4.44Å; R223-E227 IonicContact CZ-OE1 2.67Å; R223-E227 VanDerWaalsContact CZ-OE1 3.24Å; R223-E227 IonicContact NE-OE1 2.7Å; R223-E227 PolarHBondContact NE-OE1 3.3Å; R223-E227 IonicContact NE-OE2 2.74Å; R223-E227 IonicContact NH2-OE1 3.17Å; R223-E227 PolarHBondContact NH2-OE1 3.35Å; R223-E227 WeakPolarHBondContact O-CG 3.42Å; R223-E227 PolarHBondContact O-N 3.38Å |
| 224 | M | 90.9 | Very high | 90.3 | Very high | 87 Ų | 87 | 70.6 Ų | 70.6 | 43% | 0.429 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62 | -37.6 | 178.9 | -70.2 | -174.9 | -63.6 | 0 | 0 | 112 | Q220 D221 E227 K228 | Q220-M224 HydrophobicContact CG-CE 4.33Å; Q220-M224 WeakPolarHBondContact O-CG 3.45Å; Q220-M224 PolarHBondContact O-N 3.28Å; D221-M224 PolarHBondContact O-N 2.85Å; D221-M224 WeakPolarHBondContact OD1-CE 3.36Å; M224-E227 PolarHBondContact O-N 2.88Å; M224-K228 VanDerWaalsContact O-CB 3.24Å; M224-K228 WeakPolarHBondContact O-CB 3.31Å; M224-K228 PolarHBondContact O-N 2.98Å |
| 225 | F | 94.1 | Very high | 90.3 | Very high | 74 Ų | 74 | 76.7 Ų | 76.7 | 33% | 0.325 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -60.7 | -47.5 | 172.6 | 169.6 | -94.6 | 0 | 0 | 0 | 111.4 | F214 D221 L222 R223 N229 L232 | F214-F225 HydrophobicContact CB-CE1 4.04Å; F214-F225 AromaticContact CD1-CE1 3.71Å; F214-F225 HydrophobicContact CD1-CE1 3.71Å; F214-F225 HydrophobicContact CD1-CZ 4.01Å; F214-F225 HydrophobicContact CG-CE1 4.07Å; D221-F225 WeakPolarHBondContact O-CB 3.4Å; D221-F225 PolarHBondContact O-N 3.14Å; L222-F225 HydrophobicContact CD1-CD1 4.33Å; L222-F225 PolarHBondContact O-N 3.02Å; R223-F225 VanDerWaalsContact C-N 3.3Å; R223-F225 PolarHBondContact O-N 3.42Å; F225-N229 VanDerWaalsContact CD2-ND2 3.29Å; F225-N229 WeakPolarHBondContact CD2-ND2 3.24Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.23Å; F225-N229 WeakPolarHBondContact O-CB 3.5Å; F225-N229 PolarHBondContact O-N 3Å; F225-N229 VanDerWaalsContact O-N 3.14Å; F225-N229 PolarHBondContact O-ND2 2.94Å; F225-L232 HydrophobicContact CD1-CD2 4.49Å; F225-L232 HydrophobicContact CE1-CD2 3.67Å; F225-L232 HydrophobicContact CZ-CD2 3.98Å |
| 226 | Y | 94.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 73.4 Ų | 73.4 | 0% | 0.004 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -64 | -47.6 | 174.5 | -70.2 | -22.8 | 0 | 0 | 0 | 111.6 | P183 I186 W198 F214 L222 R223 K228 N229 L232 R254 | P183-Y226 HydrophobicContact CB-CD2 3.88Å; P183-Y226 HydrophobicContact CB-CE2 4.42Å; P183-Y226 HydrophobicContact CB-CG 4.06Å; P183-Y226 HydrophobicContact CG-CD1 4.38Å; P183-Y226 HydrophobicContact CG-CD2 3.99Å; P183-Y226 HydrophobicContact CG-CE1 4.49Å; P183-Y226 HydrophobicContact CG-CE2 4.11Å; P183-Y226 HydrophobicContact CG-CG 4.14Å; I186-Y226 HydrophobicContact CG2-CD2 3.49Å; I186-Y226 VanDerWaalsContact CG2-CD2 3.49Å; I186-Y226 HydrophobicContact CG2-CE2 3.8Å; W198-Y226 HydrophobicContact CZ2-CE1 4.24Å; W198-Y226 AromaticContact CZ2-CZ 3.92Å; F214-Y226 HydrophobicContact CB-CE1 3.81Å; F214-Y226 AromaticContact CD2-CE1 3.82Å; F214-Y226 HydrophobicContact CD2-CE1 3.82Å; F214-Y226 AromaticContact CG-CE1 3.83Å; F214-Y226 HydrophobicContact CG-CE1 3.83Å; L222-Y226 HydrophobicContact CD1-CE1 3.98Å; L222-Y226 HydrophobicContact CD1-CE2 4.22Å; L222-Y226 HydrophobicContact CD2-CE2 4.32Å; L222-Y226 HydrophobicContact CG-CD2 4.41Å; L222-Y226 HydrophobicContact CG-CE2 3.92Å; L222-Y226 PolarHBondContact O-N 3.3Å; R223-Y226 PolarHBondContact O-N 3.08Å; R223-Y226 VanDerWaalsContact O-N 3.16Å; Y226-K228 VanDerWaalsContact C-N 3.34Å; Y226-K228 PolarHBondContact O-N 3.49Å; Y226-N229 PolarHBondContact O-N 3.37Å; Y226-L232 HydrophobicContact CD1-CD1 3.49Å; Y226-L232 VanDerWaalsContact CD1-CD1 3.49Å; Y226-L232 HydrophobicContact CD1-CD2 4.23Å; Y226-L232 HydrophobicContact CE1-CD1 3.8Å; Y226-L232 HydrophobicContact CG-CD1 4.37Å; Y226-R254 PolarHBondContact O-NE 2.87Å; Y226-R254 PolarHBondContact O-NH1 3.41Å; Y226-R254 PolarHBondContact O-NH2 3.17Å |
| 227 | E | 91.7 | Very high | 90.7 | Very high | 71 Ų | 71 | 73.4 Ų | 73.4 | 33% | 0.332 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -52.3 | -51.3 | 179 | -76.2 | 173.2 | 165.4 | 0 | 0 | 111.4 | M187 R223 M224 R254 | M187-E227 HydrophobicContact CG-CG 3.77Å; M187-E227 HydrophobicContact SD-CB 4.44Å; M187-E227 HydrophobicContact SD-CG 3.64Å; R223-E227 HydrophobicContact CG-CG 4.44Å; R223-E227 IonicContact CZ-OE1 2.67Å; R223-E227 VanDerWaalsContact CZ-OE1 3.24Å; R223-E227 IonicContact NE-OE1 2.7Å; R223-E227 PolarHBondContact NE-OE1 3.3Å; R223-E227 IonicContact NE-OE2 2.74Å; R223-E227 IonicContact NH2-OE1 3.17Å; R223-E227 PolarHBondContact NH2-OE1 3.35Å; R223-E227 WeakPolarHBondContact O-CG 3.42Å; R223-E227 PolarHBondContact O-N 3.38Å; M224-E227 PolarHBondContact O-N 2.88Å; E227-R254 PolarHBondContact O-NH1 3.04Å; E227-R254 PolarHBondContact O-NH2 2.83Å |
| 228 | K | 93.3 | Very high | 91 | Very high | 176 Ų | 176 | 76.8 Ų | 76.8 | 77% | 0.765 | 37% | 0.369 | S | S | * | . | H | α-helix | trans | -65 | -42.6 | -178 | -174.2 | 173.9 | -178.1 | 175.5 | 0 | 114.2 | M224 Y226 K230 | M224-K228 VanDerWaalsContact O-CB 3.24Å; M224-K228 WeakPolarHBondContact O-CB 3.31Å; M224-K228 PolarHBondContact O-N 2.98Å; Y226-K228 VanDerWaalsContact C-N 3.34Å; Y226-K228 PolarHBondContact O-N 3.49Å; K228-K230 PolarHBondContact O-N 3.45Å |
| 229 | N | 92.3 | Very high | 91.2 | Very high | 60 Ų | 60 | 82.8 Ų | 82.8 | 32% | 0.321 | 39% | 0.394 | S | S | . | . | trans | -92.5 | 98.8 | -171.3 | -67 | -72.6 | 0 | 0 | 0 | 111.3 | F225 Y226 S231 L232 R254 | F225-N229 VanDerWaalsContact CD2-ND2 3.29Å; F225-N229 WeakPolarHBondContact CD2-ND2 3.24Å; F225-N229 WeakPolarHBondContact CE2-ND2 3.23Å; F225-N229 WeakPolarHBondContact O-CB 3.5Å; F225-N229 PolarHBondContact O-N 3Å; F225-N229 VanDerWaalsContact O-N 3.14Å; F225-N229 PolarHBondContact O-ND2 2.94Å; Y226-N229 PolarHBondContact O-N 3.37Å; N229-S231 PolarHBondContact O-N 3.22Å; N229-L232 HydrophobicContact CB-CD2 3.71Å; N229-R254 WeakPolarHBondContact O-CD 3.31Å; N229-R254 PolarHBondContact O-NH1 2.62Å | ||
| 230 | K | 88.5 | Confident | 91.9 | Very high | 180 Ų | 180 | 81.5 Ų | 81.5 | 78% | 0.783 | 39% | 0.385 | S | S | * | . | S | Bend | trans | -67.7 | -32.1 | -175.7 | -71.3 | -172.3 | 178.7 | -179.1 | 0 | 114.3 | K228 R254 | K228-K230 PolarHBondContact O-N 3.45Å; K230-R254 VanDerWaalsContact CA-NH1 3.34Å |
| 231 | S | 88.8 | Confident | 92.4 | Very high | 82 Ų | 82 | 79.3 Ų | 79.3 | 57% | 0.573 | 38% | 0.378 | S | S | * | . | S | Bend | trans | -107.1 | 131.9 | 163.7 | -177.9 | 0 | 0 | 0 | 0 | 108.4 | N229 | N229-S231 PolarHBondContact O-N 3.22Š|
| 232 | L | 91.6 | Very high | 92.7 | Very high | 6 Ų | 6 | 81.4 Ų | 81.4 | 3% | 0.031 | 40% | 0.395 | C | S | . | . | trans | -108.9 | 131.4 | 170.8 | -66.5 | 176.5 | 0 | 0 | 0 | 107.6 | P183 W198 F214 F225 Y226 N229 R254 | P183-L232 HydrophobicContact CG-CD1 4.07Å; W198-L232 HydrophobicContact CH2-CD1 3.79Å; W198-L232 HydrophobicContact CZ3-CD1 4.5Å; F214-L232 HydrophobicContact CE1-CB 4.19Å; F214-L232 HydrophobicContact CE1-CD2 4.43Å; F214-L232 HydrophobicContact CZ-CB 3.88Å; F225-L232 HydrophobicContact CD1-CD2 4.49Å; F225-L232 HydrophobicContact CE1-CD2 3.67Å; F225-L232 HydrophobicContact CZ-CD2 3.98Å; Y226-L232 HydrophobicContact CD1-CD1 3.49Å; Y226-L232 VanDerWaalsContact CD1-CD1 3.49Å; Y226-L232 HydrophobicContact CD1-CD2 4.23Å; Y226-L232 HydrophobicContact CE1-CD1 3.8Å; Y226-L232 HydrophobicContact CG-CD1 4.37Å; N229-L232 HydrophobicContact CB-CD2 3.71Å; L232-R254 HydrophobicContact CB-CB 4.34Å; L232-R254 HydrophobicContact CD1-CB 3.78Å; L232-R254 HydrophobicContact CD1-CG 3.92Å; L232-R254 HydrophobicContact CG-CB 3.97Å; L232-R254 HydrophobicContact CG-CG 4.32Å | ||
| 233 | Q | 89.1 | Confident | 92.8 | Very high | 113 Ų | 113 | 85.7 Ų | 85.7 | 53% | 0.528 | 42% | 0.415 | S | S | . | . | trans | -130 | 111.3 | 179.4 | -68.2 | -63.3 | -47.8 | 0 | 0 | 108.2 | ||||
| 234 | P | 92.6 | Very high | 93.1 | Very high | 12 Ų | 12 | 82.2 Ų | 82.2 | 8% | 0.078 | 40% | 0.401 | C | S | . | . | trans | -70.6 | 146.6 | 177.3 | 30.2 | -34.9 | 0 | 0 | 0 | 110.8 | Y205 P213 F214 I236 L249 L252 | Y205-P234 HydrophobicContact CD2-CB 3.94Å; Y205-P234 HydrophobicContact CE2-CB 3.7Å; P213-P234 HydrophobicContact CB-CB 4.1Å; F214-P234 HydrophobicContact CZ-CB 4.3Å; P234-I236 VanDerWaalsContact C-N 3.32Å; P234-I236 HydrophobicContact CB-CG1 4.43Å; P234-I236 HydrophobicContact CG-CD1 4.1Å; P234-I236 HydrophobicContact CG-CG1 4.13Å; P234-I236 PolarHBondContact O-N 2.98Å; P234-L249 HydrophobicContact CG-CD2 4.09Å; P234-L252 HydrophobicContact CB-CD1 3.92Å; P234-L252 HydrophobicContact CG-CB 4.29Å; P234-L252 HydrophobicContact CG-CD1 3.89Å | ||
| 235 | I | 93.1 | Very high | 93.4 | Very high | 139 Ų | 139 | 78.6 Ų | 78.6 | 71% | 0.713 | 39% | 0.386 | S | S | * | . | trans | -83.6 | 78.4 | -178 | -52.8 | 178.9 | 0 | 0 | 0 | 109.6 | Y205 | Y205-I235 PolarHBondContact OH-N 3.37Å; Y205-I235 PolarHBondContact OH-O 2.93Å; Y205-I235 VanDerWaalsContact OH-O 3.1Å | ||
| 236 | I | 94.1 | Very high | 93.6 | Very high | 41 Ų | 41 | 79.8 Ų | 79.8 | 21% | 0.21 | 40% | 0.396 | C | S | . | . | trans | -73.6 | 129.8 | 179.8 | -60.9 | 172.6 | 0 | 0 | 0 | 109.7 | Y205 P234 T240 L248 L249 | Y205-I236 HydrophobicContact CE2-CG1 4.39Å; P234-I236 VanDerWaalsContact C-N 3.32Å; P234-I236 HydrophobicContact CB-CG1 4.43Å; P234-I236 HydrophobicContact CG-CD1 4.1Å; P234-I236 HydrophobicContact CG-CG1 4.13Å; P234-I236 PolarHBondContact O-N 2.98Å; I236-T240 HydrophobicContact CG2-CG2 3.88Å; I236-T240 WeakPolarHBondContact CG2-OG1 3.34Å; I236-L248 HydrophobicContact CD1-CB 3.8Å; I236-L248 HydrophobicContact CD1-CD1 4.33Å; I236-L248 HydrophobicContact CG1-CD1 4.35Å; I236-L249 HydrophobicContact CD1-CD2 3.95Å; I236-L249 HydrophobicContact CD1-CG 3.84Å | ||
| 237 | P | 94.1 | Very high | 93.7 | Very high | 41 Ų | 41 | 79.8 Ų | 79.8 | 27% | 0.266 | 40% | 0.396 | S | S | . | . | trans | -58.6 | 147.1 | 175 | -23.8 | 33.6 | 0 | 0 | 0 | 112.5 | V209 E239 T240 | V209-P237 HydrophobicContact CG2-CG 3.97Å; P237-E239 VanDerWaalsContact CB-OE2 3.27Å; P237-E239 WeakPolarHBondContact CB-OE2 3.44Å; P237-E239 PolarHBondContact O-N 3.04Å; P237-T240 VanDerWaalsContact O-CB 3.26Å; P237-T240 WeakPolarHBondContact O-CB 3.17Å; P237-T240 PolarHBondContact O-N 3.3Å; P237-T240 PolarHBondContact O-OG1 3.07Å | ||
| 238 | R | 91.5 | Very high | 94 | Very high | 239 Ų | 239 | 76.4 Ų | 76.4 | 90% | 0.902 | 38% | 0.38 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.2 | -16.9 | -177.4 | -66.5 | -175.7 | 175.9 | -161.7 | -1.2 | 113.3 | T240 | R238-T240 VanDerWaalsContact C-N 3.31Š|
| 239 | E | 93.6 | Very high | 94.2 | Very high | 162 Ų | 162 | 70.9 Ų | 70.9 | 76% | 0.757 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.7 | -8.9 | -178.7 | -54.7 | 68.3 | -148.5 | 0 | 0 | 111.9 | P237 | P237-E239 VanDerWaalsContact CB-OE2 3.27Å; P237-E239 WeakPolarHBondContact CB-OE2 3.44Å; P237-E239 PolarHBondContact O-N 3.04Å |
| 240 | T | 96.1 | Very high | 94.4 | Very high | 18 Ų | 18 | 68.8 Ų | 68.8 | 11% | 0.11 | 35% | 0.352 | C | S | . | . | S | Bend | trans | -67.9 | 138.3 | 177.4 | -46.2 | 0 | 0 | 0 | 0 | 110.6 | E105 L208 I236 P237 R238 L244 | E105-T240 WeakPolarHBondContact OE1-CA 3.37Å; L208-T240 HydrophobicContact CD2-CG2 3.77Å; I236-T240 HydrophobicContact CG2-CG2 3.88Å; I236-T240 WeakPolarHBondContact CG2-OG1 3.34Å; P237-T240 VanDerWaalsContact O-CB 3.26Å; P237-T240 WeakPolarHBondContact O-CB 3.17Å; P237-T240 PolarHBondContact O-N 3.3Å; P237-T240 PolarHBondContact O-OG1 3.07Å; R238-T240 VanDerWaalsContact C-N 3.31Å; T240-L244 HydrophobicContact CG2-CB 3.8Å; T240-L244 HydrophobicContact CG2-CD2 4.01Å; T240-L244 HydrophobicContact CG2-CG 3.86Å |
| 241 | S | 96.6 | Very high | 94.9 | Very high | 25 Ų | 25 | 60.2 Ų | 60.2 | 18% | 0.175 | 31% | 0.314 | C | S | . | . | trans | -61.7 | 146.7 | 175.2 | 69.5 | 0 | 0 | 0 | 0 | 111.5 | E105 Q243 L244 G245 | E105-S241 PolarHBondContact OE1-N 3.36Å; E105-S241 WeakPolarHBondContact OE2-CB 3.27Å; E105-S241 PolarHBondContact OE2-OG 2.91Å; S241-Q243 PolarHBondContact O-N 3.44Å; S241-Q243 VanDerWaalsContact O-N 3.13Å; S241-L244 PolarHBondContact O-N 3.01Å; S241-L244 VanDerWaalsContact O-N 3.09Å; S241-L244 WeakPolarHBondContact OG-CB 3.39Å; S241-L244 PolarHBondContact OG-N 3.34Å; S241-G245 PolarHBondContact O-N 3.3Å | ||
| 242 | P | 96.1 | Very high | 95.3 | Very high | 106 Ų | 106 | 56.4 Ų | 56.4 | 69% | 0.688 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -54 | -34.9 | 176.2 | -27.9 | 35.8 | 0 | 0 | 0 | 112.9 | G245 D246 | P242-G245 PolarHBondContact O-N 2.85Å; P242-D246 VanDerWaalsContact O-CB 3.27Å; P242-D246 WeakPolarHBondContact O-CB 3.46Å; P242-D246 PolarHBondContact O-N 2.87Å |
| 243 | Q | 96.3 | Very high | 95.5 | Very high | 94 Ų | 94 | 58.7 Ų | 58.7 | 44% | 0.439 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | 179 | -61.2 | 81.2 | 0.5 | 0 | 0 | 112.7 | S241 L247 H268 F270 | S241-Q243 PolarHBondContact O-N 3.44Å; S241-Q243 VanDerWaalsContact O-N 3.13Å; Q243-L247 WeakPolarHBondContact O-CB 3.34Å; Q243-L247 PolarHBondContact O-N 3.48Å; Q243-H268 PolarHBondContact O-CE1 3.44Å; Q243-H268 VanDerWaalsContact O-CE1 3.26Å; Q243-F270 HydrophobicContact CB-CB 4.1Å; Q243-F270 HydrophobicContact CB-CD2 4.26Å |
| 244 | L | 96.8 | Very high | 95.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -75.3 | -33.8 | 174.5 | -177.2 | 55 | 0 | 0 | 0 | 111.6 | E105 L108 I204 L208 T240 S241 L247 L248 F270 | E105-L244 HydrophobicContact CB-CD2 4.49Å; E105-L244 HydrophobicContact CG-CD2 3.67Å; L108-L244 HydrophobicContact CD1-CD2 4.27Å; I204-L244 HydrophobicContact CG2-CD1 3.95Å; L208-L244 HydrophobicContact CD1-CD2 4.13Å; L208-L244 HydrophobicContact CD2-CD2 4.1Å; T240-L244 HydrophobicContact CG2-CB 3.8Å; T240-L244 HydrophobicContact CG2-CD2 4.01Å; T240-L244 HydrophobicContact CG2-CG 3.86Å; S241-L244 PolarHBondContact O-N 3.01Å; S241-L244 VanDerWaalsContact O-N 3.09Å; S241-L244 WeakPolarHBondContact OG-CB 3.39Å; S241-L244 PolarHBondContact OG-N 3.34Å; L244-L247 HydrophobicContact CD1-CD2 4.39Å; L244-L248 HydrophobicContact CD1-CD1 4.36Å; L244-L248 HydrophobicContact CD1-CG 4.23Å; L244-L248 HydrophobicContact CG-CD1 4.23Å; L244-L248 WeakPolarHBondContact O-CB 3.04Å; L244-L248 VanDerWaalsContact O-CG 3.31Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 3.41Å; L244-F270 HydrophobicContact CB-CD2 3.83Å; L244-F270 HydrophobicContact CB-CE2 3.71Å; L244-F270 HydrophobicContact CB-CZ 4.31Å; L244-F270 HydrophobicContact CD1-CD1 4.25Å; L244-F270 HydrophobicContact CD1-CD2 4.46Å; L244-F270 HydrophobicContact CD1-CE1 3.96Å; L244-F270 HydrophobicContact CD1-CE2 4.17Å; L244-F270 HydrophobicContact CD1-CZ 3.93Å; L244-F270 HydrophobicContact CD2-CE2 4.21Å; L244-F270 HydrophobicContact CD2-CZ 4.14Å; L244-F270 HydrophobicContact CG-CE2 4.25Å; L244-F270 HydrophobicContact CG-CZ 4.36Å |
| 245 | G | 97.1 | Very high | 95.9 | Very high | 11 Ų | 11 | 57.9 Ų | 57.9 | 11% | 0.113 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -60.8 | -51.7 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | S241 P242 L247 L248 L249 | S241-G245 PolarHBondContact O-N 3.3Å; P242-G245 PolarHBondContact O-N 2.85Å; G245-L247 PolarHBondContact O-N 2.72Å; G245-L248 PolarHBondContact O-N 2.86Å; G245-L249 VanDerWaalsContact O-CG 3.32Å; G245-L249 WeakPolarHBondContact O-CG 3.49Å; G245-L249 PolarHBondContact O-N 2.93Å |
| 246 | D | 97.1 | Very high | 95.9 | Very high | 99 Ų | 99 | 52.4 Ų | 52.4 | 53% | 0.529 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.5 | -47.6 | 176.6 | -174.7 | 61.9 | 0 | 0 | 0 | 112.1 | P242 L248 L249 G250 H268 | P242-D246 VanDerWaalsContact O-CB 3.27Å; P242-D246 WeakPolarHBondContact O-CB 3.46Å; P242-D246 PolarHBondContact O-N 2.87Å; D246-L248 PolarHBondContact O-N 2.99Å; D246-L249 PolarHBondContact O-N 3.17Å; D246-G250 PolarHBondContact O-N 3.04Å; D246-H268 IonicContact OD2-NE2 3.3Å; D246-H268 PolarHBondContact OD2-NE2 3.2Å; D246-H268 VanDerWaalsContact OD2-NE2 3.16Å |
| 247 | L | 97.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 58.4 Ų | 58.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -56.9 | -47.3 | 175.5 | -179.3 | 56.5 | 0 | 0 | 0 | 112.6 | L112 Q243 L244 G245 G250 L251 M260 F265 H268 F270 | L112-L247 HydrophobicContact CD2-CD2 3.67Å; Q243-L247 WeakPolarHBondContact O-CB 3.34Å; Q243-L247 PolarHBondContact O-N 3.48Å; L244-L247 HydrophobicContact CD1-CD2 4.39Å; G245-L247 PolarHBondContact O-N 2.72Å; L247-G250 PolarHBondContact O-N 3.29Å; L247-L251 HydrophobicContact CD1-CD1 3.74Å; L247-L251 HydrophobicContact CD1-CG 4.05Å; L247-L251 HydrophobicContact CG-CD1 3.97Å; L247-L251 WeakPolarHBondContact O-CB 3.43Å; L247-L251 VanDerWaalsContact O-CG 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.23Å; L247-L251 PolarHBondContact O-N 3.46Å; L247-M260 HydrophobicContact CD1-CE 3.94Å; L247-M260 HydrophobicContact CD1-SD 3.86Å; L247-F265 HydrophobicContact CD1-CD2 4.12Å; L247-F265 HydrophobicContact CD1-CE2 4.49Å; L247-H268 HydrophobicContact CD1-CB 4.29Å; L247-F270 HydrophobicContact CD2-CB 4.04Å; L247-F270 HydrophobicContact CD2-CD1 3.67Å; L247-F270 HydrophobicContact CD2-CG 4.12Å |
| 248 | L | 97.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 61.5 Ų | 61.5 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.9 | -40.3 | 178.9 | -76.6 | 174.9 | 0 | 0 | 0 | 111.8 | I204 Y205 L208 I236 L244 G245 D246 L252 | I204-L248 HydrophobicContact CB-CD2 4.2Å; I204-L248 HydrophobicContact CG2-CD2 4Å; Y205-L248 HydrophobicContact CD2-CD1 4.48Å; L208-L248 HydrophobicContact CD2-CD1 3.81Å; I236-L248 HydrophobicContact CD1-CB 3.8Å; I236-L248 HydrophobicContact CD1-CD1 4.33Å; I236-L248 HydrophobicContact CG1-CD1 4.35Å; L244-L248 HydrophobicContact CD1-CD1 4.36Å; L244-L248 HydrophobicContact CD1-CG 4.23Å; L244-L248 HydrophobicContact CG-CD1 4.23Å; L244-L248 WeakPolarHBondContact O-CB 3.04Å; L244-L248 VanDerWaalsContact O-CG 3.31Å; L244-L248 WeakPolarHBondContact O-CG 3.44Å; L244-L248 PolarHBondContact O-N 3.41Å; G245-L248 PolarHBondContact O-N 2.86Å; D246-L248 PolarHBondContact O-N 2.99Å; L248-L252 HydrophobicContact CD2-CD1 4.5Å; L248-L252 VanDerWaalsContact O-CB 3.23Å; L248-L252 WeakPolarHBondContact O-CB 3.33Å; L248-L252 WeakPolarHBondContact O-CG 3.22Å; L248-L252 PolarHBondContact O-N 3.43Å |
| 249 | L | 96.8 | Very high | 96.1 | Very high | 60 Ų | 60 | 50.3 Ų | 50.3 | 31% | 0.314 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -67.9 | -37.5 | 176.9 | -69.3 | 173 | 0 | 0 | 0 | 112.2 | P234 I236 G245 D246 Q253 | P234-L249 HydrophobicContact CG-CD2 4.09Å; I236-L249 HydrophobicContact CD1-CD2 3.95Å; I236-L249 HydrophobicContact CD1-CG 3.84Å; G245-L249 VanDerWaalsContact O-CG 3.32Å; G245-L249 WeakPolarHBondContact O-CG 3.49Å; G245-L249 PolarHBondContact O-N 2.93Å; D246-L249 PolarHBondContact O-N 3.17Å; L249-Q253 WeakPolarHBondContact O-CG 3.48Å; L249-Q253 PolarHBondContact O-NE2 3.24Å |
| 250 | G | 97.1 | Very high | 96.3 | Very high | 17 Ų | 17 | 43.5 Ų | 43.5 | 18% | 0.175 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -71.1 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | D246 L247 R259 M260 | D246-G250 PolarHBondContact O-N 3.04Å; L247-G250 PolarHBondContact O-N 3.29Å; G250-R259 WeakPolarHBondContact O-CG 3.33Å; G250-M260 WeakPolarHBondContact O-CB 3.44Å; G250-M260 PolarHBondContact O-N 3.42Å |
| 251 | L | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -76.4 | -35.1 | 176.2 | -67.2 | 173 | 0 | 0 | 0 | 112.9 | L197 L247 Q253 R259 M260 F265 | L197-L251 HydrophobicContact CB-CD2 3.91Å; L197-L251 HydrophobicContact CD2-CD2 4.36Å; L247-L251 HydrophobicContact CD1-CD1 3.74Å; L247-L251 HydrophobicContact CD1-CG 4.05Å; L247-L251 HydrophobicContact CG-CD1 3.97Å; L247-L251 WeakPolarHBondContact O-CB 3.43Å; L247-L251 VanDerWaalsContact O-CG 3.27Å; L247-L251 WeakPolarHBondContact O-CG 3.23Å; L247-L251 PolarHBondContact O-N 3.46Å; L251-Q253 VanDerWaalsContact C-N 3.34Å; L251-Q253 PolarHBondContact O-N 3.23Å; L251-R259 VanDerWaalsContact O-CD 3.24Å; L251-R259 WeakPolarHBondContact O-CD 3.49Å; L251-R259 WeakPolarHBondContact O-CG 3.41Å; L251-M260 HydrophobicContact CD2-CB 4.39Å; L251-M260 HydrophobicContact CD2-SD 4.05Å; L251-M260 HydrophobicContact CG-SD 4.33Å; L251-F265 HydrophobicContact CD1-CD2 4.43Å; L251-F265 HydrophobicContact CD1-CE2 4.35Å; L251-F265 HydrophobicContact CD2-CD2 4.01Å |
| 252 | L | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -94.6 | 30.2 | -175.8 | -63.9 | 173.4 | 0 | 0 | 0 | 114 | W198 T202 Y205 P213 P234 L248 | W198-L252 HydrophobicContact CD2-CD2 4Å; W198-L252 HydrophobicContact CE3-CD2 4.11Å; W198-L252 HydrophobicContact CH2-CD2 4.42Å; W198-L252 HydrophobicContact CZ2-CD2 4.31Å; W198-L252 VanDerWaalsContact CZ3-C 3.4Å; W198-L252 HydrophobicContact CZ3-CB 4.31Å; W198-L252 HydrophobicContact CZ3-CD2 4.33Å; W198-L252 VanDerWaalsContact CZ3-O 3.26Å; W198-L252 WeakPolarHBondContact CZ3-O 3.43Å; T202-L252 HydrophobicContact CG2-CD2 3.69Å; Y205-L252 HydrophobicContact CD2-CD1 4.49Å; P213-L252 HydrophobicContact CB-CD1 4.19Å; P213-L252 HydrophobicContact CG-CD1 4.11Å; P213-L252 HydrophobicContact CG-CD2 4.35Å; P234-L252 HydrophobicContact CB-CD1 3.92Å; P234-L252 HydrophobicContact CG-CB 4.29Å; P234-L252 HydrophobicContact CG-CD1 3.89Å; L248-L252 HydrophobicContact CD2-CD1 4.5Å; L248-L252 VanDerWaalsContact O-CB 3.23Å; L248-L252 WeakPolarHBondContact O-CB 3.33Å; L248-L252 WeakPolarHBondContact O-CG 3.22Å; L248-L252 PolarHBondContact O-N 3.43Å |
| 253 | Q | 97.1 | Very high | 96.3 | Very high | 54 Ų | 54 | 45 Ų | 45 | 25% | 0.252 | 23% | 0.229 | S | C | . | . | trans | -72.5 | 129.4 | 169.3 | -67.4 | -60.1 | -30.6 | 0 | 0 | 111.6 | W198 L249 L251 N255 R259 | W198-Q253 WeakPolarHBondContact CZ3-O 3.44Å; L249-Q253 WeakPolarHBondContact O-CG 3.48Å; L249-Q253 PolarHBondContact O-NE2 3.24Å; L251-Q253 VanDerWaalsContact C-N 3.34Å; L251-Q253 PolarHBondContact O-N 3.23Å; Q253-N255 VanDerWaalsContact C-N 3.35Å; Q253-N255 PolarHBondContact O-N 3.08Å; Q253-R259 HydrophobicContact CB-CB 3.88Å; Q253-R259 HydrophobicContact CB-CG 4.21Å; Q253-R259 PolarHBondContact O-NE 3.33Å; Q253-R259 PolarHBondContact O-NH2 2.92Å | ||
| 254 | R | 94.9 | Very high | 96.4 | Very high | 42 Ų | 42 | 44 Ų | 44 | 16% | 0.158 | 23% | 0.229 | C | C | . | . | S | Bend | trans | -57.4 | -48 | 179.9 | -179.9 | -178.5 | 163.7 | -178.3 | -1.2 | 111.5 | P183 M187 Y226 E227 N229 K230 L232 R259 | P183-R254 HydrophobicContact CB-CG 3.99Å; P183-R254 HydrophobicContact CG-CG 4.1Å; M187-R254 PolarHBondContact SD-NH2 3.26Å; M187-R254 VanDerWaalsContact SD-NH2 3.38Å; Y226-R254 PolarHBondContact O-NE 2.87Å; Y226-R254 PolarHBondContact O-NH1 3.41Å; Y226-R254 PolarHBondContact O-NH2 3.17Å; E227-R254 PolarHBondContact O-NH1 3.04Å; E227-R254 PolarHBondContact O-NH2 2.83Å; N229-R254 WeakPolarHBondContact O-CD 3.31Å; N229-R254 PolarHBondContact O-NH1 2.62Å; K230-R254 VanDerWaalsContact CA-NH1 3.34Å; L232-R254 HydrophobicContact CB-CB 4.34Å; L232-R254 HydrophobicContact CD1-CB 3.78Å; L232-R254 HydrophobicContact CD1-CG 3.92Å; L232-R254 HydrophobicContact CG-CB 3.97Å; L232-R254 HydrophobicContact CG-CG 4.32Å; R254-R259 PolarHBondContact O-NH2 3.43Å |
| 255 | N | 93.4 | Very high | 96.4 | Very high | 66 Ų | 66 | 44 Ų | 44 | 35% | 0.353 | 23% | 0.229 | S | C | . | . | S | Bend | trans | -85.1 | 123.5 | -177.4 | 175.4 | 13.4 | 0 | 0 | 0 | 110 | Q253 K257 D258 R259 | Q253-N255 VanDerWaalsContact C-N 3.35Å; Q253-N255 PolarHBondContact O-N 3.08Å; N255-K257 PolarHBondContact O-N 3.02Å; N255-K257 VanDerWaalsContact O-N 3.14Å; N255-K257 WeakPolarHBondContact OD1-CB 3.5Å; N255-K257 PolarHBondContact OD1-N 3.29Å; N255-K257 VanDerWaalsContact OD1-N 3.11Å; N255-D258 HydrophobicContact CB-CB 4.46Å; N255-D258 VanDerWaalsContact CB-OD2 3.3Å; N255-D258 WeakPolarHBondContact CB-OD2 3.47Å; N255-D258 PolarHBondContact ND2-OD1 3.02Å; N255-D258 PolarHBondContact ND2-OD2 3.45Å; N255-D258 PolarHBondContact O-N 3.2Å; N255-D258 VanDerWaalsContact O-N 3.13Å; N255-R259 PolarHBondContact O-N 3.48Å; N255-R259 VanDerWaalsContact O-N 3.1Å |
| 256 | Q | 93.5 | Very high | 96.4 | Very high | 24 Ų | 24 | 44.2 Ų | 44.2 | 11% | 0.112 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -24.8 | 179.1 | 75.9 | -175 | 8.7 | 0 | 0 | 113.5 | N190 K194 | N190-Q256 PolarHBondContact O-NE2 3Å; K194-Q256 WeakPolarHBondContact CD-O 3.34Å; K194-Q256 PolarHBondContact NZ-O 3.42Å |
| 257 | K | 92.8 | Very high | 96.4 | Very high | 167 Ų | 167 | 45.3 Ų | 45.3 | 73% | 0.726 | 23% | 0.233 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.4 | -44.5 | 176.6 | -61.7 | -176.6 | 178.6 | -177.9 | 0 | 111.4 | K194 N255 | K194-K257 PolarHBondContact NZ-O 3.43Å; N255-K257 PolarHBondContact O-N 3.02Å; N255-K257 VanDerWaalsContact O-N 3.14Å; N255-K257 WeakPolarHBondContact OD1-CB 3.5Å; N255-K257 PolarHBondContact OD1-N 3.29Å; N255-K257 VanDerWaalsContact OD1-N 3.11Å |
| 258 | D | 94.8 | Very high | 96.4 | Very high | 107 Ų | 107 | 45.8 Ų | 45.8 | 57% | 0.572 | 24% | 0.235 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -84 | -16.2 | -175.6 | -45.4 | -28.6 | 0 | 0 | 0 | 111.9 | N255 | N255-D258 HydrophobicContact CB-CB 4.46Å; N255-D258 VanDerWaalsContact CB-OD2 3.3Å; N255-D258 WeakPolarHBondContact CB-OD2 3.47Å; N255-D258 PolarHBondContact ND2-OD1 3.02Å; N255-D258 PolarHBondContact ND2-OD2 3.45Å; N255-D258 PolarHBondContact O-N 3.2Å; N255-D258 VanDerWaalsContact O-N 3.13Å |
| 259 | R | 97.2 | Very high | 96.3 | Very high | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.015 | 26% | 0.261 | C | S | . | . | S | Bend | trans | -67 | 141.8 | 176.6 | -162.1 | -179.8 | -57.1 | 142.9 | 8.7 | 111.9 | E184 K194 G250 L251 Q253 R254 N255 D261 | E184-R259 IonicContact OE1-CZ 2.77Å; E184-R259 IonicContact OE1-NH1 2.8Å; E184-R259 PolarHBondContact OE1-NH1 3.21Å; E184-R259 IonicContact OE1-NH2 2.69Å; E184-R259 PolarHBondContact OE1-NH2 3.44Å; E184-R259 IonicContact OE2-CZ 3.04Å; E184-R259 IonicContact OE2-NH1 3.37Å; E184-R259 IonicContact OE2-NH2 2.63Å; E184-R259 PolarHBondContact OE2-NH2 2.87Å; K194-R259 HydrophobicContact CD-CB 4.42Å; K194-R259 PolarHBondContact NZ-O 2.96Å; K194-R259 PolarHBondContact O-NH1 3.32Å; G250-R259 WeakPolarHBondContact O-CG 3.33Å; L251-R259 VanDerWaalsContact O-CD 3.24Å; L251-R259 WeakPolarHBondContact O-CD 3.49Å; L251-R259 WeakPolarHBondContact O-CG 3.41Å; Q253-R259 HydrophobicContact CB-CB 3.88Å; Q253-R259 HydrophobicContact CB-CG 4.21Å; Q253-R259 PolarHBondContact O-NE 3.33Å; Q253-R259 PolarHBondContact O-NH2 2.92Å; R254-R259 PolarHBondContact O-NH2 3.43Å; N255-R259 PolarHBondContact O-N 3.48Å; N255-R259 VanDerWaalsContact O-N 3.1Å; R259-D261 PolarHBondContact O-N 3.32Å |
| 260 | M | 97.1 | Very high | 96.2 | Very high | 19 Ų | 19 | 47 Ų | 47 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | trans | -45.8 | 136.3 | 171.3 | -173.3 | -179.5 | -72.6 | 0 | 0 | 111.5 | L197 L247 G250 L251 T264 F265 | L197-M260 VanDerWaalsContact CD1-O 3.27Å; L197-M260 WeakPolarHBondContact CD1-O 3.46Å; L247-M260 HydrophobicContact CD1-CE 3.94Å; L247-M260 HydrophobicContact CD1-SD 3.86Å; G250-M260 WeakPolarHBondContact O-CB 3.44Å; G250-M260 PolarHBondContact O-N 3.42Å; L251-M260 HydrophobicContact CD2-CB 4.39Å; L251-M260 HydrophobicContact CD2-SD 4.05Å; L251-M260 HydrophobicContact CG-SD 4.33Å; M260-T264 HydrophobicContact CE-CG2 4.31Å; M260-T264 HydrophobicContact CG-CG2 3.78Å; M260-T264 HydrophobicContact SD-CG2 4.33Å; M260-F265 HydrophobicContact CG-CB 4.19Å; M260-F265 VanDerWaalsContact SD-CA 3.57Å; M260-F265 HydrophobicContact SD-CB 3.79Å; M260-F265 HydrophobicContact SD-CD2 4.31Å | ||
| 261 | D | 96.9 | Very high | 96.1 | Very high | 67 Ų | 67 | 47 Ų | 47 | 36% | 0.358 | 24% | 0.242 | S | C | . | . | trans | -91.1 | 175.4 | 173.2 | 57.5 | 45.4 | 0 | 0 | 0 | 112.3 | R259 D263 T264 F265 | R259-D261 PolarHBondContact O-N 3.32Å; D261-D263 PolarHBondContact OD1-N 2.89Å; D261-T264 WeakPolarHBondContact OD1-CB 3.33Å; D261-T264 PolarHBondContact OD1-N 3.29Å; D261-T264 PolarHBondContact OD1-OG1 3.38Å; D261-F265 VanDerWaalsContact O-CB 3.23Å; D261-F265 WeakPolarHBondContact O-CB 3.41Å; D261-F265 PolarHBondContact O-N 2.58Å | ||
| 262 | F | 96.3 | Very high | 95.6 | Very high | 11 Ų | 11 | 53.3 Ų | 53.3 | 5% | 0.048 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | -175.7 | -79 | -84.6 | 0 | 0 | 0 | 113.1 | M119 H123 A193 L197 F265 F266 | M119-F262 HydrophobicContact CB-CE1 4.44Å; M119-F262 HydrophobicContact CE-CE1 3.95Å; M119-F262 HydrophobicContact CE-CZ 4.34Å; H123-F262 HydrophobicContact CB-CD1 4.19Å; H123-F262 HydrophobicContact CB-CE1 4.49Å; H123-F262 HydrophobicContact CB-CG 4.44Å; H123-F262 AromaticContact CD2-CD2 3.47Å; H123-F262 VanDerWaalsContact CD2-CD2 3.47Å; H123-F262 WeakPolarHBondContact CD2-CD2 3.38Å; H123-F262 AromaticContact CD2-CE2 3.93Å; H123-F262 AromaticContact CD2-CG 3.58Å; H123-F262 AromaticContact CG-CG 3.86Å; H123-F262 AromaticContact NE2-CD2 3.59Å; H123-F262 AromaticContact NE2-CG 3.79Å; A193-F262 HydrophobicContact CB-CD2 4.46Å; A193-F262 HydrophobicContact CB-CE2 3.45Å; A193-F262 VanDerWaalsContact CB-CE2 3.45Å; A193-F262 HydrophobicContact CB-CZ 3.89Å; A193-F262 WeakPolarHBondContact O-CZ 3.35Å; L197-F262 HydrophobicContact CD1-CD1 4.21Å; L197-F262 HydrophobicContact CD1-CD2 3.86Å; L197-F262 HydrophobicContact CD1-CE1 4.23Å; L197-F262 HydrophobicContact CD1-CE2 3.84Å; L197-F262 HydrophobicContact CD1-CG 4.04Å; L197-F262 HydrophobicContact CD1-CZ 4.05Å; L197-F262 HydrophobicContact CD2-CD1 3.88Å; L197-F262 HydrophobicContact CD2-CE1 3.63Å; L197-F262 HydrophobicContact CD2-CZ 4.06Å; L197-F262 HydrophobicContact CG-CD1 4.24Å; L197-F262 HydrophobicContact CG-CD2 4.43Å; L197-F262 HydrophobicContact CG-CE1 3.83Å; L197-F262 HydrophobicContact CG-CE2 4Å; L197-F262 HydrophobicContact CG-CZ 3.7Å; F262-F265 PolarHBondContact O-N 2.87Å; F262-F266 HydrophobicContact CB-CD2 4.3Å; F262-F266 HydrophobicContact CB-CE2 3.78Å; F262-F266 HydrophobicContact CB-CZ 4.18Å; F262-F266 HydrophobicContact CD1-CE1 4.29Å; F262-F266 HydrophobicContact CD1-CE2 4.13Å; F262-F266 AromaticContact CD1-CZ 3.64Å; F262-F266 HydrophobicContact CD1-CZ 3.64Å; F262-F266 HydrophobicContact CG-CE2 4.42Å; F262-F266 HydrophobicContact CG-CZ 4.37Å; F262-F266 WeakPolarHBondContact O-CB 3.41Å; F262-F266 WeakPolarHBondContact O-CD2 3.44Å; F262-F266 WeakPolarHBondContact O-CG 3.43Å; F262-F266 PolarHBondContact O-N 2.78Å |
| 263 | D | 96.1 | Very high | 94.4 | Very high | 103 Ų | 103 | 58.3 Ų | 58.3 | 55% | 0.551 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -73.3 | -38 | -177.6 | -64.1 | -48.7 | 0 | 0 | 0 | 111.3 | D261 N267 | D261-D263 PolarHBondContact OD1-N 2.89Å; D263-N267 PolarHBondContact O-N 3.12Å; D263-N267 PolarHBondContact O-ND2 3.48Å |
| 264 | T | 97.1 | Very high | 92.7 | Very high | 71 Ų | 71 | 59.9 Ų | 59.9 | 44% | 0.436 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 169.9 | -53.5 | 0 | 0 | 0 | 0 | 111 | M260 D261 N267 H268 | M260-T264 HydrophobicContact CE-CG2 4.31Å; M260-T264 HydrophobicContact CG-CG2 3.78Å; M260-T264 HydrophobicContact SD-CG2 4.33Å; D261-T264 WeakPolarHBondContact OD1-CB 3.33Å; D261-T264 PolarHBondContact OD1-N 3.29Å; D261-T264 PolarHBondContact OD1-OG1 3.38Å; T264-N267 PolarHBondContact O-N 3.37Å; T264-H268 PolarHBondContact O-N 3.26Å; T264-H268 VanDerWaalsContact O-N 3.1Å |
| 265 | F | 97.9 | Very high | 90.4 | Very high | 0 Ų | 0 | 62.4 Ų | 62.4 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 177 | 170.5 | -114.1 | 0 | 0 | 0 | 112.4 | L112 A116 L197 I200 L247 L251 M260 D261 F262 N267 H268 L271 | L112-F265 HydrophobicContact CD1-CE2 4.1Å; L112-F265 HydrophobicContact CD1-CZ 3.89Å; L112-F265 HydrophobicContact CG-CE2 4.46Å; A116-F265 HydrophobicContact CB-CE1 3.82Å; A116-F265 HydrophobicContact CB-CZ 3.95Å; L197-F265 HydrophobicContact CD2-CB 4.21Å; L197-F265 HydrophobicContact CD2-CD1 3.59Å; L197-F265 HydrophobicContact CD2-CD2 4.48Å; L197-F265 HydrophobicContact CD2-CE1 4.04Å; L197-F265 HydrophobicContact CD2-CG 3.84Å; I200-F265 HydrophobicContact CG2-CE2 4.44Å; I200-F265 HydrophobicContact CG2-CZ 4.27Å; L247-F265 HydrophobicContact CD1-CD2 4.12Å; L247-F265 HydrophobicContact CD1-CE2 4.49Å; L251-F265 HydrophobicContact CD1-CD2 4.43Å; L251-F265 HydrophobicContact CD1-CE2 4.35Å; L251-F265 HydrophobicContact CD2-CD2 4.01Å; M260-F265 HydrophobicContact CG-CB 4.19Å; M260-F265 VanDerWaalsContact SD-CA 3.57Å; M260-F265 HydrophobicContact SD-CB 3.79Å; M260-F265 HydrophobicContact SD-CD2 4.31Å; D261-F265 VanDerWaalsContact O-CB 3.23Å; D261-F265 WeakPolarHBondContact O-CB 3.41Å; D261-F265 PolarHBondContact O-N 2.58Å; F262-F265 PolarHBondContact O-N 2.87Å; F265-N267 VanDerWaalsContact C-N 3.26Å; F265-N267 PolarHBondContact O-N 3.13Å; F265-H268 WeakPolarHBondContact O-CB 3.46Å; F265-H268 PolarHBondContact O-N 2.98Å; F265-L271 HydrophobicContact CE2-CD1 4.31Å; F265-L271 WeakPolarHBondContact O-CD1 3.27Å |
| 266 | F | 96.9 | Very high | 87.9 | Confident | 17 Ų | 17 | 65.8 Ų | 65.8 | 8% | 0.075 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.8 | -24.1 | -177.8 | -69 | -32.2 | 0 | 0 | 0 | 114.3 | A116 M119 R120 H123 F262 | A116-F266 HydrophobicContact CB-CD1 4.32Å; A116-F266 WeakPolarHBondContact O-CE1 3.36Å; M119-F266 HydrophobicContact CB-CE1 4Å; M119-F266 HydrophobicContact CB-CZ 4.3Å; R120-F266 HydrophobicContact CB-CD1 4.46Å; R120-F266 HydrophobicContact CB-CE1 3.9Å; R120-F266 HydrophobicContact CB-CE2 4.12Å; R120-F266 HydrophobicContact CB-CZ 3.73Å; R120-F266 HydrophobicContact CG-CD2 4.31Å; R120-F266 HydrophobicContact CG-CE2 3.99Å; R120-F266 HydrophobicContact CG-CZ 4.14Å; H123-F266 HydrophobicContact CB-CE2 4.47Å; H123-F266 HydrophobicContact CB-CZ 4.34Å; F262-F266 HydrophobicContact CB-CD2 4.3Å; F262-F266 HydrophobicContact CB-CE2 3.78Å; F262-F266 HydrophobicContact CB-CZ 4.18Å; F262-F266 HydrophobicContact CD1-CE1 4.29Å; F262-F266 HydrophobicContact CD1-CE2 4.13Å; F262-F266 AromaticContact CD1-CZ 3.64Å; F262-F266 HydrophobicContact CD1-CZ 3.64Å; F262-F266 HydrophobicContact CG-CE2 4.42Å; F262-F266 HydrophobicContact CG-CZ 4.37Å; F262-F266 WeakPolarHBondContact O-CB 3.41Å; F262-F266 WeakPolarHBondContact O-CD2 3.44Å; F262-F266 WeakPolarHBondContact O-CG 3.43Å; F262-F266 PolarHBondContact O-N 2.78Å |
| 267 | N | 96.5 | Very high | 85.4 | Confident | 122 Ų | 122 | 71.8 Ų | 71.8 | 65% | 0.652 | 40% | 0.4 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -108.2 | 12.7 | 179.2 | -60.9 | -69.1 | 0 | 0 | 0 | 112.5 | D263 T264 F265 | D263-N267 PolarHBondContact O-N 3.12Å; D263-N267 PolarHBondContact O-ND2 3.48Å; T264-N267 PolarHBondContact O-N 3.37Å; F265-N267 VanDerWaalsContact C-N 3.26Å; F265-N267 PolarHBondContact O-N 3.13Å |
| 268 | H | 97.6 | Very high | 82.8 | Confident | 9 Ų | 9 | 72.8 Ų | 72.8 | 4% | 0.042 | 41% | 0.405 | C | S | . | . | trans | -66.7 | 132.4 | -174.7 | -170.4 | -87.2 | 0 | 0 | 0 | 112 | Q243 D246 L247 T264 F265 F270 L271 | Q243-H268 PolarHBondContact O-CE1 3.44Å; Q243-H268 VanDerWaalsContact O-CE1 3.26Å; D246-H268 IonicContact OD2-NE2 3.3Å; D246-H268 PolarHBondContact OD2-NE2 3.2Å; D246-H268 VanDerWaalsContact OD2-NE2 3.16Å; L247-H268 HydrophobicContact CD1-CB 4.29Å; T264-H268 PolarHBondContact O-N 3.26Å; T264-H268 VanDerWaalsContact O-N 3.1Å; F265-H268 WeakPolarHBondContact O-CB 3.46Å; F265-H268 PolarHBondContact O-N 2.98Å; H268-F270 WeakPolarHBondContact ND1-CB 3.44Å; H268-F270 PolarHBondContact ND1-N 3.45Å; H268-F270 PolarHBondContact O-N 3.4Å; H268-L271 HydrophobicContact CB-CG 4.42Å; H268-L271 WeakPolarHBondContact O-CB 3.41Å; H268-L271 PolarHBondContact O-N 3.03Å | ||
| 269 | P | 96.1 | Very high | 80.2 | Confident | 85 Ų | 85 | 77.2 Ų | 77.2 | 55% | 0.552 | 42% | 0.419 | S | S | * | . | G | 310 helix | trans | -55.4 | -26.9 | -174.1 | -30.5 | 36.5 | 0 | 0 | 0 | 116.2 | L271 E272 | P269-L271 PolarHBondContact O-N 3.37Å; P269-E272 PolarHBondContact O-N 3Å |
| 270 | F | 96.2 | Very high | 77.2 | Confident | 2 Ų | 2 | 82.1 Ų | 82.1 | 1% | 0.009 | 45% | 0.453 | C | S | . | . | G | 310 helix | trans | -63.9 | -28.4 | 173.6 | -177.4 | -100 | 0 | 0 | 0 | 113.4 | E105 L108 R109 L112 Q243 L244 L247 H268 | E105-F270 HydrophobicContact CB-CE2 4.32Å; E105-F270 HydrophobicContact CB-CZ 4.42Å; L108-F270 HydrophobicContact CB-CZ 4.46Å; R109-F270 HydrophobicContact CB-CE1 4.01Å; R109-F270 HydrophobicContact CB-CZ 3.98Å; R109-F270 WeakPolarHBondContact CD-O 3.24Å; R109-F270 WeakPolarHBondContact CG-O 3.31Å; R109-F270 PolarHBondContact NE-O 3.04Å; R109-F270 VanDerWaalsContact NH2-CE2 3.32Å; L112-F270 HydrophobicContact CD2-CD1 4.44Å; L112-F270 HydrophobicContact CD2-CE1 4.46Å; Q243-F270 HydrophobicContact CB-CB 4.1Å; Q243-F270 HydrophobicContact CB-CD2 4.26Å; L244-F270 HydrophobicContact CB-CD2 3.83Å; L244-F270 HydrophobicContact CB-CE2 3.71Å; L244-F270 HydrophobicContact CB-CZ 4.31Å; L244-F270 HydrophobicContact CD1-CD1 4.25Å; L244-F270 HydrophobicContact CD1-CD2 4.46Å; L244-F270 HydrophobicContact CD1-CE1 3.96Å; L244-F270 HydrophobicContact CD1-CE2 4.17Å; L244-F270 HydrophobicContact CD1-CZ 3.93Å; L244-F270 HydrophobicContact CD2-CE2 4.21Å; L244-F270 HydrophobicContact CD2-CZ 4.14Å; L244-F270 HydrophobicContact CG-CE2 4.25Å; L244-F270 HydrophobicContact CG-CZ 4.36Å; L247-F270 HydrophobicContact CD2-CB 4.04Å; L247-F270 HydrophobicContact CD2-CD1 3.67Å; L247-F270 HydrophobicContact CD2-CG 4.12Å; H268-F270 WeakPolarHBondContact ND1-CB 3.44Å; H268-F270 PolarHBondContact ND1-N 3.45Å; H268-F270 PolarHBondContact O-N 3.4Å |
| 271 | L | 93.7 | Very high | 74.3 | Confident | 15 Ų | 15 | 86.5 Ų | 86.5 | 8% | 0.079 | 49% | 0.485 | C | S | . | . | G | 310 helix | trans | -86.4 | -14.3 | -178.7 | -55.5 | -170 | 0 | 0 | 0 | 113.6 | L112 Q113 A116 F265 H268 P269 | L112-L271 HydrophobicContact CB-CD2 4.1Å; L112-L271 HydrophobicContact CD2-CD2 3.7Å; L112-L271 HydrophobicContact CG-CD2 3.61Å; Q113-L271 WeakPolarHBondContact CG-O 3.38Å; Q113-L271 PolarHBondContact NE2-O 3.02Å; A116-L271 HydrophobicContact CB-CD1 3.96Å; F265-L271 HydrophobicContact CE2-CD1 4.31Å; F265-L271 WeakPolarHBondContact O-CD1 3.27Å; H268-L271 HydrophobicContact CB-CG 4.42Å; H268-L271 WeakPolarHBondContact O-CB 3.41Å; H268-L271 PolarHBondContact O-N 3.03Å; P269-L271 PolarHBondContact O-N 3.37Å |
| 272 | E | 87.4 | Confident | 71.7 | Confident | 133 Ų | 133 | 89.1 Ų | 89.1 | 62% | 0.621 | 51% | 0.506 | S | S | * | . | S | Bend | trans | -60.1 | 140.9 | 177.5 | -70.7 | -150.8 | 130 | 0 | 0 | 110.6 | P269 S274 | P269-E272 PolarHBondContact O-N 3Å; E272-S274 PolarHBondContact O-N 2.8Å |
| 273 | P | 72.8 | Confident | 68.9 | Low | 106 Ų | 106 | 94.8 Ų | 94.8 | 69% | 0.688 | 54% | 0.541 | S | S | * | . | trans | -64.5 | 109.6 | 174.6 | 27.7 | -33.1 | 0 | 0 | 0 | 108.2 | S275 | P273-S275 PolarHBondContact O-N 3.48Š| ||
| 274 | S | 61 | Low | 66.4 | Low | 88 Ų | 88 | 95.4 Ų | 95.4 | 62% | 0.615 | 55% | 0.55 | S | S | * | * | trans | -52.2 | 104.9 | -176.8 | 40.1 | 0 | 0 | 0 | 0 | 110.5 | E272 T276 | E272-S274 PolarHBondContact O-N 2.8Å; S274-T276 PolarHBondContact O-N 3.24Å | ||
| 275 | S | 46.2 | Very low | 63.6 | Low | 94 Ų | 94 | 98.3 Ų | 98.3 | 66% | 0.657 | 57% | 0.568 | S | S | * | * | trans | -56.7 | 125.7 | -170 | 65.6 | 0 | 0 | 0 | 0 | 109.8 | P273 I277 | P273-S275 PolarHBondContact O-N 3.48Å; S275-I277 PolarHBondContact O-N 3.41Å | ||
| 276 | T | 41.4 | Very low | 61.1 | Low | 138 Ų | 138 | 104.2 Ų | 104.2 | 85% | 0.847 | 61% | 0.606 | S | S | * | * | trans | -54.1 | 118.2 | -179.2 | 40 | 0 | 0 | 0 | 0 | 109.9 | S274 K278 | S274-T276 PolarHBondContact O-N 3.24Å; T276-K278 PolarHBondContact O-N 3.18Å; T276-K278 VanDerWaalsContact O-N 3.11Å | ||
| 277 | I | 41.7 | Very low | 58 | Low | 150 Ų | 150 | 110 Ų | 110 | 77% | 0.769 | 64% | 0.638 | S | S | * | * | trans | -9.9 | 100.8 | -179.5 | -58 | 169.1 | 0 | 0 | 0 | 112.4 | S275 K279 | S275-I277 PolarHBondContact O-N 3.41Å; I277-K279 PolarHBondContact O-N 3.33Å | ||
| 278 | K | 38.7 | Very low | 54.9 | Low | 188 Ų | 188 | 111.5 Ų | 111.5 | 82% | 0.817 | 64% | 0.644 | S | S | * | * | trans | -53.1 | 109.1 | 155.2 | -77 | -177.5 | 178.2 | 176 | 0 | 105.4 | T276 S280 | T276-K278 PolarHBondContact O-N 3.18Å; T276-K278 VanDerWaalsContact O-N 3.11Å; K278-S280 PolarHBondContact O-N 3.02Å | ||
| 279 | K | 40.3 | Very low | 51.8 | Low | 200 Ų | 200 | 114.9 Ų | 114.9 | 87% | 0.87 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -51.9 | 118.8 | 176.8 | -73.3 | -177.4 | 178.5 | 178.4 | 0 | 106.8 | I277 C281 | I277-K279 PolarHBondContact O-N 3.33Å; K279-C281 PolarHBondContact O-N 2.95Å |
| 280 | S | 33.3 | Very low | 48.6 | Very low | 106 Ų | 106 | 118.5 Ų | 118.5 | 74% | 0.741 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 134 | -177 | 34.2 | 0 | 0 | 0 | 0 | 109.5 | K278 | K278-S280 PolarHBondContact O-N 3.02Š|
| 281 | C | 35.8 | Very low | 45.7 | Very low | 111 Ų | 111 | 122.7 Ų | 122.7 | 75% | 0.75 | 72% | 0.723 | S | S | * | * | P | Polyproline II helix | trans | -57.4 | 137.6 | 161.6 | -61.3 | 0 | 0 | 0 | 0 | 107.7 | K279 V283 | K279-C281 PolarHBondContact O-N 2.95Å; C281-V283 PolarHBondContact O-N 3.23Å |
| 282 | P | 43.8 | Very low | 42.7 | Very low | 123 Ų | 123 | 128.6 Ų | 128.6 | 80% | 0.799 | 76% | 0.76 | S | S | * | * | P | Polyproline II helix | trans | -63.5 | 122.4 | 179.9 | 26 | -33.4 | 0 | 0 | 0 | 109.6 | ||
| 283 | V | 36.8 | Very low | 40 | Very low | 130 Ų | 130 | 127.6 Ų | 127.6 | 79% | 0.788 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -71.3 | 129.8 | 172.4 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | C281 V285 | C281-V283 PolarHBondContact O-N 3.23Å; V283-V285 PolarHBondContact O-N 3.1Å |
| 284 | P | 42.3 | Very low | 37.9 | Very low | 116 Ų | 116 | 131.7 Ų | 131.7 | 75% | 0.753 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -65.7 | 132.8 | 178.8 | -19.7 | 32.1 | 0 | 0 | 0 | 111.5 | ||
| 285 | V | 39 | Very low | 36.6 | Very low | 132 Ų | 132 | 130.7 Ų | 130.7 | 80% | 0.8 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 124.1 | 164 | -176.7 | 0 | 0 | 0 | 0 | 107.5 | V283 N287 | V283-V285 PolarHBondContact O-N 3.1Å; V285-N287 PolarHBondContact O-N 2.9Å |
| 286 | P | 46.6 | Very low | 36.9 | Very low | 124 Ų | 124 | 132.1 Ų | 132.1 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -73.3 | 124.7 | 175.2 | 29.7 | -32.5 | 0 | 0 | 0 | 109.5 | ||
| 287 | N | 30.5 | Very low | 36.4 | Very low | 138 Ų | 138 | 131.9 Ų | 131.9 | 74% | 0.738 | 79% | 0.786 | S | S | * | * | trans | -143.9 | 116.9 | 160.7 | -150.3 | 4.3 | 0 | 0 | 0 | 112.2 | V285 | V285-N287 PolarHBondContact O-N 2.9Š| ||
| 288 | I | 31.1 | Very low | 35.9 | Very low | 154 Ų | 154 | 127.9 Ų | 127.9 | 79% | 0.79 | 78% | 0.782 | S | S | * | * | trans | 14.7 | 121 | 151.1 | -58.1 | 171.7 | 0 | 0 | 0 | 116.7 | ||||
| 289 | A | 32.4 | Very low | 35.6 | Very low | 80 Ų | 80 | 124.3 Ų | 124.3 | 66% | 0.661 | 78% | 0.781 | S | S | * | * | trans | -71.6 | 144 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 290 | N | 30.5 | Very low | 35.5 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 86% | 0.861 | 78% | 0.776 | S | S | * | * | -167.9 | 167 | 115.9 | -96.9 | -21.9 | 0 | 0 | 0 | 113.1 | |||||
| 291 | A | 33.9 | Very low | 36.3 | Very low | 89 Ų | 89 | 120.3 Ų | 120.3 | 74% | 0.736 | 78% | 0.775 | S | S | * | * | trans | -29.1 | 154.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 292 | V | 30.3 | Very low | 36.2 | Very low | 140 Ų | 140 | 120 Ų | 120 | 85% | 0.848 | 78% | 0.775 | S | S | * | * | -150.8 | 160.8 | 62.8 | 159.4 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 293 | T | 31.2 | Very low | 35.7 | Very low | 112 Ų | 112 | 121.3 Ų | 121.3 | 69% | 0.687 | 77% | 0.773 | S | S | * | * | trans | -78.9 | 154.6 | -171.8 | 2.9 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 294 | E | 30.1 | Very low | 35.4 | Very low | 191 Ų | 191 | 123.8 Ų | 123.8 | 89% | 0.893 | 77% | 0.768 | S | S | * | * | trans | 64.7 | 157.5 | 155.9 | -61.2 | -177.2 | -149.7 | 0 | 0 | 118.6 | ||||
| 295 | G | 32.3 | Very low | 34.9 | Very low | 68 Ų | 68 | 126.4 Ų | 126.4 | 70% | 0.701 | 76% | 0.764 | S | S | * | * | cis | -152.5 | -168.6 | 7.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 296 | P | 52.5 | Low | 34.3 | Very low | 123 Ų | 123 | 124.3 Ų | 124.3 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | trans | -128.4 | -165.1 | -144 | 44.7 | -32.8 | 0 | 0 | 0 | 118.9 | ||||
| 297 | C | 30.6 | Very low | 33.4 | Very low | 133 Ų | 133 | 123.9 Ų | 123.9 | 90% | 0.899 | 76% | 0.755 | S | S | * | * | trans | 91.7 | 139.6 | 174.6 | -60.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 298 | G | 31 | Very low | 34.7 | Very low | 66 Ų | 66 | 123.2 Ų | 123.2 | 68% | 0.68 | 76% | 0.759 | S | S | * | * | cis | -167.5 | 173.6 | -5.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 299 | S | 33.2 | Very low | 35.6 | Very low | 114 Ų | 114 | 120.9 Ų | 120.9 | 80% | 0.797 | 75% | 0.753 | S | S | * | * | cis | -163.2 | 136 | 17.5 | -65 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 300 | S | 38.2 | Very low | 35.5 | Very low | 111 Ų | 111 | 121.6 Ų | 121.6 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | 77.3 | 161.9 | 127.2 | -52.4 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 301 | P | 50.1 | Low | 35.3 | Very low | 111 Ų | 111 | 121.8 Ų | 121.8 | 72% | 0.721 | 75% | 0.754 | S | S | * | * | -145.1 | 155 | -83.2 | 37.2 | -16 | 0 | 0 | 0 | 119.9 | |||||
| 302 | S | 33.9 | Very low | 36 | Very low | 105 Ų | 105 | 122.9 Ų | 122.9 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | 62.6 | 162.3 | 147 | -55.2 | 0 | 0 | 0 | 0 | 120 | ||||
| 303 | I | 32.4 | Very low | 35.9 | Very low | 150 Ų | 150 | 123 Ų | 123 | 77% | 0.769 | 75% | 0.749 | S | S | * | * | cis | -136.8 | 127.6 | 14 | -64.2 | 172.9 | 0 | 0 | 0 | 107.3 | ||||
| 304 | R | 31.7 | Very low | 35.6 | Very low | 181 Ų | 181 | 123.8 Ų | 123.8 | 68% | 0.683 | 75% | 0.747 | S | S | * | * | 65 | 146.1 | 75.4 | -53.1 | -147.2 | -69.2 | -165.8 | 0.8 | 115.3 | |||||
| 305 | Y | 30.3 | Very low | 35.4 | Very low | 171 Ų | 171 | 122.1 Ų | 122.1 | 67% | 0.671 | 74% | 0.739 | S | S | * | * | cis | -151.6 | 137.7 | 14.7 | -93.3 | -66.6 | 0 | 0 | 0 | 109.9 | ||||
| 306 | S | 27.6 | Very low | 35 | Very low | 89 Ų | 89 | 124 Ų | 124 | 62% | 0.622 | 74% | 0.737 | S | S | * | * | 61.3 | 119.2 | 89.6 | 81.5 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 307 | S | 28.4 | Very low | 33.6 | Very low | 114 Ų | 114 | 125.8 Ų | 125.8 | 80% | 0.797 | 74% | 0.739 | S | S | * | * | 78.1 | 163.6 | 78.1 | -50.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 308 | P | 56.1 | Low | 33.5 | Very low | 124 Ų | 124 | 124.7 Ų | 124.7 | 81% | 0.805 | 73% | 0.728 | S | S | * | * | cis | -121 | -121.6 | -15 | 33.9 | -10 | 0 | 0 | 0 | 111.1 | ||||
| 309 | P | 50.7 | Low | 33.4 | Very low | 105 Ų | 105 | 129.8 Ų | 129.8 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | cis | -135.9 | 163.7 | -41 | 38.6 | -19.7 | 0 | 0 | 0 | 118.9 | ||||
| 310 | S | 30 | Very low | 33 | Very low | 95 Ų | 95 | 131.8 Ų | 131.8 | 66% | 0.664 | 74% | 0.736 | S | S | * | * | trans | 50.7 | 124.3 | 139 | 67.6 | 0 | 0 | 0 | 0 | 128.5 | ||||
| 311 | L | 25.8 | Very low | 32.4 | Very low | 166 Ų | 166 | 128.8 Ų | 128.8 | 87% | 0.869 | 72% | 0.723 | S | S | * | * | trans | 65.8 | 174.2 | 136.7 | -60.9 | 173.3 | 0 | 0 | 0 | 119.9 | ||||
| 312 | P | 50.2 | Low | 31.3 | Very low | 111 Ų | 111 | 131.8 Ų | 131.8 | 72% | 0.721 | 73% | 0.732 | S | S | * | * | -136.3 | 179.8 | -68.4 | 42.6 | -26.7 | 0 | 0 | 0 | 116.3 | |||||
| 313 | D | 26.6 | Very low | 30.8 | Very low | 143 Ų | 143 | 131.9 Ų | 131.9 | 77% | 0.765 | 73% | 0.732 | S | S | * | * | trans | 81.4 | 164.6 | 151.7 | -139.7 | -13.4 | 0 | 0 | 0 | 121.4 | ||||
| 314 | M | 25.1 | Very low | 30.8 | Very low | 128 Ų | 128 | 130.4 Ų | 130.4 | 63% | 0.631 | 74% | 0.735 | S | S | * | * | trans | 78.2 | 119.5 | 159.9 | -72.5 | -72.2 | 105.6 | 0 | 0 | 124.2 | ||||
| 315 | Q | 26.1 | Very low | 31.4 | Very low | 156 Ų | 156 | 127.5 Ų | 127.5 | 73% | 0.729 | 74% | 0.74 | S | S | * | * | 64.4 | 123.3 | 128.5 | -82.1 | 177.6 | 5.3 | 0 | 0 | 125.7 | |||||
| 316 | T | 23.9 | Very low | 32.1 | Very low | 109 Ų | 109 | 124.4 Ų | 124.4 | 67% | 0.669 | 74% | 0.741 | S | S | * | * | trans | 33.7 | 131.5 | 134.2 | 54.4 | 0 | 0 | 0 | 0 | 124.2 | ||||
| 317 | L | 24.4 | Very low | 32.2 | Very low | 160 Ų | 160 | 128.6 Ų | 128.6 | 84% | 0.838 | 76% | 0.755 | S | S | * | * | trans | 67.6 | 155.5 | 145.7 | -64.3 | 168.5 | 0 | 0 | 0 | 117.2 | ||||
| 318 | V | 27.1 | Very low | 32.2 | Very low | 110 Ų | 110 | 126.5 Ų | 126.5 | 67% | 0.667 | 75% | 0.752 | S | S | * | * | cis | -161.8 | 171.9 | -34.6 | 108.1 | 0 | 0 | 0 | 0 | 107 | ||||
| 319 | E | 28.8 | Very low | 31.4 | Very low | 173 Ų | 173 | 126.6 Ų | 126.6 | 81% | 0.808 | 75% | 0.752 | S | S | * | * | trans | 70.4 | 154.7 | 169.8 | -97.6 | 162 | -163.7 | 0 | 0 | 116.1 | ||||
| 320 | D | 25.8 | Very low | 31 | Very low | 155 Ų | 155 | 127.5 Ų | 127.5 | 83% | 0.829 | 76% | 0.758 | S | S | * | * | cis | -152.6 | 167.7 | -1.7 | -162.6 | 6.5 | 0 | 0 | 0 | 111.9 | ||||
| 321 | G | 24.9 | Very low | 30.8 | Very low | 49 Ų | 49 | 131.1 Ų | 131.1 | 51% | 0.505 | 77% | 0.77 | S | S | . | * | trans | 107 | 123.2 | 137.5 | 0 | 0 | 0 | 0 | 0 | 121.3 | ||||
| 322 | L | 26.9 | Very low | 30.8 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 91% | 0.906 | 77% | 0.765 | S | S | * | * | trans | 69.5 | 145.1 | 144.6 | -45.4 | -179.7 | 0 | 0 | 0 | 119.1 | ||||
| 323 | S | 24.3 | Very low | 29.6 | Very low | 107 Ų | 107 | 133.4 Ų | 133.4 | 75% | 0.748 | 77% | 0.768 | S | S | * | * | cis | -164.8 | 144.6 | -17 | -96 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 324 | S | 32.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 133.2 Ų | 133.2 | 83% | 0.832 | 76% | 0.763 | S | S | * | * | trans | -88.9 | 161 | 170.4 | -53.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 325 | P | 44.1 | Very low | 29.4 | Very low | 120 Ų | 120 | 134.5 Ų | 134.5 | 78% | 0.779 | 77% | 0.771 | S | S | * | * | -154.7 | -168 | 107.5 | 39.6 | -21.5 | 0 | 0 | 0 | 114 | |||||
| 326 | P | 45.4 | Very low | 29.3 | Very low | 107 Ų | 107 | 132 Ų | 132 | 70% | 0.695 | 77% | 0.771 | S | S | * | * | -115.1 | 154.4 | -54.1 | 33.3 | -18.2 | 0 | 0 | 0 | 111.2 | |||||
| 327 | L | 29.7 | Very low | 29.5 | Very low | 176 Ų | 176 | 135.5 Ų | 135.5 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | 58 | 134.8 | 65.2 | -57.8 | 176.3 | 0 | 0 | 0 | 114.2 | |||||
| 328 | G | 27.5 | Very low | 29.6 | Very low | 70 Ų | 70 | 136 Ų | 136 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | cis | -172.8 | -146.1 | 1.5 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 329 | P | 39.6 | Very low | 29.5 | Very low | 126 Ų | 126 | 136 Ų | 136 | 82% | 0.818 | 78% | 0.78 | S | S | * | * | cis | -127.7 | 167.7 | -14.2 | 41.1 | -26.8 | 0 | 0 | 0 | 114.1 | ||||
| 330 | P | 42.9 | Very low | 29.3 | Very low | 124 Ų | 124 | 132.6 Ų | 132.6 | 81% | 0.805 | 78% | 0.781 | S | S | * | * | trans | -95.4 | 178.8 | 169 | 39 | -34.4 | 0 | 0 | 0 | 112.6 | ||||
| 331 | N | 25.1 | Very low | 29.2 | Very low | 171 Ų | 171 | 128.8 Ų | 128.8 | 91% | 0.914 | 78% | 0.779 | S | S | * | * | trans | -128.3 | 156.6 | 167.4 | -125.8 | -17 | 0 | 0 | 0 | 111.4 | ||||
| 332 | F | 25.6 | Very low | 29.2 | Very low | 173 Ų | 173 | 131.6 Ų | 131.6 | 76% | 0.759 | 79% | 0.791 | S | S | * | * | trans | -120.8 | -168.2 | -159.7 | -152.2 | -104.1 | 0 | 0 | 0 | 113 | ||||
| 333 | L | 25.7 | Very low | 29.2 | Very low | 152 Ų | 152 | 129.8 Ų | 129.8 | 80% | 0.796 | 79% | 0.787 | S | S | * | * | trans | 89.1 | 131.6 | 177.7 | -52 | 171.9 | 0 | 0 | 0 | 115.2 | ||||
| 334 | Q | 23.8 | Very low | 29.2 | Very low | 139 Ų | 139 | 130.8 Ų | 130.8 | 65% | 0.65 | 79% | 0.794 | S | S | * | * | cis | 123.6 | 137.7 | -3.5 | -176.3 | 166.7 | -0.6 | 0 | 0 | 112.6 | ||||
| 335 | L | 22.4 | Very low | 29 | Very low | 155 Ų | 155 | 130 Ų | 130 | 81% | 0.812 | 79% | 0.789 | S | S | * | * | trans | 71.4 | 153.2 | -179 | -61.3 | 144.6 | 0 | 0 | 0 | 114.3 | ||||
| 336 | S | 23.8 | Very low | 28.3 | Very low | 103 Ų | 103 | 134.3 Ų | 134.3 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | cis | -155.5 | -171.5 | -2.1 | -135.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 337 | K | 29.2 | Very low | 27.3 | Very low | 183 Ų | 183 | 134.8 Ų | 134.8 | 80% | 0.796 | 79% | 0.792 | S | S | * | * | trans | -50.2 | 160.2 | 157.7 | -70.2 | 176.4 | 173.2 | 178.5 | 0 | 111 | ||||
| 338 | E | 25.6 | Very low | 27.2 | Very low | 171 Ų | 171 | 132.4 Ų | 132.4 | 80% | 0.799 | 79% | 0.79 | S | S | * | * | cis | -171.4 | 162.3 | 46.7 | -147.8 | 158 | 126 | 0 | 0 | 114.4 | ||||
| 339 | S | 26.6 | Very low | 27.1 | Very low | 110 Ų | 110 | 134.1 Ų | 134.1 | 77% | 0.769 | 79% | 0.791 | S | S | * | * | trans | 54.4 | 135 | 152.7 | -140.2 | 0 | 0 | 0 | 0 | 125 | ||||
| 340 | A | 24.2 | Very low | 26.7 | Very low | 101 Ų | 101 | 133 Ų | 133 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | 56 | 132.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 341 | G | 24.3 | Very low | 26 | Very low | 75 Ų | 75 | 133 Ų | 133 | 77% | 0.773 | 78% | 0.778 | S | S | * | * | trans | 148.5 | 81.1 | 157.8 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 342 | S | 24.8 | Very low | 26.2 | Very low | 109 Ų | 109 | 130.5 Ų | 130.5 | 76% | 0.762 | 77% | 0.769 | S | S | * | * | trans | 28.1 | 127.6 | 149.4 | -60.1 | 0 | 0 | 0 | 0 | 123.7 | ||||
| 343 | T | 25.8 | Very low | 26.3 | Very low | 134 Ų | 134 | 128.7 Ų | 128.7 | 82% | 0.822 | 77% | 0.768 | S | S | * | * | trans | 64.2 | 116.1 | 138.8 | 58.2 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 344 | S | 25.1 | Very low | 26.6 | Very low | 129 Ų | 129 | 123 Ų | 123 | 90% | 0.902 | 74% | 0.738 | S | S | * | * | -168.8 | 159 | 108.8 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 345 | S | 28.2 | Very low | 26.9 | Very low | 102 Ų | 102 | 122.2 Ų | 122.2 | 71% | 0.713 | 73% | 0.732 | S | S | * | * | trans | -107.1 | 158.7 | -170.7 | 54.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 346 | K | 28.4 | Very low | 27.4 | Very low | 211 Ų | 211 | 115.9 Ų | 115.9 | 92% | 0.917 | 70% | 0.7 | S | S | * | * | trans | -151.7 | 132.2 | 153.9 | -109.4 | 160.9 | -172.4 | 171.8 | 0 | 109.7 | ||||
| 347 | N | 25.8 | Very low | 27.8 | Very low | 117 Ų | 117 | 114 Ų | 114 | 63% | 0.626 | 68% | 0.682 | S | S | * | * | trans | -101.6 | 151.4 | -172.8 | -57.9 | -0.7 | 0 | 0 | 0 | 110.8 | ||||
| 348 | S | 26.2 | Very low | 28.1 | Very low | 125 Ų | 125 | 107.7 Ų | 107.7 | 87% | 0.874 | 66% | 0.658 | S | S | * | * | trans | -141.8 | 93.4 | 164.9 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 349 | S | 26.8 | Very low | 28.1 | Very low | 106 Ų | 106 | 104.3 Ų | 104.3 | 74% | 0.741 | 65% | 0.651 | S | S | * | * | trans | -92.1 | 146.3 | 168.3 | 50.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 350 | C | 29.8 | Very low | 28.2 | Very low | 103 Ų | 103 | 106 Ų | 106 | 70% | 0.696 | 65% | 0.647 | S | S | * | * | trans | -115.7 | 131 | 179.7 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 351 | D | 29.6 | Very low | 28.3 | Very low | 124 Ų | 124 | 109 Ų | 109 | 66% | 0.663 | 65% | 0.647 | S | S | * | * | trans | -74 | 132.3 | -178.3 | -54 | -61.7 | 0 | 0 | 0 | 112.6 | ||||
| 352 | T | 29.5 | Very low | 28.4 | Very low | 119 Ų | 119 | 110.6 Ų | 110.6 | 73% | 0.73 | 65% | 0.646 | S | S | * | * | trans | -127.7 | 70.6 | 168.3 | 56.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 353 | D | 27.4 | Very low | 28.4 | Very low | 135 Ų | 135 | 112.1 Ų | 112.1 | 72% | 0.722 | 65% | 0.651 | S | S | * | * | trans | -163.3 | 120.3 | 155 | -99.4 | -35.9 | 0 | 0 | 0 | 110.1 | ||||
| 354 | D | 30.3 | Very low | 28.3 | Very low | 31 Ų | 31 | 112.2 Ų | 112.2 | 17% | 0.166 | 65% | 0.646 | C | S | . | * | trans | -169 | 110.2 | 172.6 | -101.8 | -38.1 | 0 | 0 | 0 | 106.4 | K55 T173 | K55-D354 IonicContact NZ-OD2 2.71Å; K55-D354 PolarHBondContact NZ-OD2 3.09Å; T173-D354 WeakPolarHBondContact CG2-O 3.34Å; T173-D354 PolarHBondContact OG1-O 3.13Å | ||
| 355 | F | 30.8 | Very low | 28.2 | Very low | 124 Ų | 124 | 111.4 Ų | 111.4 | 54% | 0.544 | 64% | 0.641 | S | S | . | * | trans | -130.9 | 121.4 | 172.9 | -74.1 | -85.2 | 0 | 0 | 0 | 109.8 | T173 | T173-F355 HydrophobicContact CG2-CD1 4.43Š| ||
| 356 | V | 33.2 | Very low | 28.1 | Very low | 21 Ų | 21 | 116.8 Ų | 116.8 | 13% | 0.127 | 65% | 0.647 | C | S | . | * | trans | -144.3 | 121.2 | -177.9 | 177.5 | 0 | 0 | 0 | 0 | 109.6 | F20 L52 F161 | F20-V356 HydrophobicContact CE1-CG1 4.29Å; F20-V356 HydrophobicContact CE2-CG1 3.57Å; F20-V356 HydrophobicContact CZ-CG1 3.3Å; L52-V356 HydrophobicContact CD1-CB 4.41Å; L52-V356 HydrophobicContact CD1-CG2 3.79Å; F161-V356 HydrophobicContact CE1-CB 4.33Å; F161-V356 HydrophobicContact CE1-CG1 4.24Å | ||
| 357 | L | 32.3 | Very low | 27.9 | Very low | 65 Ų | 65 | 114 Ų | 114 | 34% | 0.34 | 64% | 0.642 | S | S | . | * | trans | -121.4 | 145 | 175.1 | -173.3 | 60.6 | 0 | 0 | 0 | 109.5 | M983 | L357-M983 HydrophobicContact CD2-CE 3.72Å; L357-M983 HydrophobicContact CD2-SD 4.03Å | ||
| 358 | V | 34.7 | Very low | 27.9 | Very low | 50 Ų | 50 | 117.5 Ų | 117.5 | 30% | 0.303 | 66% | 0.655 | S | S | . | * | trans | -113.7 | 128.5 | -173.1 | 172.6 | 0 | 0 | 0 | 0 | 110.3 | A19 F20 F161 | A19-V358 HydrophobicContact CB-CG1 3.92Å; A19-V358 HydrophobicContact CB-CG2 4.2Å; F20-V358 HydrophobicContact CE2-CG2 3.56Å; F20-V358 HydrophobicContact CZ-CG2 3.99Å; F161-V358 HydrophobicContact CZ-CG2 4.23Å | ||
| 359 | P | 26.8 | Very low | 28.1 | Very low | 100 Ų | 100 | 117.2 Ų | 117.2 | 65% | 0.649 | 65% | 0.65 | S | S | * | * | P | Polyproline II helix | trans | -69.1 | 140.7 | 172.9 | -17.9 | 31.6 | 0 | 0 | 0 | 112.1 | ||
| 360 | H | 28.4 | Very low | 28 | Very low | 145 Ų | 145 | 119.5 Ų | 119.5 | 67% | 0.671 | 66% | 0.659 | S | S | * | * | P | Polyproline II helix | trans | -94.2 | 150.3 | 170.9 | -83.8 | -86.2 | 0 | 0 | 0 | 112.1 | ||
| 361 | I | 25.3 | Very low | 27.7 | Very low | 165 Ų | 165 | 118.2 Ų | 118.2 | 85% | 0.846 | 66% | 0.663 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 129.4 | 170.2 | 18.7 | 174.5 | 0 | 0 | 0 | 108.9 | ||
| 362 | S | 26.7 | Very low | 27.5 | Very low | 107 Ų | 107 | 117.6 Ų | 117.6 | 75% | 0.748 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 149.2 | -179.3 | -55.8 | 0 | 0 | 0 | 0 | 112.6 | ||
| 363 | T | 24.6 | Very low | 27.2 | Very low | 142 Ų | 142 | 115 Ų | 115 | 87% | 0.871 | 67% | 0.672 | S | S | * | * | trans | -107.8 | 113.7 | 163.4 | -58.2 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 364 | D | 25.2 | Very low | 27.1 | Very low | 135 Ų | 135 | 117.9 Ų | 117.9 | 72% | 0.722 | 68% | 0.681 | S | S | * | * | trans | -75.6 | 139.4 | -172.7 | -66.2 | -37.6 | 0 | 0 | 0 | 112.5 | ||||
| 365 | S | 22.9 | Very low | 26.7 | Very low | 113 Ų | 113 | 126.6 Ų | 126.6 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | -78.7 | 144.3 | 171.6 | -172.3 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 366 | Y | 26 | Very low | 26.7 | Very low | 215 Ų | 215 | 126.3 Ų | 126.3 | 84% | 0.843 | 72% | 0.722 | S | S | * | * | trans | -114.7 | 119.7 | 174.3 | -91.5 | -79.9 | 0 | 0 | 0 | 111 | ||||
| 367 | D | 23.7 | Very low | 26.2 | Very low | 153 Ų | 153 | 129.8 Ų | 129.8 | 82% | 0.818 | 75% | 0.747 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 148.3 | 171.2 | -75.6 | -52.7 | 0 | 0 | 0 | 112.5 | ||
| 368 | H | 24.8 | Very low | 25.9 | Very low | 190 Ų | 190 | 132.8 Ų | 132.8 | 88% | 0.88 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 128.2 | 172.9 | -80 | -72.1 | 0 | 0 | 0 | 111.9 | ||
| 369 | P | 30.4 | Very low | 25.3 | Very low | 119 Ų | 119 | 136.7 Ų | 136.7 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 151.1 | 159.1 | 34.2 | -31.8 | 0 | 0 | 0 | 111.6 | ||
| 370 | V | 25.3 | Very low | 25.1 | Very low | 154 Ų | 154 | 140.4 Ų | 140.4 | 93% | 0.933 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -82.7 | 139.6 | -179.9 | 176.6 | 0 | 0 | 0 | 0 | 111.5 | ||
| 371 | G | 24.5 | Very low | 25 | Very low | 76 Ų | 76 | 141.3 Ų | 141.3 | 78% | 0.784 | 80% | 0.798 | S | S | * | * | trans | -158.6 | 137.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 372 | A | 24.3 | Very low | 24.9 | Very low | 111 Ų | 111 | 141.5 Ų | 141.5 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -115.9 | 151.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 373 | G | 23.6 | Very low | 24.8 | Very low | 65 Ų | 65 | 142.8 Ų | 142.8 | 67% | 0.67 | 81% | 0.805 | S | S | * | * | trans | 158.5 | 109.3 | 166 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 374 | H | 24.9 | Very low | 24.7 | Very low | 194 Ų | 194 | 141.1 Ų | 141.1 | 90% | 0.898 | 81% | 0.805 | S | S | * | * | trans | 56.5 | 123.4 | 143.6 | -69.8 | -83.9 | 0 | 0 | 0 | 123.8 | ||||
| 375 | R | 22.8 | Very low | 24.7 | Very low | 214 Ų | 214 | 138.3 Ų | 138.3 | 81% | 0.808 | 81% | 0.809 | S | S | * | * | trans | -72.6 | 158.8 | 143.9 | -71 | -179.3 | 168.7 | -176.4 | -3.6 | 110.1 | ||||
| 376 | P | 30.2 | Very low | 24.9 | Very low | 119 Ų | 119 | 142 Ų | 142 | 77% | 0.773 | 81% | 0.814 | S | S | * | * | -107.4 | 168.2 | 69.1 | -7.6 | 29.5 | 0 | 0 | 0 | 112.8 | |||||
| 377 | S | 23.6 | Very low | 25 | Very low | 94 Ų | 94 | 138 Ų | 138 | 66% | 0.657 | 81% | 0.814 | S | S | * | * | cis | 66.5 | 138.8 | 48.2 | -36 | 0 | 0 | 0 | 0 | 113 | ||||
| 378 | N | 24.5 | Very low | 25 | Very low | 127 Ų | 127 | 139.2 Ų | 139.2 | 68% | 0.679 | 81% | 0.814 | S | S | * | * | cis | -156.9 | 172.3 | 2.5 | -143.7 | 45.7 | 0 | 0 | 0 | 110.3 | ||||
| 379 | D | 23.8 | Very low | 25.9 | Very low | 132 Ų | 132 | 134.5 Ų | 134.5 | 71% | 0.706 | 80% | 0.8 | S | S | * | * | trans | 63.8 | 166.1 | 155.4 | -61.5 | -40.3 | 0 | 0 | 0 | 120.1 | ||||
| 380 | F | 21.7 | Very low | 25.5 | Very low | 178 Ų | 178 | 134.9 Ų | 134.9 | 78% | 0.781 | 80% | 0.801 | S | S | * | * | cis | -176.1 | 120.1 | -39 | -170.5 | -84.2 | 0 | 0 | 0 | 106.6 | ||||
| 381 | L | 25.4 | Very low | 26.1 | Very low | 165 Ų | 165 | 133.5 Ų | 133.5 | 86% | 0.864 | 80% | 0.795 | S | S | * | * | trans | 176.5 | 155.3 | 147.6 | -102.2 | 166.3 | 0 | 0 | 0 | 113.7 | ||||
| 382 | M | 23.5 | Very low | 26.1 | Very low | 169 Ų | 169 | 133.7 Ų | 133.7 | 83% | 0.833 | 80% | 0.797 | S | S | * | * | trans | -99.7 | 151.7 | 175.8 | -74.9 | -96.1 | 177.7 | 0 | 0 | 111.2 | ||||
| 383 | C | 24.4 | Very low | 26.2 | Very low | 134 Ų | 134 | 137.5 Ų | 137.5 | 91% | 0.905 | 80% | 0.795 | S | S | * | * | -171.8 | 151.2 | 123.9 | -105 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 384 | A | 23.5 | Very low | 26.2 | Very low | 106 Ų | 106 | 140.4 Ų | 140.4 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | trans | -122.2 | 151.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 385 | G | 25.4 | Very low | 26.1 | Very low | 77 Ų | 77 | 139.1 Ų | 139.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | 173.3 | 112.1 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 386 | Q | 26.8 | Very low | 26.3 | Very low | 191 Ų | 191 | 137.1 Ų | 137.1 | 89% | 0.893 | 80% | 0.8 | S | S | * | * | trans | -93.2 | 159.8 | 152.8 | -69.8 | -166.3 | -53.2 | 0 | 0 | 109.1 | ||||
| 387 | P | 28.1 | Very low | 25.9 | Very low | 130 Ų | 130 | 140 Ų | 140 | 84% | 0.844 | 81% | 0.808 | S | S | * | * | -145.9 | -176 | 110.6 | 36.6 | -20.2 | 0 | 0 | 0 | 115.3 | |||||
| 388 | Q | 22.6 | Very low | 26 | Very low | 179 Ų | 179 | 140.4 Ų | 140.4 | 84% | 0.836 | 81% | 0.811 | S | S | * | * | trans | -149.7 | 172.9 | 177.1 | -106.8 | -155.6 | 6.6 | 0 | 0 | 108.3 | ||||
| 389 | P | 43.8 | Very low | 26.5 | Very low | 90 Ų | 90 | 139.7 Ų | 139.7 | 58% | 0.584 | 81% | 0.813 | S | S | * | * | cis | -142.1 | -176.3 | -25.6 | 38.1 | -19.3 | 0 | 0 | 0 | 115.2 | ||||
| 390 | T | 23.5 | Very low | 26.7 | Very low | 127 Ų | 127 | 143.8 Ų | 143.8 | 78% | 0.779 | 82% | 0.819 | S | S | * | * | trans | 66.1 | 163.4 | 153.9 | 48 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 391 | P | 36.9 | Very low | 26.9 | Very low | 126 Ų | 126 | 140 Ų | 140 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | cis | -136.8 | 163.2 | -38.9 | 37.6 | -21.8 | 0 | 0 | 0 | 114.7 | ||||
| 392 | G | 24.5 | Very low | 26.9 | Very low | 79 Ų | 79 | 140 Ų | 140 | 81% | 0.814 | 82% | 0.817 | S | S | * | * | trans | 177.8 | 150.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 393 | Q | 26.3 | Very low | 27.1 | Very low | 191 Ų | 191 | 138.5 Ų | 138.5 | 89% | 0.893 | 82% | 0.817 | S | S | * | * | trans | -61.8 | 142.9 | -163.6 | -70.2 | 169.7 | -19 | 0 | 0 | 120.6 | ||||
| 394 | T | 24.1 | Very low | 27.3 | Very low | 126 Ų | 126 | 138.1 Ų | 138.1 | 77% | 0.773 | 81% | 0.811 | S | S | * | * | trans | 44.9 | 120 | 130.5 | -43.5 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 395 | I | 23 | Very low | 27.6 | Very low | 168 Ų | 168 | 138.9 Ų | 138.9 | 86% | 0.862 | 81% | 0.807 | S | S | * | * | trans | -160.2 | 153 | 132.7 | -103.3 | 157.2 | 0 | 0 | 0 | 108.9 | ||||
| 396 | M | 25.7 | Very low | 28.1 | Very low | 171 Ų | 171 | 142.9 Ų | 142.9 | 84% | 0.842 | 81% | 0.808 | S | S | * | * | trans | -93.7 | 150.1 | 178.9 | -69.6 | -168.4 | 73.5 | 0 | 0 | 113.2 | ||||
| 397 | L | 23.4 | Very low | 28.3 | Very low | 179 Ų | 179 | 137.8 Ų | 137.8 | 94% | 0.937 | 79% | 0.792 | S | S | * | * | trans | -169.8 | 169.5 | 134.7 | -103.5 | 166.7 | 0 | 0 | 0 | 111.2 | ||||
| 398 | S | 25.8 | Very low | 28.7 | Very low | 104 Ų | 104 | 136.8 Ų | 136.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | trans | -136.8 | 155.9 | -177.1 | -162.8 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 399 | P | 34.9 | Very low | 29.3 | Very low | 111 Ų | 111 | 133.6 Ų | 133.6 | 72% | 0.721 | 78% | 0.778 | S | S | * | * | cis | -148.2 | 171.7 | 31.4 | 43.5 | -23.2 | 0 | 0 | 0 | 119.7 | ||||
| 400 | R | 28 | Very low | 29.1 | Very low | 218 Ų | 218 | 135.4 Ų | 135.4 | 82% | 0.823 | 79% | 0.787 | S | S | * | * | trans | 33.6 | 109.5 | 142.1 | -163.8 | -179.3 | -167.1 | 169.6 | 3.4 | 119.6 | ||||
| 401 | A | 24.5 | Very low | 30.2 | Very low | 100 Ų | 100 | 136 Ų | 136 | 83% | 0.826 | 78% | 0.781 | S | S | * | * | trans | -136.5 | 143 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 402 | E | 26.8 | Very low | 30.7 | Very low | 164 Ų | 164 | 132.8 Ų | 132.8 | 77% | 0.766 | 76% | 0.76 | S | S | * | * | trans | -100.2 | 136.1 | 177.3 | -65.7 | 177.2 | 142.5 | 0 | 0 | 110.3 | ||||
| 403 | T | 26.9 | Very low | 31.5 | Very low | 138 Ų | 138 | 138.7 Ų | 138.7 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | -118.8 | 105.1 | 172.4 | 55.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 404 | T | 29 | Very low | 32.4 | Very low | 125 Ų | 125 | 133.9 Ų | 133.9 | 77% | 0.767 | 74% | 0.737 | S | S | * | * | P | Polyproline II helix | trans | -86.9 | 136.5 | 177 | 41.7 | 0 | 0 | 0 | 0 | 111.7 | ||
| 405 | P | 29.9 | Very low | 33.4 | Very low | 123 Ų | 123 | 135 Ų | 135 | 80% | 0.799 | 73% | 0.729 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 140.5 | 169.2 | -20.1 | 33.2 | 0 | 0 | 0 | 111.9 | ||
| 406 | I | 35.4 | Very low | 34.4 | Very low | 160 Ų | 160 | 132.1 Ų | 132.1 | 82% | 0.821 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -80.9 | 129.2 | 178.1 | -60.3 | 173.1 | 0 | 0 | 0 | 109.7 | ||
| 407 | P | 30.6 | Very low | 35.5 | Very low | 85 Ų | 85 | 130.3 Ų | 130.3 | 55% | 0.552 | 70% | 0.695 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 143.4 | 177.2 | -19.2 | 32.6 | 0 | 0 | 0 | 113.4 | ||
| 408 | V | 36.4 | Very low | 36.9 | Very low | 108 Ų | 108 | 126.6 Ų | 126.6 | 66% | 0.655 | 68% | 0.675 | S | S | * | * | P | Polyproline II helix | trans | -70.2 | 141.4 | 173.4 | -176.3 | 0 | 0 | 0 | 0 | 110.1 | T410 Q411 | V408-T410 PolarHBondContact O-N 3.16Å; V408-Q411 PolarHBondContact O-N 3.17Å |
| 409 | P | 35.8 | Very low | 37.8 | Very low | 113 Ų | 113 | 128.2 Ų | 128.2 | 73% | 0.734 | 67% | 0.669 | S | S | * | * | G | 310 helix | trans | -59 | -19.5 | -165.7 | -30.5 | 37.6 | 0 | 0 | 0 | 117.8 | Q411 | P409-Q411 VanDerWaalsContact C-N 3.32Å; P409-Q411 PolarHBondContact O-N 3.35Å |
| 410 | T | 40.8 | Very low | 38.1 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 78% | 0.779 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -70.3 | -19 | -174.4 | 48 | 0 | 0 | 0 | 0 | 114.8 | V408 | V408-T410 PolarHBondContact O-N 3.16Š|
| 411 | Q | 46.2 | Very low | 39 | Very low | 139 Ų | 139 | 124.5 Ų | 124.5 | 65% | 0.65 | 66% | 0.655 | S | S | * | * | G | 310 helix | trans | -113.7 | -1.7 | -172.3 | -63.8 | -171.2 | -4.2 | 0 | 0 | 115.5 | V408 P409 R413 N414 Y415 | V408-Q411 PolarHBondContact O-N 3.17Å; P409-Q411 VanDerWaalsContact C-N 3.32Å; P409-Q411 PolarHBondContact O-N 3.35Å; Q411-R413 VanDerWaalsContact C-N 3.32Å; Q411-R413 PolarHBondContact O-N 2.97Å; Q411-N414 PolarHBondContact O-N 2.78Å; Q411-Y415 PolarHBondContact O-N 3Å; Q411-Y415 VanDerWaalsContact O-N 3.15Å |
| 412 | V | 46.2 | Very low | 39.9 | Very low | 60 Ų | 60 | 126.6 Ų | 126.6 | 36% | 0.364 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -54.4 | -43.9 | -173.5 | 179.6 | 0 | 0 | 0 | 0 | 112.7 | N414 Y415 Q416 | V412-N414 PolarHBondContact O-N 3.41Å; V412-Y415 PolarHBondContact O-N 2.95Å; V412-Q416 HydrophobicContact CG1-CG 4.42Å; V412-Q416 WeakPolarHBondContact O-CG 3.44Å; V412-Q416 PolarHBondContact O-N 3.36Å |
| 413 | R | 42.1 | Very low | 40.5 | Very low | 203 Ų | 203 | 123.4 Ų | 123.4 | 77% | 0.766 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.4 | -34.4 | -179.8 | -69.2 | -179.5 | 176.5 | 133.5 | -2.4 | 113.3 | Q411 R417 | Q411-R413 VanDerWaalsContact C-N 3.32Å; Q411-R413 PolarHBondContact O-N 2.97Å; R413-R417 WeakPolarHBondContact O-CB 3.37Å; R413-R417 PolarHBondContact O-N 3.06Å |
| 414 | N | 44.3 | Very low | 40.9 | Very low | 89 Ų | 89 | 121.2 Ų | 121.2 | 48% | 0.476 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -71.7 | -41.5 | 176 | -77.8 | -7 | 0 | 0 | 0 | 111 | Q411 V412 Q416 R417 I418 | Q411-N414 PolarHBondContact O-N 2.78Å; V412-N414 PolarHBondContact O-N 3.41Å; N414-Q416 VanDerWaalsContact C-N 3.34Å; N414-Q416 PolarHBondContact O-N 3.2Å; N414-R417 PolarHBondContact O-N 3.37Å; N414-R417 PolarHBondContact OD1-NH1 3.31Å; N414-I418 WeakPolarHBondContact O-CG1 3.43Å; N414-I418 PolarHBondContact O-N 3.24Å |
| 415 | Y | 45.1 | Very low | 40.9 | Very low | 150 Ų | 150 | 120.7 Ų | 120.7 | 59% | 0.588 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.4 | -39.1 | 175.8 | -169.3 | -113.9 | 0 | 0 | 0 | 112.4 | Q411 V412 I418 K419 | Q411-Y415 PolarHBondContact O-N 3Å; Q411-Y415 VanDerWaalsContact O-N 3.15Å; V412-Y415 PolarHBondContact O-N 2.95Å; Y415-I418 PolarHBondContact O-N 2.9Å; Y415-K419 PolarHBondContact O-N 3.36Å |
| 416 | Q | 44 | Very low | 41.4 | Very low | 107 Ų | 107 | 120.8 Ų | 120.8 | 50% | 0.5 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -63.1 | -46.3 | 173 | -74.4 | 169.6 | -25.6 | 0 | 0 | 112.3 | V412 N414 I418 K419 Q420 | V412-Q416 HydrophobicContact CG1-CG 4.42Å; V412-Q416 WeakPolarHBondContact O-CG 3.44Å; V412-Q416 PolarHBondContact O-N 3.36Å; N414-Q416 VanDerWaalsContact C-N 3.34Å; N414-Q416 PolarHBondContact O-N 3.2Å; Q416-I418 VanDerWaalsContact C-N 3.33Å; Q416-I418 PolarHBondContact O-N 3.49Å; Q416-K419 WeakPolarHBondContact O-CB 3.47Å; Q416-K419 PolarHBondContact O-N 3.17Å; Q416-K419 VanDerWaalsContact O-N 3.17Å; Q416-Q420 PolarHBondContact O-N 2.93Å |
| 417 | R | 49.1 | Very low | 41.1 | Very low | 133 Ų | 133 | 118.8 Ų | 118.8 | 50% | 0.502 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -61.8 | -39.4 | 177.5 | -161 | -172.9 | -60.4 | 110.8 | -2.1 | 112.2 | R413 N414 Q420 N421 | R413-R417 WeakPolarHBondContact O-CB 3.37Å; R413-R417 PolarHBondContact O-N 3.06Å; N414-R417 PolarHBondContact O-N 3.37Å; N414-R417 PolarHBondContact OD1-NH1 3.31Å; R417-Q420 PolarHBondContact O-N 3.1Å; R417-N421 PolarHBondContact O-N 2.73Å; R417-N421 VanDerWaalsContact O-N 3.08Å |
| 418 | I | 54.4 | Low | 41.3 | Very low | 101 Ų | 101 | 119.7 Ų | 119.7 | 52% | 0.518 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -65.1 | -41.8 | 174.6 | -69.2 | 165.5 | 0 | 0 | 0 | 111 | N414 Y415 Q416 Q420 N421 L422 | N414-I418 WeakPolarHBondContact O-CG1 3.43Å; N414-I418 PolarHBondContact O-N 3.24Å; Y415-I418 PolarHBondContact O-N 2.9Å; Q416-I418 VanDerWaalsContact C-N 3.33Å; Q416-I418 PolarHBondContact O-N 3.49Å; I418-Q420 PolarHBondContact O-N 3.46Å; I418-N421 PolarHBondContact O-N 3.23Å; I418-L422 HydrophobicContact CG2-CD1 3.92Å; I418-L422 WeakPolarHBondContact O-CG 3.46Å; I418-L422 PolarHBondContact O-N 3.03Å |
| 419 | K | 44.4 | Very low | 40.9 | Very low | 139 Ų | 139 | 120.7 Ų | 120.7 | 60% | 0.604 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -60.6 | -43.5 | 174.8 | -106.7 | -167.5 | 172.8 | -167.7 | 0 | 112.6 | Y415 Q416 L422 | Y415-K419 PolarHBondContact O-N 3.36Å; Q416-K419 WeakPolarHBondContact O-CB 3.47Å; Q416-K419 PolarHBondContact O-N 3.17Å; Q416-K419 VanDerWaalsContact O-N 3.17Å; K419-L422 PolarHBondContact O-N 2.97Å |
| 420 | Q | 40.8 | Very low | 40.6 | Very low | 129 Ų | 129 | 121.5 Ų | 121.5 | 60% | 0.603 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -63.4 | -47 | 178.6 | -73.4 | 173.6 | -37.9 | 0 | 0 | 111.5 | Q416 R417 I418 L422 S423 | Q416-Q420 PolarHBondContact O-N 2.93Å; R417-Q420 PolarHBondContact O-N 3.1Å; I418-Q420 PolarHBondContact O-N 3.46Å; Q420-L422 PolarHBondContact O-N 3.41Å; Q420-L422 VanDerWaalsContact O-N 3.17Å; Q420-S423 PolarHBondContact O-N 3.16Å; Q420-S423 PolarHBondContact O-OG 3.23Å |
| 421 | N | 45.5 | Very low | 39.9 | Very low | 121 Ų | 121 | 125.4 Ų | 125.4 | 65% | 0.647 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -68.5 | -12.1 | 180 | -70.2 | -2.5 | 0 | 0 | 0 | 114.6 | R417 I418 | R417-N421 PolarHBondContact O-N 2.73Å; R417-N421 VanDerWaalsContact O-N 3.08Å; I418-N421 PolarHBondContact O-N 3.23Å |
| 422 | L | 43.6 | Very low | 38.9 | Very low | 144 Ų | 144 | 124.5 Ų | 124.5 | 75% | 0.754 | 66% | 0.661 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.7 | -4.2 | 172.9 | -73.7 | 166.9 | 0 | 0 | 0 | 113.4 | I418 K419 Q420 | I418-L422 HydrophobicContact CG2-CD1 3.92Å; I418-L422 WeakPolarHBondContact O-CG 3.46Å; I418-L422 PolarHBondContact O-N 3.03Å; K419-L422 PolarHBondContact O-N 2.97Å; Q420-L422 PolarHBondContact O-N 3.41Å; Q420-L422 VanDerWaalsContact O-N 3.17Å |
| 423 | S | 40.9 | Very low | 38 | Very low | 98 Ų | 98 | 126.8 Ų | 126.8 | 69% | 0.685 | 68% | 0.68 | S | S | * | * | S | Bend | trans | -105.8 | 7.4 | -174.2 | 60.8 | 0 | 0 | 0 | 0 | 115.1 | Q420 | Q420-S423 PolarHBondContact O-N 3.16Å; Q420-S423 PolarHBondContact O-OG 3.23Å |
| 424 | S | 33.5 | Very low | 38.2 | Very low | 91 Ų | 91 | 121.9 Ų | 121.9 | 64% | 0.636 | 68% | 0.675 | S | S | * | * | trans | -133.7 | 78.3 | -170 | 45.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 425 | S | 30.3 | Very low | 37.5 | Very low | 114 Ų | 114 | 128.9 Ų | 128.9 | 80% | 0.797 | 69% | 0.694 | S | S | * | * | trans | -150.5 | 136.1 | 157.5 | -168 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 426 | P | 40.8 | Very low | 36.8 | Very low | 126 Ų | 126 | 127.6 Ų | 127.6 | 82% | 0.818 | 71% | 0.707 | S | S | * | * | trans | -97.1 | 158.2 | -165.1 | 37.1 | -36.4 | 0 | 0 | 0 | 115.3 | ||||
| 427 | S | 28.7 | Very low | 36 | Very low | 117 Ų | 117 | 125.9 Ų | 125.9 | 82% | 0.818 | 72% | 0.718 | S | S | * | * | trans | -144 | 155.9 | 161.9 | 55.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 428 | P | 35.3 | Very low | 35 | Very low | 105 Ų | 105 | 126.1 Ų | 126.1 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | trans | -114.6 | 173 | -146 | 42.2 | -35.9 | 0 | 0 | 0 | 116.7 | ||||
| 429 | T | 28 | Very low | 33.8 | Very low | 128 Ų | 128 | 128.5 Ų | 128.5 | 79% | 0.785 | 75% | 0.753 | S | S | * | * | trans | 68.1 | 146.2 | 160.8 | 51.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 430 | L | 28.3 | Very low | 33.1 | Very low | 130 Ų | 130 | 130.7 Ų | 130.7 | 68% | 0.681 | 76% | 0.758 | S | S | * | * | cis | -157.3 | 168.8 | 1.9 | -120.4 | 174.3 | 0 | 0 | 0 | 112.2 | ||||
| 431 | Y | 27.1 | Very low | 32.6 | Very low | 209 Ų | 209 | 134 Ų | 134 | 82% | 0.82 | 77% | 0.765 | S | S | * | * | trans | 46.6 | 115.9 | 162.5 | -70.1 | -62.3 | 0 | 0 | 0 | 122.4 | ||||
| 432 | S | 24.3 | Very low | 31.8 | Very low | 120 Ų | 120 | 132.8 Ų | 132.8 | 84% | 0.839 | 77% | 0.766 | S | S | * | * | 173 | 162.3 | 103.7 | -164.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 433 | S | 27 | Very low | 31 | Very low | 109 Ų | 109 | 133.1 Ų | 133.1 | 76% | 0.762 | 77% | 0.768 | S | S | * | * | trans | -170.5 | 171.8 | 178.5 | -132.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 434 | P | 47.5 | Very low | 30.6 | Very low | 100 Ų | 100 | 134.1 Ų | 134.1 | 65% | 0.649 | 77% | 0.771 | S | S | * | * | cis | -140.6 | -173.6 | 2 | 44.4 | -27.1 | 0 | 0 | 0 | 116.1 | ||||
| 435 | R | 29 | Very low | 30.6 | Very low | 236 Ų | 236 | 135.2 Ų | 135.2 | 89% | 0.891 | 78% | 0.778 | S | S | * | * | trans | 70.2 | 158.2 | 163.8 | -64.1 | 177.1 | 177.3 | 176.2 | -1.2 | 115.6 | ||||
| 436 | S | 30.2 | Very low | 31.7 | Very low | 123 Ų | 123 | 135.1 Ų | 135.1 | 86% | 0.86 | 78% | 0.775 | S | S | * | * | cis | -149.5 | 170.1 | 11.8 | -156.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 437 | G | 27.6 | Very low | 31.1 | Very low | 71 Ų | 71 | 137.8 Ų | 137.8 | 73% | 0.732 | 78% | 0.778 | S | S | * | * | trans | 122.7 | 110.1 | 158.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 438 | T | 28.5 | Very low | 31 | Very low | 137 Ų | 137 | 134.7 Ų | 134.7 | 84% | 0.84 | 77% | 0.765 | S | S | * | * | trans | -124.6 | 127.4 | 172.8 | -56.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 439 | V | 28.5 | Very low | 30.9 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 92% | 0.915 | 78% | 0.778 | S | S | * | * | trans | -131.8 | 154.6 | 169.3 | -178.9 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 440 | R | 28.9 | Very low | 31.4 | Very low | 186 Ų | 186 | 139.3 Ų | 139.3 | 70% | 0.702 | 78% | 0.776 | S | S | * | * | trans | -134.1 | 133.5 | -159.3 | -118.6 | -170 | 176.5 | -172 | 2.6 | 112.7 | ||||
| 441 | R | 30.5 | Very low | 31.4 | Very low | 199 Ų | 199 | 142.1 Ų | 142.1 | 75% | 0.751 | 78% | 0.783 | S | S | * | * | trans | 63.7 | 171.6 | 153.9 | -52.6 | 176.1 | 171 | -175.1 | -7 | 114.4 | ||||
| 442 | S | 29.8 | Very low | 31.3 | Very low | 95 Ų | 95 | 138.5 Ų | 138.5 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | cis | -145.9 | 163.3 | 9.3 | -47.3 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 443 | N | 26.8 | Very low | 31.3 | Very low | 151 Ų | 151 | 136.3 Ų | 136.3 | 81% | 0.807 | 78% | 0.779 | S | S | * | * | trans | 172.8 | 91.3 | 141.5 | -88.7 | -4.1 | 0 | 0 | 0 | 108.3 | ||||
| 444 | T | 31.2 | Very low | 31.5 | Very low | 119 Ų | 119 | 137.3 Ų | 137.3 | 73% | 0.73 | 79% | 0.785 | S | S | * | * | 82 | 97.7 | 82.3 | 56.1 | 0 | 0 | 0 | 0 | 115 | |||||
| 445 | S | 34.6 | Very low | 30.7 | Very low | 114 Ų | 114 | 136.2 Ų | 136.2 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -95 | -162.9 | 150.1 | -39.3 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 446 | P | 52.7 | Low | 30.8 | Very low | 111 Ų | 111 | 130.7 Ų | 130.7 | 72% | 0.721 | 79% | 0.789 | S | S | * | * | cis | -139.7 | -160 | -2.1 | 33.7 | -8.2 | 0 | 0 | 0 | 114.3 | ||||
| 447 | M | 27.6 | Very low | 30.9 | Very low | 182 Ų | 182 | 131 Ų | 131 | 90% | 0.897 | 79% | 0.788 | S | S | * | * | trans | 71.7 | 158.4 | 165.8 | -54.8 | -173.3 | 79.8 | 0 | 0 | 117.3 | ||||
| 448 | G | 27 | Very low | 31.2 | Very low | 53 Ų | 53 | 133.3 Ų | 133.3 | 55% | 0.546 | 79% | 0.793 | S | S | . | * | cis | 150.9 | 90.6 | -13.6 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 449 | F | 33.3 | Very low | 31.4 | Very low | 214 Ų | 214 | 132.5 Ų | 132.5 | 94% | 0.939 | 79% | 0.792 | S | S | * | * | trans | 65.6 | 163 | 176 | -62.4 | -75.4 | 0 | 0 | 0 | 115.8 | ||||
| 450 | P | 39.9 | Very low | 31.3 | Very low | 115 Ų | 115 | 130 Ų | 130 | 75% | 0.747 | 79% | 0.788 | S | S | * | * | cis | -128.8 | -160.4 | 5.9 | 40.1 | -21.4 | 0 | 0 | 0 | 114.5 | ||||
| 451 | K | 26.9 | Very low | 31.5 | Very low | 190 Ų | 190 | 127.8 Ų | 127.8 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | 97.2 | 103.7 | 146.2 | -139 | 173.5 | -173.4 | -178.4 | 0 | 119.6 | ||||
| 452 | V | 24.5 | Very low | 31.5 | Very low | 132 Ų | 132 | 124.8 Ų | 124.8 | 80% | 0.8 | 79% | 0.794 | S | S | * | * | trans | 38.2 | 117.1 | 131.2 | -174.3 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 453 | G | 25.3 | Very low | 32 | Very low | 75 Ų | 75 | 125.3 Ų | 125.3 | 77% | 0.773 | 80% | 0.795 | S | S | * | * | 73.6 | 124.3 | 117.2 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 454 | S | 32.3 | Very low | 32.1 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 90% | 0.902 | 79% | 0.794 | S | S | * | * | trans | -81.7 | 139.1 | 166.7 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 455 | G | 30.1 | Very low | 31.8 | Very low | 77 Ų | 77 | 126.4 Ų | 126.4 | 79% | 0.794 | 80% | 0.795 | S | S | * | * | trans | 169.2 | 132.1 | 166.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 456 | C | 30.1 | Very low | 31.6 | Very low | 121 Ų | 121 | 125.9 Ų | 125.9 | 82% | 0.818 | 80% | 0.798 | S | S | * | * | trans | -68 | 159.2 | -179.6 | -60.3 | 0 | 0 | 0 | 0 | 114 | ||||
| 457 | P | 32.1 | Very low | 30.4 | Very low | 129 Ų | 129 | 124 Ų | 124 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | trans | -79.1 | 141.7 | 149.5 | 34.4 | -30.9 | 0 | 0 | 0 | 110.7 | ||||
| 458 | S | 34.3 | Very low | 30.5 | Very low | 120 Ų | 120 | 127.2 Ų | 127.2 | 84% | 0.839 | 80% | 0.801 | S | S | * | * | trans | -148.4 | 137.7 | 164.5 | 55.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 459 | S | 33.1 | Very low | 30.5 | Very low | 119 Ų | 119 | 134.3 Ų | 134.3 | 83% | 0.832 | 81% | 0.811 | S | S | * | * | trans | -119.9 | 103.5 | -174 | 54.7 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 460 | A | 26.8 | Very low | 30.2 | Very low | 100 Ų | 100 | 130.6 Ų | 130.6 | 83% | 0.826 | 80% | 0.8 | S | S | * | * | trans | -156.5 | 63.7 | 166 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 461 | D | 33 | Very low | 29.4 | Very low | 139 Ų | 139 | 129.8 Ų | 129.8 | 74% | 0.743 | 80% | 0.797 | S | S | * | * | trans | 38.8 | 107 | 153 | -58.3 | -10.7 | 0 | 0 | 0 | 122.6 | ||||
| 462 | T | 29.2 | Very low | 29.7 | Very low | 136 Ų | 136 | 127.3 Ų | 127.3 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | 64.3 | 159.2 | 136 | 48 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 463 | P | 40.8 | Very low | 29.7 | Very low | 106 Ų | 106 | 124.9 Ų | 124.9 | 69% | 0.688 | 80% | 0.8 | S | S | * | * | cis | -133.5 | -179.4 | -18.1 | 35.6 | -16.5 | 0 | 0 | 0 | 115.9 | ||||
| 464 | Q | 28.6 | Very low | 29.9 | Very low | 169 Ų | 169 | 127.1 Ų | 127.1 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | 77.8 | 115.5 | 148.6 | -83.3 | -178.1 | 13.4 | 0 | 0 | 124.1 | ||||
| 465 | T | 26.6 | Very low | 29.6 | Very low | 123 Ų | 123 | 126.6 Ų | 126.6 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | trans | 74.2 | 124.6 | 133.2 | 52.2 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 466 | A | 29.3 | Very low | 29.7 | Very low | 104 Ų | 104 | 134.1 Ų | 134.1 | 86% | 0.86 | 81% | 0.805 | S | S | * | * | trans | 55.5 | 117.3 | 136.4 | 0 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 467 | G | 27.1 | Very low | 30.6 | Very low | 70 Ų | 70 | 133.2 Ų | 133.2 | 72% | 0.722 | 80% | 0.797 | S | S | * | * | cis | 110.5 | 164.4 | 40.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 468 | R | 31 | Very low | 30.1 | Very low | 250 Ų | 250 | 137.8 Ų | 137.8 | 94% | 0.943 | 80% | 0.799 | S | S | * | * | trans | 76.8 | 165.3 | 172.3 | -59.3 | -178.1 | -180 | -163.6 | 1.5 | 118.2 | ||||
| 469 | R | 26.6 | Very low | 30.1 | Very low | 203 Ų | 203 | 136.8 Ų | 136.8 | 77% | 0.766 | 79% | 0.792 | S | S | * | * | cis | 176.5 | 151.5 | -39.4 | -151.8 | -171.1 | -166.9 | -129.9 | 8.5 | 108.4 | ||||
| 470 | L | 27 | Very low | 30 | Very low | 136 Ų | 136 | 137.1 Ų | 137.1 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | 65.9 | 170.8 | 164.6 | -50.5 | -177.1 | 0 | 0 | 0 | 115.3 | ||||
| 471 | S | 23.7 | Very low | 30.1 | Very low | 97 Ų | 97 | 137.7 Ų | 137.7 | 68% | 0.678 | 79% | 0.79 | S | S | * | * | cis | -154.9 | 173.8 | -17.1 | -126.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 472 | T | 32 | Very low | 31.1 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 85% | 0.853 | 79% | 0.789 | S | S | * | * | trans | -41.7 | 141 | 156.8 | 51.3 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 473 | G | 25 | Very low | 31.1 | Very low | 81 Ų | 81 | 137.6 Ų | 137.6 | 84% | 0.835 | 79% | 0.789 | S | S | * | * | trans | -146 | 139.6 | 165.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 474 | S | 29.4 | Very low | 30.5 | Very low | 121 Ų | 121 | 139 Ų | 139 | 85% | 0.846 | 80% | 0.796 | S | S | * | * | trans | -135.4 | 167 | -174.8 | -175.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 475 | S | 26.9 | Very low | 30.4 | Very low | 119 Ų | 119 | 134 Ų | 134 | 83% | 0.832 | 79% | 0.789 | S | S | * | * | trans | 84 | 170 | 169.3 | 81.2 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 476 | R | 31.9 | Very low | 30.4 | Very low | 235 Ų | 235 | 135.1 Ų | 135.1 | 89% | 0.887 | 80% | 0.796 | S | S | * | * | trans | -109.3 | -159.8 | -163 | -39.9 | 172.3 | 177.1 | 171.9 | -3.8 | 109.4 | ||||
| 477 | P | 49.3 | Very low | 30.4 | Very low | 102 Ų | 102 | 137.2 Ų | 137.2 | 66% | 0.662 | 79% | 0.791 | S | S | * | * | cis | -131.6 | 178 | -22.7 | 31 | -10.5 | 0 | 0 | 0 | 113.5 | ||||
| 478 | Y | 21.7 | Very low | 31.2 | Very low | 224 Ų | 224 | 139.6 Ų | 139.6 | 88% | 0.878 | 79% | 0.794 | S | S | * | * | 159.3 | 157.1 | 128.4 | -103.8 | -86.8 | 0 | 0 | 0 | 113.2 | |||||
| 479 | S | 33.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 134.3 Ų | 134.3 | 69% | 0.692 | 78% | 0.78 | S | S | * | * | trans | -97.3 | 161.2 | 166.3 | 53.2 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 480 | P | 31.5 | Very low | 31.3 | Very low | 126 Ų | 126 | 131.7 Ų | 131.7 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | -154.9 | -177.1 | 98.5 | 42 | -23.9 | 0 | 0 | 0 | 116.4 | |||||
| 481 | S | 28.3 | Very low | 31.3 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 79% | 0.79 | 78% | 0.776 | S | S | * | * | trans | -121.6 | -175.3 | 158.6 | -43.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 482 | P | 53 | Low | 31.5 | Very low | 112 Ų | 112 | 129.8 Ų | 129.8 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | cis | -138.1 | -155.7 | -3.2 | 34.3 | -9.2 | 0 | 0 | 0 | 114 | ||||
| 483 | L | 29.1 | Very low | 31.2 | Very low | 160 Ų | 160 | 131.1 Ų | 131.1 | 84% | 0.838 | 77% | 0.769 | S | S | * | * | trans | 71.6 | 161.4 | 169.8 | -96.7 | 71.2 | 0 | 0 | 0 | 116.6 | ||||
| 484 | V | 28.9 | Very low | 31.2 | Very low | 136 Ų | 136 | 132.5 Ų | 132.5 | 82% | 0.824 | 77% | 0.765 | S | S | * | * | cis | -161.7 | 169.1 | -19.4 | 80.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 485 | G | 26.8 | Very low | 31 | Very low | 63 Ų | 63 | 132 Ų | 132 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | cis | -155.1 | -144 | 2.4 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 486 | T | 27.2 | Very low | 30.8 | Very low | 147 Ų | 147 | 131.7 Ų | 131.7 | 90% | 0.902 | 76% | 0.757 | S | S | * | * | cis | -150.6 | 169.1 | -4.4 | 9.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 487 | I | 29.3 | Very low | 30.4 | Very low | 148 Ų | 148 | 129 Ų | 129 | 76% | 0.759 | 75% | 0.754 | S | S | * | * | trans | -99.1 | 151 | -167.3 | -78 | 164.4 | 0 | 0 | 0 | 110.9 | E489 | I487-E489 HydrophobicContact CG2-CG 3.92Š| ||
| 488 | P | 41.8 | Very low | 29.2 | Very low | 120 Ų | 120 | 130.9 Ų | 130.9 | 78% | 0.779 | 76% | 0.758 | S | S | * | * | -152 | 168.3 | 79.8 | 33.7 | -9.7 | 0 | 0 | 0 | 118.5 | |||||
| 489 | E | 31.8 | Very low | 29.3 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 65% | 0.654 | 76% | 0.755 | S | S | * | * | cis | -166 | 153.6 | -20 | -108.6 | -167.3 | 126 | 0 | 0 | 113.3 | I487 | I487-E489 HydrophobicContact CG2-CG 3.92Š| ||
| 490 | Q | 28.7 | Very low | 28.8 | Very low | 148 Ų | 148 | 130.5 Ų | 130.5 | 69% | 0.692 | 76% | 0.758 | S | S | * | * | trans | 57.7 | 156.1 | 143.7 | -65.8 | -168 | 22.4 | 0 | 0 | 122.3 | ||||
| 491 | L | 27 | Very low | 28.5 | Very low | 132 Ų | 132 | 132.7 Ų | 132.7 | 69% | 0.691 | 76% | 0.757 | S | S | * | * | cis | -157.3 | 142.3 | 0.4 | -131.5 | 175.1 | 0 | 0 | 0 | 113.9 | ||||
| 492 | G | 27.5 | Very low | 28.6 | Very low | 61 Ų | 61 | 135.9 Ų | 135.9 | 63% | 0.629 | 76% | 0.759 | S | S | * | * | trans | 77.7 | 147.5 | 145.6 | 0 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 493 | H | 26.7 | Very low | 27.7 | Very low | 167 Ų | 167 | 135.9 Ų | 135.9 | 77% | 0.773 | 76% | 0.759 | S | S | * | * | cis | -157.6 | 151.9 | -9.1 | -93.7 | -66.2 | 0 | 0 | 0 | 112.5 | ||||
| 494 | C | 24.7 | Very low | 27.6 | Very low | 110 Ų | 110 | 139.4 Ų | 139.4 | 74% | 0.743 | 76% | 0.761 | S | S | * | * | trans | 13.4 | 159.9 | 145.4 | -51.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 495 | C | 24.3 | Very low | 27.5 | Very low | 109 Ų | 109 | 137.6 Ų | 137.6 | 74% | 0.736 | 76% | 0.755 | S | S | * | * | cis | -172.4 | 145.9 | -21.1 | -100 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 496 | C | 24.3 | Very low | 27.6 | Very low | 114 Ų | 114 | 145.4 Ų | 145.4 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | trans | 31.6 | 109.8 | 143.4 | -48.9 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 497 | H | 23.3 | Very low | 27.6 | Very low | 178 Ų | 178 | 143.5 Ų | 143.5 | 82% | 0.824 | 76% | 0.758 | S | S | * | * | -170.5 | 151.4 | 125.9 | -105.5 | 15.1 | 0 | 0 | 0 | 109.8 | |||||
| 498 | L | 23.1 | Very low | 27.6 | Very low | 141 Ų | 141 | 141.3 Ų | 141.3 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | cis | 96.7 | 136.4 | 26.6 | -127.5 | 178.9 | 0 | 0 | 0 | 114.3 | ||||
| 499 | Q | 24.7 | Very low | 27 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 82% | 0.822 | 75% | 0.754 | S | S | * | * | trans | 74.2 | 139.7 | -172.9 | -54.3 | -178.1 | -3.9 | 0 | 0 | 114.7 | ||||
| 500 | N | 23.6 | Very low | 26.8 | Very low | 140 Ų | 140 | 138.2 Ų | 138.2 | 75% | 0.749 | 77% | 0.766 | S | S | * | * | cis | 93.9 | 139 | 17.8 | -161 | 20.1 | 0 | 0 | 0 | 115.7 | ||||
| 501 | Q | 24.2 | Very low | 26.8 | Very low | 171 Ų | 171 | 135 Ų | 135 | 80% | 0.799 | 77% | 0.772 | S | S | * | * | trans | 76.8 | 134.9 | 176.4 | -51.9 | -171.1 | 2.5 | 0 | 0 | 119.1 | ||||
| 502 | E | 30.1 | Very low | 27 | Very low | 181 Ų | 181 | 134.1 Ų | 134.1 | 85% | 0.846 | 78% | 0.777 | S | S | * | * | trans | -72.1 | 156.7 | 149.4 | -57.4 | -175.1 | 106.9 | 0 | 0 | 109.4 | ||||
| 503 | P | 34.8 | Very low | 27.7 | Very low | 112 Ų | 112 | 137 Ų | 137 | 73% | 0.727 | 78% | 0.784 | S | S | * | * | -153.5 | 158 | 97.8 | 38.9 | -21.8 | 0 | 0 | 0 | 117.1 | |||||
| 504 | R | 26.5 | Very low | 28 | Very low | 233 Ų | 233 | 135 Ų | 135 | 88% | 0.879 | 78% | 0.784 | S | S | * | * | trans | 29.3 | 122.2 | 140.2 | -74.9 | 179.5 | 170 | 173 | -2.6 | 117.8 | ||||
| 505 | S | 27.5 | Very low | 29 | Very low | 99 Ų | 99 | 134.8 Ų | 134.8 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | 161.2 | 172.7 | 65.6 | 48.4 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 506 | R | 27.9 | Very low | 29.2 | Very low | 226 Ų | 226 | 134.1 Ų | 134.1 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | trans | 67.2 | 104.2 | 156.1 | -79.7 | 175.6 | -179.1 | -169.1 | -0.4 | 116 | ||||
| 507 | S | 28.1 | Very low | 29.5 | Very low | 108 Ų | 108 | 133.5 Ų | 133.5 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | 86.5 | 138.9 | 87.7 | 69.9 | 0 | 0 | 0 | 0 | 112.3 | |||||
| 508 | S | 28.5 | Very low | 29.9 | Very low | 101 Ų | 101 | 133.3 Ų | 133.3 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | cis | -160.2 | -179.4 | 3.8 | 46.4 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 509 | S | 30.1 | Very low | 30.4 | Very low | 109 Ų | 109 | 133.3 Ų | 133.3 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | 43.4 | 110.7 | 153 | 54.2 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 510 | G | 27.4 | Very low | 30.7 | Very low | 87 Ų | 87 | 132.9 Ų | 132.9 | 90% | 0.897 | 78% | 0.776 | S | S | * | * | cis | 106.6 | 128.8 | 33.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 511 | G | 27.9 | Very low | 31 | Very low | 79 Ų | 79 | 129.3 Ų | 129.3 | 81% | 0.814 | 77% | 0.773 | S | S | * | * | trans | 145.1 | 113.9 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 512 | S | 32.3 | Very low | 31.4 | Very low | 114 Ų | 114 | 126 Ų | 126 | 80% | 0.797 | 78% | 0.775 | S | S | * | * | trans | -76.6 | 160.1 | 145.5 | -124.7 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 513 | P | 41.2 | Very low | 31.4 | Very low | 121 Ų | 121 | 128 Ų | 128 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | -146.5 | -179 | 50 | 42 | -22.3 | 0 | 0 | 0 | 117.3 | |||||
| 514 | V | 32.8 | Very low | 31.2 | Very low | 127 Ų | 127 | 128.9 Ų | 128.9 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | -84.1 | 144.7 | 162.3 | -168.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 515 | P | 46.6 | Very low | 31.5 | Very low | 105 Ų | 105 | 125.7 Ų | 125.7 | 68% | 0.682 | 77% | 0.768 | S | S | * | * | -156.4 | 177 | 53.3 | 41.7 | -18.3 | 0 | 0 | 0 | 121.2 | |||||
| 516 | S | 29.1 | Very low | 31.5 | Very low | 94 Ų | 94 | 126.1 Ų | 126.1 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | trans | 69.1 | 104.9 | 140.2 | 60.5 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 517 | S | 29.8 | Very low | 31.7 | Very low | 102 Ų | 102 | 119.8 Ų | 119.8 | 71% | 0.713 | 77% | 0.766 | S | S | * | * | 83.8 | 158.7 | 120.2 | 77.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 518 | Q | 32.7 | Very low | 32.5 | Very low | 174 Ų | 174 | 120.2 Ų | 120.2 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 77.3 | 142.9 | 168.1 | -60.2 | -161.7 | 15.1 | 0 | 0 | 117.8 | ||||
| 519 | L | 32.8 | Very low | 32.5 | Very low | 140 Ų | 140 | 121.2 Ų | 121.2 | 73% | 0.733 | 77% | 0.769 | S | S | * | * | cis | -163.4 | -176.1 | -22 | -150.9 | 111.2 | 0 | 0 | 0 | 110.5 | ||||
| 520 | L | 31.7 | Very low | 32.4 | Very low | 167 Ų | 167 | 122.9 Ų | 122.9 | 87% | 0.874 | 77% | 0.768 | S | S | * | * | trans | 79.3 | 139.7 | 168.9 | -58.7 | 164.3 | 0 | 0 | 0 | 117.9 | ||||
| 521 | G | 29.7 | Very low | 32.3 | Very low | 66 Ų | 66 | 125.8 Ų | 125.8 | 68% | 0.68 | 77% | 0.769 | S | S | * | * | cis | 165.8 | 160.6 | -12.2 | 0 | 0 | 0 | 0 | 0 | 116 | ||||
| 522 | A | 32.1 | Very low | 32.2 | Very low | 101 Ų | 101 | 127.9 Ų | 127.9 | 84% | 0.835 | 76% | 0.762 | S | S | * | * | trans | 71.3 | 151.4 | 170.6 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 523 | R | 29.3 | Very low | 32 | Very low | 223 Ų | 223 | 129.4 Ų | 129.4 | 84% | 0.842 | 75% | 0.754 | S | S | * | * | cis | -176.5 | 150.7 | -15.5 | -102.4 | -165 | 175 | -170.1 | -1.1 | 105.2 | ||||
| 524 | L | 32.1 | Very low | 31.3 | Very low | 130 Ų | 130 | 132.5 Ų | 132.5 | 68% | 0.681 | 75% | 0.751 | S | S | * | * | cis | -155.1 | 179.7 | -14.6 | -76.8 | 167.5 | 0 | 0 | 0 | 104.4 | ||||
| 525 | Q | 32.1 | Very low | 31 | Very low | 167 Ų | 167 | 134.9 Ų | 134.9 | 78% | 0.78 | 75% | 0.754 | S | S | * | * | cis | -156.4 | -158.2 | -1 | -135.2 | 163.8 | -35.3 | 0 | 0 | 106 | ||||
| 526 | S | 28.6 | Very low | 29.8 | Very low | 108 Ų | 108 | 134.8 Ų | 134.8 | 76% | 0.755 | 75% | 0.751 | S | S | * | * | cis | -160 | 164.5 | -1.9 | 32.4 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 527 | A | 30.3 | Very low | 29.7 | Very low | 92 Ų | 92 | 140.1 Ų | 140.1 | 76% | 0.76 | 76% | 0.757 | S | S | * | * | trans | -156.8 | 163 | 165.3 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 528 | P | 45.2 | Very low | 29.5 | Very low | 118 Ų | 118 | 143.9 Ų | 143.9 | 77% | 0.766 | 76% | 0.763 | S | S | * | * | -155.8 | 136.9 | 111 | 36.3 | -16.2 | 0 | 0 | 0 | 119.1 | |||||
| 529 | T | 29.7 | Very low | 29.2 | Very low | 121 Ų | 121 | 143.2 Ų | 143.2 | 74% | 0.742 | 76% | 0.758 | S | S | * | * | trans | 23 | 138.5 | 136.4 | 57.8 | 0 | 0 | 0 | 0 | 126.9 | ||||
| 530 | L | 26.9 | Very low | 28.8 | Very low | 145 Ų | 145 | 143 Ų | 143 | 76% | 0.759 | 76% | 0.757 | S | S | * | * | 76.1 | 130 | 129.1 | -73.6 | 168.1 | 0 | 0 | 0 | 124.1 | |||||
| 531 | T | 25.5 | Very low | 28.4 | Very low | 148 Ų | 148 | 142.7 Ų | 142.7 | 91% | 0.908 | 75% | 0.751 | S | S | * | * | trans | -158.9 | 174.9 | 130.9 | -11 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 532 | D | 27.1 | Very low | 28.1 | Very low | 123 Ų | 123 | 148.2 Ų | 148.2 | 66% | 0.658 | 76% | 0.756 | S | S | * | * | trans | -152.1 | 159.4 | -149.5 | -140.5 | -15.8 | 0 | 0 | 0 | 117.2 | ||||
| 533 | F | 27.3 | Very low | 27.8 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 64% | 0.64 | 75% | 0.748 | S | S | * | * | trans | 68.9 | 144.7 | 152.7 | -91.6 | -68.6 | 0 | 0 | 0 | 128.4 | ||||
| 534 | Y | 26.4 | Very low | 27.6 | Very low | 185 Ų | 185 | 146.7 Ų | 146.7 | 73% | 0.725 | 75% | 0.745 | S | S | * | * | trans | 67.9 | 153.2 | 158.6 | -67.7 | -62.5 | 0 | 0 | 0 | 120.6 | ||||
| 535 | Q | 25.4 | Very low | 27.3 | Very low | 178 Ų | 178 | 145.8 Ų | 145.8 | 83% | 0.832 | 75% | 0.749 | S | S | * | * | cis | -127.9 | 159.4 | 14.5 | -62.3 | 174.4 | 6 | 0 | 0 | 111.9 | ||||
| 536 | T | 23.3 | Very low | 27 | Very low | 102 Ų | 102 | 145.2 Ų | 145.2 | 63% | 0.626 | 75% | 0.752 | S | S | * | * | 64.4 | 138.3 | 50.8 | 23 | 0 | 0 | 0 | 0 | 116.1 | |||||
| 537 | R | 25.3 | Very low | 27.9 | Very low | 207 Ų | 207 | 145 Ų | 145 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | cis | -167.9 | 151.6 | 4.7 | -161.1 | -176.9 | -161.8 | -175.2 | 9.7 | 114.4 | ||||
| 538 | Q | 26.5 | Very low | 27.6 | Very low | 180 Ų | 180 | 146.9 Ų | 146.9 | 84% | 0.841 | 75% | 0.75 | S | S | * | * | trans | 167.8 | 155.3 | 140.9 | -95.4 | 164.1 | 112.6 | 0 | 0 | 110.4 | ||||
| 539 | K | 25.1 | Very low | 26.8 | Very low | 161 Ų | 161 | 149.9 Ų | 149.9 | 70% | 0.7 | 75% | 0.754 | S | S | * | * | cis | 103.8 | 133 | -4.7 | -150.7 | -160.5 | 174.5 | -171.6 | 0 | 118.9 | ||||
| 540 | L | 25 | Very low | 27.1 | Very low | 135 Ų | 135 | 149.4 Ų | 149.4 | 71% | 0.707 | 75% | 0.752 | S | S | * | * | trans | 88 | 150.5 | 167.8 | -58.6 | 172.8 | 0 | 0 | 0 | 117.8 | ||||
| 541 | H | 23.2 | Very low | 26.9 | Very low | 161 Ų | 161 | 147 Ų | 147 | 75% | 0.745 | 75% | 0.747 | S | S | * | * | cis | -166.6 | 173.1 | -43.7 | -146.2 | 61.8 | 0 | 0 | 0 | 111.3 | ||||
| 542 | K | 24.1 | Very low | 27 | Very low | 182 Ų | 182 | 144.8 Ų | 144.8 | 79% | 0.791 | 74% | 0.738 | S | S | * | * | trans | 79.8 | 160.6 | 177.1 | -65.7 | -173.3 | 173.2 | -175.6 | 0 | 117.7 | ||||
| 543 | Q | 24.7 | Very low | 26.9 | Very low | 141 Ų | 141 | 144.7 Ų | 144.7 | 66% | 0.659 | 75% | 0.746 | S | S | * | * | cis | 175.2 | 135.2 | -46.9 | -116.7 | -174.8 | -40.1 | 0 | 0 | 110 | ||||
| 544 | L | 25.9 | Very low | 27 | Very low | 150 Ų | 150 | 142.9 Ų | 142.9 | 79% | 0.785 | 75% | 0.752 | S | S | * | * | trans | 64.9 | 158.9 | 158.1 | -51.2 | 165.4 | 0 | 0 | 0 | 115.8 | ||||
| 545 | S | 25.8 | Very low | 27.1 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 75% | 0.753 | S | S | * | * | cis | -145.5 | 160 | 9.2 | -47.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 546 | D | 25.1 | Very low | 27.3 | Very low | 155 Ų | 155 | 136.2 Ų | 136.2 | 83% | 0.829 | 75% | 0.752 | S | S | * | * | trans | -77.2 | -175.3 | 150.7 | -97.2 | -48.1 | 0 | 0 | 0 | 110.7 | ||||
| 547 | P | 47.3 | Very low | 27.6 | Very low | 105 Ų | 105 | 136 Ų | 136 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | cis | -135.8 | -152.5 | -14.7 | 21.1 | 6.7 | 0 | 0 | 0 | 112.6 | ||||
| 548 | V | 24.8 | Very low | 27.7 | Very low | 130 Ų | 130 | 131.3 Ų | 131.3 | 79% | 0.788 | 75% | 0.753 | S | S | * | * | trans | 96.1 | 129 | 147.9 | 179.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 549 | Q | 29.1 | Very low | 27.7 | Very low | 182 Ų | 182 | 128.4 Ų | 128.4 | 85% | 0.85 | 75% | 0.751 | S | S | * | * | trans | -84.9 | 146.1 | 158.5 | -76.5 | -175.4 | -30.8 | 0 | 0 | 109.8 | ||||
| 550 | P | 34.7 | Very low | 27.7 | Very low | 110 Ų | 110 | 125.5 Ų | 125.5 | 71% | 0.714 | 75% | 0.751 | S | S | * | * | -161.5 | 171.1 | 79.9 | 43.4 | -22.4 | 0 | 0 | 0 | 119.5 | |||||
| 551 | S | 23.9 | Very low | 27.8 | Very low | 94 Ų | 94 | 127.1 Ų | 127.1 | 66% | 0.657 | 76% | 0.755 | S | S | * | * | trans | 47.1 | 111 | 139.4 | 67.9 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 552 | S | 26.6 | Very low | 28 | Very low | 102 Ų | 102 | 124.5 Ų | 124.5 | 71% | 0.713 | 76% | 0.755 | S | S | * | * | 82.7 | 148.3 | 114.5 | 73.3 | 0 | 0 | 0 | 0 | 123.7 | |||||
| 553 | C | 26.2 | Very low | 29 | Very low | 122 Ų | 122 | 121.3 Ų | 121.3 | 82% | 0.824 | 75% | 0.753 | S | S | * | * | trans | 69 | 142.6 | 163 | -66.2 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 554 | S | 28.1 | Very low | 29.1 | Very low | 108 Ų | 108 | 122.8 Ų | 122.8 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | cis | -163.9 | 176.8 | -9.4 | 48.7 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 555 | S | 29.9 | Very low | 29.1 | Very low | 109 Ų | 109 | 122.5 Ų | 122.5 | 76% | 0.762 | 76% | 0.758 | S | S | * | * | cis | -164.4 | 166.4 | 8 | 6.7 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 556 | S | 28.9 | Very low | 29.1 | Very low | 114 Ų | 114 | 123 Ų | 123 | 80% | 0.797 | 76% | 0.76 | S | S | * | * | cis | -153 | -159.9 | -0.3 | 50.6 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 557 | S | 29.3 | Very low | 29.1 | Very low | 98 Ų | 98 | 127 Ų | 127 | 69% | 0.685 | 76% | 0.764 | S | S | * | * | cis | -155.1 | 156 | 8.1 | 51.6 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 558 | S | 28.2 | Very low | 28.9 | Very low | 107 Ų | 107 | 127.4 Ų | 127.4 | 75% | 0.748 | 77% | 0.766 | S | S | * | * | trans | 16.8 | 128.4 | 137.9 | -42.7 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 559 | C | 25.3 | Very low | 28.9 | Very low | 119 Ų | 119 | 125.3 Ų | 125.3 | 80% | 0.804 | 76% | 0.762 | S | S | * | * | cis | -160 | -174.1 | 2.4 | -97.2 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 560 | S | 26.3 | Very low | 28.9 | Very low | 101 Ų | 101 | 124 Ų | 124 | 71% | 0.706 | 76% | 0.761 | S | S | * | * | cis | -155.5 | -168 | 15.2 | -154.4 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 561 | H | 26.2 | Very low | 28.6 | Very low | 168 Ų | 168 | 127.3 Ų | 127.3 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | -91.8 | 155.2 | 177.6 | -58.8 | -82.3 | 0 | 0 | 0 | 111.6 | ||||
| 562 | S | 27.8 | Very low | 28.7 | Very low | 106 Ų | 106 | 126.4 Ų | 126.4 | 74% | 0.741 | 78% | 0.777 | S | S | * | * | cis | 65.9 | 151.5 | 43.7 | -64.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 563 | P | 44.2 | Very low | 28.8 | Very low | 115 Ų | 115 | 127.3 Ų | 127.3 | 75% | 0.747 | 78% | 0.784 | S | S | * | * | cis | -133.2 | 155.2 | 22.4 | 45.2 | -28.6 | 0 | 0 | 0 | 115.8 | ||||
| 564 | Q | 28.2 | Very low | 28.9 | Very low | 172 Ų | 172 | 126.7 Ų | 126.7 | 80% | 0.804 | 78% | 0.781 | S | S | * | * | 74 | 141.1 | 97.3 | -62.3 | -158.3 | -0.2 | 0 | 0 | 121.8 | |||||
| 565 | L | 26.2 | Very low | 29.9 | Very low | 145 Ų | 145 | 126.8 Ų | 126.8 | 76% | 0.759 | 78% | 0.779 | S | S | * | * | trans | 89.8 | 147.5 | 139.9 | -86.8 | 168.4 | 0 | 0 | 0 | 123.9 | ||||
| 566 | C | 24.3 | Very low | 29.8 | Very low | 121 Ų | 121 | 127 Ų | 127 | 82% | 0.818 | 78% | 0.776 | S | S | * | * | trans | 84.3 | 138.5 | 158.5 | -69.1 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 567 | R | 26.5 | Very low | 29.8 | Very low | 240 Ų | 240 | 130.6 Ų | 130.6 | 91% | 0.906 | 78% | 0.777 | S | S | * | * | trans | -92.2 | 177.4 | 162.4 | -109.9 | 178.3 | 177.5 | 178.8 | -1.3 | 108.3 | ||||
| 568 | P | 42.3 | Very low | 29.7 | Very low | 113 Ų | 113 | 133.1 Ų | 133.1 | 73% | 0.734 | 78% | 0.782 | S | S | * | * | cis | -136.5 | -169.3 | -1.8 | 40 | -20.4 | 0 | 0 | 0 | 115.3 | ||||
| 569 | A | 25.5 | Very low | 29.8 | Very low | 85 Ų | 85 | 136.5 Ų | 136.5 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | trans | 68.5 | 113 | 141.5 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 570 | N | 28.6 | Very low | 29.9 | Very low | 155 Ų | 155 | 134.2 Ų | 134.2 | 83% | 0.829 | 79% | 0.787 | S | S | * | * | 50.6 | 149.2 | 128.7 | -78.6 | 2.4 | 0 | 0 | 0 | 124.4 | |||||
| 571 | L | 28.7 | Very low | 29.9 | Very low | 180 Ų | 180 | 135.5 Ų | 135.5 | 94% | 0.942 | 80% | 0.796 | S | S | * | * | trans | 72.6 | 138.6 | 173.4 | -54.1 | 169.6 | 0 | 0 | 0 | 115.5 | ||||
| 572 | G | 25.5 | Very low | 30.1 | Very low | 74 Ų | 74 | 132.6 Ų | 132.6 | 76% | 0.763 | 80% | 0.795 | S | S | * | * | cis | 151.4 | 73.7 | -14 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 573 | S | 28.4 | Very low | 30.7 | Very low | 122 Ų | 122 | 133.5 Ų | 133.5 | 85% | 0.853 | 80% | 0.798 | S | S | * | * | trans | -164.6 | 134.3 | 166.9 | 56.3 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 574 | S | 28.8 | Very low | 30.1 | Very low | 109 Ų | 109 | 139 Ų | 139 | 76% | 0.762 | 80% | 0.804 | S | S | * | * | trans | -90.9 | -173 | 156.9 | 63 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 575 | P | 48 | Very low | 30.3 | Very low | 109 Ų | 109 | 136.8 Ų | 136.8 | 71% | 0.708 | 80% | 0.802 | S | S | * | * | cis | -124.4 | -157.9 | 4.6 | 28.6 | -1.4 | 0 | 0 | 0 | 111.5 | ||||
| 576 | T | 28.6 | Very low | 30.3 | Very low | 114 Ų | 114 | 134.2 Ų | 134.2 | 70% | 0.699 | 80% | 0.796 | S | S | * | * | cis | -167.5 | 167.9 | 26.7 | -31.3 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 577 | K | 29.8 | Very low | 30.4 | Very low | 190 Ų | 190 | 135.1 Ų | 135.1 | 83% | 0.826 | 79% | 0.793 | S | S | * | * | trans | 80.9 | 150.1 | 165 | -59.6 | -178.2 | -179.5 | 179.6 | 0 | 117.8 | ||||
| 578 | L | 27.3 | Very low | 30.5 | Very low | 151 Ų | 151 | 133.9 Ų | 133.9 | 79% | 0.791 | 79% | 0.788 | S | S | * | * | cis | -176.4 | 116.7 | -44.6 | -116.8 | 171.4 | 0 | 0 | 0 | 109 | ||||
| 579 | L | 29.3 | Very low | 29.8 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 93% | 0.932 | 79% | 0.788 | S | S | * | * | trans | 172.1 | 140.7 | 148.2 | -118.3 | 67.8 | 0 | 0 | 0 | 109.3 | ||||
| 580 | G | 26.6 | Very low | 30 | Very low | 71 Ų | 71 | 140.2 Ų | 140.2 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | cis | 158.1 | 32 | -11.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 581 | S | 27.3 | Very low | 29.9 | Very low | 128 Ų | 128 | 141.9 Ų | 141.9 | 90% | 0.895 | 80% | 0.797 | S | S | * | * | trans | -156.3 | 137.6 | 168.9 | 57.6 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 582 | S | 29.4 | Very low | 30.1 | Very low | 107 Ų | 107 | 138.1 Ų | 138.1 | 75% | 0.748 | 79% | 0.786 | S | S | * | * | trans | -157 | 160.4 | 170.9 | 165.7 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 583 | P | 42.1 | Very low | 30.7 | Very low | 124 Ų | 124 | 139.8 Ų | 139.8 | 81% | 0.805 | 78% | 0.783 | S | S | * | * | trans | -128.4 | 154.7 | 147.1 | 18 | 2 | 0 | 0 | 0 | 114.7 | ||||
| 584 | R | 31.7 | Very low | 30.6 | Very low | 232 Ų | 232 | 142 Ų | 142 | 88% | 0.875 | 79% | 0.785 | S | S | * | * | trans | -93.1 | 166.4 | 159.8 | -66.9 | 168.9 | 161.5 | 179.5 | -8.8 | 108.1 | ||||
| 585 | T | 30.7 | Very low | 30.9 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 77% | 0.767 | 79% | 0.785 | S | S | * | * | -168.3 | 170.9 | 70 | 50.5 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 586 | S | 28 | Very low | 29.9 | Very low | 90 Ų | 90 | 142.3 Ų | 142.3 | 63% | 0.629 | 78% | 0.782 | S | S | * | * | cis | 81.5 | 129.2 | 19.5 | 80 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 587 | D | 26.2 | Very low | 30 | Very low | 140 Ų | 140 | 145 Ų | 145 | 75% | 0.749 | 79% | 0.791 | S | S | * | * | cis | -168.3 | -179 | -2.7 | -131.6 | -69.1 | 0 | 0 | 0 | 115.7 | ||||
| 588 | W | 26.9 | Very low | 29.9 | Very low | 214 Ų | 214 | 143.4 Ų | 143.4 | 81% | 0.811 | 79% | 0.79 | S | S | * | * | trans | 81.1 | 132.4 | 158.8 | -87.1 | 49.1 | 0 | 0 | 0 | 124.7 | ||||
| 589 | L | 29.4 | Very low | 29.9 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 73% | 0.733 | 78% | 0.784 | S | S | * | * | trans | 65.1 | 116.6 | 152.2 | -67.6 | 177.9 | 0 | 0 | 0 | 124.6 | ||||
| 590 | Q | 28.2 | Very low | 29.8 | Very low | 191 Ų | 191 | 135.9 Ų | 135.9 | 89% | 0.893 | 78% | 0.775 | S | S | * | * | -161.6 | -178.7 | 103.3 | -105 | -164.5 | 27.5 | 0 | 0 | 113.4 | |||||
| 591 | K | 27.1 | Very low | 30 | Very low | 191 Ų | 191 | 138.7 Ų | 138.7 | 83% | 0.83 | 78% | 0.78 | S | S | * | * | trans | -82.1 | 142.6 | -149.8 | -67.6 | 175.2 | 177.5 | 175.1 | 0 | 118.4 | ||||
| 592 | S | 33.9 | Very low | 30.4 | Very low | 101 Ų | 101 | 138.9 Ų | 138.9 | 71% | 0.706 | 78% | 0.776 | S | S | * | * | trans | -8.1 | 151.8 | 142.6 | 58.7 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 593 | P | 37.2 | Very low | 30.4 | Very low | 109 Ų | 109 | 142.9 Ų | 142.9 | 71% | 0.708 | 78% | 0.78 | S | S | * | * | cis | -149.2 | 149 | 45.4 | 39.7 | -19.4 | 0 | 0 | 0 | 121.1 | ||||
| 594 | L | 25.4 | Very low | 29.8 | Very low | 168 Ų | 168 | 142.4 Ų | 142.4 | 88% | 0.88 | 78% | 0.775 | S | S | * | * | trans | 60.5 | 158.9 | 149.3 | -65.6 | 173.5 | 0 | 0 | 0 | 120.5 | ||||
| 595 | P | 34.9 | Very low | 29.6 | Very low | 117 Ų | 117 | 139 Ų | 139 | 76% | 0.76 | 77% | 0.772 | S | S | * | * | cis | -121 | 175.2 | -14.5 | 38.7 | -24.2 | 0 | 0 | 0 | 114.6 | ||||
| 596 | T | 28.1 | Very low | 29.6 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 66% | 0.663 | 77% | 0.773 | S | S | * | * | trans | -58.3 | 138.4 | 179.8 | -49.4 | 0 | 0 | 0 | 0 | 115.6 | I598 | T596-I598 HydrophobicContact CG2-CB 3.96Å; T596-I598 HydrophobicContact CG2-CD1 3.71Å; T596-I598 HydrophobicContact CG2-CG1 3.62Å | ||
| 597 | I | 30.9 | Very low | 29.5 | Very low | 170 Ų | 170 | 137.8 Ų | 137.8 | 87% | 0.872 | 77% | 0.774 | S | S | * | * | trans | -120 | 101.5 | 152.6 | -59.5 | -179.4 | 0 | 0 | 0 | 108.7 | ||||
| 598 | I | 28.4 | Very low | 29.7 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 81% | 0.805 | 77% | 0.774 | S | S | * | * | trans | -131.2 | 133 | 170.1 | -69.4 | 172.2 | 0 | 0 | 0 | 106.2 | T596 | T596-I598 HydrophobicContact CG2-CB 3.96Å; T596-I598 HydrophobicContact CG2-CD1 3.71Å; T596-I598 HydrophobicContact CG2-CG1 3.62Å | ||
| 599 | G | 26.4 | Very low | 29.8 | Very low | 66 Ų | 66 | 134.5 Ų | 134.5 | 68% | 0.68 | 77% | 0.771 | S | S | * | * | trans | 142.1 | 81.3 | 169.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | P601 | G599-P601 WeakPolarHBondContact O-CD 3.32Š| ||
| 600 | S | 27.6 | Very low | 29.8 | Very low | 104 Ų | 104 | 137 Ų | 137 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -69.7 | 118.3 | 148.4 | 42.2 | 0 | 0 | 0 | 0 | 108.1 | T602 | S600-T602 PolarHBondContact O-N 3.28Š| ||
| 601 | P | 31.2 | Very low | 30.1 | Very low | 130 Ų | 130 | 133.8 Ų | 133.8 | 84% | 0.844 | 76% | 0.763 | S | S | * | * | trans | -82.5 | 59.7 | -173.1 | 33.9 | -35.9 | 0 | 0 | 0 | 112.2 | G599 K603 | G599-P601 WeakPolarHBondContact O-CD 3.32Å; P601-K603 PolarHBondContact O-N 2.94Å | ||
| 602 | T | 35.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 129.9 Ų | 129.9 | 82% | 0.816 | 76% | 0.757 | S | S | * | * | trans | -81.6 | 61.3 | 169.3 | -13.3 | 0 | 0 | 0 | 0 | 110.5 | S600 | S600-T602 PolarHBondContact O-N 3.28Š| ||
| 603 | K | 28.6 | Very low | 29.8 | Very low | 191 Ų | 191 | 135.1 Ų | 135.1 | 83% | 0.83 | 77% | 0.768 | S | S | * | * | trans | -130.3 | 120 | 170.7 | -86.9 | -169.3 | 173.6 | -178.4 | 0 | 111.5 | P601 | P601-K603 PolarHBondContact O-N 2.94Š| ||
| 604 | T | 29.6 | Very low | 29.3 | Very low | 113 Ų | 113 | 134.2 Ų | 134.2 | 69% | 0.693 | 76% | 0.76 | S | S | * | * | trans | -63.5 | 128.9 | 173 | 48.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 605 | I | 28.9 | Very low | 29.5 | Very low | 160 Ų | 160 | 135.2 Ų | 135.2 | 82% | 0.821 | 76% | 0.76 | S | S | * | * | trans | -120.9 | 83 | 161.5 | -55 | -177.8 | 0 | 0 | 0 | 108.4 | ||||
| 606 | S | 28.7 | Very low | 29.3 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -132.3 | 66.8 | 156.9 | -56.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 607 | A | 26.3 | Very low | 29.4 | Very low | 80 Ų | 80 | 133 Ų | 133 | 66% | 0.661 | 76% | 0.756 | S | S | * | * | trans | -77.8 | 149.7 | 149.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 608 | P | 30.4 | Very low | 29.4 | Very low | 114 Ų | 114 | 129.7 Ų | 129.7 | 74% | 0.74 | 75% | 0.747 | S | S | * | * | trans | -60.2 | 151.7 | 170.1 | 27.8 | -35.1 | 0 | 0 | 0 | 110.3 | K610 | P608-K610 PolarHBondContact O-N 3.08Š| ||
| 609 | F | 30.2 | Very low | 29.7 | Very low | 170 Ų | 170 | 128.1 Ų | 128.1 | 75% | 0.746 | 74% | 0.74 | S | S | * | * | trans | -51.3 | 105.4 | 172.1 | -84.8 | -90.4 | 0 | 0 | 0 | 109.9 | ||||
| 610 | K | 27.9 | Very low | 30.2 | Very low | 194 Ų | 194 | 132.3 Ų | 132.3 | 84% | 0.843 | 75% | 0.747 | S | S | * | * | trans | -108.8 | 66.4 | -177.2 | -160.6 | 174.5 | -173.7 | 178.1 | 0 | 110.3 | P608 P612 | P608-K610 PolarHBondContact O-N 3.08Å; K610-P612 WeakPolarHBondContact O-CD 3.48Å | ||
| 611 | I | 35.2 | Very low | 30.5 | Very low | 122 Ų | 122 | 136 Ų | 136 | 63% | 0.626 | 76% | 0.755 | S | S | * | * | trans | -54 | 121.9 | 171.8 | -60.8 | 172.1 | 0 | 0 | 0 | 108 | ||||
| 612 | P | 26.7 | Very low | 30.6 | Very low | 109 Ų | 109 | 133.2 Ų | 133.2 | 71% | 0.708 | 74% | 0.742 | S | S | * | * | trans | -60.1 | 138.5 | 169.9 | -19.8 | 32.3 | 0 | 0 | 0 | 109.2 | K610 T614 | K610-P612 WeakPolarHBondContact O-CD 3.48Å; P612-T614 PolarHBondContact O-N 2.9Å | ||
| 613 | K | 27.4 | Very low | 30.4 | Very low | 212 Ų | 212 | 135.4 Ų | 135.4 | 92% | 0.922 | 75% | 0.748 | S | S | * | * | trans | -55.8 | 99.5 | 179 | -71.9 | -175.2 | 176.5 | -175.8 | 0 | 110.5 | ||||
| 614 | T | 27 | Very low | 30.6 | Very low | 89 Ų | 89 | 130.2 Ų | 130.2 | 55% | 0.546 | 74% | 0.741 | S | S | . | * | trans | -70.4 | 132.4 | 168.2 | 45.4 | 0 | 0 | 0 | 0 | 108.1 | P612 A616 | P612-T614 PolarHBondContact O-N 2.9Å; T614-A616 PolarHBondContact O-N 2.62Å | ||
| 615 | Q | 29.7 | Very low | 30.5 | Very low | 190 Ų | 190 | 132.2 Ų | 132.2 | 89% | 0.888 | 75% | 0.747 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.1 | 62.7 | -165.6 | -166.5 | 175.2 | -1 | 0 | 0 | 111.6 | ||
| 616 | A | 30.1 | Very low | 30.4 | Very low | 76 Ų | 76 | 130.6 Ų | 130.6 | 63% | 0.628 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -130.3 | -16 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | T614 | T614-A616 PolarHBondContact O-N 2.62Š|
| 617 | S | 30.8 | Very low | 30.6 | Very low | 102 Ų | 102 | 130.8 Ų | 130.8 | 71% | 0.713 | 75% | 0.749 | S | S | * | * | G | 310 helix | trans | -87.4 | -5.2 | -179.3 | 51.1 | 0 | 0 | 0 | 0 | 114.9 | N619 | S617-N619 VanDerWaalsContact C-N 3.33Å; S617-N619 PolarHBondContact O-N 2.97Å |
| 618 | C | 32.3 | Very low | 30.8 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 68% | 0.676 | 76% | 0.758 | S | S | * | * | G | 310 helix | trans | -78.8 | -9 | -176.9 | -56 | 0 | 0 | 0 | 0 | 114.8 | ||
| 619 | N | 33.8 | Very low | 30.9 | Very low | 124 Ų | 124 | 135.3 Ų | 135.3 | 66% | 0.663 | 76% | 0.761 | S | S | * | * | G | 310 helix | trans | -97.9 | 12.7 | -168.8 | -70.1 | -3.9 | 0 | 0 | 0 | 114.8 | S617 M621 | S617-N619 VanDerWaalsContact C-N 3.33Å; S617-N619 PolarHBondContact O-N 2.97Å; N619-M621 PolarHBondContact O-N 3.34Å |
| 620 | L | 37.1 | Very low | 30.7 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 81% | 0.812 | 77% | 0.767 | S | S | * | * | G | 310 helix | trans | -74.8 | -7.3 | 177.8 | -93.6 | 166.9 | 0 | 0 | 0 | 114.7 | ||
| 621 | M | 33.3 | Very low | 30.8 | Very low | 182 Ų | 182 | 134.8 Ų | 134.8 | 90% | 0.897 | 77% | 0.768 | S | S | * | * | G | 310 helix | trans | -121.5 | 14.7 | 179.3 | -73.4 | 168.6 | 168.7 | 0 | 0 | 113.3 | N619 | N619-M621 PolarHBondContact O-N 3.34Š|
| 622 | A | 33.3 | Very low | 30.4 | Very low | 71 Ų | 71 | 135.6 Ų | 135.6 | 59% | 0.587 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.4 | 22.6 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||
| 623 | L | 30.8 | Very low | 30.3 | Very low | 179 Ų | 179 | 138 Ų | 138 | 94% | 0.937 | 78% | 0.778 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | 8.1 | 177.9 | -74.2 | 176.8 | 0 | 0 | 0 | 113.9 | ||
| 624 | A | 32.8 | Very low | 30.4 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 67% | 0.669 | 77% | 0.767 | S | S | * | * | S | Bend | trans | -138.1 | 63 | 178.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||
| 625 | D | 27.4 | Very low | 30.4 | Very low | 155 Ų | 155 | 134.9 Ų | 134.9 | 83% | 0.829 | 78% | 0.78 | S | S | * | * | trans | -176.6 | 132.2 | 133.5 | -96.6 | -22.2 | 0 | 0 | 0 | 111.4 | ||||
| 626 | S | 28.2 | Very low | 30.2 | Very low | 126 Ų | 126 | 130.1 Ų | 130.1 | 88% | 0.881 | 77% | 0.766 | S | S | * | * | trans | -132.4 | 84.8 | 178.8 | -66.8 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 627 | P | 31.3 | Very low | 30.1 | Very low | 116 Ų | 116 | 134.1 Ų | 134.1 | 75% | 0.753 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -86 | 154.1 | 168.8 | -9.5 | 28.9 | 0 | 0 | 0 | 112.5 | ||
| 628 | L | 30.1 | Very low | 29.8 | Very low | 165 Ų | 165 | 135.1 Ų | 135.1 | 86% | 0.864 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -73 | 161.3 | 171.5 | -110.9 | 69 | 0 | 0 | 0 | 112 | ||
| 629 | P | 34.2 | Very low | 29.5 | Very low | 123 Ų | 123 | 136 Ų | 136 | 80% | 0.799 | 77% | 0.771 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 145.7 | -169.2 | 33.3 | -35.2 | 0 | 0 | 0 | 113.9 | ||
| 630 | S | 25.9 | Very low | 29.1 | Very low | 124 Ų | 124 | 135.9 Ų | 135.9 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | trans | -136.8 | 174.9 | 159.8 | 66.6 | 0 | 0 | 0 | 0 | 110 | ||||
| 631 | R | 28.6 | Very low | 28.6 | Very low | 229 Ų | 229 | 135 Ų | 135 | 86% | 0.864 | 77% | 0.774 | S | S | * | * | trans | -115.2 | 153.1 | -160.2 | -77.6 | -178.4 | 171.1 | -179.5 | -2.8 | 113.8 | ||||
| 632 | I | 26.8 | Very low | 28.2 | Very low | 139 Ų | 139 | 133.3 Ų | 133.3 | 71% | 0.713 | 76% | 0.763 | S | S | * | * | trans | 86.6 | 134.1 | 136.8 | -84.9 | 165.8 | 0 | 0 | 0 | 120.4 | ||||
| 633 | L | 26.2 | Very low | 27.8 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 84% | 0.838 | 77% | 0.772 | S | S | * | * | trans | 68.5 | 132.4 | 155.9 | -107.4 | 75.3 | 0 | 0 | 0 | 124.7 | ||||
| 634 | A | 28.3 | Very low | 27.4 | Very low | 82 Ų | 82 | 135.1 Ų | 135.1 | 68% | 0.678 | 77% | 0.767 | S | S | * | * | 71.8 | 103.4 | 125.6 | 0 | 0 | 0 | 0 | 0 | 123.9 | |||||
| 635 | D | 27.5 | Very low | 27 | Very low | 154 Ų | 154 | 136 Ų | 136 | 82% | 0.824 | 77% | 0.768 | S | S | * | * | 81.6 | 150.4 | 104.6 | -135.3 | -0.2 | 0 | 0 | 0 | 123.9 | |||||
| 636 | C | 25.9 | Very low | 27.6 | Very low | 89 Ų | 89 | 134 Ų | 134 | 60% | 0.601 | 76% | 0.764 | S | S | * | * | trans | 58.8 | 119.6 | 157.4 | -80.7 | 0 | 0 | 0 | 0 | 125.4 | ||||
| 637 | Q | 27.1 | Very low | 27.5 | Very low | 160 Ų | 160 | 137.9 Ų | 137.9 | 75% | 0.748 | 76% | 0.76 | S | S | * | * | 77.4 | 117.7 | 124.6 | -71.8 | -165.6 | -92.3 | 0 | 0 | 124.6 | |||||
| 638 | D | 25.7 | Very low | 27.4 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 66% | 0.663 | 77% | 0.767 | S | S | * | * | 76 | 138.4 | 121.7 | -76.2 | -44.7 | 0 | 0 | 0 | 126 | |||||
| 639 | V | 25 | Very low | 27.3 | Very low | 117 Ų | 117 | 138.6 Ų | 138.6 | 71% | 0.709 | 76% | 0.762 | S | S | * | * | trans | 55.5 | 97.7 | 141.5 | 178.6 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 640 | C | 26.1 | Very low | 26.9 | Very low | 123 Ų | 123 | 136.7 Ų | 136.7 | 83% | 0.831 | 77% | 0.765 | S | S | * | * | 93.3 | 176.5 | 72.4 | -163.9 | 0 | 0 | 0 | 0 | 113.8 | |||||
| 641 | I | 25.1 | Very low | 27 | Very low | 136 Ų | 136 | 142.7 Ų | 142.7 | 70% | 0.697 | 77% | 0.769 | S | S | * | * | trans | 91.4 | 104.3 | 164.2 | -73.6 | 173.5 | 0 | 0 | 0 | 120 | ||||
| 642 | H | 26.4 | Very low | 27 | Very low | 147 Ų | 147 | 136 Ų | 136 | 68% | 0.681 | 76% | 0.762 | S | S | * | * | trans | 56 | 113.7 | 139.8 | -67.3 | -64.8 | 0 | 0 | 0 | 125.7 | ||||
| 643 | H | 24.3 | Very low | 27.1 | Very low | 166 Ų | 166 | 134.1 Ų | 134.1 | 77% | 0.769 | 77% | 0.767 | S | S | * | * | 85.1 | 155.6 | 120.2 | -79.4 | -41.7 | 0 | 0 | 0 | 124.7 | |||||
| 644 | C | 21.7 | Very low | 28.3 | Very low | 122 Ų | 122 | 132.1 Ų | 132.1 | 82% | 0.824 | 76% | 0.764 | S | S | * | * | trans | 83.2 | 102.5 | 158.8 | -75 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 645 | S | 24.2 | Very low | 29.1 | Very low | 99 Ų | 99 | 133.2 Ų | 133.2 | 69% | 0.692 | 76% | 0.764 | S | S | * | * | trans | -45.2 | 163.8 | 136.4 | -118.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 646 | P | 41 | Very low | 29.2 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 74% | 0.74 | 77% | 0.765 | S | S | * | * | cis | -143.8 | 165.2 | 46.4 | 33.2 | -10.3 | 0 | 0 | 0 | 119.4 | ||||
| 647 | Y | 26.4 | Very low | 29.4 | Very low | 207 Ų | 207 | 135 Ų | 135 | 81% | 0.812 | 78% | 0.775 | S | S | * | * | trans | 16.4 | 136.9 | 145.3 | -69.3 | -101.5 | 0 | 0 | 0 | 121.4 | ||||
| 648 | L | 28.7 | Very low | 29.5 | Very low | 170 Ų | 170 | 131.7 Ų | 131.7 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | -157.8 | 167.3 | 123.5 | -112.7 | 168.2 | 0 | 0 | 0 | 112.8 | |||||
| 649 | T | 28.1 | Very low | 29.7 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | trans | -116.2 | 148.7 | -167.5 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 650 | G | 26.6 | Very low | 30 | Very low | 82 Ų | 82 | 137 Ų | 137 | 85% | 0.845 | 78% | 0.782 | S | S | * | * | trans | -162.2 | 115.7 | 172.7 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 651 | R | 27 | Very low | 30 | Very low | 251 Ų | 251 | 141.5 Ų | 141.5 | 95% | 0.947 | 79% | 0.788 | S | S | * | * | trans | -86 | 166.2 | 156 | -89.2 | -175.8 | 166.5 | -167.9 | -2.8 | 108.7 | ||||
| 652 | A | 28.2 | Very low | 30.2 | Very low | 89 Ų | 89 | 137.6 Ų | 137.6 | 74% | 0.736 | 78% | 0.782 | S | S | * | * | cis | -176.4 | -171.2 | -18.2 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 653 | A | 29.4 | Very low | 30.4 | Very low | 98 Ų | 98 | 142.4 Ų | 142.4 | 81% | 0.81 | 79% | 0.794 | S | S | * | * | trans | 108.8 | 149.3 | 158.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 654 | P | 51.8 | Low | 30.7 | Very low | 118 Ų | 118 | 139.1 Ų | 139.1 | 77% | 0.766 | 79% | 0.79 | S | S | * | * | trans | -106.8 | -169.9 | -176.5 | 45.4 | -36.7 | 0 | 0 | 0 | 112.6 | ||||
| 655 | P | 44.9 | Very low | 31.4 | Very low | 106 Ų | 106 | 140.1 Ų | 140.1 | 69% | 0.688 | 79% | 0.791 | S | S | * | * | -154.5 | 177.6 | 83.6 | 41.8 | -21.6 | 0 | 0 | 0 | 117.5 | |||||
| 656 | E | 28.8 | Very low | 31.6 | Very low | 181 Ų | 181 | 140.5 Ų | 140.5 | 85% | 0.846 | 79% | 0.794 | S | S | * | * | trans | 44.8 | 124.7 | 143.7 | -71.9 | 167 | -158.9 | 0 | 0 | 122.3 | ||||
| 657 | A | 30.8 | Very low | 31.1 | Very low | 98 Ų | 98 | 141.9 Ų | 141.9 | 81% | 0.81 | 80% | 0.801 | S | S | * | * | 78.9 | 147 | 80.9 | 0 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 658 | S | 29.1 | Very low | 31.2 | Very low | 92 Ų | 92 | 135.4 Ų | 135.4 | 64% | 0.643 | 80% | 0.797 | S | S | * | * | cis | -164.3 | 174.7 | 9.3 | 72.5 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 659 | R | 29.2 | Very low | 31.4 | Very low | 225 Ų | 225 | 138.8 Ų | 138.8 | 85% | 0.849 | 80% | 0.798 | S | S | * | * | trans | 67.5 | 101.8 | 148.6 | -70 | 170.5 | -177.2 | 175.1 | 2.4 | 123.7 | ||||
| 660 | T | 31.6 | Very low | 31.4 | Very low | 126 Ų | 126 | 139.7 Ų | 139.7 | 77% | 0.773 | 80% | 0.797 | S | S | * | * | 35 | 116.5 | 123.5 | 55.2 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 661 | F | 27.5 | Very low | 31.8 | Very low | 218 Ų | 218 | 139.7 Ų | 139.7 | 96% | 0.956 | 78% | 0.784 | S | S | * | * | trans | -173.3 | 158.2 | 141.8 | -116.6 | -81.7 | 0 | 0 | 0 | 110.4 | ||||
| 662 | G | 27.9 | Very low | 32 | Very low | 55 Ų | 55 | 134.8 Ų | 134.8 | 57% | 0.567 | 78% | 0.777 | S | S | * | * | cis | 154.9 | 103.5 | -27.1 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 663 | R | 31.2 | Very low | 32 | Very low | 248 Ų | 248 | 138.8 Ų | 138.8 | 94% | 0.936 | 78% | 0.78 | S | S | * | * | trans | 65.4 | 166 | 172.3 | -68.9 | -173.1 | 172.8 | -179.9 | -2.5 | 117 | ||||
| 664 | S | 30.3 | Very low | 33.1 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 77% | 0.773 | S | S | * | * | cis | -169.3 | 141.3 | -32 | -89.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 665 | V | 35.9 | Very low | 32.2 | Very low | 142 Ų | 142 | 140.3 Ų | 140.3 | 86% | 0.861 | 77% | 0.772 | S | S | * | * | trans | 39.6 | 121.4 | 144.8 | -170.4 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 666 | S | 28.9 | Very low | 31.3 | Very low | 108 Ų | 108 | 145.8 Ų | 145.8 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -172 | 153.8 | 146.6 | 41.9 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 667 | T | 31.8 | Very low | 31.3 | Very low | 142 Ų | 142 | 143.9 Ų | 143.9 | 87% | 0.871 | 77% | 0.774 | S | S | * | * | cis | -156.3 | 162.4 | -15.3 | 15.5 | 0 | 0 | 0 | 0 | 108 | ||||
| 668 | G | 26.8 | Very low | 31 | Very low | 71 Ų | 71 | 145.9 Ų | 145.9 | 73% | 0.732 | 78% | 0.776 | S | S | * | * | trans | -116.7 | -161.7 | -176.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 669 | R | 33.7 | Very low | 31.1 | Very low | 241 Ų | 241 | 149.8 Ų | 149.8 | 91% | 0.909 | 79% | 0.788 | S | S | * | * | trans | 89.1 | 146.5 | -173.3 | -65.9 | -174.2 | -179.3 | -142.7 | -0.9 | 114.6 | ||||
| 670 | L | 28.5 | Very low | 30.8 | Very low | 146 Ų | 146 | 142.8 Ų | 142.8 | 76% | 0.764 | 79% | 0.786 | S | S | * | * | cis | -144.8 | -179.6 | 10.1 | -126.9 | 164.2 | 0 | 0 | 0 | 112.1 | ||||
| 671 | S | 34.1 | Very low | 30.7 | Very low | 82 Ų | 82 | 140.4 Ų | 140.4 | 57% | 0.573 | 79% | 0.787 | S | S | * | * | trans | -85.8 | 174.4 | 177 | 47.4 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 672 | D | 30.6 | Very low | 30.7 | Very low | 148 Ų | 148 | 139.1 Ų | 139.1 | 79% | 0.791 | 78% | 0.784 | S | S | * | * | -168.9 | 179.8 | 53.4 | -110.7 | -60.7 | 0 | 0 | 0 | 115.9 | |||||
| 673 | Q | 30.3 | Very low | 30.7 | Very low | 172 Ų | 172 | 139.7 Ų | 139.7 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -89.9 | -171.6 | 170.9 | -75.1 | -163.8 | 4 | 0 | 0 | 111.7 | ||||
| 674 | P | 51.2 | Low | 30.5 | Very low | 100 Ų | 100 | 137.4 Ų | 137.4 | 65% | 0.649 | 78% | 0.776 | S | S | * | * | cis | -146.7 | 173.5 | 9.2 | 40.7 | -18.2 | 0 | 0 | 0 | 120.4 | ||||
| 675 | I | 32.4 | Very low | 30.5 | Very low | 148 Ų | 148 | 141 Ų | 141 | 76% | 0.759 | 78% | 0.782 | S | S | * | * | trans | 56.1 | 124.1 | 143.2 | -68.1 | 162.2 | 0 | 0 | 0 | 119 | ||||
| 676 | R | 26.5 | Very low | 30.1 | Very low | 221 Ų | 221 | 137.3 Ų | 137.3 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | -176.3 | 144.5 | 72.8 | -148.1 | 160.4 | -165.7 | 174.1 | 3.9 | 115.7 | |||||
| 677 | I | 28.6 | Very low | 30.3 | Very low | 142 Ų | 142 | 137.4 Ų | 137.4 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | 4.3 | 134.9 | 149.8 | -52.7 | 160.8 | 0 | 0 | 0 | 119.9 | ||||
| 678 | T | 26 | Very low | 30.3 | Very low | 139 Ų | 139 | 135.9 Ų | 135.9 | 85% | 0.853 | 76% | 0.764 | S | S | * | * | -173.5 | 161.1 | 119.2 | -70.5 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 679 | L | 29.4 | Very low | 30.5 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 91% | 0.911 | 76% | 0.764 | S | S | * | * | trans | -101.4 | 149.5 | -172 | -174.4 | 79.6 | 0 | 0 | 0 | 112.2 | ||||
| 680 | G | 24.6 | Very low | 30.6 | Very low | 78 Ų | 78 | 131.7 Ų | 131.7 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | 160.7 | 120.9 | 163.7 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 681 | G | 28.1 | Very low | 31 | Very low | 76 Ų | 76 | 132.1 Ų | 132.1 | 78% | 0.784 | 75% | 0.753 | S | S | * | * | trans | -94.2 | -155.4 | -175.8 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 682 | Q | 27.7 | Very low | 30.7 | Very low | 191 Ų | 191 | 134.4 Ų | 134.4 | 89% | 0.893 | 76% | 0.759 | S | S | * | * | trans | 75.2 | 155.4 | 172.8 | -68.3 | -163.1 | -32.1 | 0 | 0 | 118.5 | ||||
| 683 | A | 28.7 | Very low | 30.8 | Very low | 68 Ų | 68 | 132.8 Ų | 132.8 | 56% | 0.562 | 75% | 0.754 | S | S | * | * | cis | -173.1 | -179.5 | -26.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 684 | Y | 26.7 | Very low | 30.8 | Very low | 199 Ų | 199 | 133.5 Ų | 133.5 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | 69.3 | 149.8 | 168.5 | -65.4 | -91.4 | 0 | 0 | 0 | 118.3 | ||||
| 685 | Q | 30.6 | Very low | 30 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | cis | 133.8 | 136.4 | -17.9 | 176.3 | 179 | -7.2 | 0 | 0 | 113 | ||||
| 686 | G | 26.8 | Very low | 30.7 | Very low | 65 Ų | 65 | 137.5 Ų | 137.5 | 67% | 0.67 | 76% | 0.763 | S | S | * | * | trans | 158.2 | 114 | 175.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 687 | S | 33.3 | Very low | 30.8 | Very low | 111 Ų | 111 | 134.6 Ų | 134.6 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | cis | 79.9 | 144.7 | 37.2 | -147.3 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 688 | T | 32.9 | Very low | 30.9 | Very low | 109 Ų | 109 | 134.5 Ų | 134.5 | 67% | 0.669 | 76% | 0.762 | S | S | * | * | cis | -121 | -154.4 | 3.4 | 65.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 689 | D | 29.2 | Very low | 30.9 | Very low | 134 Ų | 134 | 134.9 Ų | 134.9 | 72% | 0.717 | 76% | 0.764 | S | S | * | * | cis | -165.2 | -174.2 | -6.6 | -107.1 | -39.7 | 0 | 0 | 0 | 106.4 | ||||
| 690 | S | 37.7 | Very low | 30.6 | Very low | 90 Ų | 90 | 130.7 Ų | 130.7 | 63% | 0.629 | 75% | 0.754 | S | S | * | * | -174.3 | -171.1 | -53.8 | -84.4 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 691 | L | 35.3 | Very low | 31.7 | Very low | 156 Ų | 156 | 132.2 Ų | 132.2 | 82% | 0.817 | 75% | 0.75 | S | S | * | * | trans | 82.7 | 133.4 | 171.5 | -49.7 | -174.6 | 0 | 0 | 0 | 116.7 | ||||
| 692 | N | 27.7 | Very low | 31.6 | Very low | 130 Ų | 130 | 133.5 Ų | 133.5 | 70% | 0.695 | 75% | 0.747 | S | S | * | * | cis | -141.4 | 141.3 | 15.3 | -103.8 | -26.4 | 0 | 0 | 0 | 114.6 | ||||
| 693 | T | 34.1 | Very low | 31.5 | Very low | 113 Ų | 113 | 133.5 Ų | 133.5 | 69% | 0.693 | 75% | 0.749 | S | S | * | * | trans | 27.1 | 152 | 138.8 | 52.7 | 0 | 0 | 0 | 0 | 123.4 | ||||
| 694 | E | 29.5 | Very low | 31.5 | Very low | 187 Ų | 187 | 134.1 Ų | 134.1 | 87% | 0.874 | 75% | 0.754 | S | S | * | * | cis | -149.8 | -157.7 | 5.6 | -133.5 | 175.8 | 157.4 | 0 | 0 | 116.1 | ||||
| 695 | R | 33.6 | Very low | 31.6 | Very low | 233 Ų | 233 | 133.8 Ų | 133.8 | 88% | 0.879 | 76% | 0.76 | S | S | * | * | trans | -116.2 | -170 | -156.9 | -108.7 | -173 | -158 | 136.1 | 1.8 | 113.4 | ||||
| 696 | P | 47.8 | Very low | 31.4 | Very low | 99 Ų | 99 | 129.8 Ų | 129.8 | 64% | 0.643 | 76% | 0.764 | S | S | * | * | cis | -146.2 | 171.4 | 20.1 | 44.6 | -24.8 | 0 | 0 | 0 | 120.8 | ||||
| 697 | M | 28.1 | Very low | 31.3 | Very low | 160 Ų | 160 | 130.8 Ų | 130.8 | 79% | 0.788 | 78% | 0.775 | S | S | * | * | trans | 56.7 | 161.4 | 144.6 | -75 | -174.1 | -75.1 | 0 | 0 | 123 | ||||
| 698 | D | 30.4 | Very low | 31 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 78% | 0.779 | S | S | * | * | cis | 178.2 | 122.3 | -47.6 | -108.3 | -52.7 | 0 | 0 | 0 | 110.8 | ||||
| 699 | T | 26.2 | Very low | 30.8 | Very low | 147 Ų | 147 | 130.7 Ų | 130.7 | 90% | 0.902 | 79% | 0.785 | S | S | * | * | trans | -169.7 | 154.1 | 149.3 | -8 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 700 | A | 24.6 | Very low | 30.9 | Very low | 86 Ų | 86 | 129.3 Ų | 129.3 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | trans | -152.1 | -162.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108 | ||||
| 701 | P | 46.2 | Very low | 30.7 | Very low | 110 Ų | 110 | 131 Ų | 131 | 71% | 0.714 | 79% | 0.794 | S | S | * | * | cis | -135.5 | -176.3 | -17.7 | 32.6 | -10.7 | 0 | 0 | 0 | 114.4 | ||||
| 702 | S | 27.1 | Very low | 30.3 | Very low | 103 Ų | 103 | 134.4 Ų | 134.4 | 72% | 0.72 | 80% | 0.796 | S | S | * | * | trans | 49.3 | 129.3 | 142.2 | 63.5 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 703 | M | 25.5 | Very low | 30.4 | Very low | 191 Ų | 191 | 134.8 Ų | 134.8 | 94% | 0.941 | 80% | 0.803 | S | S | * | * | -166 | -179 | 118.1 | -111.2 | -170.2 | 75.5 | 0 | 0 | 113.7 | |||||
| 704 | A | 27.9 | Very low | 30.1 | Very low | 80 Ų | 80 | 135 Ų | 135 | 66% | 0.661 | 80% | 0.804 | S | S | * | * | trans | -107.6 | 179.5 | -154.5 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 705 | Q | 28.9 | Very low | 30 | Very low | 193 Ų | 193 | 133 Ų | 133 | 90% | 0.902 | 80% | 0.799 | S | S | * | * | trans | 72.2 | 122 | 158.9 | -68.3 | -176.2 | -3.3 | 0 | 0 | 120.8 | ||||
| 706 | G | 25.9 | Very low | 29.7 | Very low | 87 Ų | 87 | 131.3 Ų | 131.3 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | 86.7 | 123.4 | 116.3 | 0 | 0 | 0 | 0 | 0 | 119.1 | |||||
| 707 | G | 25.9 | Very low | 28.9 | Very low | 86 Ų | 86 | 132.4 Ų | 132.4 | 89% | 0.887 | 80% | 0.803 | S | S | * | * | trans | 171.5 | 141.9 | 168.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 708 | S | 26.8 | Very low | 29 | Very low | 125 Ų | 125 | 131.6 Ų | 131.6 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -129.8 | 168.1 | 177.5 | -174 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 709 | A | 27.6 | Very low | 28.9 | Very low | 94 Ų | 94 | 128.2 Ų | 128.2 | 78% | 0.777 | 81% | 0.805 | S | S | * | * | trans | 98 | 143 | 167.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 710 | S | 31.3 | Very low | 29.2 | Very low | 105 Ų | 105 | 126.6 Ų | 126.6 | 73% | 0.734 | 80% | 0.8 | S | S | * | * | trans | -70.4 | 159.2 | -175.2 | 145.1 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 711 | P | 34.1 | Very low | 29.8 | Very low | 124 Ų | 124 | 128.4 Ų | 128.4 | 81% | 0.805 | 80% | 0.804 | S | S | * | * | trans | -113.3 | 174.4 | 136.6 | 36.2 | -31.5 | 0 | 0 | 0 | 112.8 | ||||
| 712 | R | 27.9 | Very low | 29.4 | Very low | 229 Ų | 229 | 129.3 Ų | 129.3 | 86% | 0.864 | 81% | 0.81 | S | S | * | * | trans | -97.1 | 162.9 | -165.1 | -73.1 | 172.1 | 165.5 | 156.7 | -7.6 | 115.1 | ||||
| 713 | T | 28 | Very low | 29.5 | Very low | 138 Ų | 138 | 130.2 Ų | 130.2 | 85% | 0.847 | 82% | 0.817 | S | S | * | * | trans | -16.8 | 136.9 | 151.4 | -38 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 714 | V | 29.1 | Very low | 29.7 | Very low | 116 Ų | 116 | 126.6 Ų | 126.6 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | trans | -122.7 | 141.4 | 164.1 | 178.1 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 715 | L | 26.7 | Very low | 29.9 | Very low | 147 Ų | 147 | 127.8 Ų | 127.8 | 77% | 0.77 | 81% | 0.813 | S | S | * | * | trans | -92.6 | 141.8 | -179.5 | -164 | 83.1 | 0 | 0 | 0 | 110.4 | ||||
| 716 | F | 27.8 | Very low | 30 | Very low | 196 Ų | 196 | 124.8 Ų | 124.8 | 86% | 0.86 | 81% | 0.809 | S | S | * | * | trans | -114.3 | 123.5 | 169.4 | -82.5 | -80.8 | 0 | 0 | 0 | 111.4 | ||||
| 717 | T | 30.5 | Very low | 30.5 | Very low | 123 Ų | 123 | 126.3 Ų | 126.3 | 76% | 0.755 | 80% | 0.802 | S | S | * | * | trans | -105.1 | 136.6 | 174.7 | -56 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 718 | V | 31 | Very low | 31.2 | Very low | 143 Ų | 143 | 128 Ų | 128 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | -71.7 | 139.3 | -179.6 | -178.9 | 0 | 0 | 0 | 0 | 111 | ||||
| 719 | G | 27.7 | Very low | 31.3 | Very low | 69 Ų | 69 | 128.8 Ų | 128.8 | 71% | 0.711 | 80% | 0.798 | S | S | * | * | trans | -134 | 133.5 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 720 | S | 32.9 | Very low | 31.2 | Very low | 114 Ų | 114 | 130 Ų | 130 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -78.1 | 153.5 | -178.7 | -55.4 | 0 | 0 | 0 | 0 | 112.8 | ||
| 721 | P | 36.9 | Very low | 31.1 | Very low | 123 Ų | 123 | 130 Ų | 130 | 80% | 0.799 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -70.6 | 144.9 | 179.6 | 29.1 | -35.4 | 0 | 0 | 0 | 112.6 | ||
| 722 | P | 37.1 | Very low | 30.8 | Very low | 129 Ų | 129 | 132.1 Ų | 132.1 | 84% | 0.838 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -83.2 | 146.4 | -177.5 | 33 | -35.2 | 0 | 0 | 0 | 113.3 | ||
| 723 | S | 30.9 | Very low | 30.9 | Very low | 123 Ų | 123 | 129.1 Ų | 129.1 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -81.9 | 157.1 | 164.4 | 51.2 | 0 | 0 | 0 | 0 | 111.4 | ||
| 724 | S | 29.6 | Very low | 30.9 | Very low | 115 Ų | 115 | 126 Ų | 126 | 80% | 0.804 | 79% | 0.794 | S | S | * | * | trans | -108.1 | 131 | 179.3 | 53.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 725 | S | 30.7 | Very low | 30.9 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 73% | 0.727 | 80% | 0.803 | S | S | * | * | 158.7 | 154.5 | 123.2 | 55 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 726 | T | 30.7 | Very low | 31 | Very low | 131 Ų | 131 | 130 Ų | 130 | 80% | 0.804 | 81% | 0.809 | S | S | * | * | trans | 77 | 162.3 | 167.8 | 82.7 | 0 | 0 | 0 | 0 | 116 | ||||
| 727 | P | 36.5 | Very low | 31.7 | Very low | 118 Ų | 118 | 125.8 Ų | 125.8 | 77% | 0.766 | 80% | 0.801 | S | S | * | * | -125.1 | 176.2 | -104 | 16.4 | 10.3 | 0 | 0 | 0 | 114.8 | |||||
| 728 | P | 41.2 | Very low | 31.7 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | trans | -95.6 | 161.4 | -164.5 | 37.6 | -37.1 | 0 | 0 | 0 | 115.9 | ||||
| 729 | T | 28.5 | Very low | 31.8 | Very low | 143 Ų | 143 | 129.5 Ų | 129.5 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | trans | -143.7 | 152.2 | 157.7 | -56.9 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 730 | C | 26.4 | Very low | 31.9 | Very low | 118 Ų | 118 | 132.3 Ų | 132.3 | 80% | 0.797 | 80% | 0.803 | S | S | * | * | trans | -62.3 | 169.9 | 177.2 | -51.3 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 731 | S | 29.4 | Very low | 31.9 | Very low | 105 Ų | 105 | 131.8 Ų | 131.8 | 73% | 0.734 | 80% | 0.799 | S | S | * | * | cis | -170.8 | 149.8 | 33.9 | 54.5 | 0 | 0 | 0 | 0 | 115 | ||||
| 732 | H | 27.9 | Very low | 31.6 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 78% | 0.782 | 80% | 0.802 | S | S | * | * | trans | 34.3 | 135 | 141.7 | -86.1 | -94.3 | 0 | 0 | 0 | 124.6 | ||||
| 733 | L | 30.3 | Very low | 31.1 | Very low | 167 Ų | 167 | 129.4 Ų | 129.4 | 87% | 0.874 | 79% | 0.792 | S | S | * | * | trans | 73.8 | 148.1 | 143.5 | -65 | 164 | 0 | 0 | 0 | 121.1 | ||||
| 734 | G | 28.1 | Very low | 31.4 | Very low | 73 Ų | 73 | 129.3 Ų | 129.3 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 131.2 | 58.5 | 139.5 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 735 | A | 28.6 | Very low | 31.4 | Very low | 108 Ų | 108 | 129.3 Ų | 129.3 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | 46.4 | 142.1 | 143.8 | 0 | 0 | 0 | 0 | 0 | 125.3 | ||||
| 736 | R | 28 | Very low | 31.5 | Very low | 238 Ų | 238 | 129.9 Ų | 129.9 | 90% | 0.898 | 80% | 0.795 | S | S | * | * | trans | -54.8 | 168.8 | 157.6 | -90.2 | 177.3 | 172.4 | -172 | -2 | 113.8 | ||||
| 737 | P | 42.5 | Very low | 31.8 | Very low | 108 Ų | 108 | 129.1 Ų | 129.1 | 70% | 0.701 | 80% | 0.795 | S | S | * | * | cis | -161.5 | 164.4 | 48.1 | 45.5 | -23 | 0 | 0 | 0 | 123.4 | ||||
| 738 | R | 31.9 | Very low | 31.5 | Very low | 223 Ų | 223 | 128.6 Ų | 128.6 | 84% | 0.842 | 80% | 0.801 | S | S | * | * | trans | 61.5 | 119.7 | 134.6 | -78.7 | -177.3 | 178.6 | 145.7 | -0.9 | 125.7 | ||||
| 739 | T | 31.1 | Very low | 30.8 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 74% | 0.742 | 80% | 0.8 | S | S | * | * | 61.3 | 150.5 | 123.1 | 63.2 | 0 | 0 | 0 | 0 | 121.5 | |||||
| 740 | T | 29.7 | Very low | 31 | Very low | 127 Ų | 127 | 124.9 Ų | 124.9 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | -156.3 | 174.5 | 52.7 | 47 | 0 | 0 | 0 | 0 | 117.9 | |||||
| 741 | S | 33.1 | Very low | 31.2 | Very low | 104 Ų | 104 | 127 Ų | 127 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -46.3 | 174.7 | 172.7 | 49.9 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 742 | V | 31 | Very low | 31.1 | Very low | 140 Ų | 140 | 128.6 Ų | 128.6 | 85% | 0.848 | 81% | 0.808 | S | S | * | * | cis | -158 | 169 | 46.1 | 175.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 743 | G | 27.4 | Very low | 31.4 | Very low | 61 Ų | 61 | 125.9 Ų | 125.9 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | cis | 167.3 | -142.4 | 3 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 744 | S | 36.1 | Very low | 31.4 | Very low | 121 Ų | 121 | 124.8 Ų | 124.8 | 85% | 0.846 | 81% | 0.808 | S | S | * | * | -162.7 | 129.1 | -85.4 | -71.2 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 745 | S | 29.3 | Very low | 31.6 | Very low | 116 Ų | 116 | 127.4 Ų | 127.4 | 81% | 0.811 | 82% | 0.815 | S | S | * | * | trans | 172.9 | 120.5 | 158.4 | 39.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 746 | S | 34.8 | Very low | 31.6 | Very low | 115 Ų | 115 | 125.9 Ų | 125.9 | 80% | 0.804 | 81% | 0.81 | S | S | * | * | 75.6 | 140 | 73.9 | 74.8 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 747 | S | 36.6 | Very low | 31.7 | Very low | 115 Ų | 115 | 126.1 Ų | 126.1 | 80% | 0.804 | 81% | 0.811 | S | S | * | * | cis | -164.7 | 170.4 | 24.2 | 53.7 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 748 | A | 28.8 | Very low | 30.9 | Very low | 108 Ų | 108 | 127 Ų | 127 | 89% | 0.893 | 81% | 0.814 | S | S | * | * | trans | 64.3 | 152.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 749 | G | 27.6 | Very low | 30.7 | Very low | 74 Ų | 74 | 121.6 Ų | 121.6 | 76% | 0.763 | 81% | 0.809 | S | S | * | * | cis | 172.7 | 150 | -10.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 750 | S | 31.8 | Very low | 30.4 | Very low | 112 Ų | 112 | 123 Ų | 123 | 78% | 0.783 | 82% | 0.817 | S | S | * | * | trans | 25.1 | 127.7 | 168.2 | -71.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 751 | L | 30.6 | Very low | 30.2 | Very low | 161 Ų | 161 | 120.1 Ų | 120.1 | 84% | 0.843 | 81% | 0.813 | S | S | * | * | 74.9 | 117.5 | 61.3 | -72 | 175.5 | 0 | 0 | 0 | 117.1 | |||||
| 752 | C | 27.5 | Very low | 30.3 | Very low | 140 Ų | 140 | 121 Ų | 121 | 95% | 0.946 | 82% | 0.818 | S | S | * | * | 176.3 | 172.9 | 123.5 | -97.8 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 753 | S | 35.1 | Very low | 31.9 | Very low | 112 Ų | 112 | 120 Ų | 120 | 78% | 0.783 | 82% | 0.815 | S | S | * | * | trans | -158.1 | 155 | -168.3 | 174.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 754 | T | 29.7 | Very low | 32.7 | Very low | 143 Ų | 143 | 122.9 Ų | 122.9 | 88% | 0.877 | 82% | 0.823 | S | S | * | * | trans | -172 | 156.3 | 146.4 | 22.4 | 0 | 0 | 0 | 0 | 116 | ||||
| 755 | S | 32.3 | Very low | 32.5 | Very low | 128 Ų | 128 | 120.2 Ų | 120.2 | 90% | 0.895 | 82% | 0.815 | S | S | * | * | trans | -61.8 | 171.2 | 178.6 | -49.4 | 0 | 0 | 0 | 0 | 118 | ||||
| 756 | G | 27.9 | Very low | 32.9 | Very low | 77 Ų | 77 | 123.6 Ų | 123.6 | 79% | 0.794 | 82% | 0.82 | S | S | * | * | trans | 173.1 | 19.8 | 160.1 | 0 | 0 | 0 | 0 | 0 | 126.3 | ||||
| 757 | R | 30.9 | Very low | 32.5 | Very low | 243 Ų | 243 | 125.2 Ų | 125.2 | 92% | 0.917 | 83% | 0.825 | S | S | * | * | trans | 6.9 | 131.7 | 159.8 | -155.3 | -169.4 | -153.1 | -170.2 | 7.2 | 120.8 | ||||
| 758 | V | 26.6 | Very low | 32.2 | Very low | 127 Ų | 127 | 128.5 Ų | 128.5 | 77% | 0.77 | 83% | 0.83 | S | S | * | * | trans | 151.8 | 125.8 | 133.8 | 162.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 759 | C | 25.9 | Very low | 32.1 | Very low | 109 Ų | 109 | 126.8 Ų | 126.8 | 74% | 0.736 | 82% | 0.822 | S | S | * | * | trans | 46.2 | 125.3 | 149.2 | -65.4 | 0 | 0 | 0 | 0 | 128.2 | ||||
| 760 | V | 26.5 | Very low | 32.4 | Very low | 151 Ų | 151 | 128.3 Ų | 128.3 | 92% | 0.915 | 82% | 0.822 | S | S | * | * | 74.2 | 126.5 | 126.3 | 178.7 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 761 | G | 24.5 | Very low | 32.6 | Very low | 66 Ų | 66 | 128.5 Ų | 128.5 | 68% | 0.68 | 82% | 0.823 | S | S | * | * | trans | 169.8 | 128.4 | 159.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 762 | S | 34.5 | Very low | 34.1 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 85% | 0.846 | 82% | 0.819 | S | S | * | * | trans | -163.3 | 179.8 | 177.1 | -41.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 763 | P | 65 | Low | 35.1 | Very low | 119 Ų | 119 | 125.4 Ų | 125.4 | 77% | 0.773 | 81% | 0.81 | S | S | * | * | cis | -125.4 | -160.9 | -15.7 | 41.7 | -22.9 | 0 | 0 | 0 | 111.6 | ||||
| 764 | P | 44.5 | Very low | 34.7 | Very low | 122 Ų | 122 | 123.7 Ų | 123.7 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | -140.6 | -175.2 | 75.4 | 35.3 | -14.9 | 0 | 0 | 0 | 113.4 | |||||
| 765 | G | 32.5 | Very low | 34.4 | Very low | 66 Ų | 66 | 122.3 Ų | 122.3 | 68% | 0.68 | 81% | 0.807 | S | S | * | * | cis | 112.2 | 145.7 | -5.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 766 | M | 36.4 | Very low | 34 | Very low | 186 Ų | 186 | 124.6 Ų | 124.6 | 92% | 0.916 | 81% | 0.808 | S | S | * | * | cis | -162.4 | 138.1 | -14.6 | -72.3 | -179.4 | 60.9 | 0 | 0 | 110.2 | ||||
| 767 | T | 26.6 | Very low | 33.8 | Very low | 149 Ų | 149 | 124 Ų | 124 | 91% | 0.914 | 80% | 0.802 | S | S | * | * | trans | -147.8 | 145.6 | 155.3 | 33.1 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 768 | M | 31.7 | Very low | 33.6 | Very low | 185 Ų | 185 | 120.8 Ų | 120.8 | 91% | 0.911 | 80% | 0.801 | S | S | * | * | trans | -43.9 | 159.2 | -176.2 | -44.2 | -65.7 | -89.6 | 0 | 0 | 117.6 | ||||
| 769 | G | 25.9 | Very low | 33.5 | Very low | 71 Ų | 71 | 117.4 Ų | 117.4 | 73% | 0.732 | 79% | 0.792 | S | S | * | * | cis | 124.9 | 149.5 | 1.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 770 | S | 34.6 | Very low | 33.4 | Very low | 107 Ų | 107 | 122.2 Ų | 122.2 | 75% | 0.748 | 80% | 0.803 | S | S | * | * | cis | -178.9 | 136.2 | -13.1 | 50.6 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 771 | S | 34.6 | Very low | 33.3 | Very low | 115 Ų | 115 | 118.1 Ų | 118.1 | 80% | 0.804 | 79% | 0.792 | S | S | * | * | trans | 70.1 | 172.5 | 157.4 | -51.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 772 | P | 62.7 | Low | 33.5 | Very low | 117 Ų | 117 | 121.8 Ų | 121.8 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | -130 | -136 | -68.7 | 43.3 | -25.8 | 0 | 0 | 0 | 110.2 | |||||
| 773 | P | 49 | Very low | 33.1 | Very low | 119 Ų | 119 | 124.6 Ų | 124.6 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | cis | -132.2 | 163 | -36.6 | 38.2 | -21.6 | 0 | 0 | 0 | 116.7 | ||||
| 774 | G | 25.3 | Very low | 31.4 | Very low | 77 Ų | 77 | 122.3 Ų | 122.3 | 79% | 0.794 | 80% | 0.804 | S | S | * | * | trans | 97.3 | 158.1 | 136.8 | 0 | 0 | 0 | 0 | 0 | 122.9 | ||||
| 775 | S | 24.6 | Very low | 30.7 | Very low | 113 Ų | 113 | 121.3 Ų | 121.3 | 79% | 0.79 | 81% | 0.805 | S | S | * | * | trans | 65.5 | 122.9 | 174.9 | -151.7 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 776 | L | 23.6 | Very low | 30.4 | Very low | 177 Ų | 177 | 126.1 Ų | 126.1 | 93% | 0.927 | 82% | 0.816 | S | S | * | * | 64 | 118.9 | 59.6 | -93 | 167.6 | 0 | 0 | 0 | 115.7 | |||||
| 777 | G | 23 | Very low | 30.1 | Very low | 64 Ų | 64 | 120.3 Ų | 120.3 | 66% | 0.66 | 80% | 0.804 | S | S | * | * | trans | 142 | 120.9 | 149.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 778 | I | 26.8 | Very low | 30.2 | Very low | 176 Ų | 176 | 116.7 Ų | 116.7 | 90% | 0.903 | 80% | 0.796 | S | S | * | * | trans | 67.4 | 141.9 | 150.2 | -51.6 | 175.2 | 0 | 0 | 0 | 116.6 | ||||
| 779 | G | 24.4 | Very low | 30.8 | Very low | 56 Ų | 56 | 114.3 Ų | 114.3 | 58% | 0.577 | 79% | 0.794 | S | S | * | * | cis | 137.6 | 129.1 | -6.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 780 | Q | 25.1 | Very low | 30.8 | Very low | 209 Ų | 209 | 116.6 Ų | 116.6 | 98% | 0.977 | 80% | 0.799 | S | S | * | * | trans | 62.7 | 144.8 | 179.6 | -65.1 | 162.6 | -46.1 | 0 | 0 | 115.5 | ||||
| 781 | G | 24.7 | Very low | 30.6 | Very low | 65 Ų | 65 | 116.4 Ų | 116.4 | 67% | 0.67 | 80% | 0.798 | S | S | * | * | cis | 172.8 | 179.6 | -7.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 782 | V | 28.1 | Very low | 30.3 | Very low | 143 Ų | 143 | 118.1 Ų | 118.1 | 87% | 0.867 | 80% | 0.797 | S | S | * | * | trans | 64 | 98.7 | 165.4 | -167.3 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 783 | L | 26.6 | Very low | 28.6 | Very low | 180 Ų | 180 | 123 Ų | 123 | 94% | 0.942 | 80% | 0.801 | S | S | * | * | trans | -130.6 | 152.1 | 136.7 | -70.3 | 174.1 | 0 | 0 | 0 | 105.9 | ||||
| 784 | G | 28.3 | Very low | 27.5 | Very low | 72 Ų | 72 | 127.5 Ų | 127.5 | 74% | 0.742 | 80% | 0.804 | S | S | * | * | cis | 141.5 | 118.2 | 8.1 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 785 | A | 30.3 | Very low | 27.8 | Very low | 100 Ų | 100 | 131.6 Ų | 131.6 | 83% | 0.826 | 81% | 0.805 | S | S | * | * | trans | -98.5 | 135.6 | -167.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 786 | D | 26.7 | Very low | 28.6 | Very low | 167 Ų | 167 | 129.8 Ų | 129.8 | 89% | 0.893 | 79% | 0.791 | S | S | * | * | trans | -166.7 | 166.3 | 155 | -109.5 | -29.2 | 0 | 0 | 0 | 107.6 | ||||
| 787 | G | 28.5 | Very low | 28.8 | Very low | 65 Ų | 65 | 132.3 Ų | 132.3 | 67% | 0.67 | 79% | 0.79 | S | S | * | * | cis | 105.2 | 81.8 | 17.4 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 788 | G | 30.3 | Very low | 29.1 | Very low | 73 Ų | 73 | 132.8 Ų | 132.8 | 75% | 0.753 | 80% | 0.795 | S | S | * | * | trans | -90.2 | -167.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 789 | P | 44.7 | Very low | 29.5 | Very low | 135 Ų | 135 | 130.5 Ų | 130.5 | 88% | 0.877 | 79% | 0.79 | S | S | * | * | cis | -133.6 | 162.2 | -12.5 | 39.5 | -24.5 | 0 | 0 | 0 | 113.8 | ||||
| 790 | S | 25.7 | Very low | 29.8 | Very low | 118 Ų | 118 | 133.3 Ų | 133.3 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -157.8 | 140 | 163.4 | 53.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 791 | S | 29.6 | Very low | 31.3 | Very low | 103 Ų | 103 | 129.1 Ų | 129.1 | 72% | 0.72 | 79% | 0.791 | S | S | * | * | cis | 124.6 | 98.6 | 18.3 | 178.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 792 | L | 28.5 | Very low | 31.8 | Very low | 152 Ų | 152 | 131.5 Ų | 131.5 | 80% | 0.796 | 80% | 0.795 | S | S | * | * | trans | -139.2 | 104.3 | 163.7 | -72.9 | 178.4 | 0 | 0 | 0 | 107 | ||||
| 793 | R | 26.6 | Very low | 32.1 | Very low | 220 Ų | 220 | 130.1 Ų | 130.1 | 83% | 0.83 | 79% | 0.791 | S | S | * | * | 85.6 | 102.4 | 72.2 | -80.6 | -142.6 | -71 | 169.1 | -6.3 | 113.6 | |||||
| 794 | Y | 26.8 | Very low | 33 | Very low | 213 Ų | 213 | 129.3 Ų | 129.3 | 84% | 0.835 | 79% | 0.785 | S | S | * | * | trans | -73.7 | 151.8 | 160.2 | -149.2 | -96.1 | 0 | 0 | 0 | 110.4 | ||||
| 795 | I | 31.5 | Very low | 33.8 | Very low | 162 Ų | 162 | 134.6 Ų | 134.6 | 83% | 0.831 | 79% | 0.79 | S | S | * | * | trans | -179 | 148.6 | 153 | -96.1 | -80.9 | 0 | 0 | 0 | 107.7 | ||||
| 796 | P | 40.4 | Very low | 34.2 | Very low | 76 Ų | 76 | 132.9 Ų | 132.9 | 49% | 0.494 | 78% | 0.782 | S | S | . | * | trans | -130.5 | 178.8 | -146.8 | 44.1 | -30.6 | 0 | 0 | 0 | 118.3 | ||||
| 797 | Y | 29 | Very low | 34.8 | Very low | 229 Ų | 229 | 134.8 Ų | 134.8 | 90% | 0.898 | 78% | 0.783 | S | S | * | * | trans | 71.8 | 123.4 | 159 | -76.2 | -68.2 | 0 | 0 | 0 | 121.3 | ||||
| 798 | G | 29.2 | Very low | 35.7 | Very low | 75 Ų | 75 | 139.5 Ų | 139.5 | 77% | 0.773 | 79% | 0.791 | S | S | * | * | trans | -155.3 | 134.2 | 160.7 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 799 | T | 34.2 | Very low | 36.4 | Very low | 128 Ų | 128 | 142.2 Ų | 142.2 | 79% | 0.785 | 79% | 0.793 | S | S | * | * | trans | -95.4 | 129.4 | -159.1 | 50.2 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 800 | S | 30.7 | Very low | 36.7 | Very low | 115 Ų | 115 | 143.7 Ų | 143.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 68.6 | 149.8 | 147.6 | -57.3 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 801 | P | 56.1 | Low | 37.6 | Very low | 121 Ų | 121 | 146.8 Ų | 146.8 | 79% | 0.786 | 79% | 0.787 | S | S | * | * | trans | -100.8 | 175.2 | -169.4 | 41.1 | -37.8 | 0 | 0 | 0 | 114.6 | ||||
| 802 | P | 36.2 | Very low | 38.4 | Very low | 114 Ų | 114 | 145 Ų | 145 | 74% | 0.74 | 78% | 0.779 | S | S | * | * | -144.1 | 166.8 | 120.2 | 39.5 | -27.2 | 0 | 0 | 0 | 116.4 | |||||
| 803 | S | 35.2 | Very low | 39.6 | Very low | 114 Ų | 114 | 142.7 Ų | 142.7 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | 62.1 | 131.2 | 157.4 | 47.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 804 | M | 45.7 | Very low | 40.8 | Very low | 164 Ų | 164 | 141.4 Ų | 141.4 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -72.9 | 146.5 | 159.1 | -64.5 | 169.1 | 58.4 | 0 | 0 | 110.3 | ||||
| 805 | E | 44.3 | Very low | 42.3 | Very low | 183 Ų | 183 | 137 Ų | 137 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | -169.7 | 114.7 | 123.7 | -132.9 | 68.9 | -87.1 | 0 | 0 | 108.6 | |||||
| 806 | G | 37.8 | Very low | 43.8 | Very low | 63 Ų | 63 | 133.2 Ų | 133.2 | 65% | 0.649 | 75% | 0.753 | S | S | * | * | trans | 171.9 | 109.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | I808 | G806-I808 PolarHBondContact O-N 3.23Š| ||
| 807 | F | 40.1 | Very low | 44.7 | Very low | 208 Ų | 208 | 135.5 Ų | 135.5 | 91% | 0.912 | 76% | 0.757 | S | S | * | * | trans | -72.6 | 108.4 | 179.9 | -76.3 | -96.1 | 0 | 0 | 0 | 111 | T809 | F807-T809 PolarHBondContact O-N 3.13Š| ||
| 808 | I | 47.2 | Very low | 46.2 | Very low | 164 Ų | 164 | 125.9 Ų | 125.9 | 84% | 0.841 | 72% | 0.72 | S | S | * | * | trans | -75.7 | 100.6 | 164.4 | -57.4 | 176.6 | 0 | 0 | 0 | 107.5 | G806 F810 | G806-I808 PolarHBondContact O-N 3.23Å; I808-F810 PolarHBondContact O-N 3.14Å | ||
| 809 | T | 45.5 | Very low | 47.6 | Very low | 129 Ų | 129 | 126.2 Ų | 126.2 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -68.8 | 99 | 166.4 | 45.2 | 0 | 0 | 0 | 0 | 108.9 | F807 E811 | F807-T809 PolarHBondContact O-N 3.13Å; T809-E811 PolarHBondContact O-N 2.76Å | ||
| 810 | F | 51.5 | Low | 48.9 | Very low | 167 Ų | 167 | 127.4 Ų | 127.4 | 73% | 0.732 | 71% | 0.708 | S | S | * | * | trans | -70.7 | 95.9 | 171.3 | -178.5 | -98.6 | 0 | 0 | 0 | 109.4 | I808 A812 | I808-F810 PolarHBondContact O-N 3.14Å; F810-A812 HydrophobicContact CD1-CB 4.16Å; F810-A812 HydrophobicContact CE1-CB 3.77Å; F810-A812 PolarHBondContact O-N 3.11Å | ||
| 811 | E | 42.9 | Very low | 50.7 | Low | 182 Ų | 182 | 124 Ų | 124 | 85% | 0.85 | 68% | 0.68 | S | S | * | * | trans | -71.9 | 104.2 | 166.5 | -170.3 | 161.7 | -133.3 | 0 | 0 | 107.8 | T809 | T809-E811 PolarHBondContact O-N 2.76Š| ||
| 812 | A | 47.7 | Very low | 51.8 | Low | 66 Ų | 66 | 125 Ų | 125 | 55% | 0.545 | 67% | 0.674 | S | S | . | * | trans | -66.9 | 129.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 109.6 | F810 E814 | F810-A812 HydrophobicContact CD1-CB 4.16Å; F810-A812 HydrophobicContact CE1-CB 3.77Å; F810-A812 PolarHBondContact O-N 3.11Å; A812-E814 PolarHBondContact O-N 3.32Å | ||
| 813 | P | 53.3 | Low | 53.8 | Low | 103 Ų | 103 | 129 Ų | 129 | 67% | 0.669 | 67% | 0.674 | S | S | * | * | trans | -55.2 | 136.3 | 177.1 | -25.9 | 34.4 | 0 | 0 | 0 | 111.3 | L815 | P813-L815 PolarHBondContact O-N 3.23Š| ||
| 814 | E | 51.9 | Low | 56.1 | Low | 193 Ų | 193 | 127.9 Ų | 127.9 | 90% | 0.902 | 66% | 0.657 | S | S | * | * | trans | -57.3 | 113.3 | 173.8 | -67.7 | -169.1 | 148.3 | 0 | 0 | 109.3 | A812 | A812-E814 PolarHBondContact O-N 3.32Š| ||
| 815 | L | 58.3 | Low | 58 | Low | 120 Ų | 120 | 120.2 Ų | 120.2 | 63% | 0.628 | 62% | 0.619 | S | S | * | * | trans | -62.1 | 133.8 | 172.8 | -68.4 | 175 | 0 | 0 | 0 | 108 | P813 E817 T819 | P813-L815 PolarHBondContact O-N 3.23Å; L815-E817 PolarHBondContact O-N 3.06Å; L815-T819 HydrophobicContact CB-CG2 4.45Å; L815-T819 HydrophobicContact CD1-CG2 4.39Å | ||
| 816 | P | 62 | Low | 60 | Low | 84 Ų | 84 | 113.3 Ų | 113.3 | 55% | 0.545 | 59% | 0.589 | S | S | . | * | trans | -50.5 | 141.5 | 176.6 | -28.1 | 34.1 | 0 | 0 | 0 | 111 | E818 T819 | P816-E818 PolarHBondContact O-N 2.69Å; P816-T819 WeakPolarHBondContact CD-OG1 3.16Å; P816-T819 VanDerWaalsContact O-CB 3.25Å; P816-T819 WeakPolarHBondContact O-CB 3.49Å; P816-T819 PolarHBondContact O-N 3.41Å; P816-T819 PolarHBondContact O-OG1 2.83Å | ||
| 817 | E | 59.3 | Low | 62.3 | Low | 123 Ų | 123 | 114.7 Ų | 114.7 | 58% | 0.575 | 58% | 0.581 | S | S | * | * | G | 310 helix | trans | -43.2 | -39.7 | 179.1 | -173.2 | 179.7 | -158.7 | 0 | 0 | 111.8 | L815 T819 L820 M821 | L815-E817 PolarHBondContact O-N 3.06Å; E817-T819 VanDerWaalsContact C-N 3.26Å; E817-T819 PolarHBondContact O-N 3.35Å; E817-L820 PolarHBondContact O-N 3.4Å; E817-M821 HydrophobicContact CG-SD 4.45Å; E817-M821 WeakPolarHBondContact O-CG 3.41Å |
| 818 | E | 60.7 | Low | 64.6 | Low | 27 Ų | 27 | 105.8 Ų | 105.8 | 13% | 0.126 | 54% | 0.544 | C | S | . | . | G | 310 helix | trans | -64.2 | -20.9 | -178.5 | -45.3 | -169.3 | 147.4 | 0 | 0 | 114.5 | P816 L820 M821 T826 L829 R833 S916 A918 | P816-E818 PolarHBondContact O-N 2.69Å; E818-L820 PolarHBondContact O-N 3.23Å; E818-M821 HydrophobicContact CB-SD 4.34Å; E818-M821 HydrophobicContact CG-SD 4.28Å; E818-M821 PolarHBondContact O-N 2.96Å; E818-T826 WeakPolarHBondContact O-CG2 3.27Å; E818-L829 WeakPolarHBondContact OE1-CD2 3.14Å; E818-L829 WeakPolarHBondContact OE2-CD2 3.37Å; E818-R833 IonicContact OE1-NH2 3.34Å; E818-R833 IonicContact OE2-CZ 2.78Å; E818-R833 IonicContact OE2-NH1 2.58Å; E818-R833 IonicContact OE2-NH2 3.16Å; E818-R833 PolarHBondContact OE2-NH2 3.38Å; E818-S916 PolarHBondContact OE1-OG 3.25Å; E818-A918 WeakPolarHBondContact OE1-CB 3.48Å |
| 819 | T | 59.1 | Low | 66.6 | Low | 82 Ų | 82 | 98.1 Ų | 98.1 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | G | 310 helix | trans | -70.7 | -20.8 | 176.5 | -35.2 | 0 | 0 | 0 | 0 | 112.4 | L815 P816 E817 | L815-T819 HydrophobicContact CB-CG2 4.45Å; L815-T819 HydrophobicContact CD1-CG2 4.39Å; P816-T819 WeakPolarHBondContact CD-OG1 3.16Å; P816-T819 VanDerWaalsContact O-CB 3.25Å; P816-T819 WeakPolarHBondContact O-CB 3.49Å; P816-T819 PolarHBondContact O-N 3.41Å; P816-T819 PolarHBondContact O-OG1 2.83Å; E817-T819 VanDerWaalsContact C-N 3.26Å; E817-T819 PolarHBondContact O-N 3.35Å |
| 820 | L | 61.2 | Low | 68.7 | Low | 153 Ų | 153 | 97 Ų | 97 | 80% | 0.801 | 49% | 0.493 | S | S | * | . | G | 310 helix | trans | -102.8 | 6.6 | 179.5 | -62.1 | 173.9 | 0 | 0 | 0 | 112.7 | E817 E818 | E817-L820 PolarHBondContact O-N 3.4Å; E818-L820 PolarHBondContact O-N 3.23Å |
| 821 | M | 69.6 | Low | 70.5 | Confident | 45 Ų | 45 | 92 Ų | 92 | 22% | 0.222 | 47% | 0.472 | C | S | . | . | S | Bend | trans | -97.8 | 161.6 | -175 | -60.4 | 179.7 | 80.2 | 0 | 0 | 112.1 | E817 E818 H825 N914 | E817-M821 HydrophobicContact CG-SD 4.45Å; E817-M821 WeakPolarHBondContact O-CG 3.41Å; E818-M821 HydrophobicContact CB-SD 4.34Å; E818-M821 HydrophobicContact CG-SD 4.28Å; E818-M821 PolarHBondContact O-N 2.96Å; M821-H825 HydrophobicContact CB-CB 4.35Å; M821-H825 VanDerWaalsContact CE-CE1 3.41Å; M821-H825 WeakPolarHBondContact CE-CE1 3.27Å; M821-H825 WeakPolarHBondContact CE-NE2 3.4Å; M821-N914 HydrophobicContact CE-CB 3.62Å |
| 822 | E | 77.5 | Confident | 72.9 | Confident | 141 Ų | 141 | 83.4 Ų | 83.4 | 66% | 0.659 | 43% | 0.432 | S | S | * | . | trans | -61.4 | 153.7 | -178.2 | -62.4 | -172.2 | 160.3 | 0 | 0 | 112.9 | E824 H825 T826 | E822-E824 VanDerWaalsContact C-N 3.29Å; E822-E824 PolarHBondContact O-N 3.37Å; E822-H825 WeakPolarHBondContact O-CB 3.41Å; E822-H825 PolarHBondContact O-N 3.24Å; E822-H825 VanDerWaalsContact O-N 3.09Å; E822-T826 PolarHBondContact O-N 3.01Å; E822-T826 PolarHBondContact O-OG1 2.87Å | ||
| 823 | R | 79.8 | Confident | 75 | Confident | 198 Ų | 198 | 85.1 Ų | 85.1 | 75% | 0.747 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -58.4 | -39.8 | -179.5 | -172.7 | 177.5 | -64.9 | 139.9 | 2.5 | 112.4 | H825 T826 D827 | R823-H825 VanDerWaalsContact C-N 3.29Å; R823-H825 PolarHBondContact O-N 3.1Å; R823-T826 WeakPolarHBondContact CA-OG1 3.45Å; R823-T826 PolarHBondContact O-N 2.73Å; R823-T826 PolarHBondContact O-OG1 3.06Å; R823-T826 VanDerWaalsContact O-OG1 3.07Å; R823-D827 WeakPolarHBondContact CG-OD2 3.44Å; R823-D827 WeakPolarHBondContact O-CB 3.34Å; R823-D827 VanDerWaalsContact O-CG 3.26Å; R823-D827 PolarHBondContact O-N 2.94Å |
| 824 | E | 81.9 | Confident | 76.8 | Confident | 91 Ų | 91 | 81.8 Ų | 81.8 | 43% | 0.425 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63 | -35.2 | 177.7 | -63.7 | -168.9 | 145.7 | 0 | 0 | 113 | E822 T828 K912 | E822-E824 VanDerWaalsContact C-N 3.29Å; E822-E824 PolarHBondContact O-N 3.37Å; E824-T828 VanDerWaalsContact O-CB 3.23Å; E824-T828 WeakPolarHBondContact O-CB 3.46Å; E824-T828 PolarHBondContact O-N 3.35Å; E824-T828 VanDerWaalsContact O-N 3.07Å; E824-T828 PolarHBondContact O-OG1 3.33Å; E824-K912 IonicContact OE1-NZ 2.96Å; E824-K912 PolarHBondContact OE1-NZ 3.39Å; E824-K912 WeakPolarHBondContact OE2-CD 3.21Å; E824-K912 WeakPolarHBondContact OE2-CG 3.32Å; E824-K912 IonicContact OE2-NZ 2.68Å; E824-K912 PolarHBondContact OE2-NZ 2.86Å |
| 825 | H | 86.6 | Confident | 78.7 | Confident | 2 Ų | 2 | 73 Ų | 73 | 1% | 0.009 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65 | -50.9 | 176 | 175.6 | 85.3 | 0 | 0 | 0 | 110.7 | M821 E822 R823 T828 L829 K912 N914 | M821-H825 HydrophobicContact CB-CB 4.35Å; M821-H825 VanDerWaalsContact CE-CE1 3.41Å; M821-H825 WeakPolarHBondContact CE-CE1 3.27Å; M821-H825 WeakPolarHBondContact CE-NE2 3.4Å; E822-H825 WeakPolarHBondContact O-CB 3.41Å; E822-H825 PolarHBondContact O-N 3.24Å; E822-H825 VanDerWaalsContact O-N 3.09Å; R823-H825 VanDerWaalsContact C-N 3.29Å; R823-H825 PolarHBondContact O-N 3.1Å; H825-T828 PolarHBondContact O-N 3.5Å; H825-L829 WeakPolarHBondContact O-CB 3.17Å; H825-L829 PolarHBondContact O-N 3.49Å; H825-K912 WeakPolarHBondContact CA-O 3.36Å; H825-N914 PolarHBondContact CE1-O 2.85Å; H825-N914 VanDerWaalsContact CE1-O 3.29Å; H825-N914 PolarHBondContact ND1-N 3.46Å |
| 826 | T | 85.3 | Confident | 80.4 | Confident | 38 Ų | 38 | 68.6 Ų | 68.6 | 23% | 0.233 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -67.3 | -43.7 | -177.2 | 42.1 | 0 | 0 | 0 | 0 | 111.7 | E818 E822 R823 T828 L829 I830 | E818-T826 WeakPolarHBondContact O-CG2 3.27Å; E822-T826 PolarHBondContact O-N 3.01Å; E822-T826 PolarHBondContact O-OG1 2.87Å; R823-T826 WeakPolarHBondContact CA-OG1 3.45Å; R823-T826 PolarHBondContact O-N 2.73Å; R823-T826 PolarHBondContact O-OG1 3.06Å; R823-T826 VanDerWaalsContact O-OG1 3.07Å; T826-T828 PolarHBondContact O-N 2.99Å; T826-L829 PolarHBondContact O-N 3.02Å; T826-I830 WeakPolarHBondContact O-CB 3.4Å; T826-I830 WeakPolarHBondContact O-CD1 3.24Å; T826-I830 VanDerWaalsContact O-CG1 3.24Å; T826-I830 WeakPolarHBondContact O-CG1 3.36Å; T826-I830 PolarHBondContact O-N 3.11Å |
| 827 | D | 87.6 | Confident | 81.8 | Confident | 92 Ų | 92 | 67 Ų | 67 | 49% | 0.492 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -59.5 | -44.7 | 173.9 | -72.6 | -19.6 | 0 | 0 | 0 | 111.9 | R823 L829 I830 H831 | R823-D827 WeakPolarHBondContact CG-OD2 3.44Å; R823-D827 WeakPolarHBondContact O-CB 3.34Å; R823-D827 VanDerWaalsContact O-CG 3.26Å; R823-D827 PolarHBondContact O-N 2.94Å; D827-L829 PolarHBondContact O-N 2.79Å; D827-I830 PolarHBondContact O-N 2.95Å; D827-H831 WeakPolarHBondContact O-CB 3.36Å; D827-H831 PolarHBondContact O-N 3.27Å |
| 828 | T | 88.4 | Confident | 83.4 | Confident | 21 Ų | 21 | 61.2 Ų | 61.2 | 13% | 0.129 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 177.1 | -60.8 | 0 | 0 | 0 | 0 | 111.4 | E824 H825 T826 H831 L832 Q907 L913 | E824-T828 VanDerWaalsContact O-CB 3.23Å; E824-T828 WeakPolarHBondContact O-CB 3.46Å; E824-T828 PolarHBondContact O-N 3.35Å; E824-T828 VanDerWaalsContact O-N 3.07Å; E824-T828 PolarHBondContact O-OG1 3.33Å; H825-T828 PolarHBondContact O-N 3.5Å; T826-T828 PolarHBondContact O-N 2.99Å; T828-H831 PolarHBondContact O-N 3.21Å; T828-L832 HydrophobicContact CG2-CD1 4.29Å; T828-L832 WeakPolarHBondContact O-CG 3.42Å; T828-L832 PolarHBondContact O-N 3.01Å; T828-Q907 HydrophobicContact CG2-CB 4.17Å; T828-Q907 HydrophobicContact CG2-CG 3.94Å; T828-L913 HydrophobicContact CG2-CB 4.41Å; T828-L913 HydrophobicContact CG2-CD1 3.86Å; T828-L913 HydrophobicContact CG2-CD2 4.09Å; T828-L913 HydrophobicContact CG2-CG 4.36Å |
| 829 | L | 88.9 | Confident | 85 | Confident | 3 Ų | 3 | 59.9 Ų | 59.9 | 2% | 0.016 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -71.2 | -38.5 | 179.7 | -178.1 | 52.4 | 0 | 0 | 0 | 112.6 | E818 H825 T826 D827 H831 L832 R833 L913 V919 V922 | E818-L829 WeakPolarHBondContact OE1-CD2 3.14Å; E818-L829 WeakPolarHBondContact OE2-CD2 3.37Å; H825-L829 WeakPolarHBondContact O-CB 3.17Å; H825-L829 PolarHBondContact O-N 3.49Å; T826-L829 PolarHBondContact O-N 3.02Å; D827-L829 PolarHBondContact O-N 2.79Å; L829-H831 VanDerWaalsContact C-N 3.31Å; L829-H831 PolarHBondContact O-N 3.39Å; L829-L832 PolarHBondContact O-N 3.27Å; L829-R833 HydrophobicContact CD1-CG 4.37Å; L829-R833 WeakPolarHBondContact O-CG 3.48Å; L829-R833 PolarHBondContact O-N 2.92Å; L829-L913 HydrophobicContact CB-CD1 4.35Å; L829-V919 HydrophobicContact CD1-CG2 3.94Å; L829-V919 HydrophobicContact CD2-CG2 3.91Å; L829-V919 HydrophobicContact CG-CG2 4.42Å; L829-V922 HydrophobicContact CD1-CB 4.42Å; L829-V922 HydrophobicContact CD1-CG2 4.16Å |
| 830 | I | 89.1 | Confident | 86.6 | Confident | 105 Ų | 105 | 58 Ų | 58 | 54% | 0.538 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.2 | -44.6 | 171.5 | -71.1 | 163.9 | 0 | 0 | 0 | 109.9 | T826 D827 L832 R833 M834 | T826-I830 WeakPolarHBondContact O-CB 3.4Å; T826-I830 WeakPolarHBondContact O-CD1 3.24Å; T826-I830 VanDerWaalsContact O-CG1 3.24Å; T826-I830 WeakPolarHBondContact O-CG1 3.36Å; T826-I830 PolarHBondContact O-N 3.11Å; D827-I830 PolarHBondContact O-N 2.95Å; I830-L832 PolarHBondContact O-N 3.41Å; I830-R833 PolarHBondContact O-N 2.95Å; I830-M834 WeakPolarHBondContact O-CB 3.36Å; I830-M834 PolarHBondContact O-N 2.89Å |
| 831 | H | 90.1 | Very high | 88.1 | Confident | 64 Ų | 64 | 51.1 Ų | 51.1 | 30% | 0.296 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.3 | -46 | 175.1 | -173.7 | 104.9 | 0 | 0 | 0 | 112.2 | D827 T828 L829 R833 M834 M835 M903 | D827-H831 WeakPolarHBondContact O-CB 3.36Å; D827-H831 PolarHBondContact O-N 3.27Å; T828-H831 PolarHBondContact O-N 3.21Å; L829-H831 VanDerWaalsContact C-N 3.31Å; L829-H831 PolarHBondContact O-N 3.39Å; H831-R833 PolarHBondContact O-N 3Å; H831-M834 PolarHBondContact O-N 3.08Å; H831-M835 WeakPolarHBondContact NE2-CG 3.5Å; H831-M835 WeakPolarHBondContact O-CG 3.31Å; H831-M835 PolarHBondContact O-N 3.15Å; H831-M903 VanDerWaalsContact CD2-CE 3.4Å; H831-M903 WeakPolarHBondContact CD2-CE 3.34Å; H831-M903 WeakPolarHBondContact NE2-CE 3.13Å |
| 832 | L | 92.1 | Very high | 89.2 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.005 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -64.1 | -37.6 | 178.8 | -69.8 | 170.3 | 0 | 0 | 0 | 112.8 | T828 L829 I830 L836 S900 A904 L913 V922 L926 | T828-L832 HydrophobicContact CG2-CD1 4.29Å; T828-L832 WeakPolarHBondContact O-CG 3.42Å; T828-L832 PolarHBondContact O-N 3.01Å; L829-L832 PolarHBondContact O-N 3.27Å; I830-L832 PolarHBondContact O-N 3.41Å; L832-L836 WeakPolarHBondContact O-CB 3.29Å; L832-L836 PolarHBondContact O-N 2.95Å; L832-L836 VanDerWaalsContact O-N 3.08Å; L832-S900 WeakPolarHBondContact CD2-O 3.13Å; L832-A904 HydrophobicContact CD1-CB 3.83Å; L832-A904 HydrophobicContact CD2-CB 4.12Å; L832-L913 HydrophobicContact CD1-CD2 3.73Å; L832-V922 HydrophobicContact CB-CG1 3.84Å; L832-L926 HydrophobicContact CB-CD1 4.5Å; L832-L926 HydrophobicContact CD2-CD1 4.04Å |
| 833 | R | 92.6 | Very high | 89.9 | Confident | 102 Ų | 102 | 43.1 Ų | 43.1 | 39% | 0.385 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -66.4 | -42.8 | 173.4 | -71.5 | 177.6 | -175.3 | 167 | 8.9 | 111.8 | E818 L829 I830 H831 L836 S837 A918 V922 | E818-R833 IonicContact OE1-NH2 3.34Å; E818-R833 IonicContact OE2-CZ 2.78Å; E818-R833 IonicContact OE2-NH1 2.58Å; E818-R833 IonicContact OE2-NH2 3.16Å; E818-R833 PolarHBondContact OE2-NH2 3.38Å; L829-R833 HydrophobicContact CD1-CG 4.37Å; L829-R833 WeakPolarHBondContact O-CG 3.48Å; L829-R833 PolarHBondContact O-N 2.92Å; I830-R833 PolarHBondContact O-N 2.95Å; H831-R833 PolarHBondContact O-N 3Å; R833-L836 PolarHBondContact O-N 3.16Å; R833-S837 PolarHBondContact O-N 2.93Å; R833-A918 VanDerWaalsContact NH2-CB 3.31Å; R833-V922 HydrophobicContact CG-CG2 3.73Å |
| 834 | M | 91.4 | Very high | 90.4 | Very high | 32 Ų | 32 | 37.4 Ų | 37.4 | 16% | 0.158 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | 177.2 | 173.9 | -91.3 | 153.1 | 0 | 0 | 111.7 | I830 H831 L836 S837 F838 K1006 | I830-M834 WeakPolarHBondContact O-CB 3.36Å; I830-M834 PolarHBondContact O-N 2.89Å; H831-M834 PolarHBondContact O-N 3.08Å; M834-L836 PolarHBondContact O-N 3.33Å; M834-S837 PolarHBondContact O-N 3.16Å; M834-F838 HydrophobicContact CE-CB 4.1Å; M834-F838 HydrophobicContact CE-CG 4.46Å; M834-F838 WeakPolarHBondContact O-CB 3.41Å; M834-F838 PolarHBondContact O-N 2.93Å; M834-K1006 HydrophobicContact CE-CD 4.11Å; M834-K1006 HydrophobicContact SD-CD 4.14Å; M834-K1006 PolarHBondContact SD-NZ 2.97Å |
| 835 | M | 92.1 | Very high | 90.7 | Very high | 10 Ų | 10 | 33.7 Ų | 33.7 | 5% | 0.049 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -63.9 | -40.6 | 176.3 | -75.7 | -56.2 | -56.3 | 0 | 0 | 112.5 | H831 F838 T839 L896 | H831-M835 WeakPolarHBondContact NE2-CG 3.5Å; H831-M835 WeakPolarHBondContact O-CG 3.31Å; H831-M835 PolarHBondContact O-N 3.15Å; M835-F838 HydrophobicContact CE-CD1 4.15Å; M835-F838 PolarHBondContact O-N 2.9Å; M835-F838 HydrophobicContact SD-CD1 4.44Å; M835-T839 WeakPolarHBondContact O-CG2 3.37Å; M835-T839 PolarHBondContact O-N 3.36Å; M835-T839 PolarHBondContact O-OG1 2.87Å; M835-L896 HydrophobicContact CE-CB 3.9Å; M835-L896 HydrophobicContact CE-CD1 4.38Å; M835-L896 HydrophobicContact CE-CD2 4.16Å; M835-L896 HydrophobicContact CE-CG 4.36Å |
| 836 | L | 92.3 | Very high | 90.8 | Very high | 26 Ų | 26 | 33.6 Ų | 33.6 | 14% | 0.136 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.3 | -48.9 | 173.2 | 178.9 | 61.9 | 0 | 0 | 0 | 111.1 | L832 R833 M834 F838 T839 D840 L926 R929 | L832-L836 WeakPolarHBondContact O-CB 3.29Å; L832-L836 PolarHBondContact O-N 2.95Å; L832-L836 VanDerWaalsContact O-N 3.08Å; R833-L836 PolarHBondContact O-N 3.16Å; M834-L836 PolarHBondContact O-N 3.33Å; L836-F838 PolarHBondContact O-N 3.18Å; L836-T839 WeakPolarHBondContact CA-OG1 3.37Å; L836-T839 PolarHBondContact O-N 3.49Å; L836-T839 PolarHBondContact O-OG1 2.99Å; L836-D840 WeakPolarHBondContact O-CB 3.44Å; L836-D840 PolarHBondContact O-N 3.48Å; L836-L926 HydrophobicContact CB-CD2 3.89Å; L836-L926 HydrophobicContact CB-CG 4.44Å; L836-L926 HydrophobicContact CD1-CD2 3.97Å; L836-L926 HydrophobicContact CD1-CG 4.32Å; L836-L926 HydrophobicContact CG-CD2 4.48Å; L836-R929 HydrophobicContact CD1-CG 4.13Å |
| 837 | S | 92.3 | Very high | 90.8 | Very high | 52 Ų | 52 | 35.5 Ų | 35.5 | 36% | 0.364 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.5 | -39.6 | 179.7 | -166.2 | 0 | 0 | 0 | 0 | 113.1 | R833 M834 D840 C841 M999 | R833-S837 PolarHBondContact O-N 2.93Å; M834-S837 PolarHBondContact O-N 3.16Å; S837-D840 PolarHBondContact O-N 3.39Å; S837-C841 PolarHBondContact O-N 3.27Å; S837-C841 PolarHBondContact O-SG 2.9Å; S837-C841 VanDerWaalsContact O-SG 3.4Å; S837-M999 VanDerWaalsContact C-SD 3.56Å; S837-M999 WeakPolarHBondContact OG-CE 3.35Å |
| 838 | F | 93.5 | Very high | 90.4 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -46.2 | 174.2 | 176.6 | -127.8 | 0 | 0 | 0 | 111.7 | M834 M835 L836 D840 C841 I842 L896 I967 M999 L1000 I1007 | M834-F838 HydrophobicContact CE-CB 4.1Å; M834-F838 HydrophobicContact CE-CG 4.46Å; M834-F838 WeakPolarHBondContact O-CB 3.41Å; M834-F838 PolarHBondContact O-N 2.93Å; M835-F838 HydrophobicContact CE-CD1 4.15Å; M835-F838 PolarHBondContact O-N 2.9Å; M835-F838 HydrophobicContact SD-CD1 4.44Å; L836-F838 PolarHBondContact O-N 3.18Å; F838-D840 VanDerWaalsContact C-N 3.3Å; F838-D840 PolarHBondContact O-N 3.4Å; F838-C841 PolarHBondContact O-N 2.83Å; F838-I842 HydrophobicContact CD1-CD1 4.19Å; F838-I842 HydrophobicContact CD2-CD1 4.45Å; F838-I842 HydrophobicContact CE1-CD1 3.87Å; F838-I842 HydrophobicContact CE2-CD1 4.14Å; F838-I842 HydrophobicContact CE2-CG1 4.45Å; F838-I842 HydrophobicContact CG-CD1 4.48Å; F838-I842 HydrophobicContact CZ-CD1 3.83Å; F838-I842 WeakPolarHBondContact O-CG1 3.4Å; F838-I842 PolarHBondContact O-N 3.06Å; F838-I842 VanDerWaalsContact O-N 3.16Å; F838-L896 HydrophobicContact CD1-CD1 4.22Å; F838-L896 HydrophobicContact CE1-CD1 3.76Å; F838-I967 HydrophobicContact CE2-CG2 4.11Å; F838-I967 HydrophobicContact CZ-CD1 4.24Å; F838-I967 HydrophobicContact CZ-CG2 4.32Å; F838-M999 HydrophobicContact CB-SD 4.42Å; F838-L1000 HydrophobicContact CD2-CD2 4.04Å; F838-L1000 HydrophobicContact CE2-CD2 3.97Å; F838-L1000 WeakPolarHBondContact CE2-O 3.31Å; F838-I1007 HydrophobicContact CE1-CD1 4.36Å; F838-I1007 HydrophobicContact CE1-CG2 4.42Å; F838-I1007 HydrophobicContact CZ-CD1 4.17Å |
| 839 | T | 93.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.4 | -32.3 | 176.7 | 53.5 | 0 | 0 | 0 | 0 | 112.8 | M835 L836 C841 I842 L843 L896 L897 | M835-T839 WeakPolarHBondContact O-CG2 3.37Å; M835-T839 PolarHBondContact O-N 3.36Å; M835-T839 PolarHBondContact O-OG1 2.87Å; L836-T839 WeakPolarHBondContact CA-OG1 3.37Å; L836-T839 PolarHBondContact O-N 3.49Å; L836-T839 PolarHBondContact O-OG1 2.99Å; T839-C841 VanDerWaalsContact C-N 3.34Å; T839-C841 PolarHBondContact O-N 2.93Å; T839-I842 PolarHBondContact O-N 2.74Å; T839-L843 VanDerWaalsContact O-CG 3.26Å; T839-L843 WeakPolarHBondContact O-CG 3.26Å; T839-L843 PolarHBondContact O-N 2.86Å; T839-L896 HydrophobicContact CG2-CB 3.86Å; T839-L896 HydrophobicContact CG2-CD1 4.38Å; T839-L897 HydrophobicContact CG2-CD2 4.06Å; T839-L897 HydrophobicContact CG2-CG 3.97Å; T839-L897 WeakPolarHBondContact OG1-CD2 3.24Å |
| 840 | D | 93.3 | Very high | 88.3 | Confident | 41 Ų | 41 | 42.6 Ų | 42.6 | 22% | 0.219 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.3 | -38.2 | 174.8 | -83.2 | 13.2 | 0 | 0 | 0 | 112 | L836 S837 F838 L843 E844 R929 | L836-D840 WeakPolarHBondContact O-CB 3.44Å; L836-D840 PolarHBondContact O-N 3.48Å; S837-D840 PolarHBondContact O-N 3.39Å; F838-D840 VanDerWaalsContact C-N 3.3Å; F838-D840 PolarHBondContact O-N 3.4Å; D840-L843 PolarHBondContact O-N 3.14Å; D840-E844 PolarHBondContact O-N 3.11Å; D840-R929 IonicContact OD1-CZ 2.71Å; D840-R929 IonicContact OD1-NE 3.61Å; D840-R929 IonicContact OD1-NH1 3.73Å; D840-R929 PolarHBondContact OD1-NH1 2.71Å; D840-R929 IonicContact OD1-NH2 3.13Å; D840-R929 IonicContact OD2-CZ 3.29Å; D840-R929 IonicContact OD2-NH1 2.62Å; D840-R929 PolarHBondContact OD2-NH1 3.27Å; D840-R929 VanDerWaalsContact OD2-NH1 3.13Å; D840-R929 IonicContact OD2-NH2 3.95Å; D840-R929 PolarHBondContact OD2-NH2 2.98Å |
| 841 | C | 91.9 | Very high | 86.5 | Confident | 9 Ų | 9 | 39.3 Ų | 39.3 | 6% | 0.061 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -67.1 | -37.7 | 172.6 | -63.3 | 0 | 0 | 0 | 0 | 112.5 | S837 F838 T839 L843 E844 M845 M999 L1000 | S837-C841 PolarHBondContact O-N 3.27Å; S837-C841 PolarHBondContact O-SG 2.9Å; S837-C841 VanDerWaalsContact O-SG 3.4Å; F838-C841 PolarHBondContact O-N 2.83Å; T839-C841 VanDerWaalsContact C-N 3.34Å; T839-C841 PolarHBondContact O-N 2.93Å; C841-L843 VanDerWaalsContact C-N 3.28Å; C841-L843 PolarHBondContact O-N 3.43Å; C841-E844 PolarHBondContact O-N 3.36Å; C841-M845 WeakPolarHBondContact O-CG 3.3Å; C841-M845 PolarHBondContact O-N 3.44Å; C841-M999 VanDerWaalsContact SG-CE 3.56Å; C841-L1000 HydrophobicContact CB-CD2 3.72Å; C841-L1000 HydrophobicContact CB-CG 4.42Å |
| 842 | I | 92.9 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -63 | -36.7 | 174.2 | -64.4 | 168.6 | 0 | 0 | 0 | 111 | F838 T839 M845 A846 L889 A893 L896 I967 | F838-I842 HydrophobicContact CD1-CD1 4.19Å; F838-I842 HydrophobicContact CD2-CD1 4.45Å; F838-I842 HydrophobicContact CE1-CD1 3.87Å; F838-I842 HydrophobicContact CE2-CD1 4.14Å; F838-I842 HydrophobicContact CE2-CG1 4.45Å; F838-I842 HydrophobicContact CG-CD1 4.48Å; F838-I842 HydrophobicContact CZ-CD1 3.83Å; F838-I842 WeakPolarHBondContact O-CG1 3.4Å; F838-I842 PolarHBondContact O-N 3.06Å; F838-I842 VanDerWaalsContact O-N 3.16Å; T839-I842 PolarHBondContact O-N 2.74Å; I842-M845 WeakPolarHBondContact O-CB 3.3Å; I842-M845 PolarHBondContact O-N 2.98Å; I842-A846 PolarHBondContact O-N 3.41Å; I842-L889 HydrophobicContact CG2-CB 4.21Å; I842-L889 HydrophobicContact CG2-CD2 4.16Å; I842-A893 HydrophobicContact CG2-CB 4.07Å; I842-L896 HydrophobicContact CD1-CD1 3.97Å; I842-I967 HydrophobicContact CD1-CD1 3.64Å; I842-I967 HydrophobicContact CD1-CG1 4.48Å; I842-I967 HydrophobicContact CG1-CD1 3.83Å; I842-I967 HydrophobicContact CG1-CG1 4.14Å |
| 843 | L | 91.6 | Very high | 81.9 | Confident | 18 Ų | 18 | 43.7 Ų | 43.7 | 9% | 0.094 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -70.2 | -37.8 | 176.7 | -67.2 | 168.3 | 0 | 0 | 0 | 112.1 | T839 D840 C841 A846 T847 Y890 A893 R929 C933 | T839-L843 VanDerWaalsContact O-CG 3.26Å; T839-L843 WeakPolarHBondContact O-CG 3.26Å; T839-L843 PolarHBondContact O-N 2.86Å; D840-L843 PolarHBondContact O-N 3.14Å; C841-L843 VanDerWaalsContact C-N 3.28Å; C841-L843 PolarHBondContact O-N 3.43Å; L843-A846 PolarHBondContact O-N 3.01Å; L843-T847 PolarHBondContact O-N 2.93Å; L843-T847 PolarHBondContact O-OG1 2.87Å; L843-Y890 HydrophobicContact CD2-CD1 3.49Å; L843-Y890 VanDerWaalsContact CD2-CD1 3.49Å; L843-Y890 HydrophobicContact CD2-CE1 3.46Å; L843-Y890 VanDerWaalsContact CD2-CE1 3.46Å; L843-A893 HydrophobicContact CD2-CB 4.09Å; L843-A893 HydrophobicContact CG-CB 4.42Å; L843-R929 HydrophobicContact CD1-CB 4.33Å; L843-R929 HydrophobicContact CD1-CG 4.45Å; L843-C933 VanDerWaalsContact CD2-SG 3.57Å |
| 844 | E | 90.8 | Very high | 78.9 | Confident | 78 Ų | 78 | 46.2 Ų | 46.2 | 36% | 0.364 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.5 | -45.3 | 172.7 | -166.3 | -172.2 | 139.2 | 0 | 0 | 111.4 | D840 C841 A846 T847 L848 K996 | D840-E844 PolarHBondContact O-N 3.11Å; C841-E844 PolarHBondContact O-N 3.36Å; E844-A846 VanDerWaalsContact C-N 3.3Å; E844-A846 PolarHBondContact O-N 3.41Å; E844-T847 WeakPolarHBondContact CA-OG1 3.49Å; E844-T847 PolarHBondContact O-N 3.36Å; E844-T847 VanDerWaalsContact O-N 3.08Å; E844-T847 PolarHBondContact O-OG1 3.42Å; E844-L848 WeakPolarHBondContact O-CG 3.41Å; E844-L848 PolarHBondContact O-N 2.89Å; E844-K996 IonicContact OE1-NZ 2.72Å; E844-K996 PolarHBondContact OE1-NZ 3.34Å; E844-K996 IonicContact OE2-NZ 2.68Å; E844-K996 PolarHBondContact OE2-NZ 2.99Å |
| 845 | M | 88.8 | Confident | 76.3 | Confident | 13 Ų | 13 | 53.3 Ų | 53.3 | 6% | 0.064 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54.6 | -45.2 | 172 | -71.1 | 174.1 | 56.2 | 0 | 0 | 112.2 | C841 I842 T847 L848 R849 L889 L966 I967 H970 L1000 | C841-M845 WeakPolarHBondContact O-CG 3.3Å; C841-M845 PolarHBondContact O-N 3.44Å; I842-M845 WeakPolarHBondContact O-CB 3.3Å; I842-M845 PolarHBondContact O-N 2.98Å; M845-T847 VanDerWaalsContact C-N 3.33Å; M845-T847 PolarHBondContact O-N 2.99Å; M845-L848 PolarHBondContact O-N 3.29Å; M845-R849 PolarHBondContact O-N 3.42Å; M845-R849 VanDerWaalsContact O-N 3.11Å; M845-L889 HydrophobicContact CB-CD1 4.17Å; M845-L889 HydrophobicContact CE-CD1 4.36Å; M845-L889 HydrophobicContact CE-CD2 4.05Å; M845-L966 HydrophobicContact CE-CB 4.46Å; M845-L966 WeakPolarHBondContact CE-O 3.12Å; M845-I967 HydrophobicContact CE-CG1 4.28Å; M845-I967 HydrophobicContact SD-CG1 4.36Å; M845-H970 HydrophobicContact CE-CB 3.53Å; M845-H970 HydrophobicContact CG-CB 4.46Å; M845-H970 WeakPolarHBondContact CG-CD2 3.42Å; M845-H970 HydrophobicContact SD-CB 3.93Å; M845-H970 VanDerWaalsContact SD-CD2 3.55Å; M845-L1000 HydrophobicContact SD-CD2 4.49Å |
| 846 | A | 88.4 | Confident | 73.4 | Confident | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -65.5 | -34 | 178 | 0 | 0 | 0 | 0 | 0 | 112.3 | I842 L843 E844 A850 Q886 L889 Y890 | I842-A846 PolarHBondContact O-N 3.41Å; L843-A846 PolarHBondContact O-N 3.01Å; E844-A846 VanDerWaalsContact C-N 3.3Å; E844-A846 PolarHBondContact O-N 3.41Å; A846-A850 PolarHBondContact O-N 2.94Å; A846-Q886 WeakPolarHBondContact O-CG 3.48Å; A846-Q886 PolarHBondContact O-NE2 2.96Å; A846-L889 HydrophobicContact CB-CB 4.07Å; A846-L889 HydrophobicContact CB-CD1 4.33Å; A846-Y890 HydrophobicContact CB-CD1 4.43Å; A846-Y890 HydrophobicContact CB-CD2 4.06Å; A846-Y890 HydrophobicContact CB-CE1 4.07Å; A846-Y890 HydrophobicContact CB-CE2 3.66Å; A846-Y890 HydrophobicContact CB-CG 4.41Å |
| 847 | T | 85.8 | Confident | 70.6 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 49% | 0.485 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -72.3 | -36.4 | 172.7 | 56.1 | 0 | 0 | 0 | 0 | 113.2 | L843 E844 M845 R849 A850 | L843-T847 PolarHBondContact O-N 2.93Å; L843-T847 PolarHBondContact O-OG1 2.87Å; E844-T847 WeakPolarHBondContact CA-OG1 3.49Å; E844-T847 PolarHBondContact O-N 3.36Å; E844-T847 VanDerWaalsContact O-N 3.08Å; E844-T847 PolarHBondContact O-OG1 3.42Å; M845-T847 VanDerWaalsContact C-N 3.33Å; M845-T847 PolarHBondContact O-N 2.99Å; T847-R849 VanDerWaalsContact C-N 3.31Å; T847-R849 PolarHBondContact O-N 3.3Å; T847-A850 WeakPolarHBondContact O-CB 3.49Å; T847-A850 PolarHBondContact O-N 2.92Å |
| 848 | L | 79.5 | Confident | 67.7 | Low | 103 Ų | 103 | 65.6 Ų | 65.6 | 54% | 0.539 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -61.8 | -39.2 | 174.8 | -70.8 | 169.8 | 0 | 0 | 0 | 111.7 | E844 M845 A850 G851 | E844-L848 WeakPolarHBondContact O-CG 3.41Å; E844-L848 PolarHBondContact O-N 2.89Å; M845-L848 PolarHBondContact O-N 3.29Å; L848-A850 PolarHBondContact O-N 3.16Å; L848-G851 PolarHBondContact O-N 3.26Å; L848-G851 VanDerWaalsContact O-N 3.15Å |
| 849 | R | 72.5 | Confident | 64.6 | Low | 102 Ų | 102 | 69.2 Ų | 69.2 | 39% | 0.385 | 44% | 0.435 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.6 | 173.2 | -66.4 | -54.2 | -153.4 | -116.1 | 0.9 | 114.5 | M845 T847 E885 Q886 | M845-R849 PolarHBondContact O-N 3.42Å; M845-R849 VanDerWaalsContact O-N 3.11Å; T847-R849 VanDerWaalsContact C-N 3.31Å; T847-R849 PolarHBondContact O-N 3.3Å; R849-E885 IonicContact CZ-OE2 3.64Å; R849-E885 IonicContact NE-OE2 3.07Å; R849-E885 PolarHBondContact NE-OE2 3.07Å; R849-E885 IonicContact NH2-OE2 3.03Å; R849-E885 PolarHBondContact NH2-OE2 3.43Å; R849-Q886 HydrophobicContact CB-CG 3.88Å |
| 850 | A | 59.4 | Low | 61.4 | Low | 60 Ų | 60 | 73.8 Ų | 73.8 | 50% | 0.496 | 47% | 0.473 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -28.4 | 169.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | A846 T847 L848 G852 | A846-A850 PolarHBondContact O-N 2.94Å; T847-A850 WeakPolarHBondContact O-CB 3.49Å; T847-A850 PolarHBondContact O-N 2.92Å; L848-A850 PolarHBondContact O-N 3.16Å; A850-G852 PolarHBondContact O-N 3.28Å |
| 851 | G | 50.9 | Low | 58.5 | Low | 36 Ų | 36 | 77.3 Ų | 77.3 | 37% | 0.371 | 50% | 0.498 | S | S | . | . | trans | -75.9 | 9.4 | -160 | 0 | 0 | 0 | 0 | 0 | 117 | L848 A853 E854 | L848-G851 PolarHBondContact O-N 3.26Å; L848-G851 VanDerWaalsContact O-N 3.15Å; G851-A853 PolarHBondContact O-N 3.5Å; G851-E854 PolarHBondContact O-N 3.07Å | ||
| 852 | G | 44.8 | Very low | 55.7 | Low | 84 Ų | 84 | 84.8 Ų | 84.8 | 87% | 0.866 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | 18.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | A850 | A850-G852 PolarHBondContact O-N 3.28Š|
| 853 | A | 40.7 | Very low | 52.8 | Low | 72 Ų | 72 | 94.9 Ų | 94.9 | 60% | 0.595 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.8 | -29.6 | 178 | 0 | 0 | 0 | 0 | 0 | 114.1 | G851 | G851-A853 PolarHBondContact O-N 3.5Š|
| 854 | E | 31.6 | Very low | 50.2 | Low | 155 Ų | 155 | 99.1 Ų | 99.1 | 72% | 0.724 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115 | -23.8 | -167.1 | -65.6 | -162.2 | 168.6 | 0 | 0 | 115.7 | G851 G856 M857 | G851-E854 PolarHBondContact O-N 3.07Å; E854-G856 PolarHBondContact O-N 2.9Å; E854-M857 PolarHBondContact O-N 3.22Å |
| 855 | L | 35 | Very low | 47.8 | Very low | 181 Ų | 181 | 100.5 Ų | 100.5 | 95% | 0.948 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | 13.4 | 166.2 | -101.5 | 76.3 | 0 | 0 | 0 | 113.6 | ||
| 856 | G | 31.2 | Very low | 45.3 | Very low | 63 Ų | 63 | 108.6 Ų | 108.6 | 65% | 0.649 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.7 | -4.8 | 172.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | E854 S858 | E854-G856 PolarHBondContact O-N 2.9Å; G856-S858 PolarHBondContact O-N 3.34Å |
| 857 | M | 33.4 | Very low | 43.1 | Very low | 160 Ų | 160 | 115.3 Ų | 115.3 | 79% | 0.788 | 69% | 0.694 | S | S | * | * | trans | -84.7 | 68.5 | -171.4 | -73.5 | -169.4 | 65.5 | 0 | 0 | 114.4 | E854 | E854-M857 PolarHBondContact O-N 3.22Š| ||
| 858 | S | 31.9 | Very low | 41.1 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 87% | 0.867 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -145.4 | 42.1 | 158.2 | -155.8 | 0 | 0 | 0 | 0 | 113.2 | G856 | G856-S858 PolarHBondContact O-N 3.34Š|
| 859 | A | 29.6 | Very low | 39.7 | Very low | 76 Ų | 76 | 114 Ų | 114 | 63% | 0.628 | 69% | 0.693 | S | S | * | * | trans | -159.9 | 78.1 | 166 | 0 | 0 | 0 | 0 | 0 | 110.9 | P861 | A859-P861 WeakPolarHBondContact O-CD 3.49Š| ||
| 860 | A | 25.2 | Very low | 38.5 | Very low | 95 Ų | 95 | 113.5 Ų | 113.5 | 79% | 0.785 | 70% | 0.701 | S | S | * | * | trans | -64.3 | 124.5 | 167.7 | 0 | 0 | 0 | 0 | 0 | 109.3 | L862 | A860-L862 PolarHBondContact O-N 3.41Š| ||
| 861 | P | 32.9 | Very low | 37.9 | Very low | 116 Ų | 116 | 116.6 Ų | 116.6 | 75% | 0.753 | 71% | 0.707 | S | S | * | * | trans | -76.1 | 109.7 | -177.3 | 29 | -32.9 | 0 | 0 | 0 | 110.9 | A859 Y863 | A859-P861 WeakPolarHBondContact O-CD 3.49Å; P861-Y863 PolarHBondContact O-N 2.81Å | ||
| 862 | L | 32.4 | Very low | 38 | Very low | 166 Ų | 166 | 120.6 Ų | 120.6 | 87% | 0.869 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -77.7 | 49.4 | 172.4 | -79.7 | 171.4 | 0 | 0 | 0 | 112.9 | A860 | A860-L862 PolarHBondContact O-N 3.41Š|
| 863 | Y | 33.2 | Very low | 38.4 | Very low | 211 Ų | 211 | 122 Ų | 122 | 83% | 0.827 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -156.1 | 148.6 | 160.6 | -81.9 | -60.8 | 0 | 0 | 0 | 109.7 | P861 | P861-Y863 PolarHBondContact O-N 2.81Š|
| 864 | P | 35.7 | Very low | 39.2 | Very low | 108 Ų | 108 | 123.3 Ų | 123.3 | 70% | 0.701 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 152.2 | -179.8 | 29.3 | -35.1 | 0 | 0 | 0 | 111.7 | ||
| 865 | P | 41.1 | Very low | 40.6 | Very low | 107 Ų | 107 | 119.5 Ų | 119.5 | 70% | 0.695 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -65.8 | 145.3 | -179.6 | 28.3 | -34.8 | 0 | 0 | 0 | 112 | ||
| 866 | Q | 36.1 | Very low | 41.8 | Very low | 183 Ų | 183 | 115 Ų | 115 | 86% | 0.855 | 66% | 0.664 | S | S | * | * | P | Polyproline II helix | trans | -94 | 119.2 | 155 | -75.9 | -77.7 | -11 | 0 | 0 | 106.3 | S868 | Q866-S868 VanDerWaalsContact C-N 3.31Å; Q866-S868 PolarHBondContact O-N 2.84Å |
| 867 | D | 41.2 | Very low | 43.3 | Very low | 140 Ų | 140 | 114.7 Ų | 114.7 | 75% | 0.749 | 65% | 0.647 | S | S | * | * | trans | -69.7 | 78.7 | -168.4 | -65.9 | -42.9 | 0 | 0 | 0 | 113.2 | V869 | D867-V869 PolarHBondContact O-N 3.33Š| ||
| 868 | S | 45.2 | Very low | 44.9 | Very low | 63 Ų | 63 | 111.1 Ų | 111.1 | 44% | 0.441 | 64% | 0.638 | S | S | . | * | trans | -87.3 | 85.7 | 173.3 | -169.8 | 0 | 0 | 0 | 0 | 110.4 | Q866 V870 M871 | Q866-S868 VanDerWaalsContact C-N 3.31Å; Q866-S868 PolarHBondContact O-N 2.84Å; S868-V870 PolarHBondContact O-N 3.19Å; S868-M871 PolarHBondContact O-N 2.94Å | ||
| 869 | V | 50.4 | Low | 46.9 | Very low | 92 Ų | 92 | 111.2 Ų | 111.2 | 56% | 0.558 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -47.6 | -29.3 | 178.7 | -178.5 | 0 | 0 | 0 | 0 | 113 | D867 Q873 | D867-V869 PolarHBondContact O-N 3.33Å; V869-Q873 WeakPolarHBondContact O-CB 3.33Å; V869-Q873 VanDerWaalsContact O-CG 3.24Å; V869-Q873 WeakPolarHBondContact O-CG 3.45Å; V869-Q873 PolarHBondContact O-N 3.47Å; V869-Q873 VanDerWaalsContact O-N 3.11Å |
| 870 | V | 47.3 | Very low | 49 | Very low | 92 Ų | 92 | 109.5 Ų | 109.5 | 56% | 0.558 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.3 | -36.3 | 177.9 | -176 | 0 | 0 | 0 | 0 | 112.7 | S868 I874 | S868-V870 PolarHBondContact O-N 3.19Å; V870-I874 HydrophobicContact CG1-CD1 4.05Å; V870-I874 VanDerWaalsContact O-CG1 3.3Å; V870-I874 WeakPolarHBondContact O-CG1 3.29Å; V870-I874 PolarHBondContact O-N 3.28Å |
| 871 | M | 45.7 | Very low | 51.4 | Low | 124 Ų | 124 | 108.6 Ų | 108.6 | 61% | 0.611 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -72.4 | -40.6 | 179.3 | -76.2 | -67.3 | -179.1 | 0 | 0 | 112.1 | S868 Q873 I874 S875 | S868-M871 PolarHBondContact O-N 2.94Å; M871-Q873 VanDerWaalsContact C-N 3.34Å; M871-I874 PolarHBondContact O-N 3.09Å; M871-S875 WeakPolarHBondContact O-CB 3.21Å; M871-S875 PolarHBondContact O-N 2.92Å; M871-S875 PolarHBondContact O-OG 3.25Å |
| 872 | D | 54.3 | Low | 53.7 | Low | 120 Ų | 120 | 103.9 Ų | 103.9 | 64% | 0.642 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.3 | -40.6 | 174.3 | -79.2 | 0.5 | 0 | 0 | 0 | 111 | I874 S875 Q876 | D872-I874 PolarHBondContact O-N 2.83Å; D872-S875 PolarHBondContact O-N 3.42Å; D872-Q876 WeakPolarHBondContact O-CB 3.43Å; D872-Q876 PolarHBondContact O-N 3.01Å |
| 873 | Q | 52.5 | Low | 56.2 | Low | 114 Ų | 114 | 97.7 Ų | 97.7 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 174.1 | -76.8 | 174.9 | 2.4 | 0 | 0 | 112.6 | V869 M871 L877 | V869-Q873 WeakPolarHBondContact O-CB 3.33Å; V869-Q873 VanDerWaalsContact O-CG 3.24Å; V869-Q873 WeakPolarHBondContact O-CG 3.45Å; V869-Q873 PolarHBondContact O-N 3.47Å; V869-Q873 VanDerWaalsContact O-N 3.11Å; M871-Q873 VanDerWaalsContact C-N 3.34Å; Q873-L877 VanDerWaalsContact O-CB 3.29Å; Q873-L877 WeakPolarHBondContact O-CB 3.33Å; Q873-L877 WeakPolarHBondContact O-CG 3.33Å; Q873-L877 PolarHBondContact O-N 3.48Å |
| 874 | I | 56.7 | Low | 58.6 | Low | 100 Ų | 100 | 88 Ų | 88 | 51% | 0.513 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.7 | -68.9 | 164.7 | 0 | 0 | 0 | 111.2 | V870 M871 D872 L877 S878 | V870-I874 HydrophobicContact CG1-CD1 4.05Å; V870-I874 VanDerWaalsContact O-CG1 3.3Å; V870-I874 WeakPolarHBondContact O-CG1 3.29Å; V870-I874 PolarHBondContact O-N 3.28Å; M871-I874 PolarHBondContact O-N 3.09Å; D872-I874 PolarHBondContact O-N 2.83Å; I874-L877 PolarHBondContact O-N 2.9Å; I874-S878 WeakPolarHBondContact O-CB 3.4Å; I874-S878 PolarHBondContact O-N 3.42Å |
| 875 | S | 61 | Low | 61 | Low | 75 Ų | 75 | 84.2 Ų | 84.2 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 178.7 | -59.1 | 0 | 0 | 0 | 0 | 112.3 | M871 D872 S878 K879 | M871-S875 WeakPolarHBondContact O-CB 3.21Å; M871-S875 PolarHBondContact O-N 2.92Å; M871-S875 PolarHBondContact O-OG 3.25Å; D872-S875 PolarHBondContact O-N 3.42Å; S875-S878 PolarHBondContact O-N 2.9Å; S875-K879 WeakPolarHBondContact O-CB 3.32Å; S875-K879 PolarHBondContact O-N 3.18Å |
| 876 | Q | 61.8 | Low | 63.3 | Low | 86 Ų | 86 | 80 Ų | 80 | 40% | 0.402 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -66.5 | -45.6 | 175.7 | -178.8 | 61.4 | 19.6 | 0 | 0 | 111.3 | D872 S878 K879 E880 | D872-Q876 WeakPolarHBondContact O-CB 3.43Å; D872-Q876 PolarHBondContact O-N 3.01Å; Q876-S878 VanDerWaalsContact C-N 3.33Å; Q876-S878 PolarHBondContact O-N 2.87Å; Q876-K879 WeakPolarHBondContact O-CB 3.46Å; Q876-K879 PolarHBondContact O-N 3.28Å; Q876-E880 WeakPolarHBondContact CG-OE1 3.47Å; Q876-E880 PolarHBondContact NE2-OE1 3.32Å; Q876-E880 WeakPolarHBondContact O-CG 3.43Å; Q876-E880 PolarHBondContact O-N 3.45Å |
| 877 | L | 61.9 | Low | 65.8 | Low | 57 Ų | 57 | 71.9 Ų | 71.9 | 30% | 0.298 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -41.8 | 175 | -76.6 | 172.1 | 0 | 0 | 0 | 112.3 | Q873 I874 E880 W881 F947 | Q873-L877 VanDerWaalsContact O-CB 3.29Å; Q873-L877 WeakPolarHBondContact O-CB 3.33Å; Q873-L877 WeakPolarHBondContact O-CG 3.33Å; Q873-L877 PolarHBondContact O-N 3.48Å; I874-L877 PolarHBondContact O-N 2.9Å; L877-E880 PolarHBondContact O-N 3.39Å; L877-W881 WeakPolarHBondContact O-CB 3.41Å; L877-W881 PolarHBondContact O-N 2.96Å; L877-F947 HydrophobicContact CD2-CE2 4.14Å |
| 878 | S | 67.3 | Low | 68.1 | Low | 85 Ų | 85 | 66.9 Ų | 66.9 | 59% | 0.594 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -62 | -42.4 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 112.1 | I874 S875 Q876 E880 W881 G882 | I874-S878 WeakPolarHBondContact O-CB 3.4Å; I874-S878 PolarHBondContact O-N 3.42Å; S875-S878 PolarHBondContact O-N 2.9Å; Q876-S878 VanDerWaalsContact C-N 3.33Å; Q876-S878 PolarHBondContact O-N 2.87Å; S878-E880 VanDerWaalsContact C-N 3.34Å; S878-E880 PolarHBondContact O-N 3.36Å; S878-W881 PolarHBondContact O-N 3.5Å; S878-G882 PolarHBondContact O-N 3.45Å |
| 879 | K | 72.9 | Confident | 70.3 | Confident | 126 Ų | 126 | 64 Ų | 64 | 55% | 0.548 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -67.1 | -32 | 176.1 | -177.5 | -179.1 | 178.2 | -176.9 | 0 | 113 | S875 Q876 Q883 | S875-K879 WeakPolarHBondContact O-CB 3.32Å; S875-K879 PolarHBondContact O-N 3.18Å; Q876-K879 WeakPolarHBondContact O-CB 3.46Å; Q876-K879 PolarHBondContact O-N 3.28Å; K879-Q883 PolarHBondContact O-NE2 3.27Å |
| 880 | E | 73.2 | Confident | 72.3 | Confident | 39 Ų | 39 | 60.1 Ų | 60.1 | 18% | 0.182 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.5 | -42.7 | 173.1 | -71.8 | 162.9 | 170.7 | 0 | 0 | 111.2 | Q876 L877 S878 G882 Q883 V884 F947 | Q876-E880 WeakPolarHBondContact CG-OE1 3.47Å; Q876-E880 PolarHBondContact NE2-OE1 3.32Å; Q876-E880 WeakPolarHBondContact O-CG 3.43Å; Q876-E880 PolarHBondContact O-N 3.45Å; L877-E880 PolarHBondContact O-N 3.39Å; S878-E880 VanDerWaalsContact C-N 3.34Å; S878-E880 PolarHBondContact O-N 3.36Å; E880-G882 VanDerWaalsContact C-N 3.35Å; E880-G882 PolarHBondContact O-N 3.37Å; E880-Q883 WeakPolarHBondContact O-CB 3.37Å; E880-Q883 PolarHBondContact O-N 3.42Å; E880-Q883 VanDerWaalsContact O-N 3.11Å; E880-V884 PolarHBondContact O-N 3.03Å; E880-V884 VanDerWaalsContact O-N 3.14Å; E880-F947 HydrophobicContact CB-CD2 3.8Å; E880-F947 HydrophobicContact CB-CE2 3.66Å; E880-F947 HydrophobicContact CB-CG 4.45Å; E880-F947 HydrophobicContact CB-CZ 4.22Å; E880-F947 HydrophobicContact CG-CD2 4Å; E880-F947 HydrophobicContact CG-CE2 4.28Å; E880-F947 VanDerWaalsContact OE2-CD2 3.23Å; E880-F947 WeakPolarHBondContact OE2-CD2 3.47Å; E880-F947 VanDerWaalsContact OE2-CE2 3.24Å; E880-F947 WeakPolarHBondContact OE2-CE2 3.22Å |
| 881 | W | 76.9 | Confident | 74.4 | Confident | 76 Ų | 76 | 60.7 Ų | 60.7 | 29% | 0.288 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.7 | -41.9 | 174.8 | -124 | 88.7 | 0 | 0 | 0 | 112.5 | L877 S878 Q883 V884 E885 E957 V961 | L877-W881 WeakPolarHBondContact O-CB 3.41Å; L877-W881 PolarHBondContact O-N 2.96Å; S878-W881 PolarHBondContact O-N 3.5Å; W881-Q883 VanDerWaalsContact C-N 3.29Å; W881-Q883 PolarHBondContact O-N 3.45Å; W881-V884 WeakPolarHBondContact O-CB 3.3Å; W881-V884 PolarHBondContact O-N 2.93Å; W881-E885 HydrophobicContact CE3-CG 4.24Å; W881-E885 HydrophobicContact CZ3-CG 4.36Å; W881-E885 PolarHBondContact O-N 2.99Å; W881-E957 HydrophobicContact CZ2-CG 4.01Å; W881-E957 PolarHBondContact NE1-OE2 3.31Å; W881-V961 HydrophobicContact CH2-CG2 3.33Å; W881-V961 HydrophobicContact CZ2-CG2 4.09Å; W881-V961 HydrophobicContact CZ3-CG2 3.68Å |
| 882 | G | 81.7 | Confident | 76.6 | Confident | 17 Ų | 17 | 56 Ų | 56 | 18% | 0.175 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -56.8 | -41.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | S878 E880 V884 E885 Q886 | S878-G882 PolarHBondContact O-N 3.45Å; E880-G882 VanDerWaalsContact C-N 3.35Å; E880-G882 PolarHBondContact O-N 3.37Å; G882-V884 VanDerWaalsContact C-N 3.32Å; G882-V884 PolarHBondContact O-N 3Å; G882-E885 PolarHBondContact O-N 2.68Å; G882-Q886 WeakPolarHBondContact O-CG 3.44Å; G882-Q886 PolarHBondContact O-N 2.9Å |
| 883 | Q | 83.9 | Confident | 78.4 | Confident | 37 Ų | 37 | 50.3 Ų | 50.3 | 17% | 0.173 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67.2 | -30 | 176.2 | -72.5 | 166.5 | 85.1 | 0 | 0 | 112.7 | K879 E880 W881 L887 L940 L944 | K879-Q883 PolarHBondContact O-NE2 3.27Å; E880-Q883 WeakPolarHBondContact O-CB 3.37Å; E880-Q883 PolarHBondContact O-N 3.42Å; E880-Q883 VanDerWaalsContact O-N 3.11Å; W881-Q883 VanDerWaalsContact C-N 3.29Å; W881-Q883 PolarHBondContact O-N 3.45Å; Q883-L887 WeakPolarHBondContact O-CB 3.46Å; Q883-L887 PolarHBondContact O-N 2.79Å; Q883-L940 HydrophobicContact CB-CD2 4.13Å; Q883-L940 HydrophobicContact CG-CD2 4.14Å; Q883-L944 HydrophobicContact CB-CD1 4.25Å; Q883-L944 HydrophobicContact CB-CD2 4.06Å; Q883-L944 HydrophobicContact CB-CG 4.4Å |
| 884 | V | 83.6 | Confident | 80.3 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 4% | 0.042 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -68.6 | -45.2 | 172.2 | 178 | 0 | 0 | 0 | 0 | 110.9 | E880 W881 G882 Q886 L887 V888 L944 F947 F948 | E880-V884 PolarHBondContact O-N 3.03Å; E880-V884 VanDerWaalsContact O-N 3.14Å; W881-V884 WeakPolarHBondContact O-CB 3.3Å; W881-V884 PolarHBondContact O-N 2.93Å; G882-V884 VanDerWaalsContact C-N 3.32Å; G882-V884 PolarHBondContact O-N 3Å; V884-Q886 VanDerWaalsContact C-N 3.31Å; V884-Q886 PolarHBondContact O-N 2.87Å; V884-L887 PolarHBondContact O-N 3.46Å; V884-V888 WeakPolarHBondContact O-CG2 3.43Å; V884-V888 PolarHBondContact O-N 3.26Å; V884-L944 HydrophobicContact CG2-CD1 4.07Å; V884-L944 HydrophobicContact CG2-CD2 4Å; V884-F947 HydrophobicContact CG2-CE1 4.18Å; V884-F948 HydrophobicContact CG2-CE1 4.23Å; V884-F948 HydrophobicContact CG2-CZ 4.21Å |
| 885 | E | 86.8 | Confident | 82 | Confident | 28 Ų | 28 | 46 Ų | 46 | 13% | 0.131 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.5 | -43 | 173.3 | -68.7 | -163.7 | 164.6 | 0 | 0 | 111.6 | R849 W881 G882 V888 L889 V961 L966 | R849-E885 IonicContact CZ-OE2 3.64Å; R849-E885 IonicContact NE-OE2 3.07Å; R849-E885 PolarHBondContact NE-OE2 3.07Å; R849-E885 IonicContact NH2-OE2 3.03Å; R849-E885 PolarHBondContact NH2-OE2 3.43Å; W881-E885 HydrophobicContact CE3-CG 4.24Å; W881-E885 HydrophobicContact CZ3-CG 4.36Å; W881-E885 PolarHBondContact O-N 2.99Å; G882-E885 PolarHBondContact O-N 2.68Å; E885-V888 PolarHBondContact O-N 3.46Å; E885-L889 WeakPolarHBondContact O-CG 3.16Å; E885-L889 PolarHBondContact O-N 3.41Å; E885-V961 HydrophobicContact CG-CG1 4.27Å; E885-L966 HydrophobicContact CB-CD1 4.03Å; E885-L966 HydrophobicContact CG-CD1 4.16Å; E885-L966 HydrophobicContact CG-CD2 4.21Å; E885-L966 WeakPolarHBondContact OE1-CD2 3.46Å |
| 886 | Q | 89.6 | Confident | 83.5 | Confident | 18 Ų | 18 | 43.2 Ų | 43.2 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.6 | -48.7 | 174.8 | -70.1 | -173.4 | -66.5 | 0 | 0 | 112.3 | A846 R849 G882 V884 V888 L889 Y890 L940 | A846-Q886 WeakPolarHBondContact O-CG 3.48Å; A846-Q886 PolarHBondContact O-NE2 2.96Å; R849-Q886 HydrophobicContact CB-CG 3.88Å; G882-Q886 WeakPolarHBondContact O-CG 3.44Å; G882-Q886 PolarHBondContact O-N 2.9Å; V884-Q886 VanDerWaalsContact C-N 3.31Å; V884-Q886 PolarHBondContact O-N 2.87Å; Q886-V888 VanDerWaalsContact C-N 3.33Å; Q886-V888 PolarHBondContact O-N 3.32Å; Q886-L889 PolarHBondContact O-N 3.3Å; Q886-Y890 HydrophobicContact CB-CD2 4.3Å; Q886-Y890 HydrophobicContact CB-CE2 4.29Å; Q886-Y890 WeakPolarHBondContact O-CD2 3.4Å; Q886-Y890 PolarHBondContact O-N 3.07Å; Q886-L940 HydrophobicContact CB-CD1 3.81Å |
| 887 | L | 88.7 | Confident | 85 | Confident | 13 Ų | 13 | 39.1 Ų | 39.1 | 7% | 0.068 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.1 | -44.4 | -179.3 | 178 | 58.6 | 0 | 0 | 0 | 110.9 | Q883 V884 L889 Y890 M891 C937 L940 L944 | Q883-L887 WeakPolarHBondContact O-CB 3.46Å; Q883-L887 PolarHBondContact O-N 2.79Å; V884-L887 PolarHBondContact O-N 3.46Å; L887-L889 PolarHBondContact O-N 3.36Å; L887-Y890 PolarHBondContact O-N 3.16Å; L887-M891 HydrophobicContact CD1-CG 3.99Å; L887-M891 HydrophobicContact CD1-SD 3.91Å; L887-M891 HydrophobicContact CG-CG 4.42Å; L887-M891 HydrophobicContact CG-SD 3.89Å; L887-M891 VanDerWaalsContact O-CB 3.31Å; L887-M891 WeakPolarHBondContact O-CB 3.46Å; L887-M891 VanDerWaalsContact O-CG 3.22Å; L887-M891 WeakPolarHBondContact O-CG 3.43Å; L887-M891 PolarHBondContact O-N 2.87Å; L887-C937 HydrophobicContact CD1-CB 4.16Å; L887-L940 HydrophobicContact CB-CB 4.24Å; L887-L940 HydrophobicContact CB-CD1 4.38Å; L887-L940 HydrophobicContact CD1-CB 4.13Å; L887-L944 HydrophobicContact CB-CD1 4.3Å; L887-L944 HydrophobicContact CD2-CD1 3.91Å |
| 888 | V | 89.1 | Confident | 86.5 | Confident | 35 Ų | 35 | 38.2 Ų | 38.2 | 21% | 0.212 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.3 | -43.4 | 176.2 | 168.8 | 0 | 0 | 0 | 0 | 111.7 | V884 E885 Q886 K892 V961 A963 L966 | V884-V888 WeakPolarHBondContact O-CG2 3.43Å; V884-V888 PolarHBondContact O-N 3.26Å; E885-V888 PolarHBondContact O-N 3.46Å; Q886-V888 VanDerWaalsContact C-N 3.33Å; Q886-V888 PolarHBondContact O-N 3.32Å; V888-K892 WeakPolarHBondContact O-CB 3.44Å; V888-K892 PolarHBondContact O-N 3.18Å; V888-V961 HydrophobicContact CG2-CG1 4.4Å; V888-A963 HydrophobicContact CG1-CB 3.87Å; V888-L966 HydrophobicContact CG1-CD1 4.45Å |
| 889 | L | 91.1 | Very high | 87.7 | Confident | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.016 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -67.1 | -45.6 | 177 | -69.8 | 169.3 | 0 | 0 | 0 | 112.6 | I842 M845 A846 E885 Q886 L887 K892 A893 A963 L966 I967 | I842-L889 HydrophobicContact CG2-CB 4.21Å; I842-L889 HydrophobicContact CG2-CD2 4.16Å; M845-L889 HydrophobicContact CB-CD1 4.17Å; M845-L889 HydrophobicContact CE-CD1 4.36Å; M845-L889 HydrophobicContact CE-CD2 4.05Å; A846-L889 HydrophobicContact CB-CB 4.07Å; A846-L889 HydrophobicContact CB-CD1 4.33Å; E885-L889 WeakPolarHBondContact O-CG 3.16Å; E885-L889 PolarHBondContact O-N 3.41Å; Q886-L889 PolarHBondContact O-N 3.3Å; L887-L889 PolarHBondContact O-N 3.36Å; L889-K892 PolarHBondContact O-N 3.02Å; L889-A893 WeakPolarHBondContact O-CB 3.43Å; L889-A893 PolarHBondContact O-N 2.92Å; L889-A963 HydrophobicContact CD2-CB 4.47Å; L889-L966 HydrophobicContact CD1-CD1 4.29Å; L889-L966 HydrophobicContact CD2-CB 4.01Å; L889-L966 HydrophobicContact CD2-CD1 4.14Å; L889-L966 HydrophobicContact CG-CD1 3.95Å; L889-I967 HydrophobicContact CD2-CG1 4.36Å |
| 890 | Y | 93.1 | Very high | 88.7 | Confident | 11 Ų | 11 | 32 Ų | 32 | 4% | 0.043 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.2 | -38.1 | 177 | -77 | -64.3 | 0 | 0 | 0 | 112.3 | L843 A846 Q886 L887 A893 A894 F936 C937 L940 | L843-Y890 HydrophobicContact CD2-CD1 3.49Å; L843-Y890 VanDerWaalsContact CD2-CD1 3.49Å; L843-Y890 HydrophobicContact CD2-CE1 3.46Å; L843-Y890 VanDerWaalsContact CD2-CE1 3.46Å; A846-Y890 HydrophobicContact CB-CD1 4.43Å; A846-Y890 HydrophobicContact CB-CD2 4.06Å; A846-Y890 HydrophobicContact CB-CE1 4.07Å; A846-Y890 HydrophobicContact CB-CE2 3.66Å; A846-Y890 HydrophobicContact CB-CG 4.41Å; Q886-Y890 HydrophobicContact CB-CD2 4.3Å; Q886-Y890 HydrophobicContact CB-CE2 4.29Å; Q886-Y890 WeakPolarHBondContact O-CD2 3.4Å; Q886-Y890 PolarHBondContact O-N 3.07Å; L887-Y890 PolarHBondContact O-N 3.16Å; Y890-A893 PolarHBondContact O-N 3.39Å; Y890-A894 WeakPolarHBondContact O-CB 3.49Å; Y890-A894 PolarHBondContact O-N 3.2Å; Y890-F936 HydrophobicContact CD1-CB 4.03Å; Y890-F936 HydrophobicContact CD1-CD2 4.48Å; Y890-F936 HydrophobicContact CD2-CB 4.06Å; Y890-F936 HydrophobicContact CE1-CB 4.06Å; Y890-F936 AromaticContact CE1-CD2 3.88Å; Y890-F936 HydrophobicContact CE1-CD2 3.88Å; Y890-F936 HydrophobicContact CE1-CG 4.08Å; Y890-F936 HydrophobicContact CE2-CB 4.09Å; Y890-F936 HydrophobicContact CE2-CG 4.36Å; Y890-F936 HydrophobicContact CG-CB 4.06Å; Y890-C937 VanDerWaalsContact C-SG 3.58Å; Y890-L940 HydrophobicContact CD2-CD1 3.61Å; Y890-L940 HydrophobicContact CE2-CD1 3.95Å |
| 891 | M | 90.1 | Very high | 89.7 | Confident | 104 Ų | 104 | 31.7 Ų | 31.7 | 51% | 0.512 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 174.2 | -76 | 176.9 | 67.9 | 0 | 0 | 111.3 | L887 A894 Q895 | L887-M891 HydrophobicContact CD1-CG 3.99Å; L887-M891 HydrophobicContact CD1-SD 3.91Å; L887-M891 HydrophobicContact CG-CG 4.42Å; L887-M891 HydrophobicContact CG-SD 3.89Å; L887-M891 VanDerWaalsContact O-CB 3.31Å; L887-M891 WeakPolarHBondContact O-CB 3.46Å; L887-M891 VanDerWaalsContact O-CG 3.22Å; L887-M891 WeakPolarHBondContact O-CG 3.43Å; L887-M891 PolarHBondContact O-N 2.87Å; M891-A894 PolarHBondContact O-N 3.09Å; M891-Q895 PolarHBondContact O-N 3.25Å |
| 892 | K | 91.8 | Very high | 90.5 | Very high | 25 Ų | 25 | 34.4 Ų | 34.4 | 11% | 0.109 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -66.1 | -44.3 | 175.7 | -168.6 | 72.5 | -171.9 | -176.5 | 0 | 111.9 | V888 L889 A894 Q895 L896 A963 E964 | V888-K892 WeakPolarHBondContact O-CB 3.44Å; V888-K892 PolarHBondContact O-N 3.18Å; L889-K892 PolarHBondContact O-N 3.02Å; K892-A894 VanDerWaalsContact C-N 3.33Å; K892-A894 PolarHBondContact O-N 2.95Å; K892-Q895 VanDerWaalsContact NZ-OE1 3.1Å; K892-Q895 WeakPolarHBondContact O-CB 3.4Å; K892-Q895 PolarHBondContact O-N 2.92Å; K892-L896 HydrophobicContact CG-CD1 4.2Å; K892-L896 WeakPolarHBondContact O-CG 3.48Å; K892-L896 PolarHBondContact O-N 2.94Å; K892-A963 HydrophobicContact CB-CB 3.46Å; K892-A963 VanDerWaalsContact CB-CB 3.46Å; K892-A963 HydrophobicContact CD-CB 4.05Å; K892-A963 HydrophobicContact CG-CB 3.6Å; K892-E964 WeakPolarHBondContact CE-OE1 3.49Å; K892-E964 IonicContact NZ-OE1 3.95Å; K892-E964 PolarHBondContact NZ-OE1 3.49Å |
| 893 | A | 93.5 | Very high | 91 | Very high | 0 Ų | 0 | 36.5 Ų | 36.5 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -57.6 | -46.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | I842 L843 L889 Y890 Q895 L896 L897 | I842-A893 HydrophobicContact CG2-CB 4.07Å; L843-A893 HydrophobicContact CD2-CB 4.09Å; L843-A893 HydrophobicContact CG-CB 4.42Å; L889-A893 WeakPolarHBondContact O-CB 3.43Å; L889-A893 PolarHBondContact O-N 2.92Å; Y890-A893 PolarHBondContact O-N 3.39Å; A893-Q895 PolarHBondContact O-N 3.21Å; A893-L896 PolarHBondContact O-N 3.33Å; A893-L897 WeakPolarHBondContact O-CB 3.18Å; A893-L897 WeakPolarHBondContact O-CD1 3.49Å; A893-L897 WeakPolarHBondContact O-CG 3.35Å; A893-L897 PolarHBondContact O-N 3.04Å |
| 894 | A | 92.6 | Very high | 91.4 | Very high | 8 Ų | 8 | 34.8 Ų | 34.8 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59 | -42.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y890 M891 K892 A898 Y930 C933 I934 | Y890-A894 WeakPolarHBondContact O-CB 3.49Å; Y890-A894 PolarHBondContact O-N 3.2Å; M891-A894 PolarHBondContact O-N 3.09Å; K892-A894 VanDerWaalsContact C-N 3.33Å; K892-A894 PolarHBondContact O-N 2.95Å; A894-A898 VanDerWaalsContact O-CB 3.27Å; A894-A898 WeakPolarHBondContact O-CB 3.44Å; A894-A898 PolarHBondContact O-N 3.19Å; A894-Y930 HydrophobicContact CB-CD2 4.41Å; A894-Y930 HydrophobicContact CB-CE2 4.3Å; A894-C933 HydrophobicContact CB-CB 3.83Å; A894-I934 HydrophobicContact CB-CD1 3.93Å |
| 895 | Q | 92.3 | Very high | 91.8 | Very high | 116 Ų | 116 | 40.7 Ų | 40.7 | 54% | 0.542 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -59.9 | -46.9 | 176.4 | -172.1 | -173 | 36.6 | 0 | 0 | 111.9 | M891 K892 A893 A898 S899 | M891-Q895 PolarHBondContact O-N 3.25Å; K892-Q895 VanDerWaalsContact NZ-OE1 3.1Å; K892-Q895 WeakPolarHBondContact O-CB 3.4Å; K892-Q895 PolarHBondContact O-N 2.92Å; A893-Q895 PolarHBondContact O-N 3.21Å; Q895-A898 PolarHBondContact O-N 2.75Å; Q895-S899 PolarHBondContact O-N 3.49Å |
| 896 | L | 92.2 | Very high | 92.1 | Very high | 16 Ų | 16 | 41.4 Ų | 41.4 | 8% | 0.084 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70.1 | -39.4 | -177.8 | -64.4 | 175.4 | 0 | 0 | 0 | 112.4 | M835 F838 T839 I842 K892 A893 S899 S900 I1007 | M835-L896 HydrophobicContact CE-CB 3.9Å; M835-L896 HydrophobicContact CE-CD1 4.38Å; M835-L896 HydrophobicContact CE-CD2 4.16Å; M835-L896 HydrophobicContact CE-CG 4.36Å; F838-L896 HydrophobicContact CD1-CD1 4.22Å; F838-L896 HydrophobicContact CE1-CD1 3.76Å; T839-L896 HydrophobicContact CG2-CB 3.86Å; T839-L896 HydrophobicContact CG2-CD1 4.38Å; I842-L896 HydrophobicContact CD1-CD1 3.97Å; K892-L896 HydrophobicContact CG-CD1 4.2Å; K892-L896 WeakPolarHBondContact O-CG 3.48Å; K892-L896 PolarHBondContact O-N 2.94Å; A893-L896 PolarHBondContact O-N 3.33Å; L896-S899 PolarHBondContact O-N 3.19Å; L896-S900 WeakPolarHBondContact O-CB 3.37Å; L896-S900 PolarHBondContact O-N 2.89Å; L896-S900 PolarHBondContact O-OG 3.45Å; L896-I1007 HydrophobicContact CD1-CG2 4.3Å; L896-I1007 HydrophobicContact CD2-CG2 3.5Å |
| 897 | L | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 174.5 | -69.1 | 167.2 | 0 | 0 | 0 | 111.5 | T839 A893 S900 L901 L926 R929 Y930 C933 | T839-L897 HydrophobicContact CG2-CD2 4.06Å; T839-L897 HydrophobicContact CG2-CG 3.97Å; T839-L897 WeakPolarHBondContact OG1-CD2 3.24Å; A893-L897 WeakPolarHBondContact O-CB 3.18Å; A893-L897 WeakPolarHBondContact O-CD1 3.49Å; A893-L897 WeakPolarHBondContact O-CG 3.35Å; A893-L897 PolarHBondContact O-N 3.04Å; L897-S900 PolarHBondContact O-N 3.11Å; L897-L901 WeakPolarHBondContact O-CB 3.33Å; L897-L901 VanDerWaalsContact O-CG 3.26Å; L897-L901 WeakPolarHBondContact O-CG 3.4Å; L897-L901 PolarHBondContact O-N 2.57Å; L897-L926 HydrophobicContact CD2-CB 4.49Å; L897-L926 HydrophobicContact CD2-CD2 3.46Å; L897-L926 VanDerWaalsContact CD2-CD2 3.46Å; L897-R929 HydrophobicContact CD1-CB 3.74Å; L897-R929 HydrophobicContact CD2-CB 4.23Å; L897-Y930 HydrophobicContact CB-CD2 4.16Å; L897-C933 VanDerWaalsContact CD1-SG 3.57Å |
| 898 | A | 93.1 | Very high | 92.2 | Very high | 38 Ų | 38 | 45.8 Ų | 45.8 | 31% | 0.314 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.5 | -43.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A894 Q895 L901 H902 Y930 | A894-A898 VanDerWaalsContact O-CB 3.27Å; A894-A898 WeakPolarHBondContact O-CB 3.44Å; A894-A898 PolarHBondContact O-N 3.19Å; Q895-A898 PolarHBondContact O-N 2.75Å; A898-L901 PolarHBondContact O-N 3.13Å; A898-H902 WeakPolarHBondContact O-CB 3.42Å; A898-H902 PolarHBondContact O-N 2.91Å; A898-Y930 HydrophobicContact CB-CD2 4.27Å; A898-Y930 HydrophobicContact CB-CE2 3.82Å |
| 899 | S | 93.1 | Very high | 92.3 | Very high | 77 Ų | 77 | 52.3 Ų | 52.3 | 54% | 0.538 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -60.6 | -47 | 174.8 | -171.8 | 0 | 0 | 0 | 0 | 111.7 | Q895 L896 L901 H902 M903 | Q895-S899 PolarHBondContact O-N 3.49Å; L896-S899 PolarHBondContact O-N 3.19Å; S899-L901 PolarHBondContact O-N 3.09Å; S899-H902 PolarHBondContact O-N 3.22Å; S899-M903 PolarHBondContact O-N 3.26Å |
| 900 | S | 93.6 | Very high | 92.2 | Very high | 3 Ų | 3 | 55.1 Ų | 55.1 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 178.2 | -56.4 | 0 | 0 | 0 | 0 | 112.3 | L832 L896 L897 M903 A904 | L832-S900 WeakPolarHBondContact CD2-O 3.13Å; L896-S900 WeakPolarHBondContact O-CB 3.37Å; L896-S900 PolarHBondContact O-N 2.89Å; L896-S900 PolarHBondContact O-OG 3.45Å; L897-S900 PolarHBondContact O-N 3.11Å; S900-M903 PolarHBondContact O-N 3.38Å; S900-A904 WeakPolarHBondContact O-CB 3.42Å; S900-A904 PolarHBondContact O-N 3.05Å |
| 901 | L | 93.8 | Very high | 91.8 | Very high | 34 Ų | 34 | 57.9 Ų | 57.9 | 18% | 0.178 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.1 | -38.7 | 175.2 | -72.9 | 166.5 | 0 | 0 | 0 | 112.4 | L897 A898 S899 K905 V923 L926 N927 Y930 | L897-L901 WeakPolarHBondContact O-CB 3.33Å; L897-L901 VanDerWaalsContact O-CG 3.26Å; L897-L901 WeakPolarHBondContact O-CG 3.4Å; L897-L901 PolarHBondContact O-N 2.57Å; A898-L901 PolarHBondContact O-N 3.13Å; S899-L901 PolarHBondContact O-N 3.09Å; L901-K905 WeakPolarHBondContact O-CB 3.26Å; L901-K905 PolarHBondContact O-N 2.8Å; L901-V923 HydrophobicContact CD2-CG1 4.13Å; L901-L926 HydrophobicContact CD2-CB 3.69Å; L901-L926 HydrophobicContact CG-CB 4.01Å; L901-N927 HydrophobicContact CD1-CB 4.43Å; L901-N927 HydrophobicContact CD2-CB 4.16Å; L901-Y930 HydrophobicContact CD1-CD1 4.4Å; L901-Y930 HydrophobicContact CD1-CG 4.16Å |
| 902 | H | 93.6 | Very high | 91.5 | Very high | 133 Ų | 133 | 56.7 Ų | 56.7 | 62% | 0.616 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66.4 | -42.8 | 175.2 | -171.2 | -94.8 | 0 | 0 | 0 | 111.6 | A898 S899 K905 A906 | A898-H902 WeakPolarHBondContact O-CB 3.42Å; A898-H902 PolarHBondContact O-N 2.91Å; S899-H902 PolarHBondContact O-N 3.22Å; H902-K905 PolarHBondContact O-N 3.19Å; H902-A906 WeakPolarHBondContact O-CB 3.41Å; H902-A906 PolarHBondContact O-N 2.84Å |
| 903 | M | 92.4 | Very high | 91.2 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 30% | 0.3 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.2 | -46.2 | 175.4 | 180 | 157.6 | 56.6 | 0 | 0 | 111.9 | H831 S899 S900 K905 A906 Q907 | H831-M903 VanDerWaalsContact CD2-CE 3.4Å; H831-M903 WeakPolarHBondContact CD2-CE 3.34Å; H831-M903 WeakPolarHBondContact NE2-CE 3.13Å; S899-M903 PolarHBondContact O-N 3.26Å; S900-M903 PolarHBondContact O-N 3.38Å; M903-K905 VanDerWaalsContact C-N 3.32Å; M903-K905 PolarHBondContact O-N 3.26Å; M903-A906 PolarHBondContact O-N 2.96Å; M903-A906 VanDerWaalsContact O-N 3.12Å; M903-Q907 HydrophobicContact CG-CG 4.2Å; M903-Q907 WeakPolarHBondContact O-CG 3.43Å; M903-Q907 PolarHBondContact O-N 3.47Å |
| 904 | A | 92.1 | Very high | 90.8 | Very high | 1 Ų | 1 | 59.5 Ų | 59.5 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -56.9 | -45.9 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L832 S900 A906 Q907 I908 L913 V923 | L832-A904 HydrophobicContact CD1-CB 3.83Å; L832-A904 HydrophobicContact CD2-CB 4.12Å; S900-A904 WeakPolarHBondContact O-CB 3.42Å; S900-A904 PolarHBondContact O-N 3.05Å; A904-A906 VanDerWaalsContact C-N 3.32Å; A904-A906 PolarHBondContact O-N 2.99Å; A904-Q907 PolarHBondContact O-N 3.49Å; A904-I908 WeakPolarHBondContact O-CB 3.44Å; A904-I908 WeakPolarHBondContact O-CD1 3.39Å; A904-I908 WeakPolarHBondContact O-CG1 3.33Å; A904-I908 PolarHBondContact O-N 3.47Å; A904-L913 HydrophobicContact CB-CD2 4.37Å; A904-V923 HydrophobicContact CB-CG2 3.86Å |
| 905 | K | 92.3 | Very high | 90.4 | Very high | 131 Ų | 131 | 62.4 Ų | 62.4 | 57% | 0.57 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -61.6 | -36.2 | 175.9 | -175.3 | -179.6 | -178.2 | -178.9 | 0 | 112.8 | L901 H902 M903 K909 | L901-K905 WeakPolarHBondContact O-CB 3.26Å; L901-K905 PolarHBondContact O-N 2.8Å; H902-K905 PolarHBondContact O-N 3.19Å; M903-K905 VanDerWaalsContact C-N 3.32Å; M903-K905 PolarHBondContact O-N 3.26Å; K905-K909 WeakPolarHBondContact O-CB 3.37Å; K905-K909 WeakPolarHBondContact O-CG 3.23Å; K905-K909 PolarHBondContact O-N 2.92Å |
| 906 | A | 91.9 | Very high | 90.2 | Very high | 42 Ų | 42 | 57.2 Ų | 57.2 | 35% | 0.347 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -70.8 | -46.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | H902 M903 A904 I908 K909 S910 | H902-A906 WeakPolarHBondContact O-CB 3.41Å; H902-A906 PolarHBondContact O-N 2.84Å; M903-A906 PolarHBondContact O-N 2.96Å; M903-A906 VanDerWaalsContact O-N 3.12Å; A904-A906 VanDerWaalsContact C-N 3.32Å; A904-A906 PolarHBondContact O-N 2.99Å; A906-I908 PolarHBondContact O-N 2.87Å; A906-K909 WeakPolarHBondContact O-CB 3.32Å; A906-K909 PolarHBondContact O-N 3.27Å; A906-K909 VanDerWaalsContact O-N 3.13Å; A906-S910 PolarHBondContact O-N 3Å; A906-S910 PolarHBondContact O-OG 3.4Å |
| 907 | Q | 90.6 | Very high | 89.9 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 24% | 0.238 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.5 | -30 | -178.6 | -60 | -66.2 | 11 | 0 | 0 | 113 | T828 M903 A904 S910 A911 K912 L913 | T828-Q907 HydrophobicContact CG2-CB 4.17Å; T828-Q907 HydrophobicContact CG2-CG 3.94Å; M903-Q907 HydrophobicContact CG-CG 4.2Å; M903-Q907 WeakPolarHBondContact O-CG 3.43Å; M903-Q907 PolarHBondContact O-N 3.47Å; A904-Q907 PolarHBondContact O-N 3.49Å; Q907-S910 WeakPolarHBondContact CA-OG 3.42Å; Q907-S910 PolarHBondContact O-OG 3.45Å; Q907-S910 PolarHBondContact OE1-OG 3.3Å; Q907-A911 PolarHBondContact O-N 2.91Å; Q907-K912 PolarHBondContact O-N 2.94Å; Q907-K912 VanDerWaalsContact OE1-CD 3.31Å; Q907-L913 HydrophobicContact CB-CB 3.63Å; Q907-L913 PolarHBondContact O-N 2.83Å |
| 908 | I | 90.6 | Very high | 89.5 | Confident | 72 Ų | 72 | 61.9 Ų | 61.9 | 37% | 0.369 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.8 | -43.2 | 168.6 | -68.4 | 161.2 | 0 | 0 | 0 | 110.3 | A904 A906 S910 A911 L913 | A904-I908 WeakPolarHBondContact O-CB 3.44Å; A904-I908 WeakPolarHBondContact O-CD1 3.39Å; A904-I908 WeakPolarHBondContact O-CG1 3.33Å; A904-I908 PolarHBondContact O-N 3.47Å; A906-I908 PolarHBondContact O-N 2.87Å; I908-S910 VanDerWaalsContact C-N 3.34Å; I908-S910 PolarHBondContact O-N 2.95Å; I908-A911 PolarHBondContact O-N 2.89Å; I908-L913 WeakPolarHBondContact CA-O 3.43Å; I908-L913 HydrophobicContact CG1-CB 4.23Å; I908-L913 HydrophobicContact CG1-CD2 4.13Å; I908-L913 HydrophobicContact CG1-CG 4.35Å; I908-L913 VanDerWaalsContact CG1-O 3.25Å; I908-L913 WeakPolarHBondContact CG1-O 3.46Å |
| 909 | K | 90.4 | Very high | 89.4 | Confident | 173 Ų | 173 | 60.2 Ų | 60.2 | 75% | 0.752 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65.1 | -32.9 | 178.2 | -85 | -175.8 | 165.9 | -158 | 0 | 113.7 | K905 A906 A911 | K905-K909 WeakPolarHBondContact O-CB 3.37Å; K905-K909 WeakPolarHBondContact O-CG 3.23Å; K905-K909 PolarHBondContact O-N 2.92Å; A906-K909 WeakPolarHBondContact O-CB 3.32Å; A906-K909 PolarHBondContact O-N 3.27Å; A906-K909 VanDerWaalsContact O-N 3.13Å; K909-A911 VanDerWaalsContact C-N 3.27Å |
| 910 | S | 89 | Confident | 89.3 | Confident | 61 Ų | 61 | 62.6 Ų | 62.6 | 43% | 0.427 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | 8.9 | 176.6 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | A906 Q907 I908 K912 | A906-S910 PolarHBondContact O-N 3Å; A906-S910 PolarHBondContact O-OG 3.4Å; Q907-S910 WeakPolarHBondContact CA-OG 3.42Å; Q907-S910 PolarHBondContact O-OG 3.45Å; Q907-S910 PolarHBondContact OE1-OG 3.3Å; I908-S910 VanDerWaalsContact C-N 3.34Å; I908-S910 PolarHBondContact O-N 2.95Å; S910-K912 PolarHBondContact O-N 3.31Å |
| 911 | A | 84.4 | Confident | 89.2 | Confident | 69 Ų | 69 | 68.8 Ų | 68.8 | 57% | 0.57 | 36% | 0.362 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.4 | 4.4 | -175.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | Q907 I908 K909 | Q907-A911 PolarHBondContact O-N 2.91Å; I908-A911 PolarHBondContact O-N 2.89Å; K909-A911 VanDerWaalsContact C-N 3.27Å |
| 912 | K | 83.8 | Confident | 89.2 | Confident | 79 Ų | 79 | 67.8 Ų | 67.8 | 34% | 0.343 | 36% | 0.357 | S | S | . | . | S | Bend | trans | -71.5 | -27.8 | 176.3 | -68.1 | 179.4 | 174.9 | -78.3 | 0 | 112.8 | E824 H825 Q907 S910 | E824-K912 IonicContact OE1-NZ 2.96Å; E824-K912 PolarHBondContact OE1-NZ 3.39Å; E824-K912 WeakPolarHBondContact OE2-CD 3.21Å; E824-K912 WeakPolarHBondContact OE2-CG 3.32Å; E824-K912 IonicContact OE2-NZ 2.68Å; E824-K912 PolarHBondContact OE2-NZ 2.86Å; H825-K912 WeakPolarHBondContact CA-O 3.36Å; Q907-K912 PolarHBondContact O-N 2.94Å; Q907-K912 VanDerWaalsContact OE1-CD 3.31Å; S910-K912 PolarHBondContact O-N 3.31Å |
| 913 | L | 86.6 | Confident | 89.1 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 34% | 0.339 | C | S | . | . | S | Bend | trans | -117.4 | 86.8 | 176.2 | -170.4 | 74.1 | 0 | 0 | 0 | 110.9 | T828 L829 L832 A904 Q907 I908 V919 | T828-L913 HydrophobicContact CG2-CB 4.41Å; T828-L913 HydrophobicContact CG2-CD1 3.86Å; T828-L913 HydrophobicContact CG2-CD2 4.09Å; T828-L913 HydrophobicContact CG2-CG 4.36Å; L829-L913 HydrophobicContact CB-CD1 4.35Å; L832-L913 HydrophobicContact CD1-CD2 3.73Å; A904-L913 HydrophobicContact CB-CD2 4.37Å; Q907-L913 HydrophobicContact CB-CB 3.63Å; Q907-L913 PolarHBondContact O-N 2.83Å; I908-L913 WeakPolarHBondContact CA-O 3.43Å; I908-L913 HydrophobicContact CG1-CB 4.23Å; I908-L913 HydrophobicContact CG1-CD2 4.13Å; I908-L913 HydrophobicContact CG1-CG 4.35Å; I908-L913 VanDerWaalsContact CG1-O 3.25Å; I908-L913 WeakPolarHBondContact CG1-O 3.46Å; L913-V919 HydrophobicContact CD1-CG2 3.87Å; L913-V919 HydrophobicContact CD2-CG1 4Å; L913-V919 HydrophobicContact CG-CG1 4.15Å; L913-V919 HydrophobicContact CG-CG2 4.13Å |
| 914 | N | 85.2 | Confident | 89.2 | Confident | 83 Ų | 83 | 66.3 Ų | 66.3 | 44% | 0.444 | 35% | 0.35 | S | S | . | . | trans | -57.8 | 143.8 | 172.7 | -66.3 | -57.4 | 0 | 0 | 0 | 112.2 | M821 H825 S916 | M821-N914 HydrophobicContact CE-CB 3.62Å; H825-N914 PolarHBondContact CE1-O 2.85Å; H825-N914 VanDerWaalsContact CE1-O 3.29Å; H825-N914 PolarHBondContact ND1-N 3.46Å; N914-S916 VanDerWaalsContact C-N 3.3Å; N914-S916 PolarHBondContact O-N 3.22Å | ||
| 915 | P | 84.6 | Confident | 89.3 | Confident | 70 Ų | 70 | 68.4 Ų | 68.4 | 46% | 0.455 | 37% | 0.365 | S | S | . | . | trans | -81.5 | 67.4 | -173.6 | 33.6 | -36.9 | 0 | 0 | 0 | 112.9 | K920 | P915-K920 WeakPolarHBondContact O-CE 3.17Å; P915-K920 PolarHBondContact O-NZ 3.47Å | ||
| 916 | S | 87.1 | Confident | 89.3 | Confident | 6 Ų | 6 | 62.1 Ų | 62.1 | 4% | 0.042 | 34% | 0.338 | C | S | . | . | trans | -60 | 168.9 | 173.7 | 83.8 | 0 | 0 | 0 | 0 | 112.3 | E818 N914 A918 V919 K920 | E818-S916 PolarHBondContact OE1-OG 3.25Å; N914-S916 VanDerWaalsContact C-N 3.3Å; N914-S916 PolarHBondContact O-N 3.22Å; S916-A918 VanDerWaalsContact C-N 3.35Å; S916-A918 PolarHBondContact O-N 2.95Å; S916-A918 PolarHBondContact OG-N 3.17Å; S916-V919 PolarHBondContact O-N 3.48Å; S916-V919 WeakPolarHBondContact OG-CG2 3.37Å; S916-V919 PolarHBondContact OG-N 2.98Å; S916-K920 WeakPolarHBondContact O-CD 3.44Å; S916-K920 VanDerWaalsContact O-CG 3.3Å; S916-K920 WeakPolarHBondContact O-CG 3.25Å; S916-K920 PolarHBondContact O-N 3.42Å | ||
| 917 | T | 86.3 | Confident | 89.5 | Confident | 99 Ų | 99 | 63.1 Ų | 63.1 | 61% | 0.607 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -58.9 | -43.6 | 173.3 | 51.6 | 0 | 0 | 0 | 0 | 112.1 | K920 Q921 | T917-K920 WeakPolarHBondContact O-CB 3.5Å; T917-K920 PolarHBondContact O-N 3.31Å; T917-Q921 WeakPolarHBondContact O-CG 3.37Å; T917-Q921 PolarHBondContact O-N 2.99Å |
| 918 | A | 86.3 | Confident | 89.7 | Confident | 16 Ų | 16 | 65.4 Ų | 65.4 | 13% | 0.132 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -78.2 | -30.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | E818 R833 S916 K920 Q921 V922 | E818-A918 WeakPolarHBondContact OE1-CB 3.48Å; R833-A918 VanDerWaalsContact NH2-CB 3.31Å; S916-A918 VanDerWaalsContact C-N 3.35Å; S916-A918 PolarHBondContact O-N 2.95Å; S916-A918 PolarHBondContact OG-N 3.17Å; A918-K920 VanDerWaalsContact C-N 3.32Å; A918-K920 PolarHBondContact O-N 3Å; A918-Q921 PolarHBondContact O-N 3.17Å; A918-V922 WeakPolarHBondContact O-CG2 3.46Å; A918-V922 PolarHBondContact O-N 3.18Å |
| 919 | V | 89.9 | Confident | 89.8 | Confident | 3 Ų | 3 | 66.5 Ų | 66.5 | 2% | 0.018 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -58.5 | -46.5 | 167.4 | 169 | 0 | 0 | 0 | 0 | 110.2 | L829 L913 S916 Q921 V922 V923 | L829-V919 HydrophobicContact CD1-CG2 3.94Å; L829-V919 HydrophobicContact CD2-CG2 3.91Å; L829-V919 HydrophobicContact CG-CG2 4.42Å; L913-V919 HydrophobicContact CD1-CG2 3.87Å; L913-V919 HydrophobicContact CD2-CG1 4Å; L913-V919 HydrophobicContact CG-CG1 4.15Å; L913-V919 HydrophobicContact CG-CG2 4.13Å; S916-V919 PolarHBondContact O-N 3.48Å; S916-V919 WeakPolarHBondContact OG-CG2 3.37Å; S916-V919 PolarHBondContact OG-N 2.98Å; V919-Q921 VanDerWaalsContact C-N 3.34Å; V919-Q921 PolarHBondContact O-N 3.42Å; V919-V922 PolarHBondContact O-N 3.08Å; V919-V923 HydrophobicContact CG1-CG2 4.33Å; V919-V923 WeakPolarHBondContact O-CB 3.4Å; V919-V923 VanDerWaalsContact O-CG2 3.32Å; V919-V923 WeakPolarHBondContact O-CG2 3.27Å; V919-V923 PolarHBondContact O-N 3.38Å |
| 920 | K | 90.1 | Very high | 90 | Very high | 126 Ų | 126 | 62 Ų | 62 | 55% | 0.548 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -59.9 | -41.3 | 175.9 | -73 | 161.1 | 176.3 | 139.2 | 0 | 112 | P915 S916 T917 A918 K924 | P915-K920 WeakPolarHBondContact O-CE 3.17Å; P915-K920 PolarHBondContact O-NZ 3.47Å; S916-K920 WeakPolarHBondContact O-CD 3.44Å; S916-K920 VanDerWaalsContact O-CG 3.3Å; S916-K920 WeakPolarHBondContact O-CG 3.25Å; S916-K920 PolarHBondContact O-N 3.42Å; T917-K920 WeakPolarHBondContact O-CB 3.5Å; T917-K920 PolarHBondContact O-N 3.31Å; A918-K920 VanDerWaalsContact C-N 3.32Å; A918-K920 PolarHBondContact O-N 3Å; K920-K924 VanDerWaalsContact O-CB 3.25Å; K920-K924 WeakPolarHBondContact O-CB 3.46Å; K920-K924 PolarHBondContact O-N 3.18Å |
| 921 | Q | 92.5 | Very high | 90.2 | Very high | 133 Ų | 133 | 65.2 Ų | 65.2 | 62% | 0.621 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -65 | -50.1 | 175.3 | -73.5 | 177.9 | -10.9 | 0 | 0 | 112.5 | T917 A918 V919 V923 K924 S925 | T917-Q921 WeakPolarHBondContact O-CG 3.37Å; T917-Q921 PolarHBondContact O-N 2.99Å; A918-Q921 PolarHBondContact O-N 3.17Å; V919-Q921 VanDerWaalsContact C-N 3.34Å; V919-Q921 PolarHBondContact O-N 3.42Å; Q921-V923 PolarHBondContact O-N 2.72Å; Q921-K924 WeakPolarHBondContact O-CB 3.24Å; Q921-K924 PolarHBondContact O-N 2.98Å; Q921-S925 PolarHBondContact O-N 3.28Å; Q921-S925 PolarHBondContact O-OG 2.92Å |
| 922 | V | 92.8 | Very high | 90.7 | Very high | 14 Ų | 14 | 64.2 Ų | 64.2 | 9% | 0.085 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | -178.8 | 173.3 | 0 | 0 | 0 | 0 | 111.1 | L829 L832 R833 A918 V919 K924 S925 L926 | L829-V922 HydrophobicContact CD1-CB 4.42Å; L829-V922 HydrophobicContact CD1-CG2 4.16Å; L832-V922 HydrophobicContact CB-CG1 3.84Å; R833-V922 HydrophobicContact CG-CG2 3.73Å; A918-V922 WeakPolarHBondContact O-CG2 3.46Å; A918-V922 PolarHBondContact O-N 3.18Å; V919-V922 PolarHBondContact O-N 3.08Å; V922-K924 VanDerWaalsContact C-N 3.34Å; V922-K924 PolarHBondContact O-N 2.73Å; V922-S925 PolarHBondContact O-N 3.41Å; V922-L926 HydrophobicContact CG1-CD1 3.98Å; V922-L926 HydrophobicContact CG1-CG 4.41Å; V922-L926 WeakPolarHBondContact O-CB 3.38Å; V922-L926 VanDerWaalsContact O-CG 3.28Å; V922-L926 WeakPolarHBondContact O-CG 3.45Å; V922-L926 PolarHBondContact O-N 3.43Å |
| 923 | V | 93.2 | Very high | 91.1 | Very high | 40 Ų | 40 | 60.5 Ų | 60.5 | 24% | 0.242 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -65.7 | -35.7 | 176.3 | 173.5 | 0 | 0 | 0 | 0 | 111.9 | L901 A904 V919 Q921 N927 | L901-V923 HydrophobicContact CD2-CG1 4.13Å; A904-V923 HydrophobicContact CB-CG2 3.86Å; V919-V923 HydrophobicContact CG1-CG2 4.33Å; V919-V923 WeakPolarHBondContact O-CB 3.4Å; V919-V923 VanDerWaalsContact O-CG2 3.32Å; V919-V923 WeakPolarHBondContact O-CG2 3.27Å; V919-V923 PolarHBondContact O-N 3.38Å; Q921-V923 PolarHBondContact O-N 2.72Å; V923-N927 WeakPolarHBondContact O-CB 3.35Å; V923-N927 PolarHBondContact O-N 2.75Å; V923-N927 VanDerWaalsContact O-N 3.13Å |
| 924 | K | 93.8 | Very high | 91.3 | Very high | 123 Ų | 123 | 62.9 Ų | 62.9 | 54% | 0.535 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -61.6 | -52.2 | 171.5 | 178.9 | -174.1 | 168.8 | -173 | 0 | 110.8 | K920 Q921 V922 L926 N927 E928 | K920-K924 VanDerWaalsContact O-CB 3.25Å; K920-K924 WeakPolarHBondContact O-CB 3.46Å; K920-K924 PolarHBondContact O-N 3.18Å; Q921-K924 WeakPolarHBondContact O-CB 3.24Å; Q921-K924 PolarHBondContact O-N 2.98Å; V922-K924 VanDerWaalsContact C-N 3.34Å; V922-K924 PolarHBondContact O-N 2.73Å; K924-L926 PolarHBondContact O-N 2.81Å; K924-N927 WeakPolarHBondContact O-CB 3.17Å; K924-N927 PolarHBondContact O-N 3.05Å; K924-N927 VanDerWaalsContact O-N 3.13Å; K924-E928 VanDerWaalsContact CE-CD 3.41Å; K924-E928 WeakPolarHBondContact CE-OE1 3.32Å; K924-E928 WeakPolarHBondContact CE-OE2 3.31Å; K924-E928 HydrophobicContact CG-CG 4.47Å; K924-E928 IonicContact NZ-OE1 3.71Å; K924-E928 WeakPolarHBondContact O-CG 3.43Å; K924-E928 PolarHBondContact O-N 2.95Å |
| 925 | S | 94.3 | Very high | 91.6 | Very high | 44 Ų | 44 | 61.8 Ų | 61.8 | 31% | 0.308 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 179.9 | -61.5 | 0 | 0 | 0 | 0 | 112.2 | Q921 V922 N927 E928 R929 | Q921-S925 PolarHBondContact O-N 3.28Å; Q921-S925 PolarHBondContact O-OG 2.92Å; V922-S925 PolarHBondContact O-N 3.41Å; S925-N927 VanDerWaalsContact C-N 3.29Å; S925-N927 PolarHBondContact O-N 3.3Å; S925-E928 PolarHBondContact O-N 3.46Å; S925-R929 WeakPolarHBondContact O-CG 3.32Å; S925-R929 PolarHBondContact O-N 3.14Å |
| 926 | L | 92.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -56.6 | -41.5 | 175.1 | -73.3 | 167.8 | 0 | 0 | 0 | 112 | L832 L836 L897 L901 V922 K924 Y930 | L832-L926 HydrophobicContact CB-CD1 4.5Å; L832-L926 HydrophobicContact CD2-CD1 4.04Å; L836-L926 HydrophobicContact CB-CD2 3.89Å; L836-L926 HydrophobicContact CB-CG 4.44Å; L836-L926 HydrophobicContact CD1-CD2 3.97Å; L836-L926 HydrophobicContact CD1-CG 4.32Å; L836-L926 HydrophobicContact CG-CD2 4.48Å; L897-L926 HydrophobicContact CD2-CB 4.49Å; L897-L926 HydrophobicContact CD2-CD2 3.46Å; L897-L926 VanDerWaalsContact CD2-CD2 3.46Å; L901-L926 HydrophobicContact CD2-CB 3.69Å; L901-L926 HydrophobicContact CG-CB 4.01Å; V922-L926 HydrophobicContact CG1-CD1 3.98Å; V922-L926 HydrophobicContact CG1-CG 4.41Å; V922-L926 WeakPolarHBondContact O-CB 3.38Å; V922-L926 VanDerWaalsContact O-CG 3.28Å; V922-L926 WeakPolarHBondContact O-CG 3.45Å; V922-L926 PolarHBondContact O-N 3.43Å; K924-L926 PolarHBondContact O-N 2.81Å; L926-Y930 VanDerWaalsContact O-CB 3.23Å; L926-Y930 WeakPolarHBondContact O-CB 3.45Å; L926-Y930 PolarHBondContact O-N 3.16Å |
| 927 | N | 94.3 | Very high | 92 | Very high | 62 Ų | 62 | 63 Ų | 63 | 33% | 0.332 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71 | -37.2 | 178.6 | -174.1 | 24.5 | 0 | 0 | 0 | 112.7 | L901 V923 K924 S925 Y930 K931 | L901-N927 HydrophobicContact CD1-CB 4.43Å; L901-N927 HydrophobicContact CD2-CB 4.16Å; V923-N927 WeakPolarHBondContact O-CB 3.35Å; V923-N927 PolarHBondContact O-N 2.75Å; V923-N927 VanDerWaalsContact O-N 3.13Å; K924-N927 WeakPolarHBondContact O-CB 3.17Å; K924-N927 PolarHBondContact O-N 3.05Å; K924-N927 VanDerWaalsContact O-N 3.13Å; S925-N927 VanDerWaalsContact C-N 3.29Å; S925-N927 PolarHBondContact O-N 3.3Å; N927-Y930 PolarHBondContact O-N 2.91Å; N927-K931 VanDerWaalsContact O-CG 3.3Å; N927-K931 WeakPolarHBondContact O-CG 3.46Å; N927-K931 PolarHBondContact O-N 2.78Å; N927-K931 WeakPolarHBondContact OD1-CE 3.4Å |
| 928 | E | 95.1 | Very high | 92.1 | Very high | 100 Ų | 100 | 66.4 Ų | 66.4 | 47% | 0.467 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.8 | -45.1 | 176.1 | -73 | 174.4 | 164.1 | 0 | 0 | 111.4 | K924 S925 Y930 K931 S932 | K924-E928 VanDerWaalsContact CE-CD 3.41Å; K924-E928 WeakPolarHBondContact CE-OE1 3.32Å; K924-E928 WeakPolarHBondContact CE-OE2 3.31Å; K924-E928 HydrophobicContact CG-CG 4.47Å; K924-E928 IonicContact NZ-OE1 3.71Å; K924-E928 WeakPolarHBondContact O-CG 3.43Å; K924-E928 PolarHBondContact O-N 2.95Å; S925-E928 PolarHBondContact O-N 3.46Å; E928-Y930 PolarHBondContact O-N 2.7Å; E928-K931 PolarHBondContact O-N 2.95Å; E928-S932 WeakPolarHBondContact O-CB 3.41Å; E928-S932 PolarHBondContact O-N 3.28Å; E928-S932 VanDerWaalsContact O-N 3.09Å |
| 929 | R | 93.5 | Very high | 92.1 | Very high | 95 Ų | 95 | 71.1 Ų | 71.1 | 36% | 0.358 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.1 | -42.9 | 171.3 | -62.3 | -52.9 | 179.7 | 105.7 | 5.6 | 111.5 | L836 D840 L843 L897 S925 K931 S932 C933 | L836-R929 HydrophobicContact CD1-CG 4.13Å; D840-R929 IonicContact OD1-CZ 2.71Å; D840-R929 IonicContact OD1-NE 3.61Å; D840-R929 IonicContact OD1-NH1 3.73Å; D840-R929 PolarHBondContact OD1-NH1 2.71Å; D840-R929 IonicContact OD1-NH2 3.13Å; D840-R929 IonicContact OD2-CZ 3.29Å; D840-R929 IonicContact OD2-NH1 2.62Å; D840-R929 PolarHBondContact OD2-NH1 3.27Å; D840-R929 VanDerWaalsContact OD2-NH1 3.13Å; D840-R929 IonicContact OD2-NH2 3.95Å; D840-R929 PolarHBondContact OD2-NH2 2.98Å; L843-R929 HydrophobicContact CD1-CB 4.33Å; L843-R929 HydrophobicContact CD1-CG 4.45Å; L897-R929 HydrophobicContact CD1-CB 3.74Å; L897-R929 HydrophobicContact CD2-CB 4.23Å; S925-R929 WeakPolarHBondContact O-CG 3.32Å; S925-R929 PolarHBondContact O-N 3.14Å; R929-K931 PolarHBondContact O-N 3.38Å; R929-S932 WeakPolarHBondContact O-CB 3.41Å; R929-S932 PolarHBondContact O-N 3.38Å; R929-C933 PolarHBondContact O-N 2.98Å; R929-C933 PolarHBondContact O-SG 2.98Å |
| 930 | Y | 95 | Very high | 91.9 | Very high | 77 Ų | 77 | 71.4 Ų | 71.4 | 30% | 0.302 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -59.5 | -48.8 | 179.3 | 174.5 | -108.9 | 0 | 0 | 0 | 112 | A894 L897 A898 L901 L926 N927 E928 S932 C933 I934 | A894-Y930 HydrophobicContact CB-CD2 4.41Å; A894-Y930 HydrophobicContact CB-CE2 4.3Å; L897-Y930 HydrophobicContact CB-CD2 4.16Å; A898-Y930 HydrophobicContact CB-CD2 4.27Å; A898-Y930 HydrophobicContact CB-CE2 3.82Å; L901-Y930 HydrophobicContact CD1-CD1 4.4Å; L901-Y930 HydrophobicContact CD1-CG 4.16Å; L926-Y930 VanDerWaalsContact O-CB 3.23Å; L926-Y930 WeakPolarHBondContact O-CB 3.45Å; L926-Y930 PolarHBondContact O-N 3.16Å; N927-Y930 PolarHBondContact O-N 2.91Å; E928-Y930 PolarHBondContact O-N 2.7Å; Y930-S932 VanDerWaalsContact C-N 3.3Å; Y930-S932 PolarHBondContact O-N 3.03Å; Y930-C933 WeakPolarHBondContact O-CB 3.23Å; Y930-C933 PolarHBondContact O-N 3.3Å; Y930-I934 HydrophobicContact CD2-CG1 4.3Å; Y930-I934 HydrophobicContact CE1-CG1 4.16Å; Y930-I934 HydrophobicContact CE2-CD1 3.97Å; Y930-I934 HydrophobicContact CE2-CG1 3.81Å; Y930-I934 WeakPolarHBondContact O-CG1 3.37Å; Y930-I934 PolarHBondContact O-N 3.46Å |
| 931 | K | 93.1 | Very high | 91.6 | Very high | 129 Ų | 129 | 67.4 Ų | 67.4 | 56% | 0.561 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -59.2 | -41.7 | 176.2 | -72.5 | 169.8 | 179.9 | 179.2 | 0 | 112.1 | N927 E928 R929 I934 A935 | N927-K931 VanDerWaalsContact O-CG 3.3Å; N927-K931 WeakPolarHBondContact O-CG 3.46Å; N927-K931 PolarHBondContact O-N 2.78Å; N927-K931 WeakPolarHBondContact OD1-CE 3.4Å; E928-K931 PolarHBondContact O-N 2.95Å; R929-K931 PolarHBondContact O-N 3.38Å; K931-I934 PolarHBondContact O-N 3.03Å; K931-A935 PolarHBondContact O-N 3.27Å |
| 932 | S | 93.8 | Very high | 91.1 | Very high | 49 Ų | 49 | 66.1 Ų | 66.1 | 34% | 0.343 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -60.3 | -48.6 | 175.1 | -171 | 0 | 0 | 0 | 0 | 111.6 | E928 R929 Y930 I934 A935 F936 | E928-S932 WeakPolarHBondContact O-CB 3.41Å; E928-S932 PolarHBondContact O-N 3.28Å; E928-S932 VanDerWaalsContact O-N 3.09Å; R929-S932 WeakPolarHBondContact O-CB 3.41Å; R929-S932 PolarHBondContact O-N 3.38Å; Y930-S932 VanDerWaalsContact C-N 3.3Å; Y930-S932 PolarHBondContact O-N 3.03Å; S932-I934 PolarHBondContact O-N 3.46Å; S932-A935 PolarHBondContact O-N 3.47Å; S932-A935 VanDerWaalsContact O-N 3.17Å; S932-F936 VanDerWaalsContact O-CD2 3.25Å; S932-F936 WeakPolarHBondContact O-CD2 3.42Å; S932-F936 PolarHBondContact O-N 3.1Å; S932-F936 WeakPolarHBondContact OG-CE2 3.33Å |
| 933 | C | 92.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.9 | -46.4 | 176.8 | -59.8 | 0 | 0 | 0 | 0 | 112 | L843 A894 L897 R929 Y930 A935 F936 C937 | L843-C933 VanDerWaalsContact CD2-SG 3.57Å; A894-C933 HydrophobicContact CB-CB 3.83Å; L897-C933 VanDerWaalsContact CD1-SG 3.57Å; R929-C933 PolarHBondContact O-N 2.98Å; R929-C933 PolarHBondContact O-SG 2.98Å; Y930-C933 WeakPolarHBondContact O-CB 3.23Å; Y930-C933 PolarHBondContact O-N 3.3Å; C933-A935 VanDerWaalsContact C-N 3.33Å; C933-A935 PolarHBondContact O-N 2.81Å; C933-F936 PolarHBondContact O-N 3.18Å; C933-C937 WeakPolarHBondContact O-CB 3.48Å; C933-C937 PolarHBondContact O-N 3.04Å; C933-C937 PolarHBondContact O-SG 3.17Å |
| 934 | I | 91.8 | Very high | 89.8 | Confident | 51 Ų | 51 | 68.8 Ų | 68.8 | 26% | 0.262 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.1 | -35.9 | 179.9 | -65.1 | -64.3 | 0 | 0 | 0 | 111.7 | A894 Y930 K931 S932 R938 | A894-I934 HydrophobicContact CB-CD1 3.93Å; Y930-I934 HydrophobicContact CD2-CG1 4.3Å; Y930-I934 HydrophobicContact CE1-CG1 4.16Å; Y930-I934 HydrophobicContact CE2-CD1 3.97Å; Y930-I934 HydrophobicContact CE2-CG1 3.81Å; Y930-I934 WeakPolarHBondContact O-CG1 3.37Å; Y930-I934 PolarHBondContact O-N 3.46Å; K931-I934 PolarHBondContact O-N 3.03Å; S932-I934 PolarHBondContact O-N 3.46Å; I934-R938 WeakPolarHBondContact O-CG 3.26Å; I934-R938 PolarHBondContact O-N 3.07Å |
| 935 | A | 91.3 | Very high | 88.8 | Confident | 60 Ų | 60 | 66.7 Ų | 66.7 | 50% | 0.496 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -66.6 | -45.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112 | K931 S932 C933 R938 H939 | K931-A935 PolarHBondContact O-N 3.27Å; S932-A935 PolarHBondContact O-N 3.47Å; S932-A935 VanDerWaalsContact O-N 3.17Å; C933-A935 VanDerWaalsContact C-N 3.33Å; C933-A935 PolarHBondContact O-N 2.81Å; A935-R938 PolarHBondContact O-N 3.31Å; A935-H939 PolarHBondContact O-N 3.03Å; A935-H939 VanDerWaalsContact O-N 3.08Å |
| 936 | F | 90.3 | Very high | 87.4 | Confident | 89 Ų | 89 | 72.1 Ų | 72.1 | 39% | 0.39 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 175.7 | -77.2 | -63.1 | 0 | 0 | 0 | 112.9 | Y890 S932 C933 R938 H939 L940 | Y890-F936 HydrophobicContact CD1-CB 4.03Å; Y890-F936 HydrophobicContact CD1-CD2 4.48Å; Y890-F936 HydrophobicContact CD2-CB 4.06Å; Y890-F936 HydrophobicContact CE1-CB 4.06Å; Y890-F936 AromaticContact CE1-CD2 3.88Å; Y890-F936 HydrophobicContact CE1-CD2 3.88Å; Y890-F936 HydrophobicContact CE1-CG 4.08Å; Y890-F936 HydrophobicContact CE2-CB 4.09Å; Y890-F936 HydrophobicContact CE2-CG 4.36Å; Y890-F936 HydrophobicContact CG-CB 4.06Å; S932-F936 VanDerWaalsContact O-CD2 3.25Å; S932-F936 WeakPolarHBondContact O-CD2 3.42Å; S932-F936 PolarHBondContact O-N 3.1Å; S932-F936 WeakPolarHBondContact OG-CE2 3.33Å; C933-F936 PolarHBondContact O-N 3.18Å; F936-R938 PolarHBondContact O-N 2.97Å; F936-H939 PolarHBondContact O-N 3.34Å; F936-L940 WeakPolarHBondContact O-CB 3.4Å; F936-L940 WeakPolarHBondContact O-CG 3.3Å; F936-L940 PolarHBondContact O-N 3.28Å |
| 937 | C | 89 | Confident | 86.2 | Confident | 14 Ų | 14 | 73.4 Ų | 73.4 | 10% | 0.095 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -56.4 | -51.8 | 174.6 | -69.9 | 0 | 0 | 0 | 0 | 110.9 | L887 Y890 C933 H939 L940 T941 | L887-C937 HydrophobicContact CD1-CB 4.16Å; Y890-C937 VanDerWaalsContact C-SG 3.58Å; C933-C937 WeakPolarHBondContact O-CB 3.48Å; C933-C937 PolarHBondContact O-N 3.04Å; C933-C937 PolarHBondContact O-SG 3.17Å; C937-H939 PolarHBondContact O-N 3.31Å; C937-L940 PolarHBondContact O-N 3.15Å; C937-T941 WeakPolarHBondContact O-CB 3.3Å; C937-T941 PolarHBondContact O-N 3.38Å; C937-T941 PolarHBondContact O-OG1 2.83Å; C937-T941 VanDerWaalsContact O-OG1 3.08Å |
| 938 | R | 87.8 | Confident | 84.8 | Confident | 169 Ų | 169 | 74.3 Ų | 74.3 | 64% | 0.638 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -56.9 | -51.6 | 177.7 | -71 | 172.1 | -177.5 | -174.2 | -1.3 | 111.3 | I934 A935 F936 L940 T941 D942 | I934-R938 WeakPolarHBondContact O-CG 3.26Å; I934-R938 PolarHBondContact O-N 3.07Å; A935-R938 PolarHBondContact O-N 3.31Å; F936-R938 PolarHBondContact O-N 2.97Å; R938-L940 VanDerWaalsContact C-N 3.28Å; R938-L940 PolarHBondContact O-N 2.93Å; R938-T941 PolarHBondContact O-N 3.22Å; R938-D942 WeakPolarHBondContact O-CB 3.18Å; R938-D942 PolarHBondContact O-N 2.71Å; R938-D942 VanDerWaalsContact O-OD2 3.14Å |
| 939 | H | 88.1 | Confident | 83.2 | Confident | 115 Ų | 115 | 73.9 Ų | 73.9 | 53% | 0.532 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.3 | -33.8 | -179.1 | -175.9 | 65.9 | 0 | 0 | 0 | 114 | A935 F936 C937 K943 | A935-H939 PolarHBondContact O-N 3.03Å; A935-H939 VanDerWaalsContact O-N 3.08Å; F936-H939 PolarHBondContact O-N 3.34Å; C937-H939 PolarHBondContact O-N 3.31Å; H939-K943 WeakPolarHBondContact O-CG 3.36Å; H939-K943 PolarHBondContact O-N 2.95Å |
| 940 | L | 85.1 | Confident | 81.5 | Confident | 9 Ų | 9 | 75.8 Ų | 75.8 | 5% | 0.047 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -77.9 | -41.5 | 174.9 | -74.1 | 167.2 | 0 | 0 | 0 | 112.1 | Q883 Q886 L887 Y890 F936 C937 R938 K943 L944 | Q883-L940 HydrophobicContact CB-CD2 4.13Å; Q883-L940 HydrophobicContact CG-CD2 4.14Å; Q886-L940 HydrophobicContact CB-CD1 3.81Å; L887-L940 HydrophobicContact CB-CB 4.24Å; L887-L940 HydrophobicContact CB-CD1 4.38Å; L887-L940 HydrophobicContact CD1-CB 4.13Å; Y890-L940 HydrophobicContact CD2-CD1 3.61Å; Y890-L940 HydrophobicContact CE2-CD1 3.95Å; F936-L940 WeakPolarHBondContact O-CB 3.4Å; F936-L940 WeakPolarHBondContact O-CG 3.3Å; F936-L940 PolarHBondContact O-N 3.28Å; C937-L940 PolarHBondContact O-N 3.15Å; R938-L940 VanDerWaalsContact C-N 3.28Å; R938-L940 PolarHBondContact O-N 2.93Å; L940-K943 PolarHBondContact O-N 3.2Å; L940-L944 WeakPolarHBondContact O-CB 3.19Å; L940-L944 VanDerWaalsContact O-CG 3.3Å; L940-L944 WeakPolarHBondContact O-CG 3.41Å; L940-L944 PolarHBondContact O-N 3.45Å |
| 941 | T | 84 | Confident | 79.6 | Confident | 43 Ų | 43 | 76 Ų | 76 | 26% | 0.264 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -57.3 | -49.7 | 171.4 | -63.7 | 0 | 0 | 0 | 0 | 110.8 | C937 R938 K943 L944 N945 | C937-T941 WeakPolarHBondContact O-CB 3.3Å; C937-T941 PolarHBondContact O-N 3.38Å; C937-T941 PolarHBondContact O-OG1 2.83Å; C937-T941 VanDerWaalsContact O-OG1 3.08Å; R938-T941 PolarHBondContact O-N 3.22Å; T941-K943 PolarHBondContact O-N 3.02Å; T941-L944 CarbonylContact O-C 3.56Å; T941-L944 PolarHBondContact O-N 3Å; T941-L944 VanDerWaalsContact O-N 3.07Å; T941-N945 WeakPolarHBondContact CG2-OD1 3.37Å; T941-N945 PolarHBondContact O-N 3.11Å; T941-N945 PolarHBondContact O-ND2 3.39Å; T941-N945 PolarHBondContact O-OD1 3.3Å |
| 942 | D | 82.3 | Confident | 77.6 | Confident | 106 Ų | 106 | 78.1 Ų | 78.1 | 57% | 0.567 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -57.8 | -36.7 | -179.2 | -65.6 | -27.9 | 0 | 0 | 0 | 112.3 | R938 | R938-D942 WeakPolarHBondContact O-CB 3.18Å; R938-D942 PolarHBondContact O-N 2.71Å; R938-D942 VanDerWaalsContact O-OD2 3.14Å |
| 943 | K | 80.4 | Confident | 75.5 | Confident | 107 Ų | 107 | 86.9 Ų | 86.9 | 47% | 0.465 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.1 | -45 | 173.1 | -78.6 | 172 | 165.3 | 171.9 | 0 | 113.1 | H939 L940 T941 N945 | H939-K943 WeakPolarHBondContact O-CG 3.36Å; H939-K943 PolarHBondContact O-N 2.95Å; L940-K943 PolarHBondContact O-N 3.2Å; T941-K943 PolarHBondContact O-N 3.02Å; K943-N945 VanDerWaalsContact C-N 3.35Å |
| 944 | L | 77.9 | Confident | 73.5 | Confident | 3 Ų | 3 | 90.2 Ų | 90.2 | 2% | 0.016 | 43% | 0.433 | C | S | . | . | H | α-helix | trans | -79.3 | -14.1 | -175 | -69.6 | 168 | 0 | 0 | 0 | 113.4 | Q883 V884 L887 L940 T941 H946 F947 F948 | Q883-L944 HydrophobicContact CB-CD1 4.25Å; Q883-L944 HydrophobicContact CB-CD2 4.06Å; Q883-L944 HydrophobicContact CB-CG 4.4Å; V884-L944 HydrophobicContact CG2-CD1 4.07Å; V884-L944 HydrophobicContact CG2-CD2 4Å; L887-L944 HydrophobicContact CB-CD1 4.3Å; L887-L944 HydrophobicContact CD2-CD1 3.91Å; L940-L944 WeakPolarHBondContact O-CB 3.19Å; L940-L944 VanDerWaalsContact O-CG 3.3Å; L940-L944 WeakPolarHBondContact O-CG 3.41Å; L940-L944 PolarHBondContact O-N 3.45Å; T941-L944 CarbonylContact O-C 3.56Å; T941-L944 PolarHBondContact O-N 3Å; T941-L944 VanDerWaalsContact O-N 3.07Å; L944-H946 PolarHBondContact O-N 3.41Å; L944-H946 VanDerWaalsContact O-N 3.17Å; L944-F947 HydrophobicContact CD2-CB 4.29Å; L944-F947 HydrophobicContact CD2-CD1 4.18Å; L944-F947 HydrophobicContact CD2-CG 4.39Å; L944-F947 WeakPolarHBondContact O-CA 3.33Å; L944-F947 WeakPolarHBondContact O-CB 3.08Å; L944-F947 PolarHBondContact O-N 2.91Å; L944-F948 HydrophobicContact CB-CD2 3.88Å; L944-F948 HydrophobicContact CB-CE2 3.46Å; L944-F948 VanDerWaalsContact CB-CE2 3.46Å; L944-F948 HydrophobicContact CB-CZ 4.03Å; L944-F948 HydrophobicContact CD1-CE2 4.29Å; L944-F948 HydrophobicContact CD1-CZ 4.21Å; L944-F948 HydrophobicContact CG-CE2 4.45Å; L944-F948 VanDerWaalsContact O-CD2 3.23Å; L944-F948 WeakPolarHBondContact O-CD2 3.27Å; L944-F948 WeakPolarHBondContact O-CG 3.24Å; L944-F948 PolarHBondContact O-N 2.98Å |
| 945 | N | 72.1 | Confident | 71.7 | Confident | 78 Ų | 78 | 91 Ų | 91 | 42% | 0.417 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -55 | -32.8 | 176 | -76.5 | -22.8 | 0 | 0 | 0 | 113.1 | T941 K943 S949 | T941-N945 WeakPolarHBondContact CG2-OD1 3.37Å; T941-N945 PolarHBondContact O-N 3.11Å; T941-N945 PolarHBondContact O-ND2 3.39Å; T941-N945 PolarHBondContact O-OD1 3.3Å; K943-N945 VanDerWaalsContact C-N 3.35Å; N945-S949 PolarHBondContact O-N 3.08Å; N945-S949 PolarHBondContact O-OG 3.28Å |
| 946 | H | 66 | Low | 69.6 | Low | 158 Ų | 158 | 94.5 Ų | 94.5 | 73% | 0.731 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -71.7 | -47.2 | 173 | -134.3 | 62.6 | 0 | 0 | 0 | 111.1 | L944 F948 S949 | L944-H946 PolarHBondContact O-N 3.41Å; L944-H946 VanDerWaalsContact O-N 3.17Å; H946-F948 PolarHBondContact O-N 3.46Å; H946-S949 WeakPolarHBondContact O-CB 3.39Å; H946-S949 PolarHBondContact O-N 2.83Å; H946-S949 VanDerWaalsContact O-N 3.11Å |
| 947 | F | 66.6 | Low | 67.7 | Low | 27 Ų | 27 | 94.6 Ų | 94.6 | 12% | 0.118 | 45% | 0.453 | C | S | . | . | H | α-helix | trans | -60 | -41.7 | 179.2 | 175.4 | -98.3 | 0 | 0 | 0 | 113.3 | L877 E880 V884 L944 S949 | L877-F947 HydrophobicContact CD2-CE2 4.14Å; E880-F947 HydrophobicContact CB-CD2 3.8Å; E880-F947 HydrophobicContact CB-CE2 3.66Å; E880-F947 HydrophobicContact CB-CG 4.45Å; E880-F947 HydrophobicContact CB-CZ 4.22Å; E880-F947 HydrophobicContact CG-CD2 4Å; E880-F947 HydrophobicContact CG-CE2 4.28Å; E880-F947 VanDerWaalsContact OE2-CD2 3.23Å; E880-F947 WeakPolarHBondContact OE2-CD2 3.47Å; E880-F947 VanDerWaalsContact OE2-CE2 3.24Å; E880-F947 WeakPolarHBondContact OE2-CE2 3.22Å; V884-F947 HydrophobicContact CG2-CE1 4.18Å; L944-F947 HydrophobicContact CD2-CB 4.29Å; L944-F947 HydrophobicContact CD2-CD1 4.18Å; L944-F947 HydrophobicContact CD2-CG 4.39Å; L944-F947 WeakPolarHBondContact O-CA 3.33Å; L944-F947 WeakPolarHBondContact O-CB 3.08Å; L944-F947 PolarHBondContact O-N 2.91Å; F947-S949 VanDerWaalsContact C-N 3.28Å; F947-S949 PolarHBondContact O-N 3.35Å |
| 948 | F | 65.6 | Low | 66 | Low | 82 Ų | 82 | 96.1 Ų | 96.1 | 36% | 0.36 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -70.2 | -22 | 177.3 | -65.1 | -48 | 0 | 0 | 0 | 113.4 | V884 L944 H946 I958 | V884-F948 HydrophobicContact CG2-CE1 4.23Å; V884-F948 HydrophobicContact CG2-CZ 4.21Å; L944-F948 HydrophobicContact CB-CD2 3.88Å; L944-F948 HydrophobicContact CB-CE2 3.46Å; L944-F948 VanDerWaalsContact CB-CE2 3.46Å; L944-F948 HydrophobicContact CB-CZ 4.03Å; L944-F948 HydrophobicContact CD1-CE2 4.29Å; L944-F948 HydrophobicContact CD1-CZ 4.21Å; L944-F948 HydrophobicContact CG-CE2 4.45Å; L944-F948 VanDerWaalsContact O-CD2 3.23Å; L944-F948 WeakPolarHBondContact O-CD2 3.27Å; L944-F948 WeakPolarHBondContact O-CG 3.24Å; L944-F948 PolarHBondContact O-N 2.98Å; H946-F948 PolarHBondContact O-N 3.46Å; F948-I958 HydrophobicContact CD1-CD1 4.08Å; F948-I958 HydrophobicContact CE1-CD1 3.84Å |
| 949 | S | 61.4 | Low | 64.2 | Low | 90 Ų | 90 | 93.4 Ų | 93.4 | 63% | 0.629 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -73.5 | -33.8 | -178.4 | -64.4 | 0 | 0 | 0 | 0 | 113.5 | N945 H946 F947 | N945-S949 PolarHBondContact O-N 3.08Å; N945-S949 PolarHBondContact O-OG 3.28Å; H946-S949 WeakPolarHBondContact O-CB 3.39Å; H946-S949 PolarHBondContact O-N 2.83Å; H946-S949 VanDerWaalsContact O-N 3.11Å; F947-S949 VanDerWaalsContact C-N 3.28Å; F947-S949 PolarHBondContact O-N 3.35Å |
| 950 | D | 58 | Low | 62.8 | Low | 136 Ų | 136 | 90.3 Ų | 90.3 | 73% | 0.727 | 45% | 0.449 | S | S | * | . | S | Bend | trans | -79.4 | -19 | -171.8 | -89.2 | -14.3 | 0 | 0 | 0 | 114.7 | ||
| 951 | K | 55.3 | Low | 61.9 | Low | 80 Ų | 80 | 90.6 Ų | 90.6 | 35% | 0.348 | 45% | 0.451 | S | S | . | . | trans | -140.8 | 74 | -161.7 | -63.7 | -178.7 | -169 | 160.9 | 0 | 115.3 | R953 F954 | K951-R953 PolarHBondContact O-N 3.49Å; K951-F954 HydrophobicContact CB-CB 4.35Å; K951-F954 HydrophobicContact CB-CD2 3.87Å; K951-F954 HydrophobicContact CB-CG 4.45Å; K951-F954 HydrophobicContact CD-CD2 3.75Å; K951-F954 HydrophobicContact CD-CE2 3.83Å; K951-F954 HydrophobicContact CG-CD2 4.32Å; K951-F954 PolarHBondContact O-N 3.06Å | ||
| 952 | Q | 51.6 | Low | 61.9 | Low | 174 Ų | 174 | 91.2 Ų | 91.2 | 81% | 0.813 | 46% | 0.455 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -20.2 | 168.6 | -141.5 | 91.1 | 31.4 | 0 | 0 | 114.5 | ||
| 953 | R | 48 | Very low | 62 | Low | 233 Ų | 233 | 86.3 Ų | 86.3 | 88% | 0.879 | 43% | 0.429 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81 | -14.1 | 177.8 | -69.7 | -169.9 | -178.4 | -171.7 | 2.1 | 115.4 | K951 | K951-R953 PolarHBondContact O-N 3.49Š|
| 954 | F | 51.7 | Low | 62.4 | Low | 70 Ų | 70 | 83.3 Ų | 83.3 | 31% | 0.307 | 42% | 0.417 | S | S | . | . | S | Bend | trans | -88.7 | -5.8 | -178.4 | -90.4 | -101.3 | 0 | 0 | 0 | 113.8 | K951 D956 E957 I958 | K951-F954 HydrophobicContact CB-CB 4.35Å; K951-F954 HydrophobicContact CB-CD2 3.87Å; K951-F954 HydrophobicContact CB-CG 4.45Å; K951-F954 HydrophobicContact CD-CD2 3.75Å; K951-F954 HydrophobicContact CD-CE2 3.83Å; K951-F954 HydrophobicContact CG-CD2 4.32Å; K951-F954 PolarHBondContact O-N 3.06Å; F954-D956 VanDerWaalsContact C-N 3.28Å; F954-D956 PolarHBondContact O-N 2.98Å; F954-E957 WeakPolarHBondContact CD1-OE2 3.4Å; F954-E957 VanDerWaalsContact CE1-OE2 3.31Å; F954-E957 WeakPolarHBondContact CE1-OE2 3.38Å; F954-E957 PolarHBondContact O-N 2.76Å; F954-I958 HydrophobicContact CB-CD1 4.44Å; F954-I958 WeakPolarHBondContact O-CG1 3.31Å; F954-I958 PolarHBondContact O-N 3.3Å |
| 955 | V | 52.8 | Low | 62.8 | Low | 69 Ų | 69 | 87.9 Ų | 87.9 | 42% | 0.418 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -58.5 | -38 | -178.1 | -179.6 | 0 | 0 | 0 | 0 | 112.1 | E957 I958 N959 | V955-E957 VanDerWaalsContact C-N 3.31Å; V955-E957 PolarHBondContact O-N 3.02Å; V955-I958 PolarHBondContact O-N 3.43Å; V955-N959 WeakPolarHBondContact O-CB 3.26Å; V955-N959 PolarHBondContact O-N 2.97Å; V955-N959 PolarHBondContact O-ND2 3.4Å; V955-N959 VanDerWaalsContact O-ND2 3.08Å |
| 956 | D | 48.8 | Very low | 63.6 | Low | 133 Ų | 133 | 84.9 Ų | 84.9 | 71% | 0.711 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -69.5 | -26.6 | 178.3 | -68.4 | -36.3 | 0 | 0 | 0 | 113.5 | F954 | F954-D956 VanDerWaalsContact C-N 3.28Å; F954-D956 PolarHBondContact O-N 2.98Å |
| 957 | E | 50.3 | Low | 64.8 | Low | 90 Ų | 90 | 77.3 Ų | 77.3 | 42% | 0.421 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -80.5 | -40.2 | 175.7 | -154.8 | -176.4 | -140.8 | 0 | 0 | 110.9 | W881 F954 V955 N959 S960 | W881-E957 HydrophobicContact CZ2-CG 4.01Å; W881-E957 PolarHBondContact NE1-OE2 3.31Å; F954-E957 WeakPolarHBondContact CD1-OE2 3.4Å; F954-E957 VanDerWaalsContact CE1-OE2 3.31Å; F954-E957 WeakPolarHBondContact CE1-OE2 3.38Å; F954-E957 PolarHBondContact O-N 2.76Å; V955-E957 VanDerWaalsContact C-N 3.31Å; V955-E957 PolarHBondContact O-N 3.02Å; E957-N959 VanDerWaalsContact C-N 3.28Å; E957-N959 PolarHBondContact O-N 3.23Å; E957-S960 VanDerWaalsContact O-CB 3.27Å; E957-S960 WeakPolarHBondContact O-CB 3.45Å; E957-S960 PolarHBondContact O-N 3.49Å; E957-S960 PolarHBondContact O-OG 2.89Å |
| 958 | I | 51.4 | Low | 66 | Low | 47 Ų | 47 | 79.1 Ų | 79.1 | 24% | 0.241 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -59.6 | -39.1 | 172.1 | -65.7 | 161 | 0 | 0 | 0 | 110.7 | F948 F954 V955 S960 V961 | F948-I958 HydrophobicContact CD1-CD1 4.08Å; F948-I958 HydrophobicContact CE1-CD1 3.84Å; F954-I958 HydrophobicContact CB-CD1 4.44Å; F954-I958 WeakPolarHBondContact O-CG1 3.31Å; F954-I958 PolarHBondContact O-N 3.3Å; V955-I958 PolarHBondContact O-N 3.43Å; I958-S960 PolarHBondContact O-N 3.18Å; I958-V961 PolarHBondContact O-N 3.38Å |
| 959 | N | 51.4 | Low | 67.1 | Low | 112 Ų | 112 | 78.7 Ų | 78.7 | 60% | 0.599 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -12.3 | 173.3 | -75.2 | -34.4 | 0 | 0 | 0 | 114 | V955 E957 | V955-N959 WeakPolarHBondContact O-CB 3.26Å; V955-N959 PolarHBondContact O-N 2.97Å; V955-N959 PolarHBondContact O-ND2 3.4Å; V955-N959 VanDerWaalsContact O-ND2 3.08Å; E957-N959 VanDerWaalsContact C-N 3.28Å; E957-N959 PolarHBondContact O-N 3.23Å |
| 960 | S | 58.3 | Low | 68.5 | Low | 49 Ų | 49 | 75.8 Ų | 75.8 | 34% | 0.343 | 37% | 0.369 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -5.5 | 175.7 | 86.1 | 0 | 0 | 0 | 0 | 114.4 | E957 I958 K965 | E957-S960 VanDerWaalsContact O-CB 3.27Å; E957-S960 WeakPolarHBondContact O-CB 3.45Å; E957-S960 PolarHBondContact O-N 3.49Å; E957-S960 PolarHBondContact O-OG 2.89Å; I958-S960 PolarHBondContact O-N 3.18Å; S960-K965 PolarHBondContact O-NZ 3.08Å |
| 961 | V | 66.9 | Low | 70.1 | Confident | 16 Ų | 16 | 69.3 Ų | 69.3 | 10% | 0.097 | 34% | 0.335 | C | S | . | . | trans | -102.8 | 89.9 | -176.3 | -176 | 0 | 0 | 0 | 0 | 110.1 | W881 E885 V888 I958 L966 | W881-V961 HydrophobicContact CH2-CG2 3.33Å; W881-V961 HydrophobicContact CZ2-CG2 4.09Å; W881-V961 HydrophobicContact CZ3-CG2 3.68Å; E885-V961 HydrophobicContact CG-CG1 4.27Å; V888-V961 HydrophobicContact CG2-CG1 4.4Å; I958-V961 PolarHBondContact O-N 3.38Å; V961-L966 HydrophobicContact CG1-CD1 4.03Å | ||
| 962 | T | 82.6 | Confident | 71.7 | Confident | 55 Ų | 55 | 67.4 Ų | 67.4 | 34% | 0.337 | 33% | 0.33 | S | S | . | . | trans | -101.9 | 144.8 | 174 | 64 | 0 | 0 | 0 | 0 | 111 | E964 K965 L966 | T962-E964 PolarHBondContact O-N 3.35Å; T962-K965 PolarHBondContact O-N 3.1Å; T962-K965 VanDerWaalsContact OG1-CB 3.22Å; T962-K965 WeakPolarHBondContact OG1-CB 3.43Å; T962-K965 PolarHBondContact OG1-N 2.69Å; T962-L966 PolarHBondContact O-N 3.47Å; T962-L966 VanDerWaalsContact O-N 3.1Å | ||
| 963 | A | 85.2 | Confident | 73.4 | Confident | 4 Ų | 4 | 62.9 Ų | 62.9 | 3% | 0.033 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62.1 | -35.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | V888 L889 K892 K965 L966 I967 | V888-A963 HydrophobicContact CG1-CB 3.87Å; L889-A963 HydrophobicContact CD2-CB 4.47Å; K892-A963 HydrophobicContact CB-CB 3.46Å; K892-A963 VanDerWaalsContact CB-CB 3.46Å; K892-A963 HydrophobicContact CD-CB 4.05Å; K892-A963 HydrophobicContact CG-CB 3.6Å; A963-K965 VanDerWaalsContact C-N 3.34Å; A963-K965 PolarHBondContact O-N 2.86Å; A963-L966 PolarHBondContact O-N 2.94Å; A963-I967 WeakPolarHBondContact O-CB 3.47Å; A963-I967 WeakPolarHBondContact O-CD1 3.46Å; A963-I967 WeakPolarHBondContact O-CG1 3.16Å; A963-I967 PolarHBondContact O-N 3.42Å |
| 964 | E | 88.8 | Confident | 75.4 | Confident | 44 Ų | 44 | 52.5 Ų | 52.5 | 21% | 0.206 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -57.3 | -44.8 | 175.3 | -65.3 | 74.1 | -168.1 | 0 | 0 | 111.6 | K892 T962 Y968 L1004 I1007 | K892-E964 WeakPolarHBondContact CE-OE1 3.49Å; K892-E964 IonicContact NZ-OE1 3.95Å; K892-E964 PolarHBondContact NZ-OE1 3.49Å; T962-E964 PolarHBondContact O-N 3.35Å; E964-Y968 WeakPolarHBondContact O-CB 3.11Å; E964-Y968 PolarHBondContact O-N 3.05Å; E964-L1004 HydrophobicContact CB-CD1 4.04Å; E964-L1004 HydrophobicContact CG-CD1 4.4Å; E964-I1007 HydrophobicContact CG-CD1 4.11Å; E964-I1007 HydrophobicContact CG-CG1 4.47Å |
| 965 | K | 86.3 | Confident | 77.3 | Confident | 98 Ų | 98 | 51 Ų | 51 | 43% | 0.426 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -69.2 | -41 | 177.3 | 177 | -179.7 | 166.5 | -169.1 | 0 | 111.8 | S960 T962 A963 Y968 N969 | S960-K965 PolarHBondContact O-NZ 3.08Å; T962-K965 PolarHBondContact O-N 3.1Å; T962-K965 VanDerWaalsContact OG1-CB 3.22Å; T962-K965 WeakPolarHBondContact OG1-CB 3.43Å; T962-K965 PolarHBondContact OG1-N 2.69Å; A963-K965 VanDerWaalsContact C-N 3.34Å; A963-K965 PolarHBondContact O-N 2.86Å; K965-Y968 PolarHBondContact O-N 3.04Å; K965-N969 WeakPolarHBondContact O-CB 3.46Å; K965-N969 PolarHBondContact O-N 3.43Å; K965-N969 PolarHBondContact O-OD1 3.09Å |
| 966 | L | 89.2 | Confident | 78.8 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 8% | 0.079 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 174.8 | -66.5 | 174.6 | 0 | 0 | 0 | 111.7 | M845 E885 V888 L889 V961 T962 A963 N969 H970 | M845-L966 HydrophobicContact CE-CB 4.46Å; M845-L966 WeakPolarHBondContact CE-O 3.12Å; E885-L966 HydrophobicContact CB-CD1 4.03Å; E885-L966 HydrophobicContact CG-CD1 4.16Å; E885-L966 HydrophobicContact CG-CD2 4.21Å; E885-L966 WeakPolarHBondContact OE1-CD2 3.46Å; V888-L966 HydrophobicContact CG1-CD1 4.45Å; L889-L966 HydrophobicContact CD1-CD1 4.29Å; L889-L966 HydrophobicContact CD2-CB 4.01Å; L889-L966 HydrophobicContact CD2-CD1 4.14Å; L889-L966 HydrophobicContact CG-CD1 3.95Å; V961-L966 HydrophobicContact CG1-CD1 4.03Å; T962-L966 PolarHBondContact O-N 3.47Å; T962-L966 VanDerWaalsContact O-N 3.1Å; A963-L966 PolarHBondContact O-N 2.94Å; L966-N969 PolarHBondContact O-N 3.08Å; L966-H970 WeakPolarHBondContact O-CB 3.45Å; L966-H970 PolarHBondContact O-N 2.96Å |
| 967 | I | 90.8 | Very high | 80.6 | Confident | 0 Ų | 0 | 48.6 Ų | 48.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 176.4 | -70.9 | 163.1 | 0 | 0 | 0 | 111.1 | F838 I842 M845 L889 A963 A971 L1000 L1004 I1007 | F838-I967 HydrophobicContact CE2-CG2 4.11Å; F838-I967 HydrophobicContact CZ-CD1 4.24Å; F838-I967 HydrophobicContact CZ-CG2 4.32Å; I842-I967 HydrophobicContact CD1-CD1 3.64Å; I842-I967 HydrophobicContact CD1-CG1 4.48Å; I842-I967 HydrophobicContact CG1-CD1 3.83Å; I842-I967 HydrophobicContact CG1-CG1 4.14Å; M845-I967 HydrophobicContact CE-CG1 4.28Å; M845-I967 HydrophobicContact SD-CG1 4.36Å; L889-I967 HydrophobicContact CD2-CG1 4.36Å; A963-I967 WeakPolarHBondContact O-CB 3.47Å; A963-I967 WeakPolarHBondContact O-CD1 3.46Å; A963-I967 WeakPolarHBondContact O-CG1 3.16Å; A963-I967 PolarHBondContact O-N 3.42Å; I967-A971 WeakPolarHBondContact O-CB 3.33Å; I967-A971 PolarHBondContact O-N 3.17Å; I967-L1000 HydrophobicContact CG2-CD2 4.36Å; I967-L1004 HydrophobicContact CG2-CB 4.31Å; I967-L1004 HydrophobicContact CG2-CD1 4.37Å; I967-I1007 HydrophobicContact CD1-CD1 4.35Å |
| 968 | Y | 90.7 | Very high | 82.3 | Confident | 65 Ų | 65 | 44.3 Ų | 44.3 | 26% | 0.255 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -61.4 | -51.3 | 175.8 | -178.5 | -101 | 0 | 0 | 0 | 111.9 | E964 K965 H970 A971 V972 L1001 L1004 V1017 Y1020 | E964-Y968 WeakPolarHBondContact O-CB 3.11Å; E964-Y968 PolarHBondContact O-N 3.05Å; K965-Y968 PolarHBondContact O-N 3.04Å; Y968-H970 VanDerWaalsContact C-N 3.32Å; Y968-H970 PolarHBondContact O-N 3.23Å; Y968-A971 PolarHBondContact O-N 2.89Å; Y968-V972 HydrophobicContact CD1-CG2 4.37Å; Y968-V972 HydrophobicContact CE1-CG2 3.93Å; Y968-V972 HydrophobicContact CE2-CG2 4.34Å; Y968-V972 WeakPolarHBondContact O-CG2 3.38Å; Y968-V972 PolarHBondContact O-N 3.47Å; Y968-L1001 HydrophobicContact CD2-CD2 4.24Å; Y968-L1001 HydrophobicContact CE2-CD2 4.42Å; Y968-L1004 HydrophobicContact CD2-CD2 3.79Å; Y968-L1004 HydrophobicContact CG-CD2 4.25Å; Y968-V1017 HydrophobicContact CD2-CG2 4.25Å; Y968-V1017 HydrophobicContact CE2-CG2 4.39Å; Y968-Y1020 HydrophobicContact CE2-CD2 4.41Å; Y968-Y1020 VanDerWaalsContact OH-CE2 3.29Å; Y968-Y1020 WeakPolarHBondContact OH-CE2 3.49Å |
| 969 | N | 89.3 | Confident | 83.9 | Confident | 72 Ų | 72 | 44 Ų | 44 | 39% | 0.385 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -57.7 | -45.4 | 179.9 | -72.8 | 1.7 | 0 | 0 | 0 | 111.2 | K965 L966 V972 E973 | K965-N969 WeakPolarHBondContact O-CB 3.46Å; K965-N969 PolarHBondContact O-N 3.43Å; K965-N969 PolarHBondContact O-OD1 3.09Å; L966-N969 PolarHBondContact O-N 3.08Å; N969-V972 CarbonylContact O-C 3.51Å; N969-V972 WeakPolarHBondContact O-CA 3.19Å; N969-V972 WeakPolarHBondContact O-CB 3.25Å; N969-V972 PolarHBondContact O-N 3.4Å; N969-V972 VanDerWaalsContact O-N 3.14Å; N969-E973 WeakPolarHBondContact O-CG 3.44Å; N969-E973 PolarHBondContact O-N 3.21Å |
| 970 | H | 90.6 | Very high | 85.2 | Confident | 29 Ų | 29 | 42.1 Ų | 42.1 | 13% | 0.134 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -69.2 | -35.3 | 179.5 | -168 | 61 | 0 | 0 | 0 | 113.4 | M845 L966 Y968 V972 E973 I974 | M845-H970 HydrophobicContact CE-CB 3.53Å; M845-H970 HydrophobicContact CG-CB 4.46Å; M845-H970 WeakPolarHBondContact CG-CD2 3.42Å; M845-H970 HydrophobicContact SD-CB 3.93Å; M845-H970 VanDerWaalsContact SD-CD2 3.55Å; L966-H970 WeakPolarHBondContact O-CB 3.45Å; L966-H970 PolarHBondContact O-N 2.96Å; Y968-H970 VanDerWaalsContact C-N 3.32Å; Y968-H970 PolarHBondContact O-N 3.23Å; H970-V972 VanDerWaalsContact C-N 3.25Å; H970-V972 PolarHBondContact O-N 3.48Å; H970-E973 IonicContact CE1-OE2 2.81Å; H970-E973 IonicContact CG-OE2 2.93Å; H970-E973 IonicContact ND1-OE2 3.09Å; H970-E973 PolarHBondContact ND1-OE2 3.49Å; H970-E973 PolarHBondContact O-N 2.91Å; H970-I974 VanDerWaalsContact O-CG1 3.32Å; H970-I974 WeakPolarHBondContact O-CG1 3.26Å; H970-I974 PolarHBondContact O-N 2.89Å |
| 971 | A | 91.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 41.7 Ų | 41.7 | 1% | 0.008 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.4 | -36.7 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | I967 Y968 V975 L1000 L1001 | I967-A971 WeakPolarHBondContact O-CB 3.33Å; I967-A971 PolarHBondContact O-N 3.17Å; Y968-A971 PolarHBondContact O-N 2.89Å; A971-V975 VanDerWaalsContact O-CG2 3.3Å; A971-V975 WeakPolarHBondContact O-CG2 3.37Å; A971-V975 PolarHBondContact O-N 3.45Å; A971-V975 VanDerWaalsContact O-N 3.08Å; A971-L1000 HydrophobicContact CB-CB 3.94Å; A971-L1000 HydrophobicContact CB-CD1 4.2Å; A971-L1001 HydrophobicContact CB-CD2 4.07Å; A971-L1001 HydrophobicContact CB-CG 4.09Å |
| 972 | V | 88.8 | Confident | 87 | Confident | 40 Ų | 40 | 42.6 Ų | 42.6 | 24% | 0.242 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.1 | -43 | 173.3 | 173.5 | 0 | 0 | 0 | 0 | 111.7 | Y968 N969 H970 I974 V975 Q976 | Y968-V972 HydrophobicContact CD1-CG2 4.37Å; Y968-V972 HydrophobicContact CE1-CG2 3.93Å; Y968-V972 HydrophobicContact CE2-CG2 4.34Å; Y968-V972 WeakPolarHBondContact O-CG2 3.38Å; Y968-V972 PolarHBondContact O-N 3.47Å; N969-V972 CarbonylContact O-C 3.51Å; N969-V972 WeakPolarHBondContact O-CA 3.19Å; N969-V972 WeakPolarHBondContact O-CB 3.25Å; N969-V972 PolarHBondContact O-N 3.4Å; N969-V972 VanDerWaalsContact O-N 3.14Å; H970-V972 VanDerWaalsContact C-N 3.25Å; H970-V972 PolarHBondContact O-N 3.48Å; V972-I974 VanDerWaalsContact C-N 3.33Å; V972-I974 PolarHBondContact O-N 2.92Å; V972-V975 PolarHBondContact O-N 3.04Å; V972-Q976 HydrophobicContact CG1-CG 4.19Å; V972-Q976 WeakPolarHBondContact O-CB 3.49Å; V972-Q976 VanDerWaalsContact O-CG 3.29Å; V972-Q976 WeakPolarHBondContact O-CG 3.45Å; V972-Q976 PolarHBondContact O-N 3.47Å |
| 973 | E | 88.5 | Confident | 86.5 | Confident | 79 Ų | 79 | 43.8 Ų | 43.8 | 37% | 0.369 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -56.4 | -43.7 | 173.6 | -70.1 | 165.7 | -176 | 0 | 0 | 111.8 | N969 H970 Q976 S977 | N969-E973 WeakPolarHBondContact O-CG 3.44Å; N969-E973 PolarHBondContact O-N 3.21Å; H970-E973 IonicContact CE1-OE2 2.81Å; H970-E973 IonicContact CG-OE2 2.93Å; H970-E973 IonicContact ND1-OE2 3.09Å; H970-E973 PolarHBondContact ND1-OE2 3.49Å; H970-E973 PolarHBondContact O-N 2.91Å; E973-Q976 PolarHBondContact O-N 3.4Å; E973-S977 WeakPolarHBondContact O-CB 3.38Å; E973-S977 PolarHBondContact O-N 3.36Å; E973-S977 PolarHBondContact O-OG 3.47Å |
| 974 | I | 88.9 | Confident | 85.6 | Confident | 14 Ų | 14 | 46.7 Ų | 46.7 | 7% | 0.072 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 176.5 | -66.4 | 165.5 | 0 | 0 | 0 | 111 | H970 V972 S977 A978 R993 K996 A997 L1000 | H970-I974 VanDerWaalsContact O-CG1 3.32Å; H970-I974 WeakPolarHBondContact O-CG1 3.26Å; H970-I974 PolarHBondContact O-N 2.89Å; V972-I974 VanDerWaalsContact C-N 3.33Å; V972-I974 PolarHBondContact O-N 2.92Å; I974-S977 PolarHBondContact O-OG 3.13Å; I974-S977 VanDerWaalsContact O-OG 3.1Å; I974-A978 VanDerWaalsContact O-CB 3.26Å; I974-A978 WeakPolarHBondContact O-CB 3.24Å; I974-A978 PolarHBondContact O-N 3.13Å; I974-R993 HydrophobicContact CG2-CB 3.79Å; I974-R993 HydrophobicContact CG2-CG 4.29Å; I974-R993 WeakPolarHBondContact CG2-O 3.35Å; I974-K996 HydrophobicContact CD1-CD 4.34Å; I974-K996 HydrophobicContact CD1-CG 4.37Å; I974-A997 HydrophobicContact CB-CB 4.21Å; I974-A997 HydrophobicContact CG2-CB 3.93Å; I974-L1000 HydrophobicContact CD1-CD1 3.73Å |
| 975 | V | 91.7 | Very high | 84.6 | Confident | 39 Ų | 39 | 53.1 Ų | 53.1 | 24% | 0.236 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -64.3 | -40.4 | 176.9 | 167 | 0 | 0 | 0 | 0 | 111.8 | A971 V972 A979 Y994 A997 V1024 | A971-V975 VanDerWaalsContact O-CG2 3.3Å; A971-V975 WeakPolarHBondContact O-CG2 3.37Å; A971-V975 PolarHBondContact O-N 3.45Å; A971-V975 VanDerWaalsContact O-N 3.08Å; V972-V975 PolarHBondContact O-N 3.04Å; V975-A979 VanDerWaalsContact O-CB 3.26Å; V975-A979 WeakPolarHBondContact O-CB 3.23Å; V975-A979 PolarHBondContact O-N 3.31Å; V975-Y994 HydrophobicContact CG1-CE1 4.26Å; V975-Y994 HydrophobicContact CG2-CD1 4.45Å; V975-A997 HydrophobicContact CG2-CB 3.54Å; V975-V1024 HydrophobicContact CG2-CG2 3.67Å |
| 976 | Q | 85.5 | Confident | 83.2 | Confident | 109 Ų | 109 | 53.9 Ų | 53.9 | 51% | 0.509 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -68 | -47.8 | 179.3 | -73.9 | 177.5 | 1.5 | 0 | 0 | 111.6 | V972 E973 A979 L980 | V972-Q976 HydrophobicContact CG1-CG 4.19Å; V972-Q976 WeakPolarHBondContact O-CB 3.49Å; V972-Q976 VanDerWaalsContact O-CG 3.29Å; V972-Q976 WeakPolarHBondContact O-CG 3.45Å; V972-Q976 PolarHBondContact O-N 3.47Å; E973-Q976 PolarHBondContact O-N 3.4Å; Q976-A979 PolarHBondContact O-N 3.29Å; Q976-L980 WeakPolarHBondContact O-CG 3.35Å; Q976-L980 PolarHBondContact O-N 3.46Å |
| 977 | S | 85.6 | Confident | 81.8 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 29% | 0.294 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63 | -43.8 | 176.5 | 54.6 | 0 | 0 | 0 | 0 | 112.3 | E973 I974 A979 L980 D981 | E973-S977 WeakPolarHBondContact O-CB 3.38Å; E973-S977 PolarHBondContact O-N 3.36Å; E973-S977 PolarHBondContact O-OG 3.47Å; I974-S977 PolarHBondContact O-OG 3.13Å; I974-S977 VanDerWaalsContact O-OG 3.1Å; S977-A979 VanDerWaalsContact C-N 3.31Å; S977-A979 PolarHBondContact O-N 3.35Å; S977-L980 PolarHBondContact O-N 2.96Å; S977-D981 VanDerWaalsContact O-CG 3.32Å; S977-D981 PolarHBondContact O-N 2.77Å |
| 978 | A | 86.7 | Confident | 80.4 | Confident | 0 Ų | 0 | 66.9 Ų | 66.9 | 0% | 0 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -61.1 | -38.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | I974 E982 R993 Y994 | I974-A978 VanDerWaalsContact O-CB 3.26Å; I974-A978 WeakPolarHBondContact O-CB 3.24Å; I974-A978 PolarHBondContact O-N 3.13Å; A978-E982 VanDerWaalsContact O-CB 3.24Å; A978-E982 WeakPolarHBondContact O-CB 3.48Å; A978-E982 PolarHBondContact O-N 2.95Å; A978-R993 HydrophobicContact CB-CB 3.95Å; A978-Y994 HydrophobicContact CB-CD1 4.02Å; A978-Y994 HydrophobicContact CB-CD2 4.23Å; A978-Y994 HydrophobicContact CB-CE1 3.82Å; A978-Y994 HydrophobicContact CB-CE2 4.07Å; A978-Y994 HydrophobicContact CB-CG 4.22Å |
| 979 | A | 83.8 | Confident | 79.6 | Confident | 40 Ų | 40 | 68.9 Ų | 68.9 | 33% | 0.331 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -70.5 | -33.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V975 Q976 S977 M983 Y994 | V975-A979 VanDerWaalsContact O-CB 3.26Å; V975-A979 WeakPolarHBondContact O-CB 3.23Å; V975-A979 PolarHBondContact O-N 3.31Å; Q976-A979 PolarHBondContact O-N 3.29Å; S977-A979 VanDerWaalsContact C-N 3.31Å; S977-A979 PolarHBondContact O-N 3.35Å; A979-M983 WeakPolarHBondContact O-CB 3.22Å; A979-M983 PolarHBondContact O-N 3.42Å; A979-M983 VanDerWaalsContact O-N 3.16Å; A979-Y994 WeakPolarHBondContact CA-OH 3.37Å; A979-Y994 WeakPolarHBondContact CB-OH 3.28Å; A979-Y994 PolarHBondContact N-OH 2.9Å |
| 980 | L | 79.9 | Confident | 79.4 | Confident | 74 Ų | 74 | 66 Ų | 66 | 39% | 0.387 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -67.5 | -49 | 174 | -72.7 | 169.7 | 0 | 0 | 0 | 110.8 | Q976 S977 E982 M983 F984 | Q976-L980 WeakPolarHBondContact O-CG 3.35Å; Q976-L980 PolarHBondContact O-N 3.46Å; S977-L980 PolarHBondContact O-N 2.96Å; L980-E982 VanDerWaalsContact C-N 3.35Å; L980-E982 PolarHBondContact O-N 3.37Å; L980-M983 HydrophobicContact CD2-CE 4.04Å; L980-M983 WeakPolarHBondContact O-CB 3.36Å; L980-M983 PolarHBondContact O-N 2.92Å; L980-M983 VanDerWaalsContact O-N 3.14Å; L980-F984 HydrophobicContact CD2-CE2 4.48Å; L980-F984 WeakPolarHBondContact O-CD2 3.46Å; L980-F984 PolarHBondContact O-N 3.32Å |
| 981 | D | 81.2 | Confident | 79.1 | Confident | 39 Ų | 39 | 66.9 Ų | 66.9 | 21% | 0.209 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -69.7 | -34.5 | -176.2 | -61.3 | -12.1 | 0 | 0 | 0 | 111.9 | S977 F984 K985 Q986 R993 | S977-D981 VanDerWaalsContact O-CG 3.32Å; S977-D981 PolarHBondContact O-N 2.77Å; D981-F984 CarbonylContact O-C 3.4Å; D981-F984 PolarHBondContact O-N 3.48Å; D981-K985 PolarHBondContact O-N 3.21Å; D981-Q986 HydrophobicContact CB-CB 4.29Å; D981-Q986 PolarHBondContact O-N 2.69Å; D981-R993 IonicContact OD2-CZ 2.69Å; D981-R993 IonicContact OD2-NH1 3.66Å; D981-R993 PolarHBondContact OD2-NH1 2.77Å; D981-R993 IonicContact OD2-NH2 2.64Å; D981-R993 PolarHBondContact OD2-NH2 3.06Å |
| 982 | E | 80.5 | Confident | 78.9 | Confident | 36 Ų | 36 | 72.8 Ų | 72.8 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 169.6 | -170.5 | -172.9 | -162.1 | 0 | 0 | 111.9 | A978 L980 F984 K985 I990 Y994 R1027 L1031 | A978-E982 VanDerWaalsContact O-CB 3.24Å; A978-E982 WeakPolarHBondContact O-CB 3.48Å; A978-E982 PolarHBondContact O-N 2.95Å; L980-E982 VanDerWaalsContact C-N 3.35Å; L980-E982 PolarHBondContact O-N 3.37Å; E982-F984 VanDerWaalsContact C-N 3.28Å; E982-F984 PolarHBondContact O-N 2.97Å; E982-K985 PolarHBondContact O-N 3.28Å; E982-I990 HydrophobicContact CB-CD1 3.85Å; E982-I990 HydrophobicContact CB-CG1 4.47Å; E982-I990 HydrophobicContact CB-CG2 4.12Å; E982-I990 HydrophobicContact CG-CD1 4.28Å; E982-I990 HydrophobicContact CG-CG2 4.41Å; E982-Y994 PolarHBondContact OE2-OH 3.04Å; E982-R1027 VanDerWaalsContact CD-NE 3.34Å; E982-R1027 IonicContact OE1-CZ 2.74Å; E982-R1027 IonicContact OE1-NE 2.65Å; E982-R1027 PolarHBondContact OE1-NE 3.34Å; E982-R1027 IonicContact OE1-NH1 2.67Å; E982-R1027 IonicContact OE1-NH2 3.55Å; E982-R1027 PolarHBondContact OE1-NH2 3.5Å; E982-R1027 IonicContact OE2-CZ 2.67Å; E982-R1027 IonicContact OE2-NE 3.11Å; E982-R1027 PolarHBondContact OE2-NE 3.29Å; E982-R1027 IonicContact OE2-NH2 3.63Å; E982-R1027 PolarHBondContact OE2-NH2 3.17Å; E982-L1031 VanDerWaalsContact OE1-CD2 3.31Å; E982-L1031 WeakPolarHBondContact OE1-CD2 3.08Å |
| 983 | M | 72.5 | Confident | 78.9 | Confident | 80 Ų | 80 | 73.2 Ų | 73.2 | 39% | 0.394 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.7 | -31.9 | 175.1 | -178.7 | -167.7 | 65.3 | 0 | 0 | 112.1 | L357 A979 L980 | L357-M983 HydrophobicContact CD2-CE 3.72Å; L357-M983 HydrophobicContact CD2-SD 4.03Å; A979-M983 WeakPolarHBondContact O-CB 3.22Å; A979-M983 PolarHBondContact O-N 3.42Å; A979-M983 VanDerWaalsContact O-N 3.16Å; L980-M983 HydrophobicContact CD2-CE 4.04Å; L980-M983 WeakPolarHBondContact O-CB 3.36Å; L980-M983 PolarHBondContact O-N 2.92Å; L980-M983 VanDerWaalsContact O-N 3.14Å |
| 984 | F | 67.8 | Low | 79 | Confident | 64 Ų | 64 | 70 Ų | 70 | 28% | 0.281 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | 5.4 | 175.5 | -65.3 | -56.7 | 0 | 0 | 0 | 114.6 | P219 L980 D981 E982 Q986 | P219-F984 HydrophobicContact CB-CE1 4.46Å; P219-F984 HydrophobicContact CB-CZ 4.33Å; P219-F984 HydrophobicContact CG-CE1 4.07Å; P219-F984 HydrophobicContact CG-CZ 4.39Å; L980-F984 HydrophobicContact CD2-CE2 4.48Å; L980-F984 WeakPolarHBondContact O-CD2 3.46Å; L980-F984 PolarHBondContact O-N 3.32Å; D981-F984 CarbonylContact O-C 3.4Å; D981-F984 PolarHBondContact O-N 3.48Å; E982-F984 VanDerWaalsContact C-N 3.28Å; E982-F984 PolarHBondContact O-N 2.97Å; F984-Q986 VanDerWaalsContact C-N 3.28Å; F984-Q986 PolarHBondContact O-N 2.86Å |
| 985 | K | 66.5 | Low | 79.2 | Confident | 180 Ų | 180 | 71.8 Ų | 71.8 | 78% | 0.783 | 37% | 0.369 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.3 | 25.9 | -179.3 | -54.6 | -177.6 | 178.6 | 179.7 | 0 | 115.4 | D981 E982 T987 | D981-K985 PolarHBondContact O-N 3.21Å; E982-K985 PolarHBondContact O-N 3.28Å; K985-T987 PolarHBondContact O-N 2.77Å |
| 986 | Q | 57.8 | Low | 79.1 | Confident | 114 Ų | 114 | 70.8 Ų | 70.8 | 53% | 0.533 | 36% | 0.362 | S | S | . | . | trans | -81.6 | 96.8 | 171.8 | -68 | -172.5 | -5 | 0 | 0 | 109.2 | D981 F984 E988 I990 | D981-Q986 HydrophobicContact CB-CB 4.29Å; D981-Q986 PolarHBondContact O-N 2.69Å; F984-Q986 VanDerWaalsContact C-N 3.28Å; F984-Q986 PolarHBondContact O-N 2.86Å; Q986-E988 VanDerWaalsContact C-N 3.3Å; Q986-E988 PolarHBondContact O-N 3.21Å; Q986-I990 WeakPolarHBondContact O-CD1 3.3Å | ||
| 987 | T | 59.1 | Low | 79.5 | Confident | 125 Ų | 125 | 65.6 Ų | 65.6 | 77% | 0.767 | 34% | 0.338 | S | S | * | . | trans | -74.7 | -5 | -162.4 | 42.6 | 0 | 0 | 0 | 0 | 116.7 | K985 | K985-T987 PolarHBondContact O-N 2.77Š| ||
| 988 | E | 60.6 | Low | 79.9 | Confident | 163 Ų | 163 | 64 Ų | 64 | 76% | 0.762 | 33% | 0.327 | S | S | * | . | S | Bend | trans | -82.5 | 132.9 | -175.8 | -60.5 | -168 | 169.2 | 0 | 0 | 112.2 | Q986 I990 R993 | Q986-E988 VanDerWaalsContact C-N 3.3Å; Q986-E988 PolarHBondContact O-N 3.21Å; E988-I990 PolarHBondContact O-N 2.96Å; E988-R993 PolarHBondContact O-NH2 3.49Å |
| 989 | D | 75.8 | Confident | 80.1 | Confident | 107 Ų | 107 | 66.2 Ų | 66.2 | 57% | 0.572 | 34% | 0.338 | S | S | * | . | S | Bend | trans | 51.5 | 16.3 | 174.8 | -66 | -19.4 | 0 | 0 | 0 | 118.6 | A991 Y992 R993 | D989-A991 PolarHBondContact O-N 3.15Å; D989-Y992 HydrophobicContact CB-CD1 4.37Å; D989-Y992 PolarHBondContact O-N 3.07Å; D989-R993 WeakPolarHBondContact O-CB 3.45Å; D989-R993 WeakPolarHBondContact O-CG 3.39Å; D989-R993 PolarHBondContact O-N 3.33Å; D989-R993 PolarHBondContact O-NE 2.77Å |
| 990 | I | 84.2 | Confident | 80.6 | Confident | 11 Ų | 11 | 64.4 Ų | 64.4 | 6% | 0.056 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -56.5 | -50.8 | 171.2 | -64.9 | 164.7 | 0 | 0 | 0 | 110.6 | E982 Q986 E988 Y992 R993 Y994 L1031 | E982-I990 HydrophobicContact CB-CD1 3.85Å; E982-I990 HydrophobicContact CB-CG1 4.47Å; E982-I990 HydrophobicContact CB-CG2 4.12Å; E982-I990 HydrophobicContact CG-CD1 4.28Å; E982-I990 HydrophobicContact CG-CG2 4.41Å; Q986-I990 WeakPolarHBondContact O-CD1 3.3Å; E988-I990 PolarHBondContact O-N 2.96Å; I990-Y992 VanDerWaalsContact C-N 3.34Å; I990-Y992 PolarHBondContact O-N 3.32Å; I990-R993 PolarHBondContact O-N 3.44Å; I990-Y994 HydrophobicContact CG2-CD2 3.7Å; I990-Y994 HydrophobicContact CG2-CE2 3.57Å; I990-Y994 WeakPolarHBondContact O-CD2 3.32Å; I990-Y994 PolarHBondContact O-N 3.3Å; I990-L1031 HydrophobicContact CG2-CD1 3.82Å; I990-L1031 HydrophobicContact CG2-CD2 4.44Å |
| 991 | A | 84.4 | Confident | 81.2 | Confident | 47 Ų | 47 | 61.1 Ų | 61.1 | 39% | 0.388 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.2 | D989 S995 | D989-A991 PolarHBondContact O-N 3.15Å; A991-S995 WeakPolarHBondContact O-CB 3.39Å; A991-S995 PolarHBondContact O-N 3.22Å; A991-S995 PolarHBondContact O-OG 2.89Å |
| 992 | Y | 87.5 | Confident | 81.7 | Confident | 125 Ų | 125 | 60.7 Ų | 60.7 | 49% | 0.49 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 173.8 | 172.4 | -101.7 | 0 | 0 | 0 | 111.2 | D989 I990 S995 K996 | D989-Y992 HydrophobicContact CB-CD1 4.37Å; D989-Y992 PolarHBondContact O-N 3.07Å; I990-Y992 VanDerWaalsContact C-N 3.34Å; I990-Y992 PolarHBondContact O-N 3.32Å; Y992-S995 WeakPolarHBondContact O-CB 3.45Å; Y992-S995 PolarHBondContact O-N 3.4Å; Y992-K996 HydrophobicContact CE1-CD 4.13Å; Y992-K996 WeakPolarHBondContact O-CB 3.41Å; Y992-K996 PolarHBondContact O-N 2.74Å |
| 993 | R | 88.6 | Confident | 82.2 | Confident | 50 Ų | 50 | 59 Ų | 59 | 19% | 0.189 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -63.1 | -46.4 | 178.6 | -77.7 | -177.1 | -73.8 | 165.7 | -12.9 | 112.8 | I974 A978 D981 E988 D989 I990 S995 K996 A997 | I974-R993 HydrophobicContact CG2-CB 3.79Å; I974-R993 HydrophobicContact CG2-CG 4.29Å; I974-R993 WeakPolarHBondContact CG2-O 3.35Å; A978-R993 HydrophobicContact CB-CB 3.95Å; D981-R993 IonicContact OD2-CZ 2.69Å; D981-R993 IonicContact OD2-NH1 3.66Å; D981-R993 PolarHBondContact OD2-NH1 2.77Å; D981-R993 IonicContact OD2-NH2 2.64Å; D981-R993 PolarHBondContact OD2-NH2 3.06Å; E988-R993 PolarHBondContact O-NH2 3.49Å; D989-R993 WeakPolarHBondContact O-CB 3.45Å; D989-R993 WeakPolarHBondContact O-CG 3.39Å; D989-R993 PolarHBondContact O-N 3.33Å; D989-R993 PolarHBondContact O-NE 2.77Å; I990-R993 PolarHBondContact O-N 3.44Å; R993-S995 VanDerWaalsContact C-N 3.3Å; R993-S995 PolarHBondContact O-N 2.84Å; R993-K996 WeakPolarHBondContact O-CB 3.26Å; R993-K996 PolarHBondContact O-N 3.45Å; R993-A997 PolarHBondContact O-N 3.39Å |
| 994 | Y | 91.5 | Very high | 83.1 | Confident | 11 Ų | 11 | 55.3 Ų | 55.3 | 4% | 0.043 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -60.6 | -39.7 | 173.3 | -76.7 | -51.3 | 0 | 0 | 0 | 112.2 | V975 A978 A979 E982 I990 A997 A998 V1024 R1027 L1031 | V975-Y994 HydrophobicContact CG1-CE1 4.26Å; V975-Y994 HydrophobicContact CG2-CD1 4.45Å; A978-Y994 HydrophobicContact CB-CD1 4.02Å; A978-Y994 HydrophobicContact CB-CD2 4.23Å; A978-Y994 HydrophobicContact CB-CE1 3.82Å; A978-Y994 HydrophobicContact CB-CE2 4.07Å; A978-Y994 HydrophobicContact CB-CG 4.22Å; A979-Y994 WeakPolarHBondContact CA-OH 3.37Å; A979-Y994 WeakPolarHBondContact CB-OH 3.28Å; A979-Y994 PolarHBondContact N-OH 2.9Å; E982-Y994 PolarHBondContact OE2-OH 3.04Å; I990-Y994 HydrophobicContact CG2-CD2 3.7Å; I990-Y994 HydrophobicContact CG2-CE2 3.57Å; I990-Y994 WeakPolarHBondContact O-CD2 3.32Å; I990-Y994 PolarHBondContact O-N 3.3Å; Y994-A997 PolarHBondContact O-N 2.81Å; Y994-A998 WeakPolarHBondContact O-CB 3.41Å; Y994-A998 PolarHBondContact O-N 3.14Å; Y994-V1024 HydrophobicContact CD1-CG1 3.98Å; Y994-V1024 HydrophobicContact CG-CG1 4.4Å; Y994-V1024 VanDerWaalsContact O-CG1 3.3Å; Y994-V1024 WeakPolarHBondContact O-CG1 3.38Å; Y994-R1027 HydrophobicContact CD2-CG 4.26Å; Y994-R1027 HydrophobicContact CE1-CG 4.44Å; Y994-R1027 HydrophobicContact CE2-CG 3.74Å; Y994-L1031 HydrophobicContact CD2-CD1 3.57Å; Y994-L1031 HydrophobicContact CE2-CD1 3.8Å |
| 995 | S | 91.2 | Very high | 84.3 | Confident | 52 Ų | 52 | 53.2 Ų | 53.2 | 36% | 0.364 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.9 | -40.4 | 175.7 | -57.8 | 0 | 0 | 0 | 0 | 112.3 | A991 Y992 R993 A998 M999 | A991-S995 WeakPolarHBondContact O-CB 3.39Å; A991-S995 PolarHBondContact O-N 3.22Å; A991-S995 PolarHBondContact O-OG 2.89Å; Y992-S995 WeakPolarHBondContact O-CB 3.45Å; Y992-S995 PolarHBondContact O-N 3.4Å; R993-S995 VanDerWaalsContact C-N 3.3Å; R993-S995 PolarHBondContact O-N 2.84Å; S995-A998 PolarHBondContact O-N 3.39Å; S995-M999 WeakPolarHBondContact O-CB 3.41Å; S995-M999 PolarHBondContact O-N 2.86Å |
| 996 | K | 91.3 | Very high | 85.2 | Confident | 18 Ų | 18 | 49.2 Ų | 49.2 | 8% | 0.078 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -62.9 | -43.9 | 175.2 | -168.8 | 173.9 | -168.6 | 162.5 | 0 | 111.8 | E844 I974 Y992 R993 M999 L1000 | E844-K996 IonicContact OE1-NZ 2.72Å; E844-K996 PolarHBondContact OE1-NZ 3.34Å; E844-K996 IonicContact OE2-NZ 2.68Å; E844-K996 PolarHBondContact OE2-NZ 2.99Å; I974-K996 HydrophobicContact CD1-CD 4.34Å; I974-K996 HydrophobicContact CD1-CG 4.37Å; Y992-K996 HydrophobicContact CE1-CD 4.13Å; Y992-K996 WeakPolarHBondContact O-CB 3.41Å; Y992-K996 PolarHBondContact O-N 2.74Å; R993-K996 WeakPolarHBondContact O-CB 3.26Å; R993-K996 PolarHBondContact O-N 3.45Å; K996-M999 PolarHBondContact O-N 3.47Å; K996-L1000 WeakPolarHBondContact O-CG 3.47Å; K996-L1000 PolarHBondContact O-N 3.42Å |
| 997 | A | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.1 | -40.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | I974 V975 R993 Y994 M999 L1000 L1001 | I974-A997 HydrophobicContact CB-CB 4.21Å; I974-A997 HydrophobicContact CG2-CB 3.93Å; V975-A997 HydrophobicContact CG2-CB 3.54Å; R993-A997 PolarHBondContact O-N 3.39Å; Y994-A997 PolarHBondContact O-N 2.81Å; A997-M999 VanDerWaalsContact C-N 3.3Å; A997-M999 PolarHBondContact O-N 3.44Å; A997-L1000 PolarHBondContact O-N 3.16Å; A997-L1001 VanDerWaalsContact O-CG 3.31Å; A997-L1001 WeakPolarHBondContact O-CG 3.37Å; A997-L1001 PolarHBondContact O-N 2.92Å |
| 998 | A | 93.1 | Very high | 88 | Confident | 9 Ų | 9 | 40.8 Ų | 40.8 | 7% | 0.074 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.8 | -38.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y994 S995 L1001 D1002 V1024 E1025 I1028 | Y994-A998 WeakPolarHBondContact O-CB 3.41Å; Y994-A998 PolarHBondContact O-N 3.14Å; S995-A998 PolarHBondContact O-N 3.39Å; A998-L1001 PolarHBondContact O-N 3.33Å; A998-D1002 WeakPolarHBondContact O-CB 3.48Å; A998-D1002 PolarHBondContact O-N 2.91Å; A998-V1024 HydrophobicContact CB-CG1 4.05Å; A998-E1025 HydrophobicContact CB-CG 4.39Å; A998-I1028 HydrophobicContact CB-CD1 4.1Å |
| 999 | M | 92.5 | Very high | 89.2 | Confident | 46 Ų | 46 | 41.2 Ų | 41.2 | 23% | 0.227 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -66 | -42.7 | 173.7 | -173.5 | -129 | -61.4 | 0 | 0 | 112.5 | S837 F838 C841 S995 K996 A997 D1002 G1003 | S837-M999 VanDerWaalsContact C-SD 3.56Å; S837-M999 WeakPolarHBondContact OG-CE 3.35Å; F838-M999 HydrophobicContact CB-SD 4.42Å; C841-M999 VanDerWaalsContact SG-CE 3.56Å; S995-M999 WeakPolarHBondContact O-CB 3.41Å; S995-M999 PolarHBondContact O-N 2.86Å; K996-M999 PolarHBondContact O-N 3.47Å; A997-M999 VanDerWaalsContact C-N 3.3Å; A997-M999 PolarHBondContact O-N 3.44Å; M999-D1002 PolarHBondContact O-N 3.41Å; M999-G1003 PolarHBondContact O-N 2.82Å |
| 1000 | L | 92.9 | Very high | 89.8 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.9 | -42.2 | 174.4 | -74.2 | 172.3 | 0 | 0 | 0 | 112 | F838 C841 M845 I967 A971 I974 K996 A997 G1003 L1004 | F838-L1000 HydrophobicContact CD2-CD2 4.04Å; F838-L1000 HydrophobicContact CE2-CD2 3.97Å; F838-L1000 WeakPolarHBondContact CE2-O 3.31Å; C841-L1000 HydrophobicContact CB-CD2 3.72Å; C841-L1000 HydrophobicContact CB-CG 4.42Å; M845-L1000 HydrophobicContact SD-CD2 4.49Å; I967-L1000 HydrophobicContact CG2-CD2 4.36Å; A971-L1000 HydrophobicContact CB-CB 3.94Å; A971-L1000 HydrophobicContact CB-CD1 4.2Å; I974-L1000 HydrophobicContact CD1-CD1 3.73Å; K996-L1000 WeakPolarHBondContact O-CG 3.47Å; K996-L1000 PolarHBondContact O-N 3.42Å; A997-L1000 PolarHBondContact O-N 3.16Å; L1000-G1003 PolarHBondContact O-N 2.88Å; L1000-L1004 VanDerWaalsContact O-CB 3.27Å; L1000-L1004 WeakPolarHBondContact O-CB 3.13Å; L1000-L1004 PolarHBondContact O-N 3.03Å |
| 1001 | L | 93.2 | Very high | 89.8 | Confident | 5 Ų | 5 | 44.2 Ų | 44.2 | 3% | 0.026 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69.3 | -34.8 | 176.8 | -66.6 | 168.7 | 0 | 0 | 0 | 112.3 | Y968 A971 A997 A998 L1004 S1005 V1017 K1021 V1024 | Y968-L1001 HydrophobicContact CD2-CD2 4.24Å; Y968-L1001 HydrophobicContact CE2-CD2 4.42Å; A971-L1001 HydrophobicContact CB-CD2 4.07Å; A971-L1001 HydrophobicContact CB-CG 4.09Å; A997-L1001 VanDerWaalsContact O-CG 3.31Å; A997-L1001 WeakPolarHBondContact O-CG 3.37Å; A997-L1001 PolarHBondContact O-N 2.92Å; A998-L1001 PolarHBondContact O-N 3.33Å; L1001-L1004 HydrophobicContact CD2-CD2 4.5Å; L1001-L1004 PolarHBondContact O-N 3.39Å; L1001-S1005 PolarHBondContact O-N 3.34Å; L1001-V1017 HydrophobicContact CB-CG1 4.1Å; L1001-V1017 HydrophobicContact CD2-CG1 4.05Å; L1001-V1017 WeakPolarHBondContact O-CG1 3.48Å; L1001-K1021 HydrophobicContact CB-CB 4.01Å; L1001-K1021 HydrophobicContact CB-CG 4.27Å; L1001-K1021 HydrophobicContact CD1-CB 4.45Å; L1001-V1024 HydrophobicContact CD1-CG2 4.2Å |
| 1002 | D | 92.3 | Very high | 89.8 | Confident | 31 Ų | 31 | 44.2 Ų | 44.2 | 17% | 0.166 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -69 | -36.2 | 173.9 | -169 | 73.1 | 0 | 0 | 0 | 112.9 | A998 M999 S1005 K1006 K1021 | A998-D1002 WeakPolarHBondContact O-CB 3.48Å; A998-D1002 PolarHBondContact O-N 2.91Å; M999-D1002 PolarHBondContact O-N 3.41Å; D1002-S1005 PolarHBondContact O-OG 3.42Å; D1002-K1006 WeakPolarHBondContact O-CD 3.26Å; D1002-K1006 WeakPolarHBondContact O-CG 3.34Å; D1002-K1006 IonicContact OD1-NZ 2.7Å; D1002-K1006 WeakPolarHBondContact OD2-CE 3.28Å; D1002-K1006 IonicContact OD2-NZ 2.78Å; D1002-K1006 PolarHBondContact OD2-NZ 3.2Å; D1002-K1021 HydrophobicContact CB-CD 4.04Å; D1002-K1021 WeakPolarHBondContact OD1-CE 3.41Å; D1002-K1021 IonicContact OD1-NZ 3.18Å; D1002-K1021 PolarHBondContact OD1-NZ 3.46Å |
| 1003 | G | 90.4 | Very high | 89.7 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -70 | -40 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | M999 L1000 S1005 K1006 I1007 | M999-G1003 PolarHBondContact O-N 2.82Å; L1000-G1003 PolarHBondContact O-N 2.88Å; G1003-S1005 PolarHBondContact O-N 3.22Å; G1003-K1006 PolarHBondContact O-N 2.95Å; G1003-K1006 VanDerWaalsContact O-N 3.16Å; G1003-I1007 PolarHBondContact O-N 3.48Å |
| 1004 | L | 91.9 | Very high | 89.7 | Confident | 3 Ų | 3 | 39.8 Ų | 39.8 | 2% | 0.016 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 176.6 | -175.9 | 61.8 | 0 | 0 | 0 | 112 | E964 I967 Y968 L1000 L1001 K1006 I1007 L1008 V1017 | E964-L1004 HydrophobicContact CB-CD1 4.04Å; E964-L1004 HydrophobicContact CG-CD1 4.4Å; I967-L1004 HydrophobicContact CG2-CB 4.31Å; I967-L1004 HydrophobicContact CG2-CD1 4.37Å; Y968-L1004 HydrophobicContact CD2-CD2 3.79Å; Y968-L1004 HydrophobicContact CG-CD2 4.25Å; L1000-L1004 VanDerWaalsContact O-CB 3.27Å; L1000-L1004 WeakPolarHBondContact O-CB 3.13Å; L1000-L1004 PolarHBondContact O-N 3.03Å; L1001-L1004 HydrophobicContact CD2-CD2 4.5Å; L1001-L1004 PolarHBondContact O-N 3.39Å; L1004-K1006 PolarHBondContact O-N 2.6Å; L1004-K1006 VanDerWaalsContact O-N 3.13Å; L1004-I1007 HydrophobicContact CD1-CD1 4.05Å; L1004-I1007 HydrophobicContact CD1-CG1 4.12Å; L1004-I1007 VanDerWaalsContact O-CG1 3.27Å; L1004-I1007 WeakPolarHBondContact O-CG1 3.48Å; L1004-I1007 PolarHBondContact O-N 3.22Å; L1004-I1007 VanDerWaalsContact O-N 3.1Å; L1004-L1008 HydrophobicContact CD1-CD1 4.36Å; L1004-L1008 HydrophobicContact CD1-CD2 4.35Å; L1004-L1008 HydrophobicContact CD1-CG 4.12Å; L1004-L1008 HydrophobicContact CG-CD1 3.97Å; L1004-L1008 HydrophobicContact CG-CG 4.23Å; L1004-L1008 WeakPolarHBondContact O-CG 3.4Å; L1004-L1008 PolarHBondContact O-N 2.77Å; L1004-L1008 VanDerWaalsContact O-N 3.14Å; L1004-V1017 HydrophobicContact CB-CG1 4.21Å; L1004-V1017 HydrophobicContact CD2-CG1 4.18Å; L1004-V1017 HydrophobicContact CD2-CG2 3.71Å; L1004-V1017 HydrophobicContact CG-CG1 4.28Å; L1004-V1017 HydrophobicContact CG-CG2 4.19Å |
| 1005 | S | 91.8 | Very high | 89.6 | Confident | 20 Ų | 20 | 44.5 Ų | 44.5 | 14% | 0.14 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.4 | -16 | 177.7 | 71.8 | 0 | 0 | 0 | 0 | 114.2 | L1001 D1002 G1003 | L1001-S1005 PolarHBondContact O-N 3.34Å; D1002-S1005 PolarHBondContact O-OG 3.42Å; G1003-S1005 PolarHBondContact O-N 3.22Å |
| 1006 | K | 86.8 | Confident | 89.5 | Confident | 96 Ų | 96 | 45.4 Ų | 45.4 | 42% | 0.417 | 24% | 0.243 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.2 | -5.8 | 177 | -67.3 | 165.2 | -177.9 | 166.5 | 0 | 113.9 | M834 D1002 G1003 L1004 | M834-K1006 HydrophobicContact CE-CD 4.11Å; M834-K1006 HydrophobicContact SD-CD 4.14Å; M834-K1006 PolarHBondContact SD-NZ 2.97Å; D1002-K1006 WeakPolarHBondContact O-CD 3.26Å; D1002-K1006 WeakPolarHBondContact O-CG 3.34Å; D1002-K1006 IonicContact OD1-NZ 2.7Å; D1002-K1006 WeakPolarHBondContact OD2-CE 3.28Å; D1002-K1006 IonicContact OD2-NZ 2.78Å; D1002-K1006 PolarHBondContact OD2-NZ 3.2Å; G1003-K1006 PolarHBondContact O-N 2.95Å; G1003-K1006 VanDerWaalsContact O-N 3.16Å; L1004-K1006 PolarHBondContact O-N 2.6Å; L1004-K1006 VanDerWaalsContact O-N 3.13Å |
| 1007 | I | 87.9 | Confident | 89.4 | Confident | 21 Ų | 21 | 44.9 Ų | 44.9 | 11% | 0.108 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -119.5 | -14.4 | -178.9 | 65.1 | 170.7 | 0 | 0 | 0 | 113.7 | F838 L896 E964 I967 G1003 L1004 | F838-I1007 HydrophobicContact CE1-CD1 4.36Å; F838-I1007 HydrophobicContact CE1-CG2 4.42Å; F838-I1007 HydrophobicContact CZ-CD1 4.17Å; L896-I1007 HydrophobicContact CD1-CG2 4.3Å; L896-I1007 HydrophobicContact CD2-CG2 3.5Å; E964-I1007 HydrophobicContact CG-CD1 4.11Å; E964-I1007 HydrophobicContact CG-CG1 4.47Å; I967-I1007 HydrophobicContact CD1-CD1 4.35Å; G1003-I1007 PolarHBondContact O-N 3.48Å; L1004-I1007 HydrophobicContact CD1-CD1 4.05Å; L1004-I1007 HydrophobicContact CD1-CG1 4.12Å; L1004-I1007 VanDerWaalsContact O-CG1 3.27Å; L1004-I1007 WeakPolarHBondContact O-CG1 3.48Å; L1004-I1007 PolarHBondContact O-N 3.22Å; L1004-I1007 VanDerWaalsContact O-N 3.1Å |
| 1008 | L | 88.1 | Confident | 89.3 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.209 | 26% | 0.261 | C | S | . | . | trans | -68.8 | 150 | 172 | -73.7 | 169.4 | 0 | 0 | 0 | 111.5 | L1004 D1013 V1017 | L1004-L1008 HydrophobicContact CD1-CD1 4.36Å; L1004-L1008 HydrophobicContact CD1-CD2 4.35Å; L1004-L1008 HydrophobicContact CD1-CG 4.12Å; L1004-L1008 HydrophobicContact CG-CD1 3.97Å; L1004-L1008 HydrophobicContact CG-CG 4.23Å; L1004-L1008 WeakPolarHBondContact O-CG 3.4Å; L1004-L1008 PolarHBondContact O-N 2.77Å; L1004-L1008 VanDerWaalsContact O-N 3.14Å; L1008-D1013 HydrophobicContact CD1-CB 4.02Å; L1008-D1013 HydrophobicContact CD2-CB 4.3Å; L1008-V1017 HydrophobicContact CD1-CB 4.29Å; L1008-V1017 HydrophobicContact CD1-CG2 3.73Å | ||
| 1009 | Q | 85.5 | Confident | 89.2 | Confident | 172 Ų | 172 | 52.8 Ų | 52.8 | 80% | 0.804 | 28% | 0.278 | S | S | * | . | trans | -111 | -22.5 | -179.7 | -62.3 | -179.9 | 16.5 | 0 | 0 | 112.8 | ||||
| 1010 | D | 87.1 | Confident | 89.1 | Confident | 77 Ų | 77 | 56.8 Ų | 56.8 | 41% | 0.412 | 29% | 0.291 | S | S | . | . | trans | -85.2 | 124.9 | 175.3 | -164.9 | -50.4 | 0 | 0 | 0 | 109.9 | A1012 D1013 T1014 | D1010-A1012 VanDerWaalsContact C-N 3.26Å; D1010-A1012 PolarHBondContact O-N 3.29Å; D1010-A1012 VanDerWaalsContact OD1-CB 3.28Å; D1010-A1012 WeakPolarHBondContact OD1-CB 3.44Å; D1010-A1012 PolarHBondContact OD1-N 2.67Å; D1010-D1013 HydrophobicContact CB-CB 4.23Å; D1010-D1013 PolarHBondContact O-N 3.45Å; D1010-T1014 WeakPolarHBondContact O-CB 3.48Å; D1010-T1014 PolarHBondContact O-N 3.09Å; D1010-T1014 PolarHBondContact O-OG1 3.41Å | ||
| 1011 | P | 84.1 | Confident | 89.1 | Confident | 104 Ų | 104 | 58.3 Ų | 58.3 | 68% | 0.675 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -63.8 | -28 | 177.5 | 26.3 | -34.6 | 0 | 0 | 0 | 113.2 | E1015 | P1011-E1015 WeakPolarHBondContact O-CB 3.32Å; P1011-E1015 PolarHBondContact O-N 3Å |
| 1012 | A | 85.3 | Confident | 89.1 | Confident | 48 Ų | 48 | 60 Ų | 60 | 40% | 0.397 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | D1010 T1014 E1015 N1016 | D1010-A1012 VanDerWaalsContact C-N 3.26Å; D1010-A1012 PolarHBondContact O-N 3.29Å; D1010-A1012 VanDerWaalsContact OD1-CB 3.28Å; D1010-A1012 WeakPolarHBondContact OD1-CB 3.44Å; D1010-A1012 PolarHBondContact OD1-N 2.67Å; A1012-T1014 VanDerWaalsContact C-N 3.28Å; A1012-T1014 PolarHBondContact O-N 3.29Å; A1012-E1015 PolarHBondContact O-N 3.17Å; A1012-N1016 WeakPolarHBondContact O-CB 3.14Å; A1012-N1016 PolarHBondContact O-N 3.36Å; A1012-N1016 PolarHBondContact O-ND2 3.46Å; A1012-N1016 VanDerWaalsContact O-ND2 3.13Å |
| 1013 | D | 85.3 | Confident | 89 | Confident | 51 Ų | 51 | 61.3 Ų | 61.3 | 27% | 0.273 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 173.2 | -71.6 | -22.9 | 0 | 0 | 0 | 111 | L1008 D1010 N1016 V1017 | L1008-D1013 HydrophobicContact CD1-CB 4.02Å; L1008-D1013 HydrophobicContact CD2-CB 4.3Å; D1010-D1013 HydrophobicContact CB-CB 4.23Å; D1010-D1013 PolarHBondContact O-N 3.45Å; D1013-N1016 PolarHBondContact O-N 3.36Å; D1013-V1017 WeakPolarHBondContact O-CG2 3.34Å; D1013-V1017 PolarHBondContact O-N 3.33Å |
| 1014 | T | 89.4 | Confident | 89 | Confident | 30 Ų | 30 | 61.8 Ų | 61.8 | 18% | 0.184 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -61.2 | -47.3 | 174.8 | -54 | 0 | 0 | 0 | 0 | 111.4 | D1010 A1012 N1016 V1017 L1018 | D1010-T1014 WeakPolarHBondContact O-CB 3.48Å; D1010-T1014 PolarHBondContact O-N 3.09Å; D1010-T1014 PolarHBondContact O-OG1 3.41Å; A1012-T1014 VanDerWaalsContact C-N 3.28Å; A1012-T1014 PolarHBondContact O-N 3.29Å; T1014-N1016 VanDerWaalsContact C-N 3.32Å; T1014-N1016 PolarHBondContact O-N 3.48Å; T1014-V1017 PolarHBondContact O-N 3.31Å; T1014-L1018 HydrophobicContact CG2-CD1 4.18Å; T1014-L1018 WeakPolarHBondContact O-CB 3.4Å; T1014-L1018 VanDerWaalsContact O-CG 3.27Å; T1014-L1018 WeakPolarHBondContact O-CG 3.46Å; T1014-L1018 PolarHBondContact O-N 2.79Å |
| 1015 | E | 89.4 | Confident | 88.9 | Confident | 110 Ų | 110 | 65.4 Ų | 65.4 | 51% | 0.514 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.4 | -38.8 | 176.5 | -157.5 | -155.3 | 151.7 | 0 | 0 | 111.8 | P1011 A1012 L1018 K1019 | P1011-E1015 WeakPolarHBondContact O-CB 3.32Å; P1011-E1015 PolarHBondContact O-N 3Å; A1012-E1015 PolarHBondContact O-N 3.17Å; E1015-L1018 PolarHBondContact O-N 3.38Å; E1015-K1019 VanDerWaalsContact O-CG 3.29Å; E1015-K1019 WeakPolarHBondContact O-CG 3.42Å; E1015-K1019 PolarHBondContact O-N 2.87Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.48Å; E1015-K1019 IonicContact OE1-NZ 2.67Å; E1015-K1019 PolarHBondContact OE1-NZ 3.13Å; E1015-K1019 IonicContact OE2-NZ 3.32Å; E1015-K1019 PolarHBondContact OE2-NZ 3.22Å |
| 1016 | N | 87.4 | Confident | 88.8 | Confident | 72 Ų | 72 | 71.8 Ų | 71.8 | 39% | 0.385 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.9 | -48 | 177 | -71.3 | -30 | 0 | 0 | 0 | 112 | A1012 D1013 T1014 L1018 K1019 Y1020 | A1012-N1016 WeakPolarHBondContact O-CB 3.14Å; A1012-N1016 PolarHBondContact O-N 3.36Å; A1012-N1016 PolarHBondContact O-ND2 3.46Å; A1012-N1016 VanDerWaalsContact O-ND2 3.13Å; D1013-N1016 PolarHBondContact O-N 3.36Å; T1014-N1016 VanDerWaalsContact C-N 3.32Å; T1014-N1016 PolarHBondContact O-N 3.48Å; N1016-L1018 VanDerWaalsContact C-N 3.29Å; N1016-L1018 PolarHBondContact O-N 3.33Å; N1016-K1019 WeakPolarHBondContact O-CB 3.43Å; N1016-K1019 PolarHBondContact O-N 2.7Å; N1016-K1019 VanDerWaalsContact O-N 3.14Å; N1016-Y1020 VanDerWaalsContact O-CD2 3.3Å; N1016-Y1020 WeakPolarHBondContact O-CD2 3.25Å; N1016-Y1020 PolarHBondContact O-N 2.92Å |
| 1017 | V | 90.8 | Very high | 88.9 | Confident | 7 Ų | 7 | 72.2 Ų | 72.2 | 4% | 0.042 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -60.6 | -38.4 | 175.9 | 168.4 | 0 | 0 | 0 | 0 | 111.4 | Y968 L1001 L1004 L1008 D1013 T1014 Y1020 K1021 | Y968-V1017 HydrophobicContact CD2-CG2 4.25Å; Y968-V1017 HydrophobicContact CE2-CG2 4.39Å; L1001-V1017 HydrophobicContact CB-CG1 4.1Å; L1001-V1017 HydrophobicContact CD2-CG1 4.05Å; L1001-V1017 WeakPolarHBondContact O-CG1 3.48Å; L1004-V1017 HydrophobicContact CB-CG1 4.21Å; L1004-V1017 HydrophobicContact CD2-CG1 4.18Å; L1004-V1017 HydrophobicContact CD2-CG2 3.71Å; L1004-V1017 HydrophobicContact CG-CG1 4.28Å; L1004-V1017 HydrophobicContact CG-CG2 4.19Å; L1008-V1017 HydrophobicContact CD1-CB 4.29Å; L1008-V1017 HydrophobicContact CD1-CG2 3.73Å; D1013-V1017 WeakPolarHBondContact O-CG2 3.34Å; D1013-V1017 PolarHBondContact O-N 3.33Å; T1014-V1017 PolarHBondContact O-N 3.31Å; V1017-Y1020 PolarHBondContact O-N 3.34Å; V1017-K1021 WeakPolarHBondContact O-CB 3.38Å; V1017-K1021 PolarHBondContact O-N 2.92Å |
| 1018 | L | 90.9 | Very high | 88.9 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 40% | 0.403 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -66 | -37.3 | 174.5 | -70.5 | 170.6 | 0 | 0 | 0 | 112.9 | T1014 E1015 N1016 K1021 A1022 | T1014-L1018 HydrophobicContact CG2-CD1 4.18Å; T1014-L1018 WeakPolarHBondContact O-CB 3.4Å; T1014-L1018 VanDerWaalsContact O-CG 3.27Å; T1014-L1018 WeakPolarHBondContact O-CG 3.46Å; T1014-L1018 PolarHBondContact O-N 2.79Å; E1015-L1018 PolarHBondContact O-N 3.38Å; N1016-L1018 VanDerWaalsContact C-N 3.29Å; N1016-L1018 PolarHBondContact O-N 3.33Å; L1018-K1021 HydrophobicContact CD2-CD 4.47Å; L1018-K1021 PolarHBondContact O-N 2.79Å; L1018-A1022 WeakPolarHBondContact O-CB 3.49Å; L1018-A1022 PolarHBondContact O-N 3.49Å |
| 1019 | K | 90.6 | Very high | 88.8 | Confident | 98 Ų | 98 | 73.8 Ų | 73.8 | 43% | 0.426 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -39.3 | 172.9 | -70.9 | 160.8 | -172.4 | 158.5 | 0 | 112.4 | E1015 N1016 S1023 | E1015-K1019 VanDerWaalsContact O-CG 3.29Å; E1015-K1019 WeakPolarHBondContact O-CG 3.42Å; E1015-K1019 PolarHBondContact O-N 2.87Å; E1015-K1019 WeakPolarHBondContact OE1-CE 3.48Å; E1015-K1019 IonicContact OE1-NZ 2.67Å; E1015-K1019 PolarHBondContact OE1-NZ 3.13Å; E1015-K1019 IonicContact OE2-NZ 3.32Å; E1015-K1019 PolarHBondContact OE2-NZ 3.22Å; N1016-K1019 WeakPolarHBondContact O-CB 3.43Å; N1016-K1019 PolarHBondContact O-N 2.7Å; N1016-K1019 VanDerWaalsContact O-N 3.14Å; K1019-S1023 WeakPolarHBondContact O-CB 3.33Å; K1019-S1023 PolarHBondContact O-N 2.67Å; K1019-S1023 PolarHBondContact O-OG 2.71Å |
| 1020 | Y | 89.9 | Confident | 88.7 | Confident | 130 Ų | 130 | 68 Ų | 68 | 51% | 0.51 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.9 | -50.1 | 173.1 | -82.8 | -73 | 0 | 0 | 0 | 111.1 | Y968 N1016 V1017 A1022 S1023 V1024 | Y968-Y1020 HydrophobicContact CE2-CD2 4.41Å; Y968-Y1020 VanDerWaalsContact OH-CE2 3.29Å; Y968-Y1020 WeakPolarHBondContact OH-CE2 3.49Å; N1016-Y1020 VanDerWaalsContact O-CD2 3.3Å; N1016-Y1020 WeakPolarHBondContact O-CD2 3.25Å; N1016-Y1020 PolarHBondContact O-N 2.92Å; V1017-Y1020 PolarHBondContact O-N 3.34Å; Y1020-A1022 PolarHBondContact O-N 3.19Å; Y1020-S1023 WeakPolarHBondContact O-CA 3.25Å; Y1020-S1023 WeakPolarHBondContact O-CB 3.48Å; Y1020-S1023 PolarHBondContact O-N 2.9Å; Y1020-V1024 PolarHBondContact O-N 3.2Å |
| 1021 | K | 93.7 | Very high | 88.3 | Confident | 33 Ų | 33 | 66.1 Ų | 66.1 | 14% | 0.143 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -53.1 | -53.8 | 177.2 | -172 | -162.4 | 167.5 | -161.6 | 0 | 111.7 | L1001 D1002 V1017 L1018 S1023 V1024 E1025 | L1001-K1021 HydrophobicContact CB-CB 4.01Å; L1001-K1021 HydrophobicContact CB-CG 4.27Å; L1001-K1021 HydrophobicContact CD1-CB 4.45Å; D1002-K1021 HydrophobicContact CB-CD 4.04Å; D1002-K1021 WeakPolarHBondContact OD1-CE 3.41Å; D1002-K1021 IonicContact OD1-NZ 3.18Å; D1002-K1021 PolarHBondContact OD1-NZ 3.46Å; V1017-K1021 WeakPolarHBondContact O-CB 3.38Å; V1017-K1021 PolarHBondContact O-N 2.92Å; L1018-K1021 HydrophobicContact CD2-CD 4.47Å; L1018-K1021 PolarHBondContact O-N 2.79Å; K1021-S1023 PolarHBondContact O-N 3.49Å; K1021-S1023 VanDerWaalsContact O-N 3.08Å; K1021-V1024 PolarHBondContact O-N 2.69Å; K1021-E1025 VanDerWaalsContact CE-CD 3.46Å; K1021-E1025 WeakPolarHBondContact CE-OE1 3.3Å; K1021-E1025 HydrophobicContact CG-CG 4.45Å; K1021-E1025 IonicContact NZ-OE1 2.72Å; K1021-E1025 PolarHBondContact NZ-OE1 2.86Å; K1021-E1025 WeakPolarHBondContact O-CG 3.47Å; K1021-E1025 PolarHBondContact O-N 2.71Å |
| 1022 | A | 91.6 | Very high | 87.6 | Confident | 40 Ų | 40 | 64.3 Ų | 64.3 | 33% | 0.331 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -62.7 | -18.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | L1018 Y1020 R1026 | L1018-A1022 WeakPolarHBondContact O-CB 3.49Å; L1018-A1022 PolarHBondContact O-N 3.49Å; Y1020-A1022 PolarHBondContact O-N 3.19Å; A1022-R1026 WeakPolarHBondContact O-CB 3.21Å; A1022-R1026 PolarHBondContact O-N 3.39Å; A1022-R1026 PolarHBondContact O-NH2 3.26Å |
| 1023 | S | 90.8 | Very high | 86.4 | Confident | 58 Ų | 58 | 70.3 Ų | 70.3 | 41% | 0.406 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -86.8 | -32.5 | 174 | -60 | 0 | 0 | 0 | 0 | 112.8 | K1019 Y1020 K1021 R1026 R1027 | K1019-S1023 WeakPolarHBondContact O-CB 3.33Å; K1019-S1023 PolarHBondContact O-N 2.67Å; K1019-S1023 PolarHBondContact O-OG 2.71Å; Y1020-S1023 WeakPolarHBondContact O-CA 3.25Å; Y1020-S1023 WeakPolarHBondContact O-CB 3.48Å; Y1020-S1023 PolarHBondContact O-N 2.9Å; K1021-S1023 PolarHBondContact O-N 3.49Å; K1021-S1023 VanDerWaalsContact O-N 3.08Å; S1023-R1026 PolarHBondContact OG-NH1 3.05Å; S1023-R1027 PolarHBondContact O-N 3.42Å |
| 1024 | V | 90.7 | Very high | 84.9 | Confident | 11 Ų | 11 | 71.7 Ų | 71.7 | 7% | 0.067 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -68.9 | -46.5 | 168.6 | 180 | 0 | 0 | 0 | 0 | 110.6 | V975 Y994 A998 L1001 Y1020 K1021 R1026 R1027 I1028 | V975-V1024 HydrophobicContact CG2-CG2 3.67Å; Y994-V1024 HydrophobicContact CD1-CG1 3.98Å; Y994-V1024 HydrophobicContact CG-CG1 4.4Å; Y994-V1024 VanDerWaalsContact O-CG1 3.3Å; Y994-V1024 WeakPolarHBondContact O-CG1 3.38Å; A998-V1024 HydrophobicContact CB-CG1 4.05Å; L1001-V1024 HydrophobicContact CD1-CG2 4.2Å; Y1020-V1024 PolarHBondContact O-N 3.2Å; K1021-V1024 PolarHBondContact O-N 2.69Å; V1024-R1026 VanDerWaalsContact C-N 3.31Å; V1024-R1026 PolarHBondContact O-N 3.01Å; V1024-R1027 WeakPolarHBondContact O-CA 3.46Å; V1024-R1027 WeakPolarHBondContact O-CB 3.19Å; V1024-R1027 PolarHBondContact O-N 3.03Å; V1024-I1028 HydrophobicContact CG1-CD1 4.23Å; V1024-I1028 HydrophobicContact CG1-CG1 4.5Å; V1024-I1028 WeakPolarHBondContact O-CG1 3.27Å; V1024-I1028 PolarHBondContact O-N 2.75Å |
| 1025 | E | 90.7 | Very high | 83 | Confident | 79 Ų | 79 | 74.6 Ų | 74.6 | 37% | 0.369 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57 | -43.7 | 177.6 | -72.1 | 173.4 | 134.6 | 0 | 0 | 111.7 | A998 K1021 R1027 I1028 S1029 | A998-E1025 HydrophobicContact CB-CG 4.39Å; K1021-E1025 VanDerWaalsContact CE-CD 3.46Å; K1021-E1025 WeakPolarHBondContact CE-OE1 3.3Å; K1021-E1025 HydrophobicContact CG-CG 4.45Å; K1021-E1025 IonicContact NZ-OE1 2.72Å; K1021-E1025 PolarHBondContact NZ-OE1 2.86Å; K1021-E1025 WeakPolarHBondContact O-CG 3.47Å; K1021-E1025 PolarHBondContact O-N 2.71Å; E1025-R1027 PolarHBondContact O-N 2.98Å; E1025-I1028 WeakPolarHBondContact O-CB 3.29Å; E1025-I1028 PolarHBondContact O-N 2.82Å; E1025-I1028 VanDerWaalsContact O-N 3.16Å; E1025-S1029 PolarHBondContact O-N 3.24Å; E1025-S1029 PolarHBondContact O-OG 2.94Å |
| 1026 | R | 89.7 | Confident | 80.9 | Confident | 153 Ų | 153 | 73.8 Ų | 73.8 | 58% | 0.577 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -59.5 | -32.6 | 174.1 | -166.4 | -174.7 | -54.6 | 107.8 | 8.5 | 112.7 | A1022 S1023 V1024 S1030 | A1022-R1026 WeakPolarHBondContact O-CB 3.21Å; A1022-R1026 PolarHBondContact O-N 3.39Å; A1022-R1026 PolarHBondContact O-NH2 3.26Å; S1023-R1026 PolarHBondContact OG-NH1 3.05Å; V1024-R1026 VanDerWaalsContact C-N 3.31Å; V1024-R1026 PolarHBondContact O-N 3.01Å; R1026-S1030 PolarHBondContact O-N 3.43Å; R1026-S1030 VanDerWaalsContact O-N 3.16Å; R1026-S1030 PolarHBondContact O-OG 2.97Å |
| 1027 | R | 88.7 | Confident | 78.7 | Confident | 106 Ų | 106 | 74.8 Ų | 74.8 | 40% | 0.4 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -74.9 | -40.8 | 175.4 | -171.9 | 49.2 | 159.2 | -179.6 | -7.4 | 111.9 | E982 Y994 S1023 V1024 E1025 S1030 L1031 | E982-R1027 VanDerWaalsContact CD-NE 3.34Å; E982-R1027 IonicContact OE1-CZ 2.74Å; E982-R1027 IonicContact OE1-NE 2.65Å; E982-R1027 PolarHBondContact OE1-NE 3.34Å; E982-R1027 IonicContact OE1-NH1 2.67Å; E982-R1027 IonicContact OE1-NH2 3.55Å; E982-R1027 PolarHBondContact OE1-NH2 3.5Å; E982-R1027 IonicContact OE2-CZ 2.67Å; E982-R1027 IonicContact OE2-NE 3.11Å; E982-R1027 PolarHBondContact OE2-NE 3.29Å; E982-R1027 IonicContact OE2-NH2 3.63Å; E982-R1027 PolarHBondContact OE2-NH2 3.17Å; Y994-R1027 HydrophobicContact CD2-CG 4.26Å; Y994-R1027 HydrophobicContact CE1-CG 4.44Å; Y994-R1027 HydrophobicContact CE2-CG 3.74Å; S1023-R1027 PolarHBondContact O-N 3.42Å; V1024-R1027 WeakPolarHBondContact O-CA 3.46Å; V1024-R1027 WeakPolarHBondContact O-CB 3.19Å; V1024-R1027 PolarHBondContact O-N 3.03Å; E1025-R1027 PolarHBondContact O-N 2.98Å; R1027-S1030 WeakPolarHBondContact O-CB 3.47Å; R1027-S1030 PolarHBondContact O-N 3.48Å; R1027-S1030 VanDerWaalsContact O-N 3.17Å; R1027-L1031 PolarHBondContact O-N 3.22Å |
| 1028 | I | 87.3 | Confident | 76.3 | Confident | 31 Ų | 31 | 81 Ų | 81 | 16% | 0.159 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57 | -50.2 | 172.1 | -60.8 | 168.1 | 0 | 0 | 0 | 110.1 | A998 V1024 E1025 S1030 L1031 C1032 | A998-I1028 HydrophobicContact CB-CD1 4.1Å; V1024-I1028 HydrophobicContact CG1-CD1 4.23Å; V1024-I1028 HydrophobicContact CG1-CG1 4.5Å; V1024-I1028 WeakPolarHBondContact O-CG1 3.27Å; V1024-I1028 PolarHBondContact O-N 2.75Å; E1025-I1028 WeakPolarHBondContact O-CB 3.29Å; E1025-I1028 PolarHBondContact O-N 2.82Å; E1025-I1028 VanDerWaalsContact O-N 3.16Å; I1028-S1030 VanDerWaalsContact C-N 3.28Å; I1028-S1030 PolarHBondContact O-N 2.71Å; I1028-L1031 WeakPolarHBondContact O-CB 3.24Å; I1028-L1031 PolarHBondContact O-N 3.22Å; I1028-C1032 PolarHBondContact O-N 3.23Å; I1028-C1032 PolarHBondContact O-SG 2.97Å; I1028-C1032 VanDerWaalsContact O-SG 3.34Å |
| 1029 | S | 85.8 | Confident | 73.7 | Confident | 63 Ų | 63 | 87.6 Ų | 87.6 | 44% | 0.441 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -56.7 | -42.9 | 176.1 | -51.6 | 0 | 0 | 0 | 0 | 112.1 | E1025 L1031 C1032 Y1033 | E1025-S1029 PolarHBondContact O-N 3.24Å; E1025-S1029 PolarHBondContact O-OG 2.94Å; S1029-L1031 PolarHBondContact O-N 2.99Å; S1029-C1032 PolarHBondContact O-N 3.1Å; S1029-Y1033 WeakPolarHBondContact O-CD2 3.46Å; S1029-Y1033 PolarHBondContact O-N 3.44Å; S1029-Y1033 VanDerWaalsContact O-N 3.07Å |
| 1030 | S | 83.1 | Confident | 70.9 | Confident | 50 Ų | 50 | 94 Ų | 94 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -61.4 | -42.3 | 179 | -56.5 | 0 | 0 | 0 | 0 | 112.2 | R1026 R1027 I1028 Y1033 C1034 | R1026-S1030 PolarHBondContact O-N 3.43Å; R1026-S1030 VanDerWaalsContact O-N 3.16Å; R1026-S1030 PolarHBondContact O-OG 2.97Å; R1027-S1030 WeakPolarHBondContact O-CB 3.47Å; R1027-S1030 PolarHBondContact O-N 3.48Å; R1027-S1030 VanDerWaalsContact O-N 3.17Å; I1028-S1030 VanDerWaalsContact C-N 3.28Å; I1028-S1030 PolarHBondContact O-N 2.71Å; S1030-Y1033 PolarHBondContact O-N 2.79Å; S1030-C1034 PolarHBondContact O-N 3.37Å; S1030-C1034 PolarHBondContact O-SG 3.01Å |
| 1031 | L | 78.5 | Confident | 69.9 | Low | 37 Ų | 37 | 92.2 Ų | 92.2 | 19% | 0.194 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -61.7 | -47.6 | 175.3 | -81.1 | 161.1 | 0 | 0 | 0 | 111.7 | E982 I990 Y994 R1027 I1028 S1029 Y1033 C1034 T1035 | E982-L1031 VanDerWaalsContact OE1-CD2 3.31Å; E982-L1031 WeakPolarHBondContact OE1-CD2 3.08Å; I990-L1031 HydrophobicContact CG2-CD1 3.82Å; I990-L1031 HydrophobicContact CG2-CD2 4.44Å; Y994-L1031 HydrophobicContact CD2-CD1 3.57Å; Y994-L1031 HydrophobicContact CE2-CD1 3.8Å; R1027-L1031 PolarHBondContact O-N 3.22Å; I1028-L1031 WeakPolarHBondContact O-CB 3.24Å; I1028-L1031 PolarHBondContact O-N 3.22Å; S1029-L1031 PolarHBondContact O-N 2.99Å; L1031-Y1033 VanDerWaalsContact C-N 3.3Å; L1031-Y1033 PolarHBondContact O-N 3.2Å; L1031-C1034 PolarHBondContact O-N 3.43Å; L1031-C1034 VanDerWaalsContact O-N 3.17Å; L1031-T1035 PolarHBondContact O-N 3.01Å; L1031-T1035 PolarHBondContact O-OG1 2.9Å |
| 1032 | C | 69.4 | Low | 68.7 | Low | 67 Ų | 67 | 95.3 Ų | 95.3 | 45% | 0.453 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.3 | -32.8 | -179.9 | -63.8 | 0 | 0 | 0 | 0 | 113.2 | I1028 S1029 T1035 | I1028-C1032 PolarHBondContact O-N 3.23Å; I1028-C1032 PolarHBondContact O-SG 2.97Å; I1028-C1032 VanDerWaalsContact O-SG 3.34Å; S1029-C1032 PolarHBondContact O-N 3.1Å; C1032-T1035 WeakPolarHBondContact CA-OG1 2.79Å; C1032-T1035 PolarHBondContact O-OG1 3.03Å |
| 1033 | Y | 60.1 | Low | 67.4 | Low | 174 Ų | 174 | 98.4 Ų | 98.4 | 68% | 0.682 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -68 | -41.5 | 173 | -81.8 | -65.2 | 0 | 0 | 0 | 112.4 | S1029 S1030 L1031 T1035 V1036 T1037 | S1029-Y1033 WeakPolarHBondContact O-CD2 3.46Å; S1029-Y1033 PolarHBondContact O-N 3.44Å; S1029-Y1033 VanDerWaalsContact O-N 3.07Å; S1030-Y1033 PolarHBondContact O-N 2.79Å; L1031-Y1033 VanDerWaalsContact C-N 3.3Å; L1031-Y1033 PolarHBondContact O-N 3.2Å; Y1033-T1035 VanDerWaalsContact C-N 3.26Å; Y1033-T1035 PolarHBondContact O-N 3.4Å; Y1033-V1036 PolarHBondContact O-N 3.13Å; Y1033-V1036 VanDerWaalsContact O-N 3.09Å; Y1033-T1037 PolarHBondContact O-N 3.3Å; Y1033-T1037 PolarHBondContact O-OG1 3.06Å |
| 1034 | C | 54 | Low | 66.1 | Low | 80 Ų | 80 | 100.8 Ų | 100.8 | 54% | 0.541 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -29.5 | 178.8 | -70.8 | 0 | 0 | 0 | 0 | 113.6 | S1030 L1031 T1037 | S1030-C1034 PolarHBondContact O-N 3.37Å; S1030-C1034 PolarHBondContact O-SG 3.01Å; L1031-C1034 PolarHBondContact O-N 3.43Å; L1031-C1034 VanDerWaalsContact O-N 3.17Å; C1034-T1037 PolarHBondContact O-OG1 3.18Å |
| 1035 | T | 51 | Low | 64.5 | Low | 91 Ų | 91 | 106.4 Ų | 106.4 | 56% | 0.558 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -72.6 | -22.4 | 174.3 | 39 | 0 | 0 | 0 | 0 | 114.3 | L1031 C1032 Y1033 | L1031-T1035 PolarHBondContact O-N 3.01Å; L1031-T1035 PolarHBondContact O-OG1 2.9Å; C1032-T1035 WeakPolarHBondContact CA-OG1 2.79Å; C1032-T1035 PolarHBondContact O-OG1 3.03Å; Y1033-T1035 VanDerWaalsContact C-N 3.26Å; Y1033-T1035 PolarHBondContact O-N 3.4Å |
| 1036 | V | 44.6 | Very low | 62.8 | Low | 92 Ų | 92 | 108.2 Ų | 108.2 | 56% | 0.558 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -80.6 | -41.8 | 176.4 | 178.7 | 0 | 0 | 0 | 0 | 110.6 | Y1033 L1038 Y1039 | Y1033-V1036 PolarHBondContact O-N 3.13Å; Y1033-V1036 VanDerWaalsContact O-N 3.09Å; V1036-L1038 PolarHBondContact O-N 3.2Å; V1036-Y1039 PolarHBondContact O-N 3.2Å; V1036-Y1039 VanDerWaalsContact O-N 3.13Å |
| 1037 | T | 40.5 | Very low | 60.8 | Low | 94 Ų | 94 | 105 Ų | 105 | 58% | 0.577 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73 | 20.6 | 179.7 | 56.7 | 0 | 0 | 0 | 0 | 114.8 | Y1033 C1034 | Y1033-T1037 PolarHBondContact O-N 3.3Å; Y1033-T1037 PolarHBondContact O-OG1 3.06Å; C1034-T1037 PolarHBondContact O-OG1 3.18Å |
| 1038 | L | 39.8 | Very low | 58.7 | Low | 136 Ų | 136 | 104.9 Ų | 104.9 | 71% | 0.712 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -120.2 | 3 | 172.6 | -72.8 | 170.8 | 0 | 0 | 0 | 112.3 | V1036 | V1036-L1038 PolarHBondContact O-N 3.2Š|
| 1039 | Y | 37.4 | Very low | 56.3 | Low | 217 Ų | 217 | 111.1 Ų | 111.1 | 85% | 0.851 | 58% | 0.583 | S | S | * | * | trans | -124.6 | 10.6 | 176.6 | -74.8 | -79.8 | 0 | 0 | 0 | 113.3 | V1036 | V1036-Y1039 PolarHBondContact O-N 3.2Å; V1036-Y1039 VanDerWaalsContact O-N 3.13Å | ||
| 1040 | E | 31.8 | Very low | 53.7 | Low | 232 Ų | 232 | 115.5 Ų | 115.5 | 100% | 1.084 | 60% | 0.596 | S | S | * | * | trans | -112.7 | 0 | 160.7 | -68.8 | -169.1 | 140.2 | 0 | 0 | 109.8 |
Retrieved 1,040 of 1,040 residues in 189.6 ms
(Link to these results)