| 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 | 34.8 | Very low | 59.3 | Low | 242 Ų | 242 | 106.7 Ų | 106.7 | 100% | 1.192 | 60% | 0.597 | S | S | * | * | 0 | 98.2 | 0 | -73.9 | 152.9 | 165.7 | 0 | 0 | 107.9 | G3 | M1-G3 PolarHBondContact O-N 3.1Š| |||
| 2 | N | 41.7 | Very low | 62.2 | Low | 169 Ų | 169 | 99.3 Ų | 99.3 | 90% | 0.904 | 55% | 0.554 | S | S | * | * | trans | -76.3 | 114.8 | 171.3 | -75.4 | -24.2 | 0 | 0 | 0 | 107.4 | Q4 | N2-Q4 VanDerWaalsContact C-N 3.3Å; N2-Q4 PolarHBondContact O-N 3.05Å | ||
| 3 | G | 47.5 | Very low | 64.7 | Low | 70 Ų | 70 | 91.7 Ų | 91.7 | 72% | 0.722 | 51% | 0.512 | S | S | * | . | trans | -67.6 | 92.8 | 171.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | M1 L5 | M1-G3 PolarHBondContact O-N 3.1Å; G3-L5 VanDerWaalsContact C-N 3.26Å; G3-L5 PolarHBondContact O-N 2.82Å | ||
| 4 | Q | 46.9 | Very low | 67 | Low | 187 Ų | 187 | 91.9 Ų | 91.9 | 87% | 0.874 | 51% | 0.505 | S | S | * | . | trans | -64.6 | 93.1 | 171.8 | -175.4 | 167.3 | -13.1 | 0 | 0 | 107.3 | N2 D6 | N2-Q4 VanDerWaalsContact C-N 3.3Å; N2-Q4 PolarHBondContact O-N 3.05Å; Q4-D6 PolarHBondContact O-N 2.91Å | ||
| 5 | L | 59.7 | Low | 68.9 | Low | 109 Ų | 109 | 85.7 Ų | 85.7 | 57% | 0.571 | 47% | 0.471 | S | S | * | . | trans | -61.9 | 106.7 | 171.7 | -68.4 | 170.6 | 0 | 0 | 0 | 106.3 | G3 L7 | G3-L5 VanDerWaalsContact C-N 3.26Å; G3-L5 PolarHBondContact O-N 2.82Å; L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 HydrophobicContact CB-CD2 4.25Å; L5-L7 HydrophobicContact CB-CG 4.08Å; L5-L7 PolarHBondContact O-N 3.35Å | ||
| 6 | D | 57.1 | Low | 70.6 | Confident | 125 Ų | 125 | 84 Ų | 84 | 67% | 0.668 | 46% | 0.459 | S | S | * | . | trans | -69.8 | 93.6 | 170.1 | -173.5 | 1 | 0 | 0 | 0 | 108 | Q4 S8 | Q4-D6 PolarHBondContact O-N 2.91Å; D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 WeakPolarHBondContact OD1-CB 3.43Å; D6-S8 PolarHBondContact OD1-N 3.22Å; D6-S8 VanDerWaalsContact OD1-N 3.16Å; D6-S8 PolarHBondContact OD1-OG 3.49Å; D6-S8 PolarHBondContact OD2-OG 2.95Å | ||
| 7 | L | 65.3 | Low | 71.8 | Confident | 45 Ų | 45 | 79.8 Ų | 79.8 | 24% | 0.236 | 44% | 0.436 | C | S | . | . | trans | -89 | 17.4 | 179.2 | -63.4 | 170 | 0 | 0 | 0 | 111.6 | L5 G9 K10 I12 R82 I83 | L5-L7 VanDerWaalsContact C-N 3.29Å; L5-L7 HydrophobicContact CB-CD2 4.25Å; L5-L7 HydrophobicContact CB-CG 4.08Å; L5-L7 PolarHBondContact O-N 3.35Å; L7-G9 PolarHBondContact O-N 3.29Å; L7-K10 PolarHBondContact O-N 3.28Å; L7-I12 HydrophobicContact CD2-CD1 3.55Å; L7-I12 HydrophobicContact CD2-CG1 4.19Å; L7-R82 HydrophobicContact CB-CB 4.42Å; L7-R82 HydrophobicContact CD1-CB 4.39Å; L7-I83 HydrophobicContact CD1-CD1 3.89Å; L7-I83 HydrophobicContact CD1-CG1 3.78Å | ||
| 8 | S | 57.4 | Low | 72.7 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 57% | 0.566 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -52.3 | 112.9 | 176.7 | 48.8 | 0 | 0 | 0 | 0 | 111 | D6 K10 | D6-S8 VanDerWaalsContact CG-OG 3.27Å; D6-S8 WeakPolarHBondContact OD1-CB 3.43Å; D6-S8 PolarHBondContact OD1-N 3.22Å; D6-S8 VanDerWaalsContact OD1-N 3.16Å; D6-S8 PolarHBondContact OD1-OG 3.49Å; D6-S8 PolarHBondContact OD2-OG 2.95Å; S8-K10 VanDerWaalsContact C-N 3.27Å; S8-K10 PolarHBondContact O-N 2.95Å |
| 9 | G | 65.3 | Low | 73.4 | Confident | 33 Ų | 33 | 77.8 Ų | 77.8 | 34% | 0.34 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 10 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.7 | L7 | L7-G9 PolarHBondContact O-N 3.29Š|
| 10 | K | 84.9 | Confident | 74.2 | Confident | 112 Ų | 112 | 75.4 Ų | 75.4 | 49% | 0.487 | 42% | 0.416 | S | S | . | . | trans | -120.6 | 101 | -174.3 | -72.1 | -178.7 | -177.8 | 171.5 | 0 | 112.9 | L7 S8 | L7-K10 PolarHBondContact O-N 3.28Å; S8-K10 VanDerWaalsContact C-N 3.27Å; S8-K10 PolarHBondContact O-N 2.95Å | ||
| 11 | L | 91.7 | Very high | 75.2 | Confident | 1 Ų | 1 | 76.7 Ų | 76.7 | 1% | 0.005 | 42% | 0.421 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.7 | 135 | 171.2 | 173.7 | 64.3 | 0 | 0 | 0 | 110.5 | I13 I26 I31 I78 L84 | L11-I13 HydrophobicContact CD2-CD1 4.42Å; L11-I13 HydrophobicContact CD2-CG1 4.47Å; L11-I13 HydrophobicContact CG-CG1 4.27Å; L11-I26 HydrophobicContact CB-CB 4.08Å; L11-I26 HydrophobicContact CD2-CB 4.13Å; L11-I26 HydrophobicContact CD2-CG1 4.28Å; L11-I26 HydrophobicContact CD2-CG2 4.27Å; L11-I26 HydrophobicContact CG-CB 4.13Å; L11-I26 HydrophobicContact CG-CG1 4.27Å; L11-I26 PolarHBondContact N-O 3.31Å; L11-I26 PolarHBondContact O-N 3.22Å; L11-I26 VanDerWaalsContact O-O 3.11Å; L11-I31 HydrophobicContact CD2-CG2 3.98Å; L11-I78 HydrophobicContact CD1-CG1 4.15Å; L11-I78 HydrophobicContact CD1-CG2 4.42Å; L11-I78 HydrophobicContact CD2-CD1 3.86Å; L11-I78 HydrophobicContact CD2-CG1 3.99Å; L11-L84 HydrophobicContact CD1-CD1 4.1Å; L11-L84 HydrophobicContact CD1-CG 4.03Å |
| 12 | I | 93.9 | Very high | 78.1 | Confident | 17 Ų | 17 | 69.8 Ų | 69.8 | 9% | 0.087 | 38% | 0.382 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.4 | 175.6 | -58.7 | -174.2 | 0 | 0 | 0 | 108.9 | L7 R23 R82 I83 L84 | L7-I12 HydrophobicContact CD2-CD1 3.55Å; L7-I12 HydrophobicContact CD2-CG1 4.19Å; I12-R23 HydrophobicContact CG2-CG 3.82Å; I12-R82 PolarHBondContact N-O 3.19Å; I12-I83 HydrophobicContact CB-CG1 4.36Å; I12-I83 CarbonylContact O-C 3.59Å; I12-I83 VanDerWaalsContact O-CA 3.3Å; I12-I83 WeakPolarHBondContact O-CA 3.26Å; I12-L84 PolarHBondContact O-N 2.9Å |
| 13 | I | 95.7 | Very high | 80.7 | Confident | 1 Ų | 1 | 69.4 Ų | 69.4 | 1% | 0.005 | 37% | 0.368 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 125.7 | 176.8 | -59.8 | -176.7 | 0 | 0 | 0 | 109.2 | L11 A15 R23 I24 I26 L36 M40 L86 | L11-I13 HydrophobicContact CD2-CD1 4.42Å; L11-I13 HydrophobicContact CD2-CG1 4.47Å; L11-I13 HydrophobicContact CG-CG1 4.27Å; I13-A15 HydrophobicContact CG2-CB 4.22Å; I13-R23 CarbonylContact O-C 3.47Å; I13-R23 WeakPolarHBondContact O-CA 3.19Å; I13-I24 HydrophobicContact CB-CB 4.48Å; I13-I24 HydrophobicContact CB-CD1 4.39Å; I13-I24 HydrophobicContact CG2-CD1 4.23Å; I13-I24 PolarHBondContact N-O 2.79Å; I13-I24 PolarHBondContact O-N 3.13Å; I13-I26 HydrophobicContact CD1-CD1 4.11Å; I13-I26 HydrophobicContact CD1-CG1 3.73Å; I13-I26 HydrophobicContact CG1-CG1 3.83Å; I13-L36 HydrophobicContact CD1-CD1 3.49Å; I13-L36 VanDerWaalsContact CD1-CD1 3.49Å; I13-M40 HydrophobicContact CD1-CE 4.48Å; I13-M40 HydrophobicContact CG2-CE 3.74Å; I13-L86 HydrophobicContact CD1-CD1 4.48Å; I13-L86 HydrophobicContact CG2-CD1 3.51Å; I13-L86 HydrophobicContact CG2-CG 3.91Å |
| 14 | K | 96.1 | Very high | 82.9 | Confident | 94 Ų | 94 | 67 Ų | 67 | 41% | 0.409 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.9 | 91.5 | 167 | -69.3 | -177.9 | 66.2 | -176 | 0 | 107.7 | R22 R23 I83 L84 L86 | K14-R22 CarbonylContact C-O 3.45Å; K14-R22 WeakPolarHBondContact CA-O 3.48Å; K14-R23 HydrophobicContact CG-CG 4.21Å; K14-I83 HydrophobicContact CD-CG2 4.21Å; K14-I83 HydrophobicContact CG-CG2 4.42Å; K14-L84 PolarHBondContact N-O 2.76Å; K14-L86 PolarHBondContact O-N 3.48Å |
| 15 | A | 96.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.4 | 138.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | I13 I21 R22 I24 M40 F44 L86 | I13-A15 HydrophobicContact CG2-CB 4.22Å; A15-I21 CarbonylContact O-C 3.53Å; A15-I21 WeakPolarHBondContact O-CA 3.41Å; A15-R22 PolarHBondContact N-O 2.82Å; A15-R22 PolarHBondContact O-N 2.96Å; A15-I24 HydrophobicContact CB-CD1 4.39Å; A15-M40 HydrophobicContact CB-CE 3.96Å; A15-M40 HydrophobicContact CB-SD 3.43Å; A15-M40 WeakPolarHBondContact CB-SD 3.43Å; A15-F44 HydrophobicContact CB-CE2 3.77Å; A15-F44 HydrophobicContact CB-CZ 4.1Å; A15-L86 CarbonylContact C-O 3.48Å; A15-L86 WeakPolarHBondContact CA-O 3.3Å; A15-L86 HydrophobicContact CB-CB 4.48Å |
| 16 | Q | 95.2 | Very high | 86.6 | Confident | 58 Ų | 58 | 57.7 Ų | 57.7 | 27% | 0.271 | 30% | 0.3 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 129 | 177.7 | 179.1 | 171 | 12.2 | 0 | 0 | 110.3 | G18 D20 I21 L86 L88 | Q16-G18 WeakPolarHBondContact CG-O 3.35Å; Q16-G18 PolarHBondContact NE2-O 3.44Å; Q16-D20 WeakPolarHBondContact CA-O 3.38Å; Q16-I21 HydrophobicContact CB-CG1 4.12Å; Q16-I21 HydrophobicContact CG-CG1 3.9Å; Q16-L86 PolarHBondContact N-O 3.31Å; Q16-L88 PolarHBondContact O-N 2.85Å |
| 17 | L | 92 | Very high | 87.9 | Confident | 13 Ų | 13 | 58.4 Ų | 58.4 | 7% | 0.068 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.3 | 95.2 | 170.4 | -178.9 | 66.5 | 0 | 0 | 0 | 108.6 | D19 D20 F44 K47 L48 L88 V90 | L17-D19 PolarHBondContact O-N 2.84Å; L17-D20 PolarHBondContact N-O 3.15Å; L17-D20 PolarHBondContact O-N 3.48Å; L17-F44 HydrophobicContact CB-CD1 3.83Å; L17-F44 HydrophobicContact CB-CD2 4.43Å; L17-F44 HydrophobicContact CB-CE1 3.73Å; L17-F44 HydrophobicContact CB-CE2 4.36Å; L17-F44 HydrophobicContact CB-CG 4.18Å; L17-F44 HydrophobicContact CB-CZ 4.01Å; L17-F44 HydrophobicContact CD2-CB 3.76Å; L17-F44 HydrophobicContact CD2-CD1 3.9Å; L17-F44 HydrophobicContact CD2-CG 3.82Å; L17-K47 HydrophobicContact CD2-CB 3.83Å; L17-L48 HydrophobicContact CD1-CD2 4.13Å; L17-L48 HydrophobicContact CD2-CD1 4.3Å; L17-L48 HydrophobicContact CD2-CD2 3.81Å; L17-L48 HydrophobicContact CD2-CG 3.78Å; L17-L88 HydrophobicContact CB-CB 4.49Å; L17-L88 HydrophobicContact CB-CD1 4.43Å; L17-L88 HydrophobicContact CD1-CB 3.94Å; L17-V90 HydrophobicContact CD1-CG2 3.96Å |
| 18 | G | 87.3 | Confident | 88.7 | Confident | 21 Ų | 21 | 59.7 Ų | 59.7 | 22% | 0.216 | 31% | 0.306 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 61.4 | -125.1 | -169.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q16 D20 L97 | Q16-G18 WeakPolarHBondContact CG-O 3.35Å; Q16-G18 PolarHBondContact NE2-O 3.44Å; G18-D20 VanDerWaalsContact C-N 3.32Å; G18-D20 PolarHBondContact O-N 3.38Å; G18-L97 VanDerWaalsContact C-CD2 3.46Å; G18-L97 WeakPolarHBondContact O-CD2 3.37Å |
| 19 | D | 85.9 | Confident | 89.6 | Confident | 101 Ų | 101 | 59.7 Ų | 59.7 | 54% | 0.54 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -12.4 | 177.8 | -57.7 | -28.7 | 0 | 0 | 0 | 113.8 | L17 K103 | L17-D19 PolarHBondContact O-N 2.84Å; D19-K103 IonicContact OD2-NZ 2.7Å; D19-K103 PolarHBondContact OD2-NZ 3.46Å |
| 20 | D | 90.6 | Very high | 90.6 | Very high | 29 Ų | 29 | 64.6 Ų | 64.6 | 16% | 0.155 | 32% | 0.315 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.4 | 118.8 | -175.4 | -170 | -9.2 | 0 | 0 | 0 | 111.1 | Q16 L17 G18 R22 F44 K47 | Q16-D20 WeakPolarHBondContact CA-O 3.38Å; L17-D20 PolarHBondContact N-O 3.15Å; L17-D20 PolarHBondContact O-N 3.48Å; G18-D20 VanDerWaalsContact C-N 3.32Å; G18-D20 PolarHBondContact O-N 3.38Å; D20-R22 WeakPolarHBondContact OD1-CG 3.41Å; D20-R22 IonicContact OD1-CZ 3.9Å; D20-R22 IonicContact OD1-NE 3.11Å; D20-R22 PolarHBondContact OD1-NE 3.21Å; D20-R22 VanDerWaalsContact OD1-NE 3.11Å; D20-R22 IonicContact OD1-NH2 3.76Å; D20-R22 IonicContact OD2-CZ 3.39Å; D20-R22 IonicContact OD2-NE 3.13Å; D20-R22 PolarHBondContact OD2-NE 2.83Å; D20-R22 VanDerWaalsContact OD2-NE 3.13Å; D20-R22 IonicContact OD2-NH2 2.8Å; D20-R22 PolarHBondContact OD2-NH2 2.95Å; D20-F44 HydrophobicContact CB-CD1 4.5Å; D20-F44 HydrophobicContact CB-CE1 4.02Å; D20-K47 IonicContact OD2-NZ 2.7Å; D20-K47 PolarHBondContact OD2-NZ 3.37Å |
| 21 | I | 94.6 | Very high | 90.9 | Very high | 103 Ų | 103 | 59.8 Ų | 59.8 | 53% | 0.528 | 30% | 0.295 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.8 | 124.7 | -179.9 | -58.6 | 175.4 | 0 | 0 | 0 | 109.4 | A15 Q16 | A15-I21 CarbonylContact O-C 3.53Å; A15-I21 WeakPolarHBondContact O-CA 3.41Å; Q16-I21 HydrophobicContact CB-CG1 4.12Å; Q16-I21 HydrophobicContact CG-CG1 3.9Å |
| 22 | R | 95.4 | Very high | 91 | Very high | 97 Ų | 97 | 62.3 Ų | 62.3 | 37% | 0.366 | 31% | 0.31 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 134.6 | -177.2 | -61.9 | -177.6 | -177.7 | -136.5 | -7.5 | 110.8 | K14 A15 D20 V43 F44 | K14-R22 CarbonylContact C-O 3.45Å; K14-R22 WeakPolarHBondContact CA-O 3.48Å; A15-R22 PolarHBondContact N-O 2.82Å; A15-R22 PolarHBondContact O-N 2.96Å; D20-R22 WeakPolarHBondContact OD1-CG 3.41Å; D20-R22 IonicContact OD1-CZ 3.9Å; D20-R22 IonicContact OD1-NE 3.11Å; D20-R22 PolarHBondContact OD1-NE 3.21Å; D20-R22 VanDerWaalsContact OD1-NE 3.11Å; D20-R22 IonicContact OD1-NH2 3.76Å; D20-R22 IonicContact OD2-CZ 3.39Å; D20-R22 IonicContact OD2-NE 3.13Å; D20-R22 PolarHBondContact OD2-NE 2.83Å; D20-R22 VanDerWaalsContact OD2-NE 3.13Å; D20-R22 IonicContact OD2-NH2 2.8Å; D20-R22 PolarHBondContact OD2-NH2 2.95Å; R22-V43 HydrophobicContact CB-CG1 3.95Å; R22-V43 VanDerWaalsContact CD-CG1 3.44Å; R22-V43 HydrophobicContact CG-CG1 4.3Å; R22-V43 PolarHBondContact NH1-O 2.84Å; R22-F44 HydrophobicContact CB-CE1 4.41Å; R22-F44 HydrophobicContact CB-CZ 4.03Å; R22-F44 VanDerWaalsContact CD-CE1 3.45Å; R22-F44 HydrophobicContact CG-CE1 3.73Å; R22-F44 HydrophobicContact CG-CZ 3.87Å |
| 23 | R | 95.7 | Very high | 91.1 | Very high | 160 Ų | 160 | 63.3 Ų | 63.3 | 60% | 0.604 | 31% | 0.313 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -106.2 | 121.1 | 177.8 | -172.5 | -178.7 | 179.4 | -157.9 | 1.3 | 109.5 | I12 I13 K14 | I12-R23 HydrophobicContact CG2-CG 3.82Å; I13-R23 CarbonylContact O-C 3.47Å; I13-R23 WeakPolarHBondContact O-CA 3.19Å; K14-R23 HydrophobicContact CG-CG 4.21Å |
| 24 | I | 94.3 | Very high | 91.1 | Very high | 21 Ų | 21 | 68.6 Ų | 68.6 | 11% | 0.108 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.3 | 115.2 | -172.1 | -43.7 | 150.7 | 0 | 0 | 0 | 107.7 | I13 A15 I26 M39 M40 V43 | I13-I24 HydrophobicContact CB-CB 4.48Å; I13-I24 HydrophobicContact CB-CD1 4.39Å; I13-I24 HydrophobicContact CG2-CD1 4.23Å; I13-I24 PolarHBondContact N-O 2.79Å; I13-I24 PolarHBondContact O-N 3.13Å; A15-I24 HydrophobicContact CB-CD1 4.39Å; I24-I26 HydrophobicContact CB-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CD1 3.69Å; I24-M39 HydrophobicContact CG2-CE 3.83Å; I24-M40 HydrophobicContact CD1-CE 3.66Å; I24-M40 HydrophobicContact CD1-SD 4.3Å; I24-V43 HydrophobicContact CD1-CB 4.41Å; I24-V43 HydrophobicContact CD1-CG1 4.04Å; I24-V43 HydrophobicContact CD1-CG2 3.89Å; I24-V43 HydrophobicContact CG1-CG1 4.29Å; I24-V43 HydrophobicContact CG1-CG2 4.16Å |
| 25 | P | 93 | Very high | 91 | Very high | 88 Ų | 88 | 68.1 Ų | 68.1 | 57% | 0.571 | 34% | 0.341 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 130.6 | 169.3 | 31.1 | -31.1 | 0 | 0 | 0 | 109.7 | ||
| 26 | I | 91.1 | Very high | 90.9 | Very high | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.062 | 34% | 0.341 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 130.1 | 178.4 | -46.4 | -62.7 | 0 | 0 | 0 | 108 | L11 I13 I24 N28 I31 M39 | L11-I26 HydrophobicContact CB-CB 4.08Å; L11-I26 HydrophobicContact CD2-CB 4.13Å; L11-I26 HydrophobicContact CD2-CG1 4.28Å; L11-I26 HydrophobicContact CD2-CG2 4.27Å; L11-I26 HydrophobicContact CG-CB 4.13Å; L11-I26 HydrophobicContact CG-CG1 4.27Å; L11-I26 PolarHBondContact N-O 3.31Å; L11-I26 PolarHBondContact O-N 3.22Å; L11-I26 VanDerWaalsContact O-O 3.11Å; I13-I26 HydrophobicContact CD1-CD1 4.11Å; I13-I26 HydrophobicContact CD1-CG1 3.73Å; I13-I26 HydrophobicContact CG1-CG1 3.83Å; I24-I26 HydrophobicContact CB-CD1 4.31Å; I24-I26 HydrophobicContact CG2-CD1 3.69Å; I26-N28 VanDerWaalsContact CG2-O 3.32Å; I26-N28 WeakPolarHBondContact CG2-O 3.36Å; I26-I31 HydrophobicContact CG2-CD1 4.33Å; I26-M39 HydrophobicContact CD1-CE 3.4Å; I26-M39 VanDerWaalsContact CD1-CE 3.4Å; I26-M39 HydrophobicContact CD1-SD 3.92Å |
| 27 | H | 84.4 | Confident | 90.8 | Very high | 140 Ų | 140 | 66.6 Ų | 66.6 | 65% | 0.648 | 34% | 0.335 | S | S | * | . | trans | -102.8 | -15.5 | 178.8 | -63.6 | 89.8 | 0 | 0 | 0 | 113 | ||||
| 28 | N | 82.9 | Confident | 90.9 | Very high | 71 Ų | 71 | 71.3 Ų | 71.3 | 38% | 0.38 | 36% | 0.36 | S | S | . | . | trans | -88.1 | 119.4 | 172 | -172.7 | 21.5 | 0 | 0 | 0 | 108.9 | I26 D30 | I26-N28 VanDerWaalsContact CG2-O 3.32Å; I26-N28 WeakPolarHBondContact CG2-O 3.36Å; N28-D30 PolarHBondContact ND2-O 3.44Å; N28-D30 PolarHBondContact OD1-N 2.86Å | ||
| 29 | E | 75.9 | Confident | 91.2 | Very high | 81 Ų | 81 | 73.1 Ų | 73.1 | 38% | 0.379 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -79 | -28.5 | 174.7 | -57.3 | -161.8 | 99.4 | 0 | 0 | 111.3 | I31 R82 | E29-I31 PolarHBondContact O-N 3.11Å; E29-R82 IonicContact OE1-CZ 2.79Å; E29-R82 IonicContact OE1-NH1 2.73Å; E29-R82 PolarHBondContact OE1-NH1 2.83Å; E29-R82 IonicContact OE1-NH2 2.64Å; E29-R82 PolarHBondContact OE1-NH2 3.34Å |
| 30 | D | 85.4 | Confident | 91.5 | Very high | 136 Ų | 136 | 68.3 Ų | 68.3 | 73% | 0.727 | 34% | 0.338 | S | S | * | . | S | Bend | trans | -87.1 | 35 | -179.7 | -53.3 | -67.5 | 0 | 0 | 0 | 112.7 | N28 T32 | N28-D30 PolarHBondContact ND2-O 3.44Å; N28-D30 PolarHBondContact OD1-N 2.86Å; D30-T32 PolarHBondContact O-N 2.87Å |
| 31 | I | 91.2 | Very high | 91.6 | Very high | 11 Ų | 11 | 68.4 Ų | 68.4 | 6% | 0.056 | 34% | 0.337 | C | S | . | . | trans | -69.6 | 125.4 | 179.4 | -176 | 171.1 | 0 | 0 | 0 | 110.9 | L11 I26 E29 E35 L36 M39 L74 I78 | L11-I31 HydrophobicContact CD2-CG2 3.98Å; I26-I31 HydrophobicContact CG2-CD1 4.33Å; E29-I31 PolarHBondContact O-N 3.11Å; I31-E35 HydrophobicContact CG1-CB 3.95Å; I31-L36 HydrophobicContact CD1-CB 4.33Å; I31-L36 HydrophobicContact CD1-CD1 4.42Å; I31-M39 HydrophobicContact CD1-SD 3.74Å; I31-L74 WeakPolarHBondContact O-CD2 3.48Å; I31-I78 HydrophobicContact CG2-CD1 3.97Å | ||
| 32 | T | 95.1 | Very high | 91.5 | Very high | 55 Ų | 55 | 73.6 Ų | 73.6 | 34% | 0.337 | 35% | 0.35 | S | S | . | . | trans | -82.5 | 161.7 | 178.1 | 60.3 | 0 | 0 | 0 | 0 | 112.5 | D30 D34 E35 L36 | D30-T32 PolarHBondContact O-N 2.87Å; T32-D34 PolarHBondContact O-N 3.42Å; T32-E35 PolarHBondContact N-OE2 3.44Å; T32-E35 PolarHBondContact O-N 3.16Å; T32-E35 WeakPolarHBondContact OG1-CB 3.48Å; T32-E35 VanDerWaalsContact OG1-CD 3.29Å; T32-E35 WeakPolarHBondContact OG1-CG 3.29Å; T32-E35 PolarHBondContact OG1-N 3.18Å; T32-E35 PolarHBondContact OG1-OE2 3.39Å; T32-L36 PolarHBondContact O-N 2.9Å | ||
| 33 | Y | 96.1 | Very high | 91.4 | Very high | 37 Ų | 37 | 70.5 Ų | 70.5 | 15% | 0.145 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -60 | -42.7 | 177.9 | -178.6 | -101.1 | 0 | 0 | 0 | 112.6 | E35 L36 V37 I56 I68 S71 | Y33-E35 PolarHBondContact O-N 3.43Å; Y33-L36 WeakPolarHBondContact O-CB 3.32Å; Y33-L36 PolarHBondContact O-N 2.81Å; Y33-V37 HydrophobicContact CD1-CG2 4.14Å; Y33-V37 HydrophobicContact CE1-CG2 3.66Å; Y33-V37 HydrophobicContact CE2-CG2 4.3Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 3.43Å; Y33-I56 HydrophobicContact CE2-CB 4.35Å; Y33-I56 HydrophobicContact CE2-CD1 4.11Å; Y33-I56 HydrophobicContact CE2-CG1 4.35Å; Y33-I68 HydrophobicContact CD2-CB 4.44Å; Y33-I68 HydrophobicContact CD2-CG2 3.55Å; Y33-I68 HydrophobicContact CE2-CB 4.11Å; Y33-I68 HydrophobicContact CE2-CG2 3.71Å; Y33-I68 WeakPolarHBondContact CE2-O 3.47Å; Y33-S71 PolarHBondContact N-OG 3.49Å |
| 34 | D | 93.8 | Very high | 91.2 | Very high | 112 Ų | 112 | 62.9 Ų | 62.9 | 60% | 0.599 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.9 | -41.4 | 178.1 | -60.8 | -75.5 | 0 | 0 | 0 | 112.3 | T32 L36 V37 L38 | T32-D34 PolarHBondContact O-N 3.42Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 3.09Å; D34-V37 PolarHBondContact O-N 2.83Å; D34-L38 WeakPolarHBondContact O-CB 3.34Å; D34-L38 VanDerWaalsContact O-CG 3.32Å; D34-L38 WeakPolarHBondContact O-CG 3.33Å; D34-L38 PolarHBondContact O-N 3.47Å |
| 35 | E | 94.3 | Very high | 90.9 | Very high | 85 Ų | 85 | 72.5 Ų | 72.5 | 40% | 0.397 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 172.4 | -73.3 | 171.8 | 129.7 | 0 | 0 | 111.7 | I31 T32 Y33 L38 M39 | I31-E35 HydrophobicContact CG1-CB 3.95Å; T32-E35 PolarHBondContact N-OE2 3.44Å; T32-E35 PolarHBondContact O-N 3.16Å; T32-E35 WeakPolarHBondContact OG1-CB 3.48Å; T32-E35 VanDerWaalsContact OG1-CD 3.29Å; T32-E35 WeakPolarHBondContact OG1-CG 3.29Å; T32-E35 PolarHBondContact OG1-N 3.18Å; T32-E35 PolarHBondContact OG1-OE2 3.39Å; Y33-E35 PolarHBondContact O-N 3.43Å; E35-L38 PolarHBondContact O-N 3.35Å; E35-M39 WeakPolarHBondContact O-CB 3.47Å; E35-M39 VanDerWaalsContact O-CG 3.28Å; E35-M39 WeakPolarHBondContact O-CG 3.37Å; E35-M39 PolarHBondContact O-N 3.02Å |
| 36 | L | 95 | Very high | 90.5 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -61.6 | -44.4 | 175.9 | -179.3 | 64.3 | 0 | 0 | 0 | 111.6 | I13 I31 T32 Y33 D34 M39 M40 I56 L74 L86 | I13-L36 HydrophobicContact CD1-CD1 3.49Å; I13-L36 VanDerWaalsContact CD1-CD1 3.49Å; I31-L36 HydrophobicContact CD1-CB 4.33Å; I31-L36 HydrophobicContact CD1-CD1 4.42Å; T32-L36 PolarHBondContact O-N 2.9Å; Y33-L36 WeakPolarHBondContact O-CB 3.32Å; Y33-L36 PolarHBondContact O-N 2.81Å; D34-L36 VanDerWaalsContact C-N 3.33Å; D34-L36 PolarHBondContact O-N 3.09Å; L36-M39 WeakPolarHBondContact O-CB 3.42Å; L36-M39 PolarHBondContact O-N 3.34Å; L36-M40 HydrophobicContact CD1-CE 3.53Å; L36-M40 HydrophobicContact CG-CE 4.49Å; L36-M40 WeakPolarHBondContact O-CG 3.46Å; L36-M40 PolarHBondContact O-N 3.48Å; L36-I56 HydrophobicContact CD2-CD1 3.89Å; L36-I56 HydrophobicContact CD2-CG2 4.5Å; L36-I56 HydrophobicContact CG-CD1 3.87Å; L36-L74 HydrophobicContact CB-CD2 4.14Å; L36-L74 HydrophobicContact CD2-CD1 3.65Å; L36-L74 HydrophobicContact CD2-CD2 3.9Å; L36-L74 HydrophobicContact CD2-CG 4.42Å; L36-L86 HydrophobicContact CD1-CD1 4.18Å; L36-L86 HydrophobicContact CD2-CD1 4.13Å |
| 37 | V | 93.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 75.8 Ų | 75.8 | 16% | 0.158 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -61 | -47.7 | 175.6 | 171.7 | 0 | 0 | 0 | 0 | 110.8 | Y33 D34 M39 M40 Q41 I56 | Y33-V37 HydrophobicContact CD1-CG2 4.14Å; Y33-V37 HydrophobicContact CE1-CG2 3.66Å; Y33-V37 HydrophobicContact CE2-CG2 4.3Å; Y33-V37 WeakPolarHBondContact O-CG2 3.22Å; Y33-V37 PolarHBondContact O-N 3.43Å; D34-V37 PolarHBondContact O-N 2.83Å; V37-M39 VanDerWaalsContact C-N 3.3Å; V37-M39 PolarHBondContact O-N 2.86Å; V37-M40 PolarHBondContact O-N 2.91Å; V37-M40 VanDerWaalsContact O-N 3.11Å; V37-Q41 WeakPolarHBondContact O-CG 3.3Å; V37-Q41 PolarHBondContact O-N 3.3Å; V37-I56 HydrophobicContact CG2-CD1 3.87Å |
| 38 | L | 92.6 | Very high | 90.2 | Very high | 111 Ų | 111 | 69.4 Ų | 69.4 | 58% | 0.581 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -59.9 | -39.6 | 175.5 | -73.2 | 169.5 | 0 | 0 | 0 | 112.1 | D34 E35 R42 | D34-L38 WeakPolarHBondContact O-CB 3.34Å; D34-L38 VanDerWaalsContact O-CG 3.32Å; D34-L38 WeakPolarHBondContact O-CG 3.33Å; D34-L38 PolarHBondContact O-N 3.47Å; E35-L38 PolarHBondContact O-N 3.35Å; L38-R42 WeakPolarHBondContact O-CB 3.13Å; L38-R42 PolarHBondContact O-N 3.48Å |
| 39 | M | 93.1 | Very high | 90.2 | Very high | 59 Ų | 59 | 71.8 Ų | 71.8 | 29% | 0.291 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.8 | -44 | 173 | -77 | -165 | 69.3 | 0 | 0 | 111.5 | I24 I26 I31 E35 L36 V37 R42 V43 | I24-M39 HydrophobicContact CG2-CE 3.83Å; I26-M39 HydrophobicContact CD1-CE 3.4Å; I26-M39 VanDerWaalsContact CD1-CE 3.4Å; I26-M39 HydrophobicContact CD1-SD 3.92Å; I31-M39 HydrophobicContact CD1-SD 3.74Å; E35-M39 WeakPolarHBondContact O-CB 3.47Å; E35-M39 VanDerWaalsContact O-CG 3.28Å; E35-M39 WeakPolarHBondContact O-CG 3.37Å; E35-M39 PolarHBondContact O-N 3.02Å; L36-M39 WeakPolarHBondContact O-CB 3.42Å; L36-M39 PolarHBondContact O-N 3.34Å; V37-M39 VanDerWaalsContact C-N 3.3Å; V37-M39 PolarHBondContact O-N 2.86Å; M39-R42 PolarHBondContact O-N 3.31Å; M39-V43 VanDerWaalsContact O-CB 3.24Å; M39-V43 WeakPolarHBondContact O-CB 3.49Å; M39-V43 WeakPolarHBondContact O-CG2 3.24Å; M39-V43 PolarHBondContact O-N 3.31Å |
| 40 | M | 94 | Very high | 90.5 | Very high | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65 | -45 | 178.2 | -68.1 | -53.9 | 140.1 | 0 | 0 | 112.5 | I13 A15 I24 L36 V37 R42 V43 F44 I56 L86 L88 | I13-M40 HydrophobicContact CD1-CE 4.48Å; I13-M40 HydrophobicContact CG2-CE 3.74Å; A15-M40 HydrophobicContact CB-CE 3.96Å; A15-M40 HydrophobicContact CB-SD 3.43Å; A15-M40 WeakPolarHBondContact CB-SD 3.43Å; I24-M40 HydrophobicContact CD1-CE 3.66Å; I24-M40 HydrophobicContact CD1-SD 4.3Å; L36-M40 HydrophobicContact CD1-CE 3.53Å; L36-M40 HydrophobicContact CG-CE 4.49Å; L36-M40 WeakPolarHBondContact O-CG 3.46Å; L36-M40 PolarHBondContact O-N 3.48Å; V37-M40 PolarHBondContact O-N 2.91Å; V37-M40 VanDerWaalsContact O-N 3.11Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 3.3Å; M40-V43 PolarHBondContact O-N 2.73Å; M40-F44 PolarHBondContact O-N 2.7Å; M40-F44 HydrophobicContact SD-CE2 4.22Å; M40-I56 HydrophobicContact CG-CD1 4.33Å; M40-L86 HydrophobicContact CE-CD1 4.18Å; M40-L88 HydrophobicContact CB-CD1 3.9Å; M40-L88 HydrophobicContact CB-CD2 4.4Å; M40-L88 HydrophobicContact CG-CD1 3.96Å; M40-L88 HydrophobicContact CG-CD2 3.88Å; M40-L88 HydrophobicContact SD-CD1 3.85Å; M40-L88 HydrophobicContact SD-CD2 4.25Å |
| 41 | Q | 92.6 | Very high | 90.4 | Very high | 31 Ų | 31 | 73.6 Ų | 73.6 | 15% | 0.145 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -56.9 | -42 | 173.4 | -71.3 | -177 | -7.7 | 0 | 0 | 111.8 | V37 F44 R45 S50 V54 | V37-Q41 WeakPolarHBondContact O-CG 3.3Å; V37-Q41 PolarHBondContact O-N 3.3Å; Q41-F44 CarbonylContact O-C 3.58Å; Q41-R45 WeakPolarHBondContact O-CA 3.35Å; Q41-R45 PolarHBondContact O-N 3.46Å; Q41-R45 VanDerWaalsContact O-N 3.12Å; Q41-S50 PolarHBondContact NE2-O 3.12Å; Q41-V54 HydrophobicContact CG-CG2 4.47Å |
| 42 | R | 92.1 | Very high | 90.2 | Very high | 211 Ų | 211 | 74.7 Ų | 74.7 | 80% | 0.796 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -71.1 | -41.8 | 177.7 | -170.2 | 180 | -176 | 110.7 | -1.8 | 112.6 | L38 M39 M40 R45 | L38-R42 WeakPolarHBondContact O-CB 3.13Å; L38-R42 PolarHBondContact O-N 3.48Å; M39-R42 PolarHBondContact O-N 3.31Å; M40-R42 VanDerWaalsContact C-N 3.29Å; M40-R42 PolarHBondContact O-N 3.3Å; R42-R45 WeakPolarHBondContact O-CB 3.21Å; R42-R45 PolarHBondContact O-N 2.79Å |
| 43 | V | 92.9 | Very high | 89.9 | Confident | 33 Ų | 33 | 78.1 Ų | 78.1 | 20% | 0.2 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -68.1 | -35.9 | -178 | 164.2 | 0 | 0 | 0 | 0 | 111.5 | R22 I24 M39 M40 | R22-V43 HydrophobicContact CB-CG1 3.95Å; R22-V43 VanDerWaalsContact CD-CG1 3.44Å; R22-V43 HydrophobicContact CG-CG1 4.3Å; R22-V43 PolarHBondContact NH1-O 2.84Å; I24-V43 HydrophobicContact CD1-CB 4.41Å; I24-V43 HydrophobicContact CD1-CG1 4.04Å; I24-V43 HydrophobicContact CD1-CG2 3.89Å; I24-V43 HydrophobicContact CG1-CG1 4.29Å; I24-V43 HydrophobicContact CG1-CG2 4.16Å; M39-V43 VanDerWaalsContact O-CB 3.24Å; M39-V43 WeakPolarHBondContact O-CB 3.49Å; M39-V43 WeakPolarHBondContact O-CG2 3.24Å; M39-V43 PolarHBondContact O-N 3.31Å; M40-V43 PolarHBondContact O-N 2.73Å |
| 44 | F | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 77 Ų | 77 | 0% | 0 | 39% | 0.386 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 30 | 174.9 | -63.5 | -82.7 | 0 | 0 | 0 | 112.9 | A15 L17 D20 R22 M40 Q41 G46 K47 L48 L88 | A15-F44 HydrophobicContact CB-CE2 3.77Å; A15-F44 HydrophobicContact CB-CZ 4.1Å; L17-F44 HydrophobicContact CB-CD1 3.83Å; L17-F44 HydrophobicContact CB-CD2 4.43Å; L17-F44 HydrophobicContact CB-CE1 3.73Å; L17-F44 HydrophobicContact CB-CE2 4.36Å; L17-F44 HydrophobicContact CB-CG 4.18Å; L17-F44 HydrophobicContact CB-CZ 4.01Å; L17-F44 HydrophobicContact CD2-CB 3.76Å; L17-F44 HydrophobicContact CD2-CD1 3.9Å; L17-F44 HydrophobicContact CD2-CG 3.82Å; D20-F44 HydrophobicContact CB-CD1 4.5Å; D20-F44 HydrophobicContact CB-CE1 4.02Å; R22-F44 HydrophobicContact CB-CE1 4.41Å; R22-F44 HydrophobicContact CB-CZ 4.03Å; R22-F44 VanDerWaalsContact CD-CE1 3.45Å; R22-F44 HydrophobicContact CG-CE1 3.73Å; R22-F44 HydrophobicContact CG-CZ 3.87Å; M40-F44 PolarHBondContact O-N 2.7Å; M40-F44 HydrophobicContact SD-CE2 4.22Å; Q41-F44 CarbonylContact O-C 3.58Å; F44-G46 PolarHBondContact O-N 2.83Å; F44-K47 HydrophobicContact CB-CB 4.46Å; F44-K47 WeakPolarHBondContact O-CA 3.22Å; F44-K47 WeakPolarHBondContact O-CB 3.38Å; F44-K47 PolarHBondContact O-N 2.83Å; F44-L48 HydrophobicContact CB-CD1 3.98Å; F44-L48 HydrophobicContact CB-CG 4.03Å; F44-L48 PolarHBondContact O-N 2.8Å; F44-L88 HydrophobicContact CD2-CD1 3.65Å; F44-L88 HydrophobicContact CE2-CD1 3.53Å; F44-L88 HydrophobicContact CZ-CD1 4.47Å |
| 45 | R | 87.1 | Confident | 89.6 | Confident | 222 Ų | 222 | 73.1 Ų | 73.1 | 84% | 0.838 | 37% | 0.367 | S | S | * | . | B | Isolated β-bridge | trans | -51 | 130.7 | 177.5 | -178.4 | -179.6 | 178.2 | -171.4 | -0.5 | 111.1 | Q41 R42 K47 | Q41-R45 WeakPolarHBondContact O-CA 3.35Å; Q41-R45 PolarHBondContact O-N 3.46Å; Q41-R45 VanDerWaalsContact O-N 3.12Å; R42-R45 WeakPolarHBondContact O-CB 3.21Å; R42-R45 PolarHBondContact O-N 2.79Å; R45-K47 VanDerWaalsContact C-N 3.31Å |
| 46 | G | 84.6 | Confident | 89.6 | Confident | 67 Ų | 67 | 69 Ų | 69 | 69% | 0.691 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 88.7 | -10.5 | -176 | 0 | 0 | 0 | 0 | 0 | 114.3 | F44 | F44-G46 PolarHBondContact O-N 2.83Š|
| 47 | K | 84.6 | Confident | 89.6 | Confident | 103 Ų | 103 | 71.8 Ų | 71.8 | 45% | 0.448 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109.4 | -28.9 | 165.8 | -62.2 | -176.4 | 174.8 | -177.1 | 0 | 112.4 | L17 D20 F44 R45 | L17-K47 HydrophobicContact CD2-CB 3.83Å; D20-K47 IonicContact OD2-NZ 2.7Å; D20-K47 PolarHBondContact OD2-NZ 3.37Å; F44-K47 HydrophobicContact CB-CB 4.46Å; F44-K47 WeakPolarHBondContact O-CA 3.22Å; F44-K47 WeakPolarHBondContact O-CB 3.38Å; F44-K47 PolarHBondContact O-N 2.83Å; R45-K47 VanDerWaalsContact C-N 3.31Å |
| 48 | L | 85.5 | Confident | 89.8 | Confident | 6 Ų | 6 | 71.2 Ų | 71.2 | 3% | 0.031 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -109.7 | 141.7 | 167 | -59.9 | 178.9 | 0 | 0 | 0 | 110.1 | L17 F44 D52 V54 L88 V90 | L17-L48 HydrophobicContact CD1-CD2 4.13Å; L17-L48 HydrophobicContact CD2-CD1 4.3Å; L17-L48 HydrophobicContact CD2-CD2 3.81Å; L17-L48 HydrophobicContact CD2-CG 3.78Å; F44-L48 HydrophobicContact CB-CD1 3.98Å; F44-L48 HydrophobicContact CB-CG 4.03Å; F44-L48 PolarHBondContact O-N 2.8Å; L48-D52 WeakPolarHBondContact CA-OD2 3.44Å; L48-V54 HydrophobicContact CD1-CG2 4.11Å; L48-V54 HydrophobicContact CD2-CG2 4.4Å; L48-L88 HydrophobicContact CD1-CD1 4.47Å; L48-V90 HydrophobicContact CD2-CG2 3.42Å; L48-V90 VanDerWaalsContact CD2-CG2 3.42Å |
| 49 | Q | 81.8 | Confident | 89.9 | Confident | 121 Ų | 121 | 69.4 Ų | 69.4 | 57% | 0.565 | 34% | 0.342 | S | S | * | . | trans | -96.6 | 159.9 | 165.6 | -59.2 | -64.8 | -17.3 | 0 | 0 | 110.4 | N51 D52 | Q49-N51 PolarHBondContact O-N 2.89Å; Q49-D52 PolarHBondContact N-OD2 2.82Å; Q49-D52 WeakPolarHBondContact O-CB 3.42Å; Q49-D52 PolarHBondContact O-N 3.31Å | ||
| 50 | S | 82.9 | Confident | 90 | Very high | 94 Ų | 94 | 68.3 Ų | 68.3 | 66% | 0.657 | 34% | 0.338 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.9 | -17.5 | 175.8 | -61.1 | 0 | 0 | 0 | 0 | 114.1 | Q41 | Q41-S50 PolarHBondContact NE2-O 3.12Š|
| 51 | N | 83.3 | Confident | 89.9 | Confident | 160 Ų | 160 | 76.5 Ų | 76.5 | 86% | 0.856 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95.6 | -0.2 | 175 | -56.7 | -51.9 | 0 | 0 | 0 | 113 | Q49 | Q49-N51 PolarHBondContact O-N 2.89Š|
| 52 | D | 86.1 | Confident | 89.9 | Confident | 34 Ų | 34 | 81.2 Ų | 81.2 | 18% | 0.182 | 40% | 0.402 | C | S | . | . | S | Bend | trans | -73.7 | 131.3 | 177.2 | -75.2 | -10.5 | 0 | 0 | 0 | 109.5 | L48 Q49 V54 V90 | L48-D52 WeakPolarHBondContact CA-OD2 3.44Å; Q49-D52 PolarHBondContact N-OD2 2.82Å; Q49-D52 WeakPolarHBondContact O-CB 3.42Å; Q49-D52 PolarHBondContact O-N 3.31Å; D52-V54 PolarHBondContact O-N 3.03Å; D52-V90 HydrophobicContact CB-CG1 3.86Å |
| 53 | E | 88.9 | Confident | 89.9 | Confident | 128 Ų | 128 | 75.4 Ų | 75.4 | 60% | 0.598 | 39% | 0.387 | S | S | * | . | trans | -74.6 | 110.3 | 171.7 | -177.5 | -176.2 | -167.9 | 0 | 0 | 108.7 | V90 N91 | E53-V90 CarbonylContact O-C 3.54Å; E53-V90 WeakPolarHBondContact O-CA 3.33Å; E53-N91 PolarHBondContact N-OD1 3.3Å; E53-N91 VanDerWaalsContact N-OD1 3.07Å; E53-N91 PolarHBondContact O-N 3.37Å | ||
| 54 | V | 90.4 | Very high | 90 | Very high | 13 Ų | 13 | 78.7 Ų | 78.7 | 8% | 0.079 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 113.5 | -178.6 | -177.8 | 0 | 0 | 0 | 0 | 109.7 | Q41 L48 D52 I56 L88 F89 | Q41-V54 HydrophobicContact CG-CG2 4.47Å; L48-V54 HydrophobicContact CD1-CG2 4.11Å; L48-V54 HydrophobicContact CD2-CG2 4.4Å; D52-V54 PolarHBondContact O-N 3.03Å; V54-I56 HydrophobicContact CG1-CG1 4.12Å; V54-L88 HydrophobicContact CG1-CD2 4.24Å; V54-F89 WeakPolarHBondContact CA-O 3.49Å |
| 55 | T | 92.8 | Very high | 90.1 | Very high | 30 Ų | 30 | 82.2 Ų | 82.2 | 18% | 0.184 | 42% | 0.422 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.2 | 126.3 | 168.6 | -42.5 | 0 | 0 | 0 | 0 | 109.1 | T67 F89 | T55-T67 HydrophobicContact CG2-CG2 3.74Å; T55-F89 PolarHBondContact N-O 3.37Å; T55-F89 PolarHBondContact O-N 3.15Å |
| 56 | I | 95.3 | Very high | 90.5 | Very high | 0 Ų | 0 | 74.8 Ų | 74.8 | 0% | 0 | 40% | 0.398 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.8 | 129.2 | -179.7 | -53.7 | -173.8 | 0 | 0 | 0 | 109.2 | Y33 L36 V37 M40 V54 I68 L86 L88 | Y33-I56 HydrophobicContact CE2-CB 4.35Å; Y33-I56 HydrophobicContact CE2-CD1 4.11Å; Y33-I56 HydrophobicContact CE2-CG1 4.35Å; L36-I56 HydrophobicContact CD2-CD1 3.89Å; L36-I56 HydrophobicContact CD2-CG2 4.5Å; L36-I56 HydrophobicContact CG-CD1 3.87Å; V37-I56 HydrophobicContact CG2-CD1 3.87Å; M40-I56 HydrophobicContact CG-CD1 4.33Å; V54-I56 HydrophobicContact CG1-CG1 4.12Å; I56-I68 HydrophobicContact CG2-CD1 4.14Å; I56-I68 PolarHBondContact O-N 3.18Å; I56-L86 HydrophobicContact CG2-CB 4.38Å; I56-L86 HydrophobicContact CG2-CD1 3.99Å; I56-L86 HydrophobicContact CG2-CD2 4.15Å; I56-L86 HydrophobicContact CG2-CG 4.41Å; I56-L88 HydrophobicContact CB-CD2 4.4Å; I56-L88 HydrophobicContact CD1-CD2 4.4Å; I56-L88 HydrophobicContact CG1-CD2 3.88Å; I56-L88 HydrophobicContact CG2-CD2 4.2Å |
| 57 | K | 95.5 | Very high | 91.1 | Very high | 57 Ų | 57 | 72.9 Ų | 72.9 | 25% | 0.248 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 144.3 | 168.1 | -54.6 | -161.2 | 176.9 | -152.7 | 0 | 110.4 | L65 I66 T67 L86 T87 F89 | K57-L65 HydrophobicContact CB-CB 4.45Å; K57-L65 HydrophobicContact CB-CD2 4.4Å; K57-L65 HydrophobicContact CD-CB 4.1Å; K57-I66 CarbonylContact C-O 3.4Å; K57-I66 WeakPolarHBondContact CA-O 3.46Å; K57-I66 VanDerWaalsContact CB-O 3.28Å; K57-I66 WeakPolarHBondContact CB-O 3.17Å; K57-T67 WeakPolarHBondContact CD-OG1 3.34Å; K57-T67 WeakPolarHBondContact CE-OG1 3.24Å; K57-T67 HydrophobicContact CG-CG2 4.28Å; K57-T67 PolarHBondContact NZ-OG1 3.19Å; K57-L86 CarbonylContact O-C 3.53Å; K57-L86 VanDerWaalsContact O-CA 3.24Å; K57-L86 WeakPolarHBondContact O-CA 3.34Å; K57-T87 PolarHBondContact N-O 3.11Å; K57-T87 PolarHBondContact O-N 2.88Å; K57-F89 HydrophobicContact CB-CE2 3.95Å; K57-F89 HydrophobicContact CD-CD2 4.22Å; K57-F89 HydrophobicContact CD-CE2 3.66Å; K57-F89 HydrophobicContact CD-CZ 4.14Å; K57-F89 HydrophobicContact CG-CD2 3.92Å; K57-F89 HydrophobicContact CG-CE2 3.61Å |
| 58 | Y | 96.4 | Very high | 91.7 | Very high | 14 Ų | 14 | 68 Ų | 68 | 6% | 0.055 | 35% | 0.351 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 156 | 167.7 | 75.3 | -83.7 | 0 | 0 | 0 | 110.8 | D60 L65 I66 I68 A77 K85 | Y58-D60 HydrophobicContact CD2-CB 4.24Å; Y58-D60 HydrophobicContact CE2-CB 3.66Å; Y58-L65 WeakPolarHBondContact O-CA 3.47Å; Y58-I66 HydrophobicContact CD1-CB 4Å; Y58-I66 HydrophobicContact CD1-CG2 4.33Å; Y58-I66 HydrophobicContact CE1-CB 3.53Å; Y58-I66 HydrophobicContact CE1-CG1 4.44Å; Y58-I66 HydrophobicContact CE1-CG2 3.52Å; Y58-I66 HydrophobicContact CE2-CB 4.37Å; Y58-I66 PolarHBondContact N-O 3.1Å; Y58-I66 PolarHBondContact O-N 3.13Å; Y58-I68 HydrophobicContact CD1-CD1 3.96Å; Y58-I68 HydrophobicContact CD1-CG1 3.7Å; Y58-I68 HydrophobicContact CE1-CG1 4.34Å; Y58-A77 HydrophobicContact CD1-CB 3.75Å; Y58-A77 HydrophobicContact CD2-CB 4.15Å; Y58-A77 HydrophobicContact CE1-CB 3.72Å; Y58-A77 HydrophobicContact CE2-CB 4.14Å; Y58-A77 HydrophobicContact CG-CB 3.96Å; Y58-K85 CarbonylContact C-O 3.59Å; Y58-K85 VanDerWaalsContact CA-O 3.28Å; Y58-K85 WeakPolarHBondContact CA-O 3.38Å |
| 59 | K | 95.9 | Very high | 92.2 | Very high | 74 Ų | 74 | 74.9 Ų | 74.9 | 32% | 0.322 | 38% | 0.382 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.5 | 121.1 | 169.3 | -155.7 | -178.1 | -165.7 | -154.2 | 0 | 109.3 | D63 D64 L65 K85 | K59-D63 HydrophobicContact CD-CB 4.42Å; K59-D63 VanDerWaalsContact CD-OD1 3.24Å; K59-D63 WeakPolarHBondContact CD-OD1 3.41Å; K59-D63 VanDerWaalsContact CE-CB 3.43Å; K59-D63 WeakPolarHBondContact CE-O 2.94Å; K59-D63 WeakPolarHBondContact CE-OD1 3.29Å; K59-D63 IonicContact NZ-OD1 3.15Å; K59-D63 PolarHBondContact NZ-OD1 3.1Å; K59-D63 IonicContact NZ-OD2 2.96Å; K59-D63 PolarHBondContact NZ-OD2 3.49Å; K59-D64 VanDerWaalsContact CA-O 3.31Å; K59-D64 WeakPolarHBondContact CA-O 3.36Å; K59-L65 HydrophobicContact CB-CD2 4.37Å; K59-K85 HydrophobicContact CB-CB 4.04Å; K59-K85 HydrophobicContact CB-CD 4.21Å; K59-K85 HydrophobicContact CD-CD 4.4Å; K59-K85 PolarHBondContact N-O 2.89Å |
| 60 | D | 94 | Very high | 92.9 | Very high | 36 Ų | 36 | 72.3 Ų | 72.3 | 19% | 0.193 | 37% | 0.372 | C | S | . | . | trans | -87.7 | -158.4 | -176.2 | 67.5 | 9.5 | 0 | 0 | 0 | 113.2 | Y58 D62 D63 D64 I66 | Y58-D60 HydrophobicContact CD2-CB 4.24Å; Y58-D60 HydrophobicContact CE2-CB 3.66Å; D60-D62 PolarHBondContact OD1-N 3.19Å; D60-D62 VanDerWaalsContact OD1-N 3.14Å; D60-D63 PolarHBondContact OD1-N 2.81Å; D60-D63 VanDerWaalsContact OD1-N 3.15Å; D60-D64 PolarHBondContact N-O 2.92Å; D60-D64 VanDerWaalsContact N-O 3.17Å; D60-D64 PolarHBondContact OD1-N 3.31Å; D60-I66 HydrophobicContact CB-CG1 4.19Å; D60-I66 WeakPolarHBondContact OD2-CG1 3.48Å | ||
| 61 | E | 92.4 | Very high | 93.5 | Very high | 172 Ų | 172 | 69.9 Ų | 69.9 | 80% | 0.804 | 36% | 0.355 | S | S | * | . | S | Bend | trans | -78.6 | -30.9 | -179.3 | 64.8 | -170.1 | 100.3 | 0 | 0 | 113.8 | D63 | E61-D63 PolarHBondContact O-N 3.39Š|
| 62 | D | 93.6 | Very high | 94.1 | Very high | 131 Ų | 131 | 65.9 Ų | 65.9 | 70% | 0.701 | 34% | 0.339 | S | S | * | . | S | Bend | trans | -84 | 6.6 | 174.7 | -68.7 | -57.9 | 0 | 0 | 0 | 112.5 | D60 D64 | D60-D62 PolarHBondContact OD1-N 3.19Å; D60-D62 VanDerWaalsContact OD1-N 3.14Å; D62-D64 VanDerWaalsContact C-N 3.25Å; D62-D64 PolarHBondContact O-N 2.82Å |
| 63 | D | 92.2 | Very high | 94.5 | Very high | 88 Ų | 88 | 67.1 Ų | 67.1 | 47% | 0.471 | 35% | 0.346 | S | S | . | . | S | Bend | trans | 66.1 | 21.1 | -177.9 | -96.9 | -21.9 | 0 | 0 | 0 | 114 | K59 D60 E61 K85 | K59-D63 HydrophobicContact CD-CB 4.42Å; K59-D63 VanDerWaalsContact CD-OD1 3.24Å; K59-D63 WeakPolarHBondContact CD-OD1 3.41Å; K59-D63 VanDerWaalsContact CE-CB 3.43Å; K59-D63 WeakPolarHBondContact CE-O 2.94Å; K59-D63 WeakPolarHBondContact CE-OD1 3.29Å; K59-D63 IonicContact NZ-OD1 3.15Å; K59-D63 PolarHBondContact NZ-OD1 3.1Å; K59-D63 IonicContact NZ-OD2 2.96Å; K59-D63 PolarHBondContact NZ-OD2 3.49Å; D60-D63 PolarHBondContact OD1-N 2.81Å; D60-D63 VanDerWaalsContact OD1-N 3.15Å; E61-D63 PolarHBondContact O-N 3.39Å; D63-K85 IonicContact OD1-NZ 3.97Å |
| 64 | D | 94.8 | Very high | 94.9 | Very high | 102 Ų | 102 | 61 Ų | 61 | 55% | 0.545 | 32% | 0.318 | S | S | . | . | trans | -86.1 | 153.2 | 177.9 | -95.8 | -23 | 0 | 0 | 0 | 113 | K59 D60 D62 I66 | K59-D64 VanDerWaalsContact CA-O 3.31Å; K59-D64 WeakPolarHBondContact CA-O 3.36Å; D60-D64 PolarHBondContact N-O 2.92Å; D60-D64 VanDerWaalsContact N-O 3.17Å; D60-D64 PolarHBondContact OD1-N 3.31Å; D62-D64 VanDerWaalsContact C-N 3.25Å; D62-D64 PolarHBondContact O-N 2.82Å; D64-I66 HydrophobicContact CB-CD1 4.21Å; D64-I66 PolarHBondContact O-N 3.11Å | ||
| 65 | L | 94.7 | Very high | 95 | Very high | 75 Ų | 75 | 63.1 Ų | 63.1 | 39% | 0.393 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 82.5 | -179.3 | -76 | 177.5 | 0 | 0 | 0 | 112.1 | K57 Y58 K59 F89 | K57-L65 HydrophobicContact CB-CB 4.45Å; K57-L65 HydrophobicContact CB-CD2 4.4Å; K57-L65 HydrophobicContact CD-CB 4.1Å; Y58-L65 WeakPolarHBondContact O-CA 3.47Å; K59-L65 HydrophobicContact CB-CD2 4.37Å; L65-F89 HydrophobicContact CD1-CZ 4.31Å |
| 66 | I | 95.8 | Very high | 95.1 | Very high | 66 Ų | 66 | 67.3 Ų | 67.3 | 34% | 0.338 | 35% | 0.348 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.2 | 137.1 | 177.5 | -50.2 | -53.7 | 0 | 0 | 0 | 110.3 | K57 Y58 D60 D64 | K57-I66 CarbonylContact C-O 3.4Å; K57-I66 WeakPolarHBondContact CA-O 3.46Å; K57-I66 VanDerWaalsContact CB-O 3.28Å; K57-I66 WeakPolarHBondContact CB-O 3.17Å; Y58-I66 HydrophobicContact CD1-CB 4Å; Y58-I66 HydrophobicContact CD1-CG2 4.33Å; Y58-I66 HydrophobicContact CE1-CB 3.53Å; Y58-I66 HydrophobicContact CE1-CG1 4.44Å; Y58-I66 HydrophobicContact CE1-CG2 3.52Å; Y58-I66 HydrophobicContact CE2-CB 4.37Å; Y58-I66 PolarHBondContact N-O 3.1Å; Y58-I66 PolarHBondContact O-N 3.13Å; D60-I66 HydrophobicContact CB-CG1 4.19Å; D60-I66 WeakPolarHBondContact OD2-CG1 3.48Å; D64-I66 HydrophobicContact CB-CD1 4.21Å; D64-I66 PolarHBondContact O-N 3.11Å |
| 67 | T | 96 | Very high | 95.1 | Very high | 26 Ų | 26 | 67.3 Ų | 67.3 | 16% | 0.16 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 136.2 | -176.3 | -49.7 | 0 | 0 | 0 | 0 | 110.3 | T55 K57 F69 | T55-T67 HydrophobicContact CG2-CG2 3.74Å; K57-T67 WeakPolarHBondContact CD-OG1 3.34Å; K57-T67 WeakPolarHBondContact CE-OG1 3.24Å; K57-T67 HydrophobicContact CG-CG2 4.28Å; K57-T67 PolarHBondContact NZ-OG1 3.19Å; T67-F69 HydrophobicContact CG2-CD1 4.34Å; T67-F69 HydrophobicContact CG2-CD2 4.14Å; T67-F69 HydrophobicContact CG2-CE1 3.87Å; T67-F69 HydrophobicContact CG2-CE2 3.66Å; T67-F69 HydrophobicContact CG2-CG 4.47Å; T67-F69 HydrophobicContact CG2-CZ 3.51Å |
| 68 | I | 96.7 | Very high | 94.9 | Very high | 0 Ų | 0 | 65.2 Ų | 65.2 | 0% | 0 | 34% | 0.34 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 115.8 | 174.6 | -53.2 | -178 | 0 | 0 | 0 | 107.1 | Y33 I56 Y58 D70 D73 L74 A77 L86 | Y33-I68 HydrophobicContact CD2-CB 4.44Å; Y33-I68 HydrophobicContact CD2-CG2 3.55Å; Y33-I68 HydrophobicContact CE2-CB 4.11Å; Y33-I68 HydrophobicContact CE2-CG2 3.71Å; Y33-I68 WeakPolarHBondContact CE2-O 3.47Å; I56-I68 HydrophobicContact CG2-CD1 4.14Å; I56-I68 PolarHBondContact O-N 3.18Å; Y58-I68 HydrophobicContact CD1-CD1 3.96Å; Y58-I68 HydrophobicContact CD1-CG1 3.7Å; Y58-I68 HydrophobicContact CE1-CG1 4.34Å; I68-D70 WeakPolarHBondContact CG2-O 3.46Å; I68-D73 HydrophobicContact CB-CB 4.33Å; I68-D73 HydrophobicContact CG2-CB 3.79Å; I68-L74 HydrophobicContact CD1-CD1 4.16Å; I68-L74 HydrophobicContact CG2-CB 3.88Å; I68-A77 HydrophobicContact CD1-CB 4.38Å; I68-L86 HydrophobicContact CD1-CD2 4.17Å |
| 69 | F | 95.9 | Very high | 94.7 | Very high | 152 Ų | 152 | 71.7 Ų | 71.7 | 67% | 0.667 | 37% | 0.371 | S | S | * | . | trans | -103.5 | -30.4 | 178.1 | -67.7 | -79.4 | 0 | 0 | 0 | 113 | T67 D73 | T67-F69 HydrophobicContact CG2-CD1 4.34Å; T67-F69 HydrophobicContact CG2-CD2 4.14Å; T67-F69 HydrophobicContact CG2-CE1 3.87Å; T67-F69 HydrophobicContact CG2-CE2 3.66Å; T67-F69 HydrophobicContact CG2-CG 4.47Å; T67-F69 HydrophobicContact CG2-CZ 3.51Å; F69-D73 WeakPolarHBondContact CB-OD2 3.42Å; F69-D73 PolarHBondContact N-OD2 2.75Å | ||
| 70 | D | 96.3 | Very high | 94.5 | Very high | 67 Ų | 67 | 71.2 Ų | 71.2 | 36% | 0.358 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -138.6 | -173.8 | -177.7 | 85.2 | -18.7 | 0 | 0 | 0 | 113.1 | I68 S72 D73 L74 | I68-D70 WeakPolarHBondContact CG2-O 3.46Å; D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 VanDerWaalsContact CG-N 3.31Å; D70-S72 VanDerWaalsContact OD1-CA 3.31Å; D70-S72 WeakPolarHBondContact OD1-CA 3.17Å; D70-S72 WeakPolarHBondContact OD1-CB 3.32Å; D70-S72 PolarHBondContact OD1-N 2.7Å; D70-S72 PolarHBondContact OD1-OG 3.49Å; D70-S72 VanDerWaalsContact OD2-CB 3.28Å; D70-S72 WeakPolarHBondContact OD2-CB 3.4Å; D70-S72 PolarHBondContact OD2-OG 2.68Å; D70-D73 PolarHBondContact N-OD2 2.7Å; D70-D73 PolarHBondContact OD1-N 3.37Å; D70-L74 PolarHBondContact O-N 2.79Å |
| 71 | S | 95.7 | Very high | 94.3 | Very high | 42 Ų | 42 | 71.8 Ų | 71.8 | 29% | 0.294 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -76 | -16.6 | 177.2 | -61.2 | 0 | 0 | 0 | 0 | 113.3 | Y33 S75 | Y33-S71 PolarHBondContact N-OG 3.49Å; S71-S75 WeakPolarHBondContact O-CB 3.35Å; S71-S75 PolarHBondContact O-N 2.94Å; S71-S75 PolarHBondContact O-OG 3.01Å |
| 72 | S | 96 | Very high | 94.2 | Very high | 77 Ų | 77 | 68 Ų | 68 | 54% | 0.538 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -72.6 | -49.4 | 175.5 | -41.6 | 0 | 0 | 0 | 0 | 109.9 | D70 L74 S75 F76 | D70-S72 VanDerWaalsContact C-N 3.3Å; D70-S72 VanDerWaalsContact CG-N 3.31Å; D70-S72 VanDerWaalsContact OD1-CA 3.31Å; D70-S72 WeakPolarHBondContact OD1-CA 3.17Å; D70-S72 WeakPolarHBondContact OD1-CB 3.32Å; D70-S72 PolarHBondContact OD1-N 2.7Å; D70-S72 PolarHBondContact OD1-OG 3.49Å; D70-S72 VanDerWaalsContact OD2-CB 3.28Å; D70-S72 WeakPolarHBondContact OD2-CB 3.4Å; D70-S72 PolarHBondContact OD2-OG 2.68Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3.29Å; S72-S75 PolarHBondContact O-N 3.36Å; S72-F76 PolarHBondContact O-N 3.27Å |
| 73 | D | 96.1 | Very high | 94.2 | Very high | 59 Ų | 59 | 64.2 Ų | 64.2 | 32% | 0.316 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -57.3 | -43.3 | 173.3 | -67.2 | -27.1 | 0 | 0 | 0 | 111 | I68 F69 D70 F76 A77 | I68-D73 HydrophobicContact CB-CB 4.33Å; I68-D73 HydrophobicContact CG2-CB 3.79Å; F69-D73 WeakPolarHBondContact CB-OD2 3.42Å; F69-D73 PolarHBondContact N-OD2 2.75Å; D70-D73 PolarHBondContact N-OD2 2.7Å; D70-D73 PolarHBondContact OD1-N 3.37Å; D73-F76 PolarHBondContact O-N 2.81Å; D73-A77 WeakPolarHBondContact O-CB 3.4Å; D73-A77 PolarHBondContact O-N 2.91Å |
| 74 | L | 95.4 | Very high | 94.3 | Very high | 1 Ų | 1 | 60.2 Ų | 60.2 | 1% | 0.005 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63.7 | -45.6 | 177.8 | 178.5 | 54.9 | 0 | 0 | 0 | 111.6 | I31 L36 I68 D70 S72 F76 A77 I78 L84 | I31-L74 WeakPolarHBondContact O-CD2 3.48Å; L36-L74 HydrophobicContact CB-CD2 4.14Å; L36-L74 HydrophobicContact CD2-CD1 3.65Å; L36-L74 HydrophobicContact CD2-CD2 3.9Å; L36-L74 HydrophobicContact CD2-CG 4.42Å; I68-L74 HydrophobicContact CD1-CD1 4.16Å; I68-L74 HydrophobicContact CG2-CB 3.88Å; D70-L74 PolarHBondContact O-N 2.79Å; S72-L74 VanDerWaalsContact C-N 3.29Å; S72-L74 PolarHBondContact O-N 3.29Å; L74-F76 VanDerWaalsContact C-N 3.3Å; L74-F76 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 3.07Å; L74-I78 HydrophobicContact CD1-CD1 4Å; L74-I78 HydrophobicContact CD1-CG1 4.24Å; L74-I78 HydrophobicContact CG-CD1 3.98Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.39Å; L74-I78 PolarHBondContact O-N 3.25Å; L74-L84 HydrophobicContact CD1-CD1 4.32Å |
| 75 | S | 93.9 | Very high | 94.4 | Very high | 57 Ų | 57 | 60 Ų | 60 | 40% | 0.399 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 177.1 | -61 | 0 | 0 | 0 | 0 | 111.5 | S71 S72 I78 Q79 | S71-S75 WeakPolarHBondContact O-CB 3.35Å; S71-S75 PolarHBondContact O-N 2.94Å; S71-S75 PolarHBondContact O-OG 3.01Å; S72-S75 PolarHBondContact O-N 3.36Å; S75-I78 PolarHBondContact O-N 3.45Å; S75-Q79 VanDerWaalsContact O-CG 3.3Å; S75-Q79 WeakPolarHBondContact O-CG 3.21Å; S75-Q79 PolarHBondContact O-N 3.32Å; S75-Q79 VanDerWaalsContact O-N 3.15Å |
| 76 | F | 94.2 | Very high | 94.5 | Very high | 117 Ų | 117 | 56.5 Ų | 56.5 | 51% | 0.513 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -64.5 | -47.6 | 175.3 | -176.1 | -103.3 | 0 | 0 | 0 | 111.8 | S72 D73 L74 I78 Q79 C80 | S72-F76 PolarHBondContact O-N 3.27Å; D73-F76 PolarHBondContact O-N 2.81Å; L74-F76 VanDerWaalsContact C-N 3.3Å; L74-F76 PolarHBondContact O-N 3.29Å; F76-I78 VanDerWaalsContact C-N 3.31Å; F76-I78 PolarHBondContact O-N 3.33Å; F76-Q79 WeakPolarHBondContact O-CA 3.38Å; F76-Q79 WeakPolarHBondContact O-CB 3.37Å; F76-Q79 PolarHBondContact O-N 2.94Å; F76-C80 PolarHBondContact O-N 3.12Å; F76-C80 PolarHBondContact O-SG 3.39Å; F76-C80 VanDerWaalsContact O-SG 3.39Å |
| 77 | A | 94.5 | Very high | 94.5 | Very high | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57 | -43.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Y58 I68 D73 L74 Q79 C80 S81 L84 | Y58-A77 HydrophobicContact CD1-CB 3.75Å; Y58-A77 HydrophobicContact CD2-CB 4.15Å; Y58-A77 HydrophobicContact CE1-CB 3.72Å; Y58-A77 HydrophobicContact CE2-CB 4.14Å; Y58-A77 HydrophobicContact CG-CB 3.96Å; I68-A77 HydrophobicContact CD1-CB 4.38Å; D73-A77 WeakPolarHBondContact O-CB 3.4Å; D73-A77 PolarHBondContact O-N 2.91Å; L74-A77 PolarHBondContact O-N 3.07Å; A77-Q79 VanDerWaalsContact C-N 3.27Å; A77-Q79 PolarHBondContact O-N 3.48Å; A77-C80 WeakPolarHBondContact O-CB 3.43Å; A77-C80 PolarHBondContact O-N 3.29Å; A77-S81 PolarHBondContact O-N 3.32Å; A77-L84 HydrophobicContact CB-CD2 4Å; A77-L84 WeakPolarHBondContact O-CD2 3.46Å |
| 78 | I | 92.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 54 Ų | 54 | 7% | 0.067 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -61.3 | -35 | 176.4 | -67.8 | 166.1 | 0 | 0 | 0 | 111.5 | L11 I31 L74 S75 F76 S81 R82 L84 | L11-I78 HydrophobicContact CD1-CG1 4.15Å; L11-I78 HydrophobicContact CD1-CG2 4.42Å; L11-I78 HydrophobicContact CD2-CD1 3.86Å; L11-I78 HydrophobicContact CD2-CG1 3.99Å; I31-I78 HydrophobicContact CG2-CD1 3.97Å; L74-I78 HydrophobicContact CD1-CD1 4Å; L74-I78 HydrophobicContact CD1-CG1 4.24Å; L74-I78 HydrophobicContact CG-CD1 3.98Å; L74-I78 VanDerWaalsContact O-CG1 3.27Å; L74-I78 WeakPolarHBondContact O-CG1 3.39Å; L74-I78 PolarHBondContact O-N 3.25Å; S75-I78 PolarHBondContact O-N 3.45Å; F76-I78 VanDerWaalsContact C-N 3.31Å; F76-I78 PolarHBondContact O-N 3.33Å; I78-S81 CarbonylContact O-C 3.38Å; I78-R82 WeakPolarHBondContact O-CD 3.28Å; I78-L84 HydrophobicContact CG1-CD1 3.86Å |
| 79 | Q | 91.4 | Very high | 94.1 | Very high | 151 Ų | 151 | 55.6 Ų | 55.6 | 71% | 0.706 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -70.1 | -40.8 | 175.4 | -69.9 | 168.4 | 34.2 | 0 | 0 | 112 | S75 F76 A77 S81 | S75-Q79 VanDerWaalsContact O-CG 3.3Å; S75-Q79 WeakPolarHBondContact O-CG 3.21Å; S75-Q79 PolarHBondContact O-N 3.32Å; S75-Q79 VanDerWaalsContact O-N 3.15Å; F76-Q79 WeakPolarHBondContact O-CA 3.38Å; F76-Q79 WeakPolarHBondContact O-CB 3.37Å; F76-Q79 PolarHBondContact O-N 2.94Å; A77-Q79 VanDerWaalsContact C-N 3.27Å; A77-Q79 PolarHBondContact O-N 3.48Å; Q79-S81 VanDerWaalsContact C-N 3.35Å; Q79-S81 PolarHBondContact O-N 2.78Å |
| 80 | C | 91.1 | Very high | 93.7 | Very high | 64 Ų | 64 | 48.8 Ų | 48.8 | 43% | 0.432 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 173.8 | -62.1 | 0 | 0 | 0 | 0 | 112.1 | F76 A77 | F76-C80 PolarHBondContact O-N 3.12Å; F76-C80 PolarHBondContact O-SG 3.39Å; F76-C80 VanDerWaalsContact O-SG 3.39Å; A77-C80 WeakPolarHBondContact O-CB 3.43Å; A77-C80 PolarHBondContact O-N 3.29Å |
| 81 | S | 89.9 | Confident | 93 | Very high | 48 Ų | 48 | 49.9 Ų | 49.9 | 34% | 0.336 | 27% | 0.266 | S | S | . | . | trans | -153.6 | 129.9 | 179.6 | 179.3 | 0 | 0 | 0 | 0 | 114.1 | A77 I78 Q79 I83 L84 | A77-S81 PolarHBondContact O-N 3.32Å; I78-S81 CarbonylContact O-C 3.38Å; Q79-S81 VanDerWaalsContact C-N 3.35Å; Q79-S81 PolarHBondContact O-N 2.78Å; S81-I83 PolarHBondContact O-N 2.88Å; S81-I83 VanDerWaalsContact OG-C 3.28Å; S81-I83 PolarHBondContact OG-N 2.83Å; S81-I83 PolarHBondContact OG-O 2.87Å; S81-L84 WeakPolarHBondContact O-CD2 3.43Å | ||
| 82 | R | 91 | Very high | 91.5 | Very high | 91 Ų | 91 | 50.6 Ų | 50.6 | 34% | 0.343 | 28% | 0.28 | S | S | . | . | S | Bend | trans | -71.4 | -7.8 | 167.8 | -55.7 | -44.4 | -156.6 | 120.1 | 10.8 | 113.8 | L7 I12 E29 I78 | L7-R82 HydrophobicContact CB-CB 4.42Å; L7-R82 HydrophobicContact CD1-CB 4.39Å; I12-R82 PolarHBondContact N-O 3.19Å; E29-R82 IonicContact OE1-CZ 2.79Å; E29-R82 IonicContact OE1-NH1 2.73Å; E29-R82 PolarHBondContact OE1-NH1 2.83Å; E29-R82 IonicContact OE1-NH2 2.64Å; E29-R82 PolarHBondContact OE1-NH2 3.34Å; I78-R82 WeakPolarHBondContact O-CD 3.28Å |
| 83 | I | 93.3 | Very high | 89.6 | Confident | 52 Ų | 52 | 53.5 Ų | 53.5 | 27% | 0.267 | 29% | 0.285 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.1 | 95.6 | 167.8 | -52.6 | -176.8 | 0 | 0 | 0 | 109.1 | L7 I12 K14 S81 | L7-I83 HydrophobicContact CD1-CD1 3.89Å; L7-I83 HydrophobicContact CD1-CG1 3.78Å; I12-I83 HydrophobicContact CB-CG1 4.36Å; I12-I83 CarbonylContact O-C 3.59Å; I12-I83 VanDerWaalsContact O-CA 3.3Å; I12-I83 WeakPolarHBondContact O-CA 3.26Å; K14-I83 HydrophobicContact CD-CG2 4.21Å; K14-I83 HydrophobicContact CG-CG2 4.42Å; S81-I83 PolarHBondContact O-N 2.88Å; S81-I83 VanDerWaalsContact OG-C 3.28Å; S81-I83 PolarHBondContact OG-N 2.83Å; S81-I83 PolarHBondContact OG-O 2.87Å |
| 84 | L | 94.9 | Very high | 87.6 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 2% | 0.021 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.2 | 123.7 | 176.8 | -65 | -177.3 | 0 | 0 | 0 | 110.7 | L11 I12 K14 L74 A77 I78 S81 L86 | L11-L84 HydrophobicContact CD1-CD1 4.1Å; L11-L84 HydrophobicContact CD1-CG 4.03Å; I12-L84 PolarHBondContact O-N 2.9Å; K14-L84 PolarHBondContact N-O 2.76Å; L74-L84 HydrophobicContact CD1-CD1 4.32Å; A77-L84 HydrophobicContact CB-CD2 4Å; A77-L84 WeakPolarHBondContact O-CD2 3.46Å; I78-L84 HydrophobicContact CG1-CD1 3.86Å; S81-L84 WeakPolarHBondContact O-CD2 3.43Å; L84-L86 HydrophobicContact CB-CD2 4.03Å; L84-L86 HydrophobicContact CB-CG 4.21Å; L84-L86 HydrophobicContact CD1-CD2 4.45Å |
| 85 | K | 96.7 | Very high | 85.8 | Confident | 99 Ų | 99 | 60.3 Ų | 60.3 | 43% | 0.43 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.9 | 104.7 | 165.9 | -59 | 167.9 | -167.3 | 156.1 | 0 | 106.7 | Y58 K59 D63 | Y58-K85 CarbonylContact C-O 3.59Å; Y58-K85 VanDerWaalsContact CA-O 3.28Å; Y58-K85 WeakPolarHBondContact CA-O 3.38Å; K59-K85 HydrophobicContact CB-CB 4.04Å; K59-K85 HydrophobicContact CB-CD 4.21Å; K59-K85 HydrophobicContact CD-CD 4.4Å; K59-K85 PolarHBondContact N-O 2.89Å; D63-K85 IonicContact OD1-NZ 3.97Å |
| 86 | L | 96.6 | Very high | 83.8 | Confident | 1 Ų | 1 | 62.3 Ų | 62.3 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 138.1 | -179.6 | -57.3 | -175.4 | 0 | 0 | 0 | 111.1 | I13 K14 A15 Q16 L36 M40 I56 K57 I68 L84 | I13-L86 HydrophobicContact CD1-CD1 4.48Å; I13-L86 HydrophobicContact CG2-CD1 3.51Å; I13-L86 HydrophobicContact CG2-CG 3.91Å; K14-L86 PolarHBondContact O-N 3.48Å; A15-L86 CarbonylContact C-O 3.48Å; A15-L86 WeakPolarHBondContact CA-O 3.3Å; A15-L86 HydrophobicContact CB-CB 4.48Å; Q16-L86 PolarHBondContact N-O 3.31Å; L36-L86 HydrophobicContact CD1-CD1 4.18Å; L36-L86 HydrophobicContact CD2-CD1 4.13Å; M40-L86 HydrophobicContact CE-CD1 4.18Å; I56-L86 HydrophobicContact CG2-CB 4.38Å; I56-L86 HydrophobicContact CG2-CD1 3.99Å; I56-L86 HydrophobicContact CG2-CD2 4.15Å; I56-L86 HydrophobicContact CG2-CG 4.41Å; K57-L86 CarbonylContact O-C 3.53Å; K57-L86 VanDerWaalsContact O-CA 3.24Å; K57-L86 WeakPolarHBondContact O-CA 3.34Å; I68-L86 HydrophobicContact CD1-CD2 4.17Å; L84-L86 HydrophobicContact CB-CD2 4.03Å; L84-L86 HydrophobicContact CB-CG 4.21Å; L84-L86 HydrophobicContact CD1-CD2 4.45Å |
| 87 | T | 95.3 | Very high | 81.8 | Confident | 30 Ų | 30 | 61.7 Ų | 61.7 | 18% | 0.184 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.3 | 126.2 | 171 | -53.8 | 0 | 0 | 0 | 0 | 108.6 | K57 F89 | K57-T87 PolarHBondContact N-O 3.11Å; K57-T87 PolarHBondContact O-N 2.88Å; T87-F89 HydrophobicContact CG2-CD2 4.36Å; T87-F89 HydrophobicContact CG2-CE2 3.51Å; T87-F89 HydrophobicContact CG2-CZ 3.62Å; T87-F89 WeakPolarHBondContact O-CD2 3.21Å; T87-F89 WeakPolarHBondContact O-CE2 3.47Å |
| 88 | L | 93.8 | Very high | 80 | Confident | 8 Ų | 8 | 64.5 Ų | 64.5 | 4% | 0.042 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101 | 126.8 | -176.7 | -55.1 | -179 | 0 | 0 | 0 | 110.7 | Q16 L17 M40 F44 L48 V54 I56 | Q16-L88 PolarHBondContact O-N 2.85Å; L17-L88 HydrophobicContact CB-CB 4.49Å; L17-L88 HydrophobicContact CB-CD1 4.43Å; L17-L88 HydrophobicContact CD1-CB 3.94Å; M40-L88 HydrophobicContact CB-CD1 3.9Å; M40-L88 HydrophobicContact CB-CD2 4.4Å; M40-L88 HydrophobicContact CG-CD1 3.96Å; M40-L88 HydrophobicContact CG-CD2 3.88Å; M40-L88 HydrophobicContact SD-CD1 3.85Å; M40-L88 HydrophobicContact SD-CD2 4.25Å; F44-L88 HydrophobicContact CD2-CD1 3.65Å; F44-L88 HydrophobicContact CE2-CD1 3.53Å; F44-L88 HydrophobicContact CZ-CD1 4.47Å; L48-L88 HydrophobicContact CD1-CD1 4.47Å; V54-L88 HydrophobicContact CG1-CD2 4.24Å; I56-L88 HydrophobicContact CB-CD2 4.4Å; I56-L88 HydrophobicContact CD1-CD2 4.4Å; I56-L88 HydrophobicContact CG1-CD2 3.88Å; I56-L88 HydrophobicContact CG2-CD2 4.2Å |
| 89 | F | 90.6 | Very high | 78.3 | Confident | 35 Ų | 35 | 65.9 Ų | 65.9 | 15% | 0.154 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.9 | 151.1 | 175.4 | -56.1 | -105.4 | 0 | 0 | 0 | 108.4 | V54 T55 K57 L65 T87 P94 | V54-F89 WeakPolarHBondContact CA-O 3.49Å; T55-F89 PolarHBondContact N-O 3.37Å; T55-F89 PolarHBondContact O-N 3.15Å; K57-F89 HydrophobicContact CB-CE2 3.95Å; K57-F89 HydrophobicContact CD-CD2 4.22Å; K57-F89 HydrophobicContact CD-CE2 3.66Å; K57-F89 HydrophobicContact CD-CZ 4.14Å; K57-F89 HydrophobicContact CG-CD2 3.92Å; K57-F89 HydrophobicContact CG-CE2 3.61Å; L65-F89 HydrophobicContact CD1-CZ 4.31Å; T87-F89 HydrophobicContact CG2-CD2 4.36Å; T87-F89 HydrophobicContact CG2-CE2 3.51Å; T87-F89 HydrophobicContact CG2-CZ 3.62Å; T87-F89 WeakPolarHBondContact O-CD2 3.21Å; T87-F89 WeakPolarHBondContact O-CE2 3.47Å; F89-P94 HydrophobicContact CD1-CB 3.89Å; F89-P94 HydrophobicContact CE1-CB 3.92Å |
| 90 | V | 88.9 | Confident | 77 | Confident | 9 Ų | 9 | 62.4 Ų | 62.4 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130 | 125.4 | -172.9 | -176.3 | 0 | 0 | 0 | 0 | 109.9 | L17 L48 D52 E53 G92 Q93 | L17-V90 HydrophobicContact CD1-CG2 3.96Å; L48-V90 HydrophobicContact CD2-CG2 3.42Å; L48-V90 VanDerWaalsContact CD2-CG2 3.42Å; D52-V90 HydrophobicContact CB-CG1 3.86Å; E53-V90 CarbonylContact O-C 3.54Å; E53-V90 WeakPolarHBondContact O-CA 3.33Å; V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.91Å; V90-Q93 PolarHBondContact N-O 2.94Å; V90-Q93 PolarHBondContact O-N 3.34Å |
| 91 | N | 80.7 | Confident | 75.5 | Confident | 90 Ų | 90 | 66.8 Ų | 66.8 | 48% | 0.481 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 43.3 | -175.6 | -51.3 | -30.6 | 0 | 0 | 0 | 112.2 | E53 Q93 | E53-N91 PolarHBondContact N-OD1 3.3Å; E53-N91 VanDerWaalsContact N-OD1 3.07Å; E53-N91 PolarHBondContact O-N 3.37Å; N91-Q93 PolarHBondContact O-N 2.96Å |
| 92 | G | 64.4 | Low | 74.7 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 59% | 0.588 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 65.6 | -13.3 | -178.4 | 0 | 0 | 0 | 0 | 0 | 116.1 | V90 | V90-G92 VanDerWaalsContact C-N 3.3Å; V90-G92 PolarHBondContact O-N 2.91Å |
| 93 | Q | 55.5 | Low | 74.1 | Confident | 137 Ų | 137 | 67.3 Ų | 67.3 | 64% | 0.64 | 36% | 0.363 | S | S | * | . | B | Isolated β-bridge | trans | -83.2 | 129.6 | 179.3 | -69.7 | -83.7 | -36.4 | 0 | 0 | 109.7 | V90 N91 R95 | V90-Q93 PolarHBondContact N-O 2.94Å; V90-Q93 PolarHBondContact O-N 3.34Å; N91-Q93 PolarHBondContact O-N 2.96Å; Q93-R95 VanDerWaalsContact C-N 3.26Å; Q93-R95 PolarHBondContact O-N 3.18Å |
| 94 | P | 54.9 | Low | 73.4 | Confident | 80 Ų | 80 | 72.1 Ų | 72.1 | 52% | 0.519 | 38% | 0.379 | S | S | . | . | trans | -62.4 | 97.2 | 156.2 | 28 | -31.1 | 0 | 0 | 0 | 107.2 | F89 P96 | F89-P94 HydrophobicContact CD1-CB 3.89Å; F89-P94 HydrophobicContact CE1-CB 3.92Å; P94-P96 WeakPolarHBondContact O-CD 3.42Å | ||
| 95 | R | 57.8 | Low | 72.9 | Confident | 124 Ų | 124 | 76.4 Ų | 76.4 | 47% | 0.468 | 40% | 0.402 | S | S | . | . | trans | -51.5 | 112.8 | 171 | -164.4 | -173.9 | -59.7 | -137.6 | 8.3 | 105.3 | Q93 L97 | Q93-R95 VanDerWaalsContact C-N 3.26Å; Q93-R95 PolarHBondContact O-N 3.18Å; R95-L97 PolarHBondContact O-N 3.49Å; R95-L97 VanDerWaalsContact O-N 3.15Å | ||
| 96 | P | 50.8 | Low | 72.3 | Confident | 98 Ų | 98 | 79 Ų | 79 | 64% | 0.636 | 41% | 0.409 | S | S | * | . | trans | -54 | 129.7 | -165.5 | -31.1 | 36.4 | 0 | 0 | 0 | 109.6 | P94 E98 | P94-P96 WeakPolarHBondContact O-CD 3.42Å; P96-E98 PolarHBondContact O-N 2.96Å | ||
| 97 | L | 53.6 | Low | 71.9 | Confident | 104 Ų | 104 | 86.4 Ų | 86.4 | 55% | 0.545 | 44% | 0.436 | S | S | . | . | trans | -63.2 | 88.7 | 163.6 | -74 | 161.8 | 0 | 0 | 0 | 105.2 | G18 R95 S99 | G18-L97 VanDerWaalsContact C-CD2 3.46Å; G18-L97 WeakPolarHBondContact O-CD2 3.37Å; R95-L97 PolarHBondContact O-N 3.49Å; R95-L97 VanDerWaalsContact O-N 3.15Å; L97-S99 PolarHBondContact O-N 3.48Å | ||
| 98 | E | 55.1 | Low | 71.8 | Confident | 59 Ų | 59 | 91 Ų | 91 | 28% | 0.276 | 46% | 0.456 | S | S | . | . | trans | -65.4 | 70.4 | 168.8 | -80.9 | -93.8 | 153.8 | 0 | 0 | 106.7 | P96 V102 K103 | P96-E98 PolarHBondContact O-N 2.96Å; E98-V102 WeakPolarHBondContact OE1-CG1 3.48Å; E98-K103 HydrophobicContact CB-CG 4.3Å; E98-K103 WeakPolarHBondContact O-CE 3.31Å; E98-K103 PolarHBondContact O-NZ 2.96Å | ||
| 99 | S | 58.4 | Low | 71.8 | Confident | 43 Ų | 43 | 95.5 Ų | 95.5 | 30% | 0.301 | 48% | 0.479 | S | S | . | . | trans | -52.2 | 152.2 | 174.1 | 72 | 0 | 0 | 0 | 0 | 107.7 | L97 Q101 V102 K103 | L97-S99 PolarHBondContact O-N 3.48Å; S99-Q101 CarbonylContact O-C 3.59Å; S99-Q101 PolarHBondContact O-N 3.44Å; S99-V102 PolarHBondContact O-N 2.93Å; S99-K103 PolarHBondContact O-N 2.86Å | ||
| 100 | S | 63.3 | Low | 71.8 | Confident | 77 Ų | 77 | 97.8 Ų | 97.8 | 54% | 0.538 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -51.7 | -30.6 | -179 | -53.6 | 0 | 0 | 0 | 0 | 111.9 | K103 Y104 | S100-K103 PolarHBondContact O-N 3.49Å; S100-Y104 WeakPolarHBondContact O-CD2 3.38Å; S100-Y104 PolarHBondContact O-N 3.38Å |
| 101 | Q | 59.3 | Low | 72.1 | Confident | 156 Ų | 156 | 103.1 Ų | 103.1 | 73% | 0.729 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60 | -45.3 | 172.4 | -59.4 | 173.5 | -0.2 | 0 | 0 | 113.4 | S99 K103 Y104 L105 | S99-Q101 CarbonylContact O-C 3.59Å; S99-Q101 PolarHBondContact O-N 3.44Å; Q101-K103 VanDerWaalsContact C-N 3.33Å; Q101-K103 PolarHBondContact O-N 2.83Å; Q101-Y104 PolarHBondContact O-N 2.98Å; Q101-L105 VanDerWaalsContact O-CB 3.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.31Å; Q101-L105 PolarHBondContact O-N 3.38Å |
| 102 | V | 74.5 | Confident | 72.8 | Confident | 57 Ų | 57 | 103.6 Ų | 103.6 | 35% | 0.345 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.8 | -39.2 | 175.5 | -178.1 | 0 | 0 | 0 | 0 | 110.8 | E98 S99 Y104 L105 R106 | E98-V102 WeakPolarHBondContact OE1-CG1 3.48Å; S99-V102 PolarHBondContact O-N 2.93Å; V102-Y104 PolarHBondContact O-N 3.46Å; V102-L105 PolarHBondContact O-N 2.83Å; V102-R106 WeakPolarHBondContact O-CB 3.3Å; V102-R106 PolarHBondContact O-N 2.88Å |
| 103 | K | 76.7 | Confident | 74.3 | Confident | 93 Ų | 93 | 108.2 Ų | 108.2 | 40% | 0.404 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64 | -39.2 | 175.7 | -63.6 | 171.7 | 178.9 | 128.1 | 0 | 112 | D19 E98 S99 S100 Q101 R107 | D19-K103 IonicContact OD2-NZ 2.7Å; D19-K103 PolarHBondContact OD2-NZ 3.46Å; E98-K103 HydrophobicContact CB-CG 4.3Å; E98-K103 WeakPolarHBondContact O-CE 3.31Å; E98-K103 PolarHBondContact O-NZ 2.96Å; S99-K103 PolarHBondContact O-N 2.86Å; S100-K103 PolarHBondContact O-N 3.49Å; Q101-K103 VanDerWaalsContact C-N 3.33Å; Q101-K103 PolarHBondContact O-N 2.83Å; K103-R107 PolarHBondContact O-N 2.84Å |
| 104 | Y | 80.4 | Confident | 76 | Confident | 154 Ų | 154 | 104.8 Ų | 104.8 | 60% | 0.604 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -68.6 | -49 | 172.6 | -73.1 | -60.7 | 0 | 0 | 0 | 111.9 | S100 Q101 V102 R106 R107 E108 | S100-Y104 WeakPolarHBondContact O-CD2 3.38Å; S100-Y104 PolarHBondContact O-N 3.38Å; Q101-Y104 PolarHBondContact O-N 2.98Å; V102-Y104 PolarHBondContact O-N 3.46Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 3.32Å; Y104-R107 WeakPolarHBondContact O-CA 3.32Å; Y104-R107 WeakPolarHBondContact O-CB 3.49Å; Y104-R107 PolarHBondContact O-N 2.94Å; Y104-E108 PolarHBondContact O-N 3.21Å |
| 105 | L | 83.1 | Confident | 77.9 | Confident | 93 Ų | 93 | 107.8 Ų | 107.8 | 49% | 0.487 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -39.5 | 179.5 | -175.9 | 63.8 | 0 | 0 | 0 | 111.7 | Q101 V102 R107 E108 L109 | Q101-L105 VanDerWaalsContact O-CB 3.29Å; Q101-L105 WeakPolarHBondContact O-CB 3.31Å; Q101-L105 PolarHBondContact O-N 3.38Å; V102-L105 PolarHBondContact O-N 2.83Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 2.94Å; L105-E108 PolarHBondContact O-N 3.2Å; L105-L109 HydrophobicContact CD1-CD1 4.47Å; L105-L109 HydrophobicContact CD1-CG 4.41Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 HydrophobicContact CG-CG 4.44Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.24Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 2.88Å |
| 106 | R | 84 | Confident | 79.7 | Confident | 155 Ų | 155 | 105.2 Ų | 105.2 | 59% | 0.585 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -62.9 | -38.1 | 174.1 | -175.6 | 174.4 | -179.1 | 160.7 | 1.7 | 112.2 | V102 Y104 I110 | V102-R106 WeakPolarHBondContact O-CB 3.3Å; V102-R106 PolarHBondContact O-N 2.88Å; Y104-R106 VanDerWaalsContact C-N 3.3Å; Y104-R106 PolarHBondContact O-N 3.32Å; R106-I110 HydrophobicContact CG-CD1 4.25Å; R106-I110 VanDerWaalsContact O-CD1 3.32Å; R106-I110 WeakPolarHBondContact O-CD1 3.39Å; R106-I110 WeakPolarHBondContact O-CG1 3.35Å; R106-I110 PolarHBondContact O-N 2.77Å; R106-I110 VanDerWaalsContact O-N 3.16Å |
| 107 | R | 88.9 | Confident | 81.5 | Confident | 155 Ų | 155 | 103.5 Ų | 103.5 | 59% | 0.585 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67 | -47.2 | 173.2 | -177.4 | -178.7 | -62.3 | 176.6 | 0.3 | 111 | K103 Y104 L105 L109 I110 E111 | K103-R107 PolarHBondContact O-N 2.84Å; Y104-R107 WeakPolarHBondContact O-CA 3.32Å; Y104-R107 WeakPolarHBondContact O-CB 3.49Å; Y104-R107 PolarHBondContact O-N 2.94Å; L105-R107 VanDerWaalsContact C-N 3.33Å; L105-R107 PolarHBondContact O-N 2.94Å; R107-L109 VanDerWaalsContact C-N 3.34Å; R107-L109 PolarHBondContact O-N 2.87Å; R107-I110 WeakPolarHBondContact O-CB 3.5Å; R107-I110 PolarHBondContact O-N 2.77Å; R107-I110 VanDerWaalsContact O-N 3.11Å; R107-E111 WeakPolarHBondContact CG-OE1 3.24Å; R107-E111 PolarHBondContact O-N 2.84Å |
| 108 | E | 92.2 | Very high | 83.3 | Confident | 128 Ų | 128 | 103.8 Ų | 103.8 | 60% | 0.598 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.8 | -41.9 | 179.5 | -166.3 | -177.7 | 122.4 | 0 | 0 | 111.8 | Y104 L105 I110 E111 L112 | Y104-E108 PolarHBondContact O-N 3.21Å; L105-E108 PolarHBondContact O-N 3.2Å; E108-I110 PolarHBondContact O-N 2.99Å; E108-E111 PolarHBondContact O-N 2.79Å; E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.33Å; E108-L112 PolarHBondContact O-N 3.5Å |
| 109 | L | 94.1 | Very high | 84.9 | Confident | 101 Ų | 101 | 105.7 Ų | 105.7 | 53% | 0.529 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.6 | -34.9 | 174.1 | -72.2 | 170.3 | 0 | 0 | 0 | 112.8 | L105 R107 R113 | L105-L109 HydrophobicContact CD1-CD1 4.47Å; L105-L109 HydrophobicContact CD1-CG 4.41Å; L105-L109 HydrophobicContact CG-CD1 4.07Å; L105-L109 HydrophobicContact CG-CG 4.44Å; L105-L109 WeakPolarHBondContact O-CB 3.4Å; L105-L109 VanDerWaalsContact O-CG 3.24Å; L105-L109 WeakPolarHBondContact O-CG 3.42Å; L105-L109 PolarHBondContact O-N 2.88Å; R107-L109 VanDerWaalsContact C-N 3.34Å; R107-L109 PolarHBondContact O-N 2.87Å; L109-R113 WeakPolarHBondContact O-CB 3.36Å; L109-R113 PolarHBondContact O-N 3.22Å |
| 110 | I | 91.8 | Very high | 86.3 | Confident | 84 Ų | 84 | 108.8 Ų | 108.8 | 43% | 0.431 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.7 | -43.5 | 173 | -71.4 | 163.1 | 0 | 0 | 0 | 110.6 | R106 R107 E108 R113 N114 | R106-I110 HydrophobicContact CG-CD1 4.25Å; R106-I110 VanDerWaalsContact O-CD1 3.32Å; R106-I110 WeakPolarHBondContact O-CD1 3.39Å; R106-I110 WeakPolarHBondContact O-CG1 3.35Å; R106-I110 PolarHBondContact O-N 2.77Å; R106-I110 VanDerWaalsContact O-N 3.16Å; R107-I110 WeakPolarHBondContact O-CB 3.5Å; R107-I110 PolarHBondContact O-N 2.77Å; R107-I110 VanDerWaalsContact O-N 3.11Å; E108-I110 PolarHBondContact O-N 2.99Å; I110-R113 PolarHBondContact O-N 3.42Å; I110-N114 WeakPolarHBondContact O-CB 3.24Å; I110-N114 PolarHBondContact O-N 3.44Å; I110-N114 PolarHBondContact O-ND2 3.46Å; I110-N114 PolarHBondContact O-OD1 3.05Å |
| 111 | E | 94.2 | Very high | 87.3 | Confident | 121 Ų | 121 | 111 Ų | 111 | 57% | 0.565 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.1 | -42.4 | 175.9 | -74.4 | 177.3 | -161.6 | 0 | 0 | 111.6 | R107 E108 N114 K115 | R107-E111 WeakPolarHBondContact CG-OE1 3.24Å; R107-E111 PolarHBondContact O-N 2.84Å; E108-E111 PolarHBondContact O-N 2.79Å; E111-N114 PolarHBondContact O-N 3.34Å; E111-K115 VanDerWaalsContact O-CB 3.29Å; E111-K115 WeakPolarHBondContact O-CB 3.28Å; E111-K115 PolarHBondContact O-N 2.92Å |
| 112 | L | 96.1 | Very high | 88.3 | Confident | 100 Ų | 100 | 107.7 Ų | 107.7 | 52% | 0.524 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.7 | -47.4 | 174.4 | -176 | 66 | 0 | 0 | 0 | 111.3 | E108 N114 K115 V116 | E108-L112 VanDerWaalsContact O-CB 3.3Å; E108-L112 WeakPolarHBondContact O-CB 3.33Å; E108-L112 PolarHBondContact O-N 3.5Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 3.28Å; L112-K115 PolarHBondContact O-N 2.71Å; L112-V116 WeakPolarHBondContact O-CB 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 2.99Å; L112-V116 PolarHBondContact O-N 3.03Å |
| 113 | R | 95.4 | Very high | 88.5 | Confident | 154 Ų | 154 | 111.3 Ų | 111.3 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -57.1 | -45.9 | 174.3 | 178.7 | -132.6 | 178.4 | -138.3 | 3.4 | 111.2 | L109 I110 K115 V116 N117 | L109-R113 WeakPolarHBondContact O-CB 3.36Å; L109-R113 PolarHBondContact O-N 3.22Å; I110-R113 PolarHBondContact O-N 3.42Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 2.85Å; R113-V116 PolarHBondContact O-N 3.35Å; R113-N117 WeakPolarHBondContact O-CB 2.87Å; R113-N117 PolarHBondContact O-N 3.01Å; R113-N117 PolarHBondContact O-OD1 3.13Å |
| 114 | N | 92.2 | Very high | 88.2 | Confident | 64 Ų | 64 | 113.2 Ų | 113.2 | 34% | 0.342 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.7 | -36.1 | 178.5 | -66.5 | -15.4 | 0 | 0 | 0 | 111.5 | I110 E111 L112 N117 N118 | I110-N114 WeakPolarHBondContact O-CB 3.24Å; I110-N114 PolarHBondContact O-N 3.44Å; I110-N114 PolarHBondContact O-ND2 3.46Å; I110-N114 PolarHBondContact O-OD1 3.05Å; E111-N114 PolarHBondContact O-N 3.34Å; L112-N114 VanDerWaalsContact C-N 3.33Å; L112-N114 PolarHBondContact O-N 3.28Å; N114-N117 PolarHBondContact O-N 2.94Å; N114-N118 WeakPolarHBondContact O-CB 3.27Å; N114-N118 PolarHBondContact O-N 2.93Å; N114-N118 PolarHBondContact O-ND2 2.79Å; N114-N118 PolarHBondContact O-OD1 2.64Å |
| 115 | K | 94.1 | Very high | 87.4 | Confident | 143 Ų | 143 | 110.7 Ų | 110.7 | 62% | 0.622 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -69.1 | -39 | 175.4 | -168.4 | 174.1 | -175.6 | 177.7 | 0 | 112.5 | E111 L112 R113 L119 | E111-K115 VanDerWaalsContact O-CB 3.29Å; E111-K115 WeakPolarHBondContact O-CB 3.28Å; E111-K115 PolarHBondContact O-N 2.92Å; L112-K115 PolarHBondContact O-N 2.71Å; R113-K115 VanDerWaalsContact C-N 3.33Å; R113-K115 PolarHBondContact O-N 2.85Å; K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 PolarHBondContact O-N 3.28Å |
| 116 | V | 94.9 | Very high | 86.1 | Confident | 71 Ų | 71 | 112.3 Ų | 112.3 | 43% | 0.43 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.9 | -44.5 | 172.6 | 169 | 0 | 0 | 0 | 0 | 110.5 | L112 R113 L119 L120 | L112-V116 WeakPolarHBondContact O-CB 3.31Å; L112-V116 WeakPolarHBondContact O-CG2 2.99Å; L112-V116 PolarHBondContact O-N 3.03Å; R113-V116 PolarHBondContact O-N 3.35Å; V116-L119 WeakPolarHBondContact O-CB 3.46Å; V116-L119 PolarHBondContact O-N 2.98Å; V116-L119 VanDerWaalsContact O-N 3.15Å; V116-L120 HydrophobicContact CG1-CD1 4.07Å; V116-L120 HydrophobicContact CG1-CG 4.5Å; V116-L120 WeakPolarHBondContact O-CG 3.44Å; V116-L120 PolarHBondContact O-N 2.92Å |
| 117 | N | 90.1 | Very high | 84.5 | Confident | 62 Ų | 62 | 109.7 Ų | 109.7 | 33% | 0.332 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.7 | -43.8 | 175.5 | -73.6 | -2.9 | 0 | 0 | 0 | 111.8 | R113 N114 L119 L120 D121 | R113-N117 WeakPolarHBondContact O-CB 2.87Å; R113-N117 PolarHBondContact O-N 3.01Å; R113-N117 PolarHBondContact O-OD1 3.13Å; N114-N117 PolarHBondContact O-N 2.94Å; N117-L119 VanDerWaalsContact C-N 3.25Å; N117-L119 PolarHBondContact O-N 2.82Å; N117-L120 PolarHBondContact O-N 3.26Å; N117-D121 VanDerWaalsContact O-CB 3.26Å; N117-D121 WeakPolarHBondContact O-CB 3.09Å; N117-D121 PolarHBondContact O-N 3Å |
| 118 | N | 89.6 | Confident | 82.3 | Confident | 109 Ų | 109 | 110.7 Ų | 110.7 | 58% | 0.583 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.7 | -31.9 | 174.2 | -70.3 | -8.3 | 0 | 0 | 0 | 112 | N114 S122 | N114-N118 WeakPolarHBondContact O-CB 3.27Å; N114-N118 PolarHBondContact O-N 2.93Å; N114-N118 PolarHBondContact O-ND2 2.79Å; N114-N118 PolarHBondContact O-OD1 2.64Å; N118-S122 VanDerWaalsContact O-CB 3.3Å; N118-S122 WeakPolarHBondContact O-CB 3.48Å; N118-S122 PolarHBondContact O-N 3.18Å; N118-S122 PolarHBondContact O-OG 3.41Å |
| 119 | L | 89.6 | Confident | 80.2 | Confident | 100 Ų | 100 | 110.1 Ų | 110.1 | 52% | 0.524 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.7 | -45.4 | 172.4 | -116.3 | 69.9 | 0 | 0 | 0 | 111.3 | K115 V116 N117 S122 L123 | K115-L119 WeakPolarHBondContact O-CB 3.33Å; K115-L119 PolarHBondContact O-N 3.28Å; V116-L119 WeakPolarHBondContact O-CB 3.46Å; V116-L119 PolarHBondContact O-N 2.98Å; V116-L119 VanDerWaalsContact O-N 3.15Å; N117-L119 VanDerWaalsContact C-N 3.25Å; N117-L119 PolarHBondContact O-N 2.82Å; L119-S122 WeakPolarHBondContact CA-OG 3.5Å; L119-S122 CarbonylContact O-C 3.55Å; L119-S122 PolarHBondContact O-N 3.02Å; L119-S122 PolarHBondContact O-OG 2.84Å; L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.24Å |
| 120 | L | 86.9 | Confident | 77.6 | Confident | 108 Ų | 108 | 108.2 Ų | 108.2 | 57% | 0.565 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -60.2 | -44.2 | 175.6 | -71.8 | 168 | 0 | 0 | 0 | 111.4 | V116 N117 L123 E124 | V116-L120 HydrophobicContact CG1-CD1 4.07Å; V116-L120 HydrophobicContact CG1-CG 4.5Å; V116-L120 WeakPolarHBondContact O-CG 3.44Å; V116-L120 PolarHBondContact O-N 2.92Å; N117-L120 PolarHBondContact O-N 3.26Å; L120-L123 CarbonylContact O-C 3.53Å; L120-L123 PolarHBondContact O-N 3.01Å; L120-L123 VanDerWaalsContact O-N 3.13Å; L120-E124 PolarHBondContact O-N 3.43Å |
| 121 | D | 84.8 | Confident | 75.3 | Confident | 122 Ų | 122 | 113.5 Ų | 113.5 | 65% | 0.652 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -61.3 | -43.7 | 174.6 | -168.5 | -89.3 | 0 | 0 | 0 | 111.3 | N117 L123 E124 | N117-D121 VanDerWaalsContact O-CB 3.26Å; N117-D121 WeakPolarHBondContact O-CB 3.09Å; N117-D121 PolarHBondContact O-N 3Å; D121-L123 PolarHBondContact O-N 2.91Å; D121-E124 WeakPolarHBondContact O-CB 3.11Å; D121-E124 PolarHBondContact O-N 2.73Å |
| 122 | S | 81.6 | Confident | 72.8 | Confident | 87 Ų | 87 | 113.8 Ų | 113.8 | 61% | 0.608 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -71.2 | -14 | 174.3 | 73.8 | 0 | 0 | 0 | 0 | 115.1 | N118 L119 | N118-S122 VanDerWaalsContact O-CB 3.3Å; N118-S122 WeakPolarHBondContact O-CB 3.48Å; N118-S122 PolarHBondContact O-N 3.18Å; N118-S122 PolarHBondContact O-OG 3.41Å; L119-S122 WeakPolarHBondContact CA-OG 3.5Å; L119-S122 CarbonylContact O-C 3.55Å; L119-S122 PolarHBondContact O-N 3.02Å; L119-S122 PolarHBondContact O-OG 2.84Å |
| 123 | L | 77.6 | Confident | 70.1 | Confident | 133 Ų | 133 | 114.7 Ų | 114.7 | 70% | 0.696 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -100.4 | -9.1 | 174.9 | -70.7 | 169.7 | 0 | 0 | 0 | 111.9 | L119 L120 D121 | L119-L123 WeakPolarHBondContact O-CB 3.46Å; L119-L123 WeakPolarHBondContact O-CG 3.28Å; L119-L123 PolarHBondContact O-N 3.24Å; L120-L123 CarbonylContact O-C 3.53Å; L120-L123 PolarHBondContact O-N 3.01Å; L120-L123 VanDerWaalsContact O-N 3.13Å; D121-L123 PolarHBondContact O-N 2.91Å |
| 124 | E | 71.1 | Confident | 67.1 | Low | 134 Ų | 134 | 114 Ų | 114 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | S | Bend | trans | -70.3 | 119.7 | 166 | -164.7 | 162.9 | 118.9 | 0 | 0 | 107.1 | L120 D121 | L120-E124 PolarHBondContact O-N 3.43Å; D121-E124 WeakPolarHBondContact O-CB 3.11Å; D121-E124 PolarHBondContact O-N 2.73Å |
| 125 | P | 62.5 | Low | 64.5 | Low | 101 Ų | 101 | 115.3 Ų | 115.3 | 66% | 0.656 | 68% | 0.677 | S | S | * | * | P | Polyproline II helix | trans | -61.5 | 148 | 177.3 | 27.1 | -34 | 0 | 0 | 0 | 108.8 | S127 | P125-S127 PolarHBondContact O-N 3.41Š|
| 126 | P | 55.6 | Low | 62.1 | Low | 127 Ų | 127 | 113.4 Ų | 113.4 | 83% | 0.825 | 68% | 0.679 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 117.6 | 176.2 | -23.8 | 32.6 | 0 | 0 | 0 | 109 | E128 | P126-E128 PolarHBondContact O-N 3.3Š|
| 127 | S | 52 | Low | 59.4 | Low | 99 Ų | 99 | 118.7 Ų | 118.7 | 69% | 0.692 | 70% | 0.699 | S | S | * | * | trans | -64.3 | 104.6 | 174 | 5.9 | 0 | 0 | 0 | 0 | 106.3 | P125 P129 | P125-S127 PolarHBondContact O-N 3.41Å; S127-P129 WeakPolarHBondContact O-CD 3.17Å | ||
| 128 | E | 43.3 | Very low | 56.7 | Low | 177 Ų | 177 | 123.3 Ų | 123.3 | 83% | 0.827 | 72% | 0.723 | S | S | * | * | trans | -42 | 116.5 | 175.6 | -84.4 | -92.9 | 93.6 | 0 | 0 | 108.6 | P126 G130 | P126-E128 PolarHBondContact O-N 3.3Å; E128-G130 VanDerWaalsContact C-N 3.35Å; E128-G130 PolarHBondContact O-N 3.2Å | ||
| 129 | P | 46.3 | Very low | 54.4 | Low | 115 Ų | 115 | 127.2 Ų | 127.2 | 75% | 0.747 | 74% | 0.738 | S | S | * | * | trans | -67.1 | 99.7 | -179.8 | 25.6 | -32.1 | 0 | 0 | 0 | 107.9 | S127 M131 | S127-P129 WeakPolarHBondContact O-CD 3.17Å; P129-M131 PolarHBondContact O-N 2.84Å | ||
| 130 | G | 40.7 | Very low | 51.8 | Low | 62 Ų | 62 | 127.2 Ų | 127.2 | 64% | 0.639 | 75% | 0.747 | S | S | * | * | trans | -49.7 | 116.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | E128 T132 | E128-G130 VanDerWaalsContact C-N 3.35Å; E128-G130 PolarHBondContact O-N 3.2Å; G130-T132 PolarHBondContact O-N 3.48Å; G130-T132 VanDerWaalsContact O-N 3.1Å | ||
| 131 | M | 42.3 | Very low | 49.3 | Very low | 194 Ų | 194 | 130 Ų | 130 | 96% | 0.956 | 76% | 0.761 | S | S | * | * | trans | -54.8 | 117.2 | -175.7 | -66.5 | 177.2 | 179 | 0 | 0 | 110.1 | P129 | P129-M131 PolarHBondContact O-N 2.84Š| ||
| 132 | T | 41.6 | Very low | 47 | Very low | 128 Ų | 128 | 132.1 Ų | 132.1 | 79% | 0.785 | 77% | 0.773 | S | S | * | * | trans | -115.7 | 140.1 | 171.6 | 43.1 | 0 | 0 | 0 | 0 | 109.3 | G130 | G130-T132 PolarHBondContact O-N 3.48Å; G130-T132 VanDerWaalsContact O-N 3.1Å | ||
| 133 | S | 39.6 | Very low | 44.7 | Very low | 119 Ų | 119 | 130.9 Ų | 130.9 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 71.2 | 117.2 | -169.8 | -51.6 | 0 | 0 | 0 | 0 | 114 | ||||
| 134 | T | 33 | Very low | 42.7 | Very low | 140 Ų | 140 | 134.8 Ų | 134.8 | 86% | 0.859 | 78% | 0.779 | S | S | * | * | -143.2 | 150.2 | 53.4 | 47 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 135 | A | 37.7 | Very low | 40.8 | Very low | 91 Ų | 91 | 136 Ų | 136 | 75% | 0.752 | 78% | 0.784 | S | S | * | * | trans | -74.2 | -179.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 136 | P | 43.7 | Very low | 39.2 | Very low | 103 Ų | 103 | 134.8 Ų | 134.8 | 67% | 0.669 | 79% | 0.79 | S | S | * | * | cis | -142.2 | -178 | 17.8 | 43.9 | -23.7 | 0 | 0 | 0 | 118.2 | ||||
| 137 | E | 38.5 | Very low | 38.2 | Very low | 182 Ų | 182 | 138 Ų | 138 | 85% | 0.85 | 79% | 0.791 | S | S | * | * | trans | 44.5 | 117.1 | 149.6 | -72 | 168.9 | 93.8 | 0 | 0 | 121 | ||||
| 138 | N | 34 | Very low | 37.2 | Very low | 158 Ų | 158 | 138.3 Ų | 138.3 | 85% | 0.845 | 79% | 0.788 | S | S | * | * | -159.4 | 107.4 | 114.9 | -157.6 | -2 | 0 | 0 | 0 | 111.3 | |||||
| 139 | E | 39.7 | Very low | 36.7 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -111.6 | 101.6 | 174 | -161.7 | -175.3 | 126.4 | 0 | 0 | 108.5 | ||||
| 140 | S | 34.7 | Very low | 35.9 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 70% | 0.699 | 79% | 0.785 | S | S | * | * | trans | -166.4 | 134.9 | 171.9 | -94.3 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 141 | L | 35.7 | Very low | 35.6 | Very low | 167 Ų | 167 | 139.1 Ų | 139.1 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | trans | 78.3 | 86.5 | 155 | -59.6 | 169.9 | 0 | 0 | 0 | 119 | ||||
| 142 | D | 36.1 | Very low | 34.9 | Very low | 166 Ų | 166 | 135.8 Ų | 135.8 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -48.7 | 140.4 | 132.7 | 179.8 | -101.5 | 0 | 0 | 0 | 111 | ||||
| 143 | G | 33 | Very low | 34.8 | Very low | 60 Ų | 60 | 135.4 Ų | 135.4 | 62% | 0.619 | 78% | 0.784 | S | S | * | * | trans | 157 | 83.8 | 172.2 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 144 | R | 35.1 | Very low | 34.5 | Very low | 216 Ų | 216 | 135 Ų | 135 | 82% | 0.815 | 78% | 0.776 | S | S | * | * | trans | 65.4 | 130.4 | 130.1 | -100.5 | -173.3 | 131.5 | 94.3 | 1.9 | 122.8 | ||||
| 145 | E | 32.3 | Very low | 34.7 | Very low | 160 Ų | 160 | 134.1 Ų | 134.1 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | 78.5 | 135.4 | 143.5 | -57.1 | 178.1 | 168.2 | 0 | 0 | 120.9 | ||||
| 146 | G | 29.6 | Very low | 34.8 | Very low | 74 Ų | 74 | 139.7 Ų | 139.7 | 76% | 0.763 | 78% | 0.778 | S | S | * | * | trans | 124.7 | 67.4 | 136.9 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 147 | K | 34.6 | Very low | 34.5 | Very low | 196 Ų | 196 | 144.1 Ų | 144.1 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | 51.2 | 110.5 | 125.4 | -120.3 | -145 | 162.2 | -175 | 0 | 122.4 | |||||
| 148 | V | 30.3 | Very low | 34.2 | Very low | 105 Ų | 105 | 139.9 Ų | 139.9 | 64% | 0.636 | 79% | 0.785 | S | S | * | * | trans | 74.8 | 142.8 | 138.5 | -128.3 | 0 | 0 | 0 | 0 | 125.1 | ||||
| 149 | L | 31.5 | Very low | 34.7 | Very low | 149 Ų | 149 | 137.3 Ų | 137.3 | 78% | 0.78 | 78% | 0.778 | S | S | * | * | trans | 75.9 | 141.6 | 158.8 | -52.2 | 178.2 | 0 | 0 | 0 | 116.8 | ||||
| 150 | T | 29.6 | Very low | 34.9 | Very low | 118 Ų | 118 | 134.5 Ų | 134.5 | 72% | 0.724 | 78% | 0.776 | S | S | * | * | cis | -168.4 | 148.7 | -5.6 | 15.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 151 | A | 34.4 | Very low | 35.2 | Very low | 103 Ų | 103 | 136 Ų | 136 | 85% | 0.851 | 78% | 0.781 | S | S | * | * | trans | 59.4 | 159.2 | 154.9 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 152 | D | 27.6 | Very low | 35.5 | Very low | 125 Ų | 125 | 132.9 Ų | 132.9 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | cis | -158 | 141 | -27 | 174 | -86.5 | 0 | 0 | 0 | 106.4 | T154 | D152-T154 PolarHBondContact OD1-OG1 2.83Š| ||
| 153 | S | 40.2 | Very low | 35.8 | Very low | 119 Ų | 119 | 129.7 Ų | 129.7 | 83% | 0.832 | 77% | 0.769 | S | S | * | * | trans | -171.7 | 75.9 | 156.4 | -85.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 154 | T | 34.3 | Very low | 36.4 | Very low | 110 Ų | 110 | 130.6 Ų | 130.6 | 68% | 0.675 | 77% | 0.771 | S | S | * | * | 42.1 | 99.7 | 121.8 | -58.4 | 0 | 0 | 0 | 0 | 120.2 | D152 | D152-T154 PolarHBondContact OD1-OG1 2.83Š| |||
| 155 | V | 37.1 | Very low | 37.1 | Very low | 123 Ų | 123 | 125.5 Ų | 125.5 | 75% | 0.745 | 77% | 0.769 | S | S | * | * | trans | 68 | 106.9 | 131 | -179.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 156 | K | 38.3 | Very low | 37.8 | Very low | 207 Ų | 207 | 126.5 Ų | 126.5 | 90% | 0.9 | 78% | 0.776 | S | S | * | * | -170.4 | 145.5 | 104.2 | -120.4 | 155.8 | -173.1 | 176.6 | 0 | 113.1 | |||||
| 157 | Q | 37 | Very low | 38.9 | Very low | 197 Ų | 197 | 126.7 Ų | 126.7 | 92% | 0.921 | 77% | 0.765 | S | S | * | * | trans | -119.3 | 136.5 | -173.8 | -173.1 | -177.4 | 25.3 | 0 | 0 | 110.9 | ||||
| 158 | A | 33.7 | Very low | 39.6 | Very low | 92 Ų | 92 | 120.3 Ų | 120.3 | 76% | 0.76 | 75% | 0.749 | S | S | * | * | trans | -153 | 153.6 | 165.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 159 | P | 44.1 | Very low | 40.5 | Very low | 105 Ų | 105 | 125.2 Ų | 125.2 | 68% | 0.682 | 76% | 0.762 | S | S | * | * | trans | -87.7 | 158.3 | -153.2 | 33.8 | -37.4 | 0 | 0 | 0 | 115.5 | V161 | P159-V161 PolarHBondContact O-N 2.82Š| ||
| 160 | P | 44.8 | Very low | 41.7 | Very low | 132 Ų | 132 | 121.1 Ų | 121.1 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -76.4 | 109.5 | 171.3 | 31.4 | -32.5 | 0 | 0 | 0 | 110.7 | ||||
| 161 | V | 40.6 | Very low | 43.2 | Very low | 132 Ų | 132 | 120.8 Ų | 120.8 | 80% | 0.8 | 74% | 0.741 | S | S | * | * | trans | -94.3 | 98.6 | 171.7 | -73.6 | 0 | 0 | 0 | 0 | 111.1 | P159 | P159-V161 PolarHBondContact O-N 2.82Š| ||
| 162 | S | 40.5 | Very low | 44.3 | Very low | 102 Ų | 102 | 123 Ų | 123 | 71% | 0.713 | 74% | 0.737 | S | S | * | * | trans | 25.2 | 113.1 | 152.8 | -55.7 | 0 | 0 | 0 | 0 | 119.4 | A164 | S162-A164 PolarHBondContact O-N 3.46Š| ||
| 163 | A | 42.5 | Very low | 46.1 | Very low | 98 Ų | 98 | 123.6 Ų | 123.6 | 81% | 0.81 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -70.2 | 33.3 | 167.2 | 0 | 0 | 0 | 0 | 0 | 114.4 | S165 | A163-S165 PolarHBondContact O-N 3.19Š|
| 164 | A | 46.2 | Very low | 47 | Very low | 80 Ų | 80 | 121 Ų | 121 | 66% | 0.661 | 71% | 0.711 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.1 | -1.1 | -169.3 | 0 | 0 | 0 | 0 | 0 | 115 | S162 | S162-A164 PolarHBondContact O-N 3.46Š|
| 165 | S | 49.1 | Very low | 48.3 | Very low | 109 Ų | 109 | 121.2 Ų | 121.2 | 76% | 0.762 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.5 | 5.2 | -176.6 | -58.7 | 0 | 0 | 0 | 0 | 115.3 | A163 | A163-S165 PolarHBondContact O-N 3.19Š|
| 166 | M | 48.6 | Very low | 49.5 | Very low | 181 Ų | 181 | 121.7 Ų | 121.7 | 89% | 0.892 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.9 | 6.7 | 172.6 | -61.6 | -152.6 | -63.5 | 0 | 0 | 113.8 | ||
| 167 | S | 51.8 | Low | 50.7 | Low | 77 Ų | 77 | 118.4 Ų | 118.4 | 54% | 0.538 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -112.7 | 15.4 | 176.7 | -170 | 0 | 0 | 0 | 0 | 113.6 | ||
| 168 | A | 50.3 | Low | 52 | Low | 63 Ų | 63 | 113 Ų | 113 | 52% | 0.521 | 67% | 0.67 | S | S | . | * | S | Bend | trans | -100.3 | -5.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 169 | F | 49.1 | Very low | 53.2 | Low | 207 Ų | 207 | 112.3 Ų | 112.3 | 91% | 0.908 | 65% | 0.654 | S | S | * | * | trans | -124.1 | 39.4 | -177.7 | -114.8 | -93.2 | 0 | 0 | 0 | 112.8 | P171 | F169-P171 WeakPolarHBondContact O-CD 3.31Š| ||
| 170 | D | 56.7 | Low | 54.2 | Low | 64 Ų | 64 | 114.4 Ų | 114.4 | 34% | 0.342 | 65% | 0.653 | S | S | . | * | trans | -97.6 | 102.3 | 161.8 | -177.6 | -5.7 | 0 | 0 | 0 | 108.7 | L172 K173 | D170-L172 PolarHBondContact O-N 3.4Å; D170-L172 VanDerWaalsContact O-N 3.1Å; D170-L172 WeakPolarHBondContact OD1-CB 3.25Å; D170-L172 PolarHBondContact OD1-N 3.34Å; D170-L172 VanDerWaalsContact OD1-N 3.09Å; D170-K173 HydrophobicContact CB-CB 4.05Å; D170-K173 PolarHBondContact O-N 3.42Å; D170-K173 VanDerWaalsContact O-N 3.1Å | ||
| 171 | P | 59.7 | Low | 55.1 | Low | 111 Ų | 111 | 113.6 Ų | 113.6 | 72% | 0.721 | 64% | 0.641 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | -8.5 | -176 | 27.8 | -34.8 | 0 | 0 | 0 | 113.8 | F169 | F169-P171 WeakPolarHBondContact O-CD 3.31Š|
| 172 | L | 58.9 | Low | 56.3 | Low | 148 Ų | 148 | 111.5 Ų | 111.5 | 78% | 0.775 | 63% | 0.625 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -14.7 | 175.1 | -64.8 | 168.1 | 0 | 0 | 0 | 113.1 | D170 | D170-L172 PolarHBondContact O-N 3.4Å; D170-L172 VanDerWaalsContact O-N 3.1Å; D170-L172 WeakPolarHBondContact OD1-CB 3.25Å; D170-L172 PolarHBondContact OD1-N 3.34Å; D170-L172 VanDerWaalsContact OD1-N 3.09Å |
| 173 | K | 64.3 | Low | 57.3 | Low | 139 Ų | 139 | 111.2 Ų | 111.2 | 60% | 0.604 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.5 | -17.6 | -169.4 | -139.2 | 173.1 | -174.2 | 178.4 | 0 | 115.3 | D170 | D170-K173 HydrophobicContact CB-CB 4.05Å; D170-K173 PolarHBondContact O-N 3.42Å; D170-K173 VanDerWaalsContact O-N 3.1Å |
| 174 | N | 59.7 | Low | 58.2 | Low | 63 Ų | 63 | 110.1 Ų | 110.1 | 34% | 0.337 | 60% | 0.601 | S | S | . | * | S | Bend | trans | -112 | 14.3 | -178.7 | -61.7 | -41.2 | 0 | 0 | 0 | 113 | D176 E177 V178 | N174-D176 VanDerWaalsContact C-N 3.3Å; N174-D176 PolarHBondContact O-N 3.25Å; N174-E177 PolarHBondContact O-N 2.94Å; N174-V178 WeakPolarHBondContact O-CG2 3.42Å; N174-V178 PolarHBondContact O-N 3.25Å; N174-V178 VanDerWaalsContact O-N 3.12Å |
| 175 | Q | 61.5 | Low | 58.8 | Low | 116 Ų | 116 | 110.4 Ų | 110.4 | 54% | 0.542 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -61.2 | -36.7 | -174.3 | -172.1 | 170.9 | 87.4 | 0 | 0 | 112.5 | V178 N179 | Q175-V178 PolarHBondContact O-N 2.92Å; Q175-N179 WeakPolarHBondContact O-CB 3.18Å; Q175-N179 PolarHBondContact O-N 3.43Å; Q175-N179 PolarHBondContact O-ND2 3.01Å |
| 176 | D | 63 | Low | 59.3 | Low | 133 Ų | 133 | 113.1 Ų | 113.1 | 71% | 0.711 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -67.2 | -40.3 | 177.4 | -64.6 | -81 | 0 | 0 | 0 | 113.6 | N174 K180 | N174-D176 VanDerWaalsContact C-N 3.3Å; N174-D176 PolarHBondContact O-N 3.25Å; D176-K180 WeakPolarHBondContact O-CB 3.48Å; D176-K180 PolarHBondContact O-N 3.42Å |
| 177 | E | 63.1 | Low | 59.5 | Low | 137 Ų | 137 | 107.3 Ų | 107.3 | 64% | 0.64 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -38.6 | 175.6 | -76.9 | -165.1 | 76.1 | 0 | 0 | 111.9 | N174 K180 N181 | N174-E177 PolarHBondContact O-N 2.94Å; E177-K180 PolarHBondContact O-N 2.64Å; E177-N181 PolarHBondContact O-N 2.96Å |
| 178 | V | 63.1 | Low | 59.5 | Low | 83 Ų | 83 | 109.9 Ų | 109.9 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -65.5 | -44.4 | 175.8 | 177.6 | 0 | 0 | 0 | 0 | 110.8 | N174 Q175 K180 N181 I182 | N174-V178 WeakPolarHBondContact O-CG2 3.42Å; N174-V178 PolarHBondContact O-N 3.25Å; N174-V178 VanDerWaalsContact O-N 3.12Å; Q175-V178 PolarHBondContact O-N 2.92Å; V178-K180 PolarHBondContact O-N 3.16Å; V178-N181 PolarHBondContact O-N 3.13Å; V178-I182 HydrophobicContact CG1-CD1 3.87Å; V178-I182 HydrophobicContact CG1-CG1 4.47Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 3.03Å |
| 179 | N | 60.9 | Low | 59.3 | Low | 79 Ų | 79 | 112 Ų | 112 | 42% | 0.422 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -59.8 | -44.4 | 174.4 | -79.5 | -27.8 | 0 | 0 | 0 | 111.7 | Q175 N181 I182 I183 | Q175-N179 WeakPolarHBondContact O-CB 3.18Å; Q175-N179 PolarHBondContact O-N 3.43Å; Q175-N179 PolarHBondContact O-ND2 3.01Å; N179-N181 PolarHBondContact O-N 2.91Å; N179-I182 PolarHBondContact O-N 3.38Å; N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.31Å; N179-I183 WeakPolarHBondContact O-CG1 3.3Å; N179-I183 PolarHBondContact O-N 3.36Å |
| 180 | K | 63.8 | Low | 59.6 | Low | 149 Ų | 149 | 112 Ų | 112 | 65% | 0.648 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -63.6 | -39.7 | 178.3 | -165.7 | -176.7 | -179.7 | -170.9 | 0 | 112.4 | D176 E177 V178 S184 | D176-K180 WeakPolarHBondContact O-CB 3.48Å; D176-K180 PolarHBondContact O-N 3.42Å; E177-K180 PolarHBondContact O-N 2.64Å; V178-K180 PolarHBondContact O-N 3.16Å; K180-S184 WeakPolarHBondContact O-CB 3.38Å; K180-S184 PolarHBondContact O-N 2.99Å; K180-S184 PolarHBondContact O-OG 3.38Å |
| 181 | N | 63.1 | Low | 59.2 | Low | 115 Ų | 115 | 115.7 Ų | 115.7 | 62% | 0.615 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.5 | -35.8 | 175.4 | -87.5 | 6.5 | 0 | 0 | 0 | 112.8 | E177 V178 N179 S184 A185 | E177-N181 PolarHBondContact O-N 2.96Å; V178-N181 PolarHBondContact O-N 3.13Å; N179-N181 PolarHBondContact O-N 2.91Å; N181-S184 PolarHBondContact O-N 3.49Å; N181-A185 WeakPolarHBondContact O-CB 3.21Å; N181-A185 PolarHBondContact O-N 3.02Å |
| 182 | I | 66.9 | Low | 58.3 | Low | 88 Ų | 88 | 119.2 Ų | 119.2 | 45% | 0.451 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -64.9 | -47.9 | 174.7 | -69.7 | 168.1 | 0 | 0 | 0 | 110.7 | V178 N179 S184 A185 F186 | V178-I182 HydrophobicContact CG1-CD1 3.87Å; V178-I182 HydrophobicContact CG1-CG1 4.47Å; V178-I182 VanDerWaalsContact O-CG1 3.31Å; V178-I182 WeakPolarHBondContact O-CG1 3.49Å; V178-I182 PolarHBondContact O-N 3.03Å; N179-I182 PolarHBondContact O-N 3.38Å; I182-S184 VanDerWaalsContact C-N 3.27Å; I182-S184 PolarHBondContact O-N 3.15Å; I182-A185 PolarHBondContact O-N 3.44Å; I182-A185 VanDerWaalsContact O-N 3.13Å; I182-F186 HydrophobicContact CG2-CD2 4.17Å; I182-F186 HydrophobicContact CG2-CE2 4.26Å; I182-F186 WeakPolarHBondContact O-CD2 3.35Å; I182-F186 PolarHBondContact O-N 3.23Å |
| 183 | I | 61.8 | Low | 57.2 | Low | 96 Ų | 96 | 115.7 Ų | 115.7 | 49% | 0.492 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -60.2 | -40 | 178.3 | -67.6 | 162.8 | 0 | 0 | 0 | 110.7 | N179 F186 | N179-I183 WeakPolarHBondContact O-CD1 3.48Å; N179-I183 VanDerWaalsContact O-CG1 3.31Å; N179-I183 WeakPolarHBondContact O-CG1 3.3Å; N179-I183 PolarHBondContact O-N 3.36Å; I183-F186 PolarHBondContact O-N 3.15Å |
| 184 | S | 60.4 | Low | 56.1 | Low | 75 Ų | 75 | 115.5 Ų | 115.5 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -67 | -36.6 | 175.9 | -54.2 | 0 | 0 | 0 | 0 | 112.8 | K180 N181 I182 F186 G187 | K180-S184 WeakPolarHBondContact O-CB 3.38Å; K180-S184 PolarHBondContact O-N 2.99Å; K180-S184 PolarHBondContact O-OG 3.38Å; N181-S184 PolarHBondContact O-N 3.49Å; I182-S184 VanDerWaalsContact C-N 3.27Å; I182-S184 PolarHBondContact O-N 3.15Å; S184-F186 VanDerWaalsContact C-N 3.29Å; S184-F186 PolarHBondContact O-N 3.33Å; S184-G187 PolarHBondContact O-N 2.99Å |
| 185 | A | 59.7 | Low | 54.9 | Low | 85 Ų | 85 | 119.2 Ų | 119.2 | 70% | 0.702 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -69.6 | -22.9 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | N181 I182 | N181-A185 WeakPolarHBondContact O-CB 3.21Å; N181-A185 PolarHBondContact O-N 3.02Å; I182-A185 PolarHBondContact O-N 3.44Å; I182-A185 VanDerWaalsContact O-N 3.13Å |
| 186 | F | 58.1 | Low | 53.9 | Low | 167 Ų | 167 | 117.4 Ų | 117.4 | 73% | 0.732 | 67% | 0.67 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.7 | 3.9 | 172.8 | -80.3 | -79 | 0 | 0 | 0 | 114 | I182 I183 S184 L188 | I182-F186 HydrophobicContact CG2-CD2 4.17Å; I182-F186 HydrophobicContact CG2-CE2 4.26Å; I182-F186 WeakPolarHBondContact O-CD2 3.35Å; I182-F186 PolarHBondContact O-N 3.23Å; I183-F186 PolarHBondContact O-N 3.15Å; S184-F186 VanDerWaalsContact C-N 3.29Å; S184-F186 PolarHBondContact O-N 3.33Å; F186-L188 VanDerWaalsContact C-N 3.29Å; F186-L188 PolarHBondContact O-N 3.49Å |
| 187 | G | 53.9 | Low | 52.7 | Low | 58 Ų | 58 | 117.1 Ų | 117.1 | 60% | 0.598 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 71.1 | 17.5 | 172.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | S184 S189 | S184-G187 PolarHBondContact O-N 2.99Å; G187-S189 PolarHBondContact O-N 3.39Å |
| 188 | L | 50.6 | Low | 51.6 | Low | 131 Ų | 131 | 116.7 Ų | 116.7 | 69% | 0.686 | 68% | 0.684 | S | S | * | * | trans | -90.3 | 80.2 | 178.5 | -62.6 | -178.9 | 0 | 0 | 0 | 110.5 | F186 | F186-L188 VanDerWaalsContact C-N 3.29Å; F186-L188 PolarHBondContact O-N 3.49Å | ||
| 189 | S | 47.6 | Very low | 50.3 | Low | 109 Ų | 109 | 117.3 Ų | 117.3 | 76% | 0.762 | 70% | 0.698 | S | S | * | * | trans | -76.8 | 119.6 | 170.3 | -56.6 | 0 | 0 | 0 | 0 | 110.3 | G187 D191 | G187-S189 PolarHBondContact O-N 3.39Å; S189-D191 PolarHBondContact O-N 2.9Å | ||
| 190 | E | 53.9 | Low | 49 | Very low | 206 Ų | 206 | 118.3 Ų | 118.3 | 96% | 0.963 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -79.4 | 61.7 | 175.3 | -167.7 | 164.2 | 69.1 | 0 | 0 | 111.7 | ||
| 191 | D | 49.3 | Very low | 47.5 | Very low | 141 Ų | 141 | 115.8 Ų | 115.8 | 75% | 0.754 | 72% | 0.724 | S | S | * | * | trans | -145.3 | 90.4 | 163.2 | -163.6 | -88.5 | 0 | 0 | 0 | 110.1 | S189 | S189-D191 PolarHBondContact O-N 2.9Š| ||
| 192 | Q | 39.8 | Very low | 46.1 | Very low | 185 Ų | 185 | 115.8 Ų | 115.8 | 86% | 0.864 | 73% | 0.728 | S | S | * | * | trans | -146.6 | 88 | 168.4 | -163.4 | 100.2 | 100.1 | 0 | 0 | 109.3 | ||||
| 193 | A | 37.7 | Very low | 44.7 | Very low | 74 Ų | 74 | 119.9 Ų | 119.9 | 61% | 0.612 | 75% | 0.746 | S | S | * | * | trans | -60.2 | 146.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | V195 | A193-V195 PolarHBondContact O-N 3.3Š| ||
| 194 | P | 39.6 | Very low | 43.3 | Very low | 135 Ų | 135 | 123.8 Ų | 123.8 | 88% | 0.877 | 76% | 0.762 | S | S | * | * | trans | -73.9 | 113.6 | -173.4 | 29 | -34.5 | 0 | 0 | 0 | 111.8 | ||||
| 195 | V | 35.2 | Very low | 42.2 | Very low | 141 Ų | 141 | 131.9 Ų | 131.9 | 86% | 0.855 | 78% | 0.781 | S | S | * | * | P | Polyproline II helix | trans | -101.4 | 126.6 | 171 | -178.1 | 0 | 0 | 0 | 0 | 109.5 | A193 | A193-V195 PolarHBondContact O-N 3.3Š|
| 196 | A | 40.1 | Very low | 41.3 | Very low | 79 Ų | 79 | 134 Ų | 134 | 65% | 0.653 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 154.1 | -179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | P198 | A196-P198 WeakPolarHBondContact O-CD 3.28Š|
| 197 | P | 38.8 | Very low | 40.2 | Very low | 127 Ų | 127 | 129.5 Ų | 129.5 | 83% | 0.825 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -81.3 | 125.3 | 175.6 | 31.7 | -32.6 | 0 | 0 | 0 | 111.8 | ||
| 198 | P | 40.1 | Very low | 39.7 | Very low | 127 Ų | 127 | 133.2 Ų | 133.2 | 83% | 0.825 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -88.1 | 150 | 163.6 | 34.6 | -31.2 | 0 | 0 | 0 | 111.2 | A196 | A196-P198 WeakPolarHBondContact O-CD 3.28Š|
| 199 | A | 34.5 | Very low | 39.6 | Very low | 96 Ų | 96 | 133 Ų | 133 | 79% | 0.793 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 153.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 200 | A | 34.3 | Very low | 39.2 | Very low | 101 Ų | 101 | 134.6 Ų | 134.6 | 84% | 0.835 | 81% | 0.809 | S | S | * | * | trans | 59.8 | 116.5 | 149.7 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 201 | A | 32.9 | Very low | 38.3 | Very low | 96 Ų | 96 | 129.2 Ų | 129.2 | 79% | 0.793 | 79% | 0.794 | S | S | * | * | trans | 159.9 | 147 | 141.8 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 202 | T | 33.6 | Very low | 37.9 | Very low | 114 Ų | 114 | 130.5 Ų | 130.5 | 70% | 0.699 | 80% | 0.799 | S | S | * | * | cis | -160.7 | 149.6 | -15.8 | -90.3 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 203 | E | 36.3 | Very low | 37.6 | Very low | 174 Ų | 174 | 125.8 Ų | 125.8 | 81% | 0.813 | 79% | 0.792 | S | S | * | * | trans | 12.8 | 135.1 | 162 | -62.2 | 169 | 87 | 0 | 0 | 122 | ||||
| 204 | E | 34.1 | Very low | 37.4 | Very low | 179 Ų | 179 | 128.3 Ų | 128.3 | 84% | 0.836 | 81% | 0.805 | S | S | * | * | -179.5 | 101.9 | 111.8 | -91.5 | -117.5 | 93 | 0 | 0 | 111.8 | |||||
| 205 | R | 36.7 | Very low | 37.2 | Very low | 245 Ų | 245 | 127.2 Ų | 127.2 | 93% | 0.925 | 80% | 0.8 | S | S | * | * | -178.9 | 119.3 | 127.5 | -98.5 | 161.8 | -165.7 | -109.5 | -3.5 | 113 | |||||
| 206 | S | 40.8 | Very low | 37 | Very low | 130 Ų | 130 | 126.6 Ų | 126.6 | 91% | 0.909 | 80% | 0.803 | S | S | * | * | trans | -71.2 | 157.6 | 177.7 | -176.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 207 | G | 35.3 | Very low | 37 | Very low | 72 Ų | 72 | 129 Ų | 129 | 74% | 0.742 | 81% | 0.814 | S | S | * | * | trans | 160.8 | 60.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 208 | T | 42 | Very low | 36.8 | Very low | 135 Ų | 135 | 127.9 Ų | 127.9 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | trans | -104.3 | 149.8 | 156.8 | 47.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 209 | P | 49.9 | Very low | 36.8 | Very low | 126 Ų | 126 | 125.7 Ų | 125.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | -139.9 | 131.8 | 112.7 | 35.6 | -22.7 | 0 | 0 | 0 | 115.2 | |||||
| 210 | D | 37.8 | Very low | 37.2 | Very low | 144 Ų | 144 | 127.2 Ų | 127.2 | 77% | 0.77 | 81% | 0.81 | S | S | * | * | trans | 29.5 | 131.3 | 134.2 | -139 | -114.2 | 0 | 0 | 0 | 123.9 | ||||
| 211 | S | 35.7 | Very low | 37.4 | Very low | 93 Ų | 93 | 131.3 Ų | 131.3 | 65% | 0.65 | 81% | 0.812 | S | S | * | * | trans | 51.3 | 121.2 | 142.4 | -61.5 | 0 | 0 | 0 | 0 | 123 | ||||
| 212 | I | 41.7 | Very low | 38 | Very low | 168 Ų | 168 | 132 Ų | 132 | 86% | 0.862 | 81% | 0.809 | S | S | * | * | -137.5 | 138.9 | 106.3 | 47.1 | 170.5 | 0 | 0 | 0 | 111 | |||||
| 213 | A | 32.3 | Very low | 37.9 | Very low | 86 Ų | 86 | 130.3 Ų | 130.3 | 71% | 0.711 | 81% | 0.813 | S | S | * | * | trans | -85.1 | 153.6 | 172 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 214 | S | 32.9 | Very low | 38.1 | Very low | 126 Ų | 126 | 128.8 Ų | 128.8 | 88% | 0.881 | 82% | 0.816 | S | S | * | * | trans | -149.5 | 112.1 | 156.7 | -81.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 215 | S | 36 | Very low | 39 | Very low | 112 Ų | 112 | 125.6 Ų | 125.6 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -82.2 | 145.3 | -178 | -50.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 216 | S | 31 | Very low | 39.5 | Very low | 129 Ų | 129 | 120 Ų | 120 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -161.5 | 103.6 | 138.7 | -88 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 217 | S | 40 | Very low | 39.6 | Very low | 129 Ų | 129 | 123 Ų | 123 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -116.7 | 117.7 | 161 | -68.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 218 | A | 34.6 | Very low | 40.4 | Very low | 104 Ų | 104 | 125.1 Ų | 125.1 | 86% | 0.86 | 81% | 0.806 | S | S | * | * | trans | -169.3 | 138.1 | 163.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 219 | A | 39.4 | Very low | 40.2 | Very low | 81 Ų | 81 | 126.8 Ų | 126.8 | 67% | 0.669 | 81% | 0.805 | S | S | * | * | cis | -158.6 | 154.5 | -16.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 220 | P | 43.9 | Very low | 40.2 | Very low | 127 Ų | 127 | 126.8 Ų | 126.8 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 133.5 | 172.4 | 29.7 | -33.3 | 0 | 0 | 0 | 111.2 | ||
| 221 | Q | 38.2 | Very low | 40.6 | Very low | 187 Ų | 187 | 124.5 Ų | 124.5 | 87% | 0.874 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 131.3 | 173.6 | -77.1 | -74.5 | -49.3 | 0 | 0 | 111 | ||
| 222 | P | 44.8 | Very low | 40.5 | Very low | 112 Ų | 112 | 131.4 Ų | 131.4 | 73% | 0.727 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -91.4 | 139.7 | 177.2 | 34.3 | -32.7 | 0 | 0 | 0 | 113.4 | ||
| 223 | G | 33.1 | Very low | 40.1 | Very low | 77 Ų | 77 | 129.6 Ų | 129.6 | 79% | 0.794 | 81% | 0.808 | S | S | * | * | trans | 53 | 112.7 | 143.6 | 0 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 224 | V | 40.8 | Very low | 40.1 | Very low | 143 Ų | 143 | 129.1 Ų | 129.1 | 87% | 0.867 | 81% | 0.811 | S | S | * | * | trans | -126.8 | 127.1 | 157.4 | -161.1 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 225 | P | 52.6 | Low | 40.1 | Very low | 111 Ų | 111 | 129.8 Ų | 129.8 | 72% | 0.721 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 157.1 | -176.9 | 32.7 | -35.6 | 0 | 0 | 0 | 113.2 | ||
| 226 | P | 47.7 | Very low | 40.1 | Very low | 128 Ų | 128 | 133.1 Ų | 133.1 | 83% | 0.831 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 144.9 | 176.4 | 31.4 | -34.8 | 0 | 0 | 0 | 112.6 | ||
| 227 | Q | 42.3 | Very low | 40.3 | Very low | 193 Ų | 193 | 136 Ų | 136 | 90% | 0.902 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -98.1 | 139.8 | -178.5 | -165.1 | 176.8 | 4.3 | 0 | 0 | 111.8 | ||
| 228 | P | 51.4 | Low | 40.2 | Very low | 116 Ų | 116 | 133.1 Ų | 133.1 | 75% | 0.753 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -92 | 145.5 | -174.8 | 34.1 | -35.2 | 0 | 0 | 0 | 115.9 | ||
| 229 | Q | 38.5 | Very low | 40.7 | Very low | 170 Ų | 170 | 134.2 Ų | 134.2 | 79% | 0.794 | 80% | 0.801 | S | S | * | * | trans | 17.4 | 151.7 | 157.1 | -60.5 | -161.9 | -17.8 | 0 | 0 | 122.9 | ||||
| 230 | P | 49.9 | Very low | 41.1 | Very low | 127 Ų | 127 | 136.3 Ų | 136.3 | 83% | 0.825 | 81% | 0.808 | S | S | * | * | -130.7 | 162.6 | 93.1 | 38.4 | -31.3 | 0 | 0 | 0 | 114.7 | |||||
| 231 | P | 46.8 | Very low | 40.9 | Very low | 95 Ų | 95 | 135.1 Ų | 135.1 | 62% | 0.617 | 81% | 0.809 | S | S | * | * | trans | -90.3 | 158.7 | -176.3 | 36.1 | -36 | 0 | 0 | 0 | 113.9 | ||||
| 232 | Y | 32 | Very low | 40.9 | Very low | 239 Ų | 239 | 130 Ų | 130 | 94% | 0.937 | 81% | 0.806 | S | S | * | * | trans | -122.5 | 150 | 159.4 | -114.4 | -89.1 | 0 | 0 | 0 | 110.9 | ||||
| 233 | V | 33.3 | Very low | 40.7 | Very low | 130 Ų | 130 | 131.2 Ų | 131.2 | 79% | 0.788 | 81% | 0.811 | S | S | * | * | trans | -121.3 | 147.7 | -163.7 | -74.5 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 234 | G | 32.3 | Very low | 40.7 | Very low | 76 Ų | 76 | 135.4 Ų | 135.4 | 78% | 0.784 | 82% | 0.815 | S | S | * | * | trans | 75.4 | 153.6 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 235 | V | 33.5 | Very low | 40.5 | Very low | 140 Ų | 140 | 132 Ų | 132 | 85% | 0.848 | 81% | 0.809 | S | S | * | * | cis | -150.2 | 155.5 | 0.4 | -144.9 | 0 | 0 | 0 | 0 | 103.1 | ||||
| 236 | Q | 36.4 | Very low | 39.7 | Very low | 182 Ų | 182 | 134.9 Ų | 134.9 | 85% | 0.85 | 81% | 0.813 | S | S | * | * | cis | -168 | 145.4 | 37.7 | -171.1 | 160 | 31.8 | 0 | 0 | 109.3 | ||||
| 237 | Q | 35.3 | Very low | 39.1 | Very low | 189 Ų | 189 | 134.7 Ų | 134.7 | 88% | 0.883 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -78.9 | 142.6 | 179.7 | -67 | 171 | -8.1 | 0 | 0 | 111.3 | ||
| 238 | G | 37.6 | Very low | 38.7 | Very low | 69 Ų | 69 | 135.8 Ų | 135.8 | 71% | 0.711 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 149.9 | 168.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 239 | P | 44.4 | Very low | 37.9 | Very low | 126 Ų | 126 | 137 Ų | 137 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -79.1 | 148.7 | 175.2 | 32.1 | -33.7 | 0 | 0 | 0 | 112 | ||
| 240 | P | 49.1 | Very low | 37.6 | Very low | 126 Ų | 126 | 135.8 Ų | 135.8 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.7 | 164.7 | -178.9 | 34.7 | -36.1 | 0 | 0 | 0 | 113.2 | ||
| 241 | A | 39.7 | Very low | 37 | Very low | 102 Ų | 102 | 138.2 Ų | 138.2 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 135.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||
| 242 | G | 37.9 | Very low | 36.4 | Very low | 78 Ų | 78 | 141 Ų | 141 | 80% | 0.804 | 80% | 0.795 | S | S | * | * | trans | -109.9 | 139.3 | 161.4 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 243 | V | 40 | Very low | 36.5 | Very low | 138 Ų | 138 | 134 Ų | 134 | 84% | 0.836 | 79% | 0.786 | S | S | * | * | trans | -110.7 | 162.4 | 179.5 | -70.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 244 | D | 33 | Very low | 37.1 | Very low | 166 Ų | 166 | 133.9 Ų | 133.9 | 89% | 0.888 | 79% | 0.788 | S | S | * | * | trans | 86.5 | 142.3 | 169.1 | -131.9 | -71.2 | 0 | 0 | 0 | 118.3 | ||||
| 245 | G | 36.8 | Very low | 37.1 | Very low | 71 Ų | 71 | 134.4 Ų | 134.4 | 73% | 0.732 | 79% | 0.794 | S | S | * | * | trans | 136.4 | 69.4 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 246 | Q | 36.3 | Very low | 37.1 | Very low | 172 Ų | 172 | 131.4 Ų | 131.4 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | trans | -68.6 | 145 | 164.9 | -69.1 | -84 | -4.9 | 0 | 0 | 111.8 | ||||
| 247 | V | 34.5 | Very low | 37.3 | Very low | 124 Ų | 124 | 133.7 Ų | 133.7 | 75% | 0.752 | 79% | 0.794 | S | S | * | * | 168.9 | 127 | 118.7 | -82 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 248 | Y | 34.5 | Very low | 38 | Very low | 216 Ų | 216 | 130.2 Ų | 130.2 | 85% | 0.847 | 79% | 0.787 | S | S | * | * | trans | 57.3 | 134.7 | 141 | -75.1 | -73.7 | 0 | 0 | 0 | 127.9 | ||||
| 249 | Q | 33.2 | Very low | 38.5 | Very low | 140 Ų | 140 | 132.8 Ų | 132.8 | 65% | 0.654 | 79% | 0.792 | S | S | * | * | trans | 65.8 | 127.5 | 147.9 | -68.7 | -121.8 | 108.3 | 0 | 0 | 120.2 | ||||
| 250 | Q | 33.1 | Very low | 38.3 | Very low | 145 Ų | 145 | 135.9 Ų | 135.9 | 68% | 0.678 | 80% | 0.795 | S | S | * | * | cis | 84.1 | 105.9 | 45.2 | -178.4 | 177.2 | -33.3 | 0 | 0 | 114.1 | ||||
| 251 | Y | 36.5 | Very low | 37.9 | Very low | 178 Ų | 178 | 139 Ų | 139 | 70% | 0.698 | 80% | 0.799 | S | S | * | * | -171.5 | 153.8 | 126.6 | -120.2 | -102.4 | 0 | 0 | 0 | 114.6 | |||||
| 252 | Q | 34.9 | Very low | 37.9 | Very low | 153 Ų | 153 | 140.3 Ų | 140.3 | 72% | 0.715 | 80% | 0.799 | S | S | * | * | trans | -27.3 | 138.3 | 179.4 | -65.2 | 165.9 | -8.1 | 0 | 0 | 124.6 | ||||
| 253 | A | 34 | Very low | 37.7 | Very low | 92 Ų | 92 | 140.7 Ų | 140.7 | 76% | 0.76 | 80% | 0.803 | S | S | * | * | 60.9 | 174.1 | 122.8 | 0 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 254 | P | 46.9 | Very low | 37.5 | Very low | 128 Ų | 128 | 138.7 Ų | 138.7 | 83% | 0.831 | 80% | 0.8 | S | S | * | * | -130.2 | 156.8 | -64.8 | 38.1 | -24.6 | 0 | 0 | 0 | 114.8 | |||||
| 255 | G | 32.4 | Very low | 38.1 | Very low | 88 Ų | 88 | 136.6 Ų | 136.6 | 91% | 0.907 | 80% | 0.796 | S | S | * | * | trans | 95.9 | 138.3 | 158 | 0 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 256 | G | 33.8 | Very low | 38.6 | Very low | 76 Ų | 76 | 139.1 Ų | 139.1 | 78% | 0.784 | 80% | 0.799 | S | S | * | * | trans | 160.4 | 133.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 257 | Y | 39.5 | Very low | 38.7 | Very low | 230 Ų | 230 | 139.8 Ų | 139.8 | 90% | 0.902 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -69.4 | 155.4 | -177.5 | -74.1 | -103.1 | 0 | 0 | 0 | 113 | ||
| 258 | P | 50.3 | Low | 38.8 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 75% | 0.753 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -73.9 | 138.4 | 177.3 | 30.6 | -34.9 | 0 | 0 | 0 | 112.3 | ||
| 259 | P | 48.3 | Very low | 38.9 | Very low | 124 Ų | 124 | 140.5 Ų | 140.5 | 81% | 0.805 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -78.8 | 149.6 | 170 | 32 | -33.2 | 0 | 0 | 0 | 112 | ||
| 260 | Q | 39.4 | Very low | 39 | Very low | 191 Ų | 191 | 144.1 Ų | 144.1 | 89% | 0.893 | 82% | 0.815 | S | S | * | * | P | Polyproline II helix | trans | -72.5 | 153 | 177.1 | -67.3 | -164.8 | 24.9 | 0 | 0 | 113.1 | ||
| 261 | Q | 41 | Very low | 39 | Very low | 191 Ų | 191 | 143.3 Ų | 143.3 | 89% | 0.893 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 139.5 | 167.2 | -68.2 | -172.1 | -14.4 | 0 | 0 | 111.8 | ||
| 262 | P | 40.5 | Very low | 39.3 | Very low | 130 Ų | 130 | 142.5 Ų | 142.5 | 84% | 0.844 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 140.3 | 163.3 | 35.1 | -28.2 | 0 | 0 | 0 | 111.9 | ||
| 263 | G | 32.8 | Very low | 39.8 | Very low | 86 Ų | 86 | 140.5 Ų | 140.5 | 89% | 0.887 | 82% | 0.824 | S | S | * | * | trans | 141.3 | 89.6 | 159.7 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 264 | A | 37 | Very low | 39.9 | Very low | 95 Ų | 95 | 147 Ų | 147 | 79% | 0.785 | 83% | 0.831 | S | S | * | * | trans | -137 | 141.5 | 157.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 265 | P | 43.7 | Very low | 39.9 | Very low | 122 Ų | 122 | 146.7 Ų | 146.7 | 79% | 0.792 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 153 | -166.5 | 32.8 | -36.3 | 0 | 0 | 0 | 114.1 | ||
| 266 | P | 48.4 | Very low | 40 | Very low | 124 Ų | 124 | 147.8 Ų | 147.8 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -83 | 141.9 | 179 | 33.1 | -34.2 | 0 | 0 | 0 | 113.2 | ||
| 267 | Q | 38.9 | Very low | 40 | Very low | 186 Ų | 186 | 147.4 Ų | 147.4 | 87% | 0.869 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 136.1 | 166.4 | -79.8 | -75 | -6 | 0 | 0 | 110.5 | ||
| 268 | Q | 36.8 | Very low | 39.7 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 78% | 0.78 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -90.2 | 126.7 | 176.7 | -70.1 | -83.7 | 21.8 | 0 | 0 | 110.3 | ||
| 269 | Q | 36.1 | Very low | 39.1 | Very low | 188 Ų | 188 | 148 Ų | 148 | 88% | 0.879 | 83% | 0.832 | S | S | * | * | trans | -108.5 | 115.3 | 165.7 | -82.6 | -172 | -20.1 | 0 | 0 | 110.4 | ||||
| 270 | Y | 35 | Very low | 38.3 | Very low | 217 Ų | 217 | 147.4 Ų | 147.4 | 85% | 0.851 | 83% | 0.83 | S | S | * | * | trans | -80.7 | 131.7 | 174 | -114.7 | -99.5 | 0 | 0 | 0 | 110.5 | ||||
| 271 | T | 33.9 | Very low | 38.2 | Very low | 128 Ų | 128 | 147.3 Ų | 147.3 | 79% | 0.785 | 83% | 0.83 | S | S | * | * | trans | -113.5 | 133.2 | 170.9 | -61 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 272 | M | 42.1 | Very low | 38.3 | Very low | 160 Ų | 160 | 143.8 Ų | 143.8 | 79% | 0.788 | 82% | 0.824 | S | S | * | * | trans | -122.6 | 125.2 | 173.7 | -96 | -72.4 | -166.8 | 0 | 0 | 109.5 | ||||
| 273 | P | 45.4 | Very low | 37.9 | Very low | 111 Ų | 111 | 141.1 Ų | 141.1 | 72% | 0.721 | 82% | 0.82 | S | S | * | * | trans | -95.1 | 142.4 | 175.9 | 35 | -31.2 | 0 | 0 | 0 | 112.7 | ||||
| 274 | Y | 35 | Very low | 38.3 | Very low | 228 Ų | 228 | 141.7 Ų | 141.7 | 89% | 0.894 | 82% | 0.817 | S | S | * | * | trans | -127.4 | 139.2 | 166.7 | -97.3 | -86.2 | 0 | 0 | 0 | 110 | ||||
| 275 | P | 48.8 | Very low | 38.4 | Very low | 123 Ų | 123 | 143.5 Ų | 143.5 | 80% | 0.799 | 82% | 0.82 | S | S | * | * | trans | -109.2 | 124.4 | -179.5 | 36.5 | -28.8 | 0 | 0 | 0 | 114.5 | ||||
| 276 | A | 34.1 | Very low | 38.1 | Very low | 111 Ų | 111 | 146.5 Ų | 146.5 | 92% | 0.917 | 82% | 0.824 | S | S | * | * | trans | 179.4 | 149.9 | 153.5 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 277 | G | 33.3 | Very low | 37.8 | Very low | 67 Ų | 67 | 146.1 Ų | 146.1 | 69% | 0.691 | 82% | 0.821 | S | S | * | * | cis | 157.4 | 90.2 | -0.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 278 | Y | 34.1 | Very low | 37.8 | Very low | 234 Ų | 234 | 140.3 Ų | 140.3 | 92% | 0.918 | 81% | 0.811 | S | S | * | * | trans | 44.8 | 114.4 | 166.8 | -75.9 | -89.1 | 0 | 0 | 0 | 121.2 | ||||
| 279 | S | 35.8 | Very low | 38.3 | Very low | 125 Ų | 125 | 138.5 Ų | 138.5 | 87% | 0.874 | 81% | 0.814 | S | S | * | * | 170.8 | 178.3 | 112.4 | 49.2 | 0 | 0 | 0 | 0 | 111.7 | |||||
| 280 | S | 33.5 | Very low | 38.7 | Very low | 111 Ų | 111 | 135.6 Ų | 135.6 | 78% | 0.776 | 81% | 0.811 | S | S | * | * | trans | -115.8 | 165.8 | -137.6 | -45.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 281 | Q | 36 | Very low | 39 | Very low | 189 Ų | 189 | 134 Ų | 134 | 88% | 0.883 | 81% | 0.811 | S | S | * | * | trans | 86.7 | 154.2 | 156.8 | -85.3 | -163.9 | -105.4 | 0 | 0 | 119.8 | ||||
| 282 | P | 43.1 | Very low | 39.4 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 76% | 0.76 | 82% | 0.815 | S | S | * | * | -129.3 | 158 | -129.9 | 41.1 | -25.7 | 0 | 0 | 0 | 115.9 | |||||
| 283 | G | 32.1 | Very low | 39.3 | Very low | 74 Ų | 74 | 135.9 Ų | 135.9 | 76% | 0.763 | 82% | 0.821 | S | S | * | * | trans | 176.2 | 138.3 | 165.9 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 284 | A | 40.4 | Very low | 39.3 | Very low | 99 Ų | 99 | 139.5 Ų | 139.5 | 82% | 0.818 | 83% | 0.828 | S | S | * | * | trans | 64 | 121.5 | 167.2 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 285 | P | 40.7 | Very low | 39.4 | Very low | 132 Ų | 132 | 136.8 Ų | 136.8 | 86% | 0.857 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -80 | 134.5 | 166.1 | 32.2 | -31.6 | 0 | 0 | 0 | 111.6 | ||
| 286 | Q | 36.9 | Very low | 38.7 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -80.3 | 154.4 | 167.1 | -101 | -153.2 | -66.4 | 0 | 0 | 112 | ||
| 287 | P | 42.8 | Very low | 38.9 | Very low | 116 Ų | 116 | 143.9 Ų | 143.9 | 75% | 0.753 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -79 | 153.1 | -173.8 | 32.6 | -36 | 0 | 0 | 0 | 113.6 | ||
| 288 | G | 38.4 | Very low | 38.8 | Very low | 63 Ų | 63 | 147.9 Ų | 147.9 | 65% | 0.649 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -74.5 | 167.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 289 | P | 47 | Very low | 39 | Very low | 130 Ų | 130 | 147.2 Ų | 147.2 | 84% | 0.844 | 83% | 0.827 | S | S | * | * | P | Polyproline II helix | trans | -70.1 | 139.8 | -177.9 | 28.7 | -34.8 | 0 | 0 | 0 | 112.4 | ||
| 290 | P | 43.9 | Very low | 39.6 | Very low | 127 Ų | 127 | 146.3 Ų | 146.3 | 83% | 0.825 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -81 | 144.6 | -176.4 | 32 | -34.9 | 0 | 0 | 0 | 113.3 | ||
| 291 | Q | 41.2 | Very low | 40.3 | Very low | 182 Ų | 182 | 146.8 Ų | 146.8 | 85% | 0.85 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 149.9 | 165.2 | -72.5 | -169.4 | -31.4 | 0 | 0 | 111.4 | Q293 | Q291-Q293 PolarHBondContact O-N 2.85Š|
| 292 | P | 43.3 | Very low | 40.8 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 86% | 0.857 | 82% | 0.815 | S | S | * | * | trans | -76.5 | 113.8 | 174.5 | 30.3 | -32.7 | 0 | 0 | 0 | 111.2 | ||||
| 293 | Q | 39.8 | Very low | 40.5 | Very low | 196 Ų | 196 | 143.9 Ų | 143.9 | 92% | 0.916 | 82% | 0.819 | S | S | * | * | trans | -95.3 | 132.6 | 174.4 | -132.1 | 172 | -15.5 | 0 | 0 | 110.4 | Q291 | Q291-Q293 PolarHBondContact O-N 2.85Š| ||
| 294 | Q | 45.3 | Very low | 40.8 | Very low | 188 Ų | 188 | 146 Ų | 146 | 88% | 0.879 | 82% | 0.823 | S | S | * | * | trans | -83.3 | 129.1 | 174.7 | -61.9 | 176.5 | 15.9 | 0 | 0 | 110.4 | ||||
| 295 | Q | 37 | Very low | 40.6 | Very low | 171 Ų | 171 | 150.7 Ų | 150.7 | 80% | 0.799 | 83% | 0.827 | S | S | * | * | trans | -161.8 | 132.6 | 156.2 | -112.1 | 172.3 | 24.1 | 0 | 0 | 110.6 | ||||
| 296 | F | 34.3 | Very low | 40.3 | Very low | 220 Ų | 220 | 149.3 Ų | 149.3 | 97% | 0.965 | 83% | 0.827 | S | S | * | * | trans | -127.1 | 113.2 | 161.3 | -106.7 | -88.6 | 0 | 0 | 0 | 106.9 | ||||
| 297 | Q | 37.9 | Very low | 40.8 | Very low | 162 Ų | 162 | 146.5 Ų | 146.5 | 76% | 0.757 | 83% | 0.825 | S | S | * | * | trans | -108.3 | 137.6 | 177.6 | -162.9 | 86.5 | 56.2 | 0 | 0 | 109.2 | ||||
| 298 | N | 31.6 | Very low | 40.3 | Very low | 151 Ų | 151 | 144.3 Ų | 144.3 | 81% | 0.807 | 82% | 0.824 | S | S | * | * | trans | -81.2 | 138.4 | -171 | -159 | 47.8 | 0 | 0 | 0 | 112.2 | ||||
| 299 | Y | 38.5 | Very low | 40.8 | Very low | 220 Ų | 220 | 148.1 Ų | 148.1 | 86% | 0.863 | 84% | 0.837 | S | S | * | * | trans | -112.6 | 131.6 | 175.6 | -96.5 | -84.1 | 0 | 0 | 0 | 112 | ||||
| 300 | P | 48.3 | Very low | 40.1 | Very low | 107 Ų | 107 | 145.4 Ų | 145.4 | 70% | 0.695 | 83% | 0.833 | S | S | * | * | trans | -104.2 | 163.6 | 156.6 | 32.4 | -21.9 | 0 | 0 | 0 | 112.4 | ||||
| 301 | P | 48.5 | Very low | 39.7 | Very low | 120 Ų | 120 | 145.3 Ų | 145.3 | 78% | 0.779 | 84% | 0.835 | S | S | * | * | trans | -95.5 | 163 | -160.7 | 37.4 | -37.2 | 0 | 0 | 0 | 115.3 | ||||
| 302 | P | 46.8 | Very low | 39.4 | Very low | 126 Ų | 126 | 141.1 Ų | 141.1 | 82% | 0.818 | 83% | 0.831 | S | S | * | * | trans | -84.4 | 143.2 | 172.1 | 34.3 | -33.2 | 0 | 0 | 0 | 112.6 | ||||
| 303 | S | 36.9 | Very low | 40.3 | Very low | 120 Ų | 120 | 140.2 Ų | 140.2 | 84% | 0.839 | 83% | 0.826 | S | S | * | * | trans | -105.4 | 136.1 | 169.3 | 47.7 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 304 | S | 38.3 | Very low | 40.1 | Very low | 119 Ų | 119 | 138 Ų | 138 | 83% | 0.832 | 83% | 0.825 | S | S | * | * | trans | -108.3 | 125.6 | 177.6 | -61.3 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 305 | Q | 35.5 | Very low | 40.1 | Very low | 196 Ų | 196 | 135 Ų | 135 | 92% | 0.916 | 82% | 0.822 | S | S | * | * | trans | -134.1 | 145.2 | 162.6 | -73 | -171.1 | 10.2 | 0 | 0 | 109.7 | ||||
| 306 | A | 34.7 | Very low | 39.7 | Very low | 103 Ų | 103 | 129.5 Ų | 129.5 | 85% | 0.851 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -94.9 | 151.5 | -176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||
| 307 | P | 46.6 | Very low | 39.6 | Very low | 127 Ų | 127 | 128.3 Ų | 128.3 | 83% | 0.825 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -101.5 | 145.9 | 174.2 | 35.4 | -29.8 | 0 | 0 | 0 | 113.8 | ||
| 308 | G | 31.6 | Very low | 39.5 | Very low | 71 Ų | 71 | 127.5 Ų | 127.5 | 73% | 0.732 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -93.3 | 170.9 | 163.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 309 | P | 49.9 | Very low | 39.4 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 93% | 0.929 | 80% | 0.804 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 154.6 | -162.6 | 36.7 | -35.5 | 0 | 0 | 0 | 115.4 | ||
| 310 | G | 32.7 | Very low | 39.1 | Very low | 73 Ų | 73 | 119.8 Ų | 119.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -162.3 | 105.4 | 175.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 311 | S | 35 | Very low | 38.4 | Very low | 125 Ų | 125 | 123.4 Ų | 123.4 | 87% | 0.874 | 81% | 0.807 | S | S | * | * | trans | -8.5 | 147.6 | 164.6 | 51.1 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 312 | A | 34.1 | Very low | 37.8 | Very low | 93 Ų | 93 | 125.9 Ų | 125.9 | 77% | 0.769 | 81% | 0.808 | S | S | * | * | trans | -107.5 | -153.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 313 | P | 62.7 | Low | 37.4 | Very low | 114 Ų | 114 | 126.5 Ų | 126.5 | 74% | 0.74 | 80% | 0.8 | S | S | * | * | -129.4 | 179.2 | -96.4 | 41.3 | -25.1 | 0 | 0 | 0 | 114.7 | |||||
| 314 | T | 36.4 | Very low | 37.6 | Very low | 148 Ų | 148 | 128 Ų | 128 | 91% | 0.908 | 79% | 0.794 | S | S | * | * | trans | -171.8 | 163.3 | 149.3 | 17.7 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 315 | P | 45.4 | Very low | 37.7 | Very low | 125 Ų | 125 | 129.7 Ų | 129.7 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -134.2 | 175.2 | -147.1 | 44.3 | -29.8 | 0 | 0 | 0 | 117.9 | ||||
| 316 | G | 28.5 | Very low | 38 | Very low | 57 Ų | 57 | 127.9 Ų | 127.9 | 59% | 0.588 | 78% | 0.78 | S | S | * | * | trans | 136.6 | 128.7 | 137.1 | 0 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 317 | F | 32.5 | Very low | 38.3 | Very low | 195 Ų | 195 | 130.1 Ų | 130.1 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | trans | 63.8 | 144.5 | 132.8 | -69.6 | -74.1 | 0 | 0 | 0 | 120.1 | ||||
| 318 | Q | 34.4 | Very low | 38.1 | Very low | 145 Ų | 145 | 133.2 Ų | 133.2 | 68% | 0.678 | 78% | 0.776 | S | S | * | * | cis | -168.7 | 156 | 1.9 | -156.8 | 163.4 | -44.3 | 0 | 0 | 112.4 | ||||
| 319 | T | 29.1 | Very low | 38.6 | Very low | 134 Ų | 134 | 137.4 Ų | 137.4 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | 59.4 | 148.4 | 156.5 | 36.1 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 320 | G | 33.6 | Very low | 38.1 | Very low | 74 Ų | 74 | 137.5 Ų | 137.5 | 76% | 0.763 | 77% | 0.765 | S | S | * | * | cis | 152.1 | 167.1 | 0.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 321 | Q | 34 | Very low | 38.2 | Very low | 183 Ų | 183 | 142.4 Ų | 142.4 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | cis | -175.8 | 124.3 | -17 | -178.5 | -135.3 | 113.3 | 0 | 0 | 110.3 | ||||
| 322 | Q | 34.4 | Very low | 38.3 | Very low | 172 Ų | 172 | 145.1 Ų | 145.1 | 80% | 0.804 | 77% | 0.767 | S | S | * | * | trans | -173.3 | 148.1 | 167.3 | -106.7 | 174.3 | 40 | 0 | 0 | 110.7 | ||||
| 323 | Q | 39.8 | Very low | 39.1 | Very low | 140 Ų | 140 | 145.4 Ų | 145.4 | 65% | 0.654 | 76% | 0.761 | S | S | * | * | cis | -163.1 | 139.7 | -4.4 | -149.9 | 173.7 | 57.3 | 0 | 0 | 110.6 | ||||
| 324 | Q | 40.6 | Very low | 38.6 | Very low | 152 Ų | 152 | 145 Ų | 145 | 71% | 0.71 | 76% | 0.758 | S | S | * | * | trans | 46.2 | 152.1 | 150.3 | -67.8 | 178.7 | 26 | 0 | 0 | 122 | ||||
| 325 | Q | 40.7 | Very low | 39 | Very low | 154 Ų | 154 | 146.6 Ų | 146.6 | 72% | 0.72 | 76% | 0.755 | S | S | * | * | cis | -155.7 | 171.5 | 5.6 | -129.4 | 179.8 | 83.5 | 0 | 0 | 112.5 | ||||
| 326 | Q | 41.8 | Very low | 38.7 | Very low | 157 Ų | 157 | 148.5 Ų | 148.5 | 73% | 0.734 | 75% | 0.753 | S | S | * | * | trans | -41.4 | 167.9 | 174.7 | -69.9 | 175.9 | 55.8 | 0 | 0 | 118.9 | ||||
| 327 | Q | 41.5 | Very low | 39.7 | Very low | 151 Ų | 151 | 150 Ų | 150 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | cis | -179.4 | 122.2 | -19.8 | 178.2 | -169.9 | 125 | 0 | 0 | 109.5 | ||||
| 328 | Q | 41.1 | Very low | 39.9 | Very low | 191 Ų | 191 | 149.5 Ų | 149.5 | 89% | 0.893 | 75% | 0.753 | S | S | * | * | trans | -170 | 148 | 139.7 | -112.8 | 171.2 | 91.4 | 0 | 0 | 111.8 | ||||
| 329 | Q | 41.8 | Very low | 39.8 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 74% | 0.743 | 76% | 0.759 | S | S | * | * | trans | -87 | 165 | -174.2 | -59.4 | 176.1 | 15.7 | 0 | 0 | 109.9 | ||||
| 330 | Q | 39.7 | Very low | 39.9 | Very low | 145 Ų | 145 | 144.5 Ų | 144.5 | 68% | 0.678 | 76% | 0.758 | S | S | * | * | cis | -163.2 | 142.8 | 36 | -153.9 | 168.2 | 80.8 | 0 | 0 | 113.3 | ||||
| 331 | Q | 35.6 | Very low | 39.9 | Very low | 176 Ų | 176 | 150.4 Ų | 150.4 | 82% | 0.822 | 77% | 0.766 | S | S | * | * | trans | 68.1 | 105.6 | 160.9 | -72.6 | 170.6 | 112.7 | 0 | 0 | 120.4 | ||||
| 332 | Q | 37.6 | Very low | 39.8 | Very low | 182 Ų | 182 | 149.3 Ų | 149.3 | 85% | 0.85 | 76% | 0.76 | S | S | * | * | trans | -92.7 | -172.5 | 172.4 | -103.6 | -167.1 | 8.5 | 0 | 0 | 111.1 | ||||
| 333 | P | 50.7 | Low | 39.6 | Very low | 100 Ų | 100 | 150.9 Ų | 150.9 | 65% | 0.649 | 76% | 0.76 | S | S | * | * | cis | -142.6 | -147.3 | -35.2 | 38.4 | -17 | 0 | 0 | 0 | 111.5 | ||||
| 334 | P | 52.1 | Low | 39.7 | Very low | 104 Ų | 104 | 149.4 Ų | 149.4 | 68% | 0.675 | 76% | 0.763 | S | S | * | * | -119 | 152 | -60.2 | 30.2 | -11 | 0 | 0 | 0 | 111.6 | |||||
| 335 | H | 44.2 | Very low | 39.5 | Very low | 182 Ų | 182 | 148.7 Ų | 148.7 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | 44.8 | 140.8 | 70.6 | -58 | -81 | 0 | 0 | 0 | 115.6 | |||||
| 336 | Q | 39 | Very low | 39.2 | Very low | 166 Ų | 166 | 145 Ų | 145 | 78% | 0.776 | 77% | 0.774 | S | S | * | * | 178.6 | -174.3 | 62.5 | -112.2 | -156.8 | -11.3 | 0 | 0 | 108.9 | |||||
| 337 | P | 50 | Low | 38.8 | Very low | 89 Ų | 89 | 141.6 Ų | 141.6 | 58% | 0.578 | 77% | 0.773 | S | S | * | * | cis | -137.4 | 174.5 | -26.2 | 33.6 | -13.8 | 0 | 0 | 0 | 115.7 | ||||
| 338 | Q | 35.3 | Very low | 38.6 | Very low | 183 Ų | 183 | 144.2 Ų | 144.2 | 86% | 0.855 | 78% | 0.783 | S | S | * | * | trans | 39.8 | 144.7 | 140.6 | -63.1 | 159.5 | -8.6 | 0 | 0 | 121.1 | ||||
| 339 | G | 32.9 | Very low | 38.7 | Very low | 79 Ų | 79 | 140.3 Ų | 140.3 | 81% | 0.814 | 77% | 0.774 | S | S | * | * | cis | 176 | -165.6 | 7.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 340 | A | 32.2 | Very low | 38.5 | Very low | 96 Ų | 96 | 138.7 Ų | 138.7 | 79% | 0.793 | 78% | 0.777 | S | S | * | * | cis | -168.8 | 175.6 | -12.2 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 341 | Q | 32.7 | Very low | 38.2 | Very low | 198 Ų | 198 | 140 Ų | 140 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | 75.3 | 160.5 | 164.8 | -72.4 | -175.9 | -26 | 0 | 0 | 121.8 | ||||
| 342 | Q | 32.4 | Very low | 38.1 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | trans | -136.7 | 171.9 | -153.3 | -71.2 | -179.8 | -21.3 | 0 | 0 | 114.8 | ||||
| 343 | Y | 30.5 | Very low | 37.9 | Very low | 205 Ų | 205 | 139.4 Ų | 139.4 | 80% | 0.804 | 78% | 0.778 | S | S | * | * | trans | 85.5 | 156.5 | 167.1 | -62.4 | -82.1 | 0 | 0 | 0 | 117.6 | ||||
| 344 | P | 41.2 | Very low | 37.2 | Very low | 108 Ų | 108 | 139.9 Ų | 139.9 | 70% | 0.701 | 78% | 0.779 | S | S | * | * | -131.1 | 157.8 | -66.9 | 36.4 | -19.9 | 0 | 0 | 0 | 113.5 | |||||
| 345 | P | 37.4 | Very low | 36.4 | Very low | 138 Ų | 138 | 140.7 Ų | 140.7 | 90% | 0.896 | 79% | 0.787 | S | S | * | * | trans | -92.2 | 125.2 | 177.9 | 33.6 | -30.8 | 0 | 0 | 0 | 113.4 | ||||
| 346 | G | 32.6 | Very low | 36 | Very low | 75 Ų | 75 | 140.3 Ų | 140.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -94 | 152.6 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 347 | A | 34.2 | Very low | 36 | Very low | 87 Ų | 87 | 136 Ų | 136 | 72% | 0.719 | 79% | 0.786 | S | S | * | * | trans | -34.2 | 143.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 348 | F | 36.5 | Very low | 35.4 | Very low | 206 Ų | 206 | 137.6 Ų | 137.6 | 90% | 0.904 | 80% | 0.799 | S | S | * | * | -166.5 | 160.5 | 121.5 | -90.4 | -61.1 | 0 | 0 | 0 | 109.6 | |||||
| 349 | P | 45 | Very low | 35.6 | Very low | 108 Ų | 108 | 137.5 Ų | 137.5 | 70% | 0.701 | 80% | 0.799 | S | S | * | * | P | Polyproline II helix | trans | -92.1 | 159.9 | -152.9 | 35.4 | -39.5 | 0 | 0 | 0 | 116.2 | ||
| 350 | P | 37.7 | Very low | 36.1 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 123.8 | 167.7 | 32 | -31.9 | 0 | 0 | 0 | 111.3 | ||
| 351 | Q | 33.4 | Very low | 36.3 | Very low | 171 Ų | 171 | 139.9 Ų | 139.9 | 80% | 0.799 | 80% | 0.801 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 133.5 | 162.8 | -92.8 | -151.8 | -16.1 | 0 | 0 | 110.8 | ||
| 352 | N | 32.6 | Very low | 36.2 | Very low | 141 Ų | 141 | 137.9 Ų | 137.9 | 75% | 0.754 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 126.6 | 178.3 | -147.5 | -76.6 | 0 | 0 | 0 | 108.5 | ||
| 353 | Y | 33.9 | Very low | 36.5 | Very low | 205 Ų | 205 | 140.7 Ų | 140.7 | 80% | 0.804 | 80% | 0.802 | S | S | * | * | trans | -131.5 | 115.4 | 157.7 | -91.1 | -75 | 0 | 0 | 0 | 110.1 | ||||
| 354 | T | 35.7 | Very low | 36.7 | Very low | 111 Ų | 111 | 136.3 Ų | 136.3 | 68% | 0.681 | 80% | 0.801 | S | S | * | * | trans | -81 | 137.4 | 178.9 | -176.3 | 0 | 0 | 0 | 0 | 110.8 | Q356 | T354-Q356 PolarHBondContact O-N 3.17Š| ||
| 355 | S | 36.1 | Very low | 36.7 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 85% | 0.846 | 81% | 0.809 | S | S | * | * | trans | -88.6 | 100.6 | 171.6 | -54.6 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 356 | Q | 34.8 | Very low | 37 | Very low | 174 Ų | 174 | 138.6 Ų | 138.6 | 81% | 0.813 | 80% | 0.803 | S | S | * | * | trans | -84 | 132.5 | 162.4 | -84.8 | -155 | 16 | 0 | 0 | 110.4 | T354 | T354-Q356 PolarHBondContact O-N 3.17Š| ||
| 357 | G | 39.9 | Very low | 37.6 | Very low | 75 Ų | 75 | 141.1 Ų | 141.1 | 77% | 0.773 | 81% | 0.805 | S | S | * | * | trans | -88.8 | 145 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 358 | S | 36.5 | Very low | 38.1 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 86% | 0.86 | 81% | 0.808 | S | S | * | * | trans | -118.5 | 134.8 | 175.7 | -68.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 359 | Q | 39.4 | Very low | 38.1 | Very low | 180 Ų | 180 | 138.5 Ų | 138.5 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -69 | 163.8 | 179 | -73.3 | -94.9 | -6.5 | 0 | 0 | 112.5 | ||
| 360 | P | 44.3 | Very low | 37.7 | Very low | 118 Ų | 118 | 142 Ų | 142 | 77% | 0.766 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 139.1 | -179.5 | 30.4 | -35.1 | 0 | 0 | 0 | 112.5 | ||
| 361 | A | 35.8 | Very low | 38.3 | Very low | 107 Ų | 107 | 142 Ų | 142 | 88% | 0.884 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 134.1 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 362 | N | 30.6 | Very low | 38.2 | Very low | 156 Ų | 156 | 137.8 Ų | 137.8 | 83% | 0.834 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 155.3 | -171.8 | -166.2 | 6.9 | 0 | 0 | 0 | 112.5 | ||
| 363 | Y | 38.7 | Very low | 38.4 | Very low | 219 Ų | 219 | 137.2 Ų | 137.2 | 86% | 0.859 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -68.8 | 135.1 | 174.3 | -113.9 | -101.2 | 0 | 0 | 0 | 111.1 | ||
| 364 | S | 34.6 | Very low | 38.4 | Very low | 113 Ų | 113 | 131.1 Ų | 131.1 | 79% | 0.79 | 82% | 0.823 | S | S | * | * | trans | -149.1 | 131.3 | 163 | 60.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 365 | M | 42 | Very low | 38.4 | Very low | 178 Ų | 178 | 136.1 Ų | 136.1 | 88% | 0.877 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -95.3 | 149.4 | 174.9 | -69.2 | -151.9 | -95.4 | 0 | 0 | 111.3 | ||
| 366 | P | 42 | Very low | 38.5 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -91.6 | 162.9 | 159.3 | 35.4 | -29.9 | 0 | 0 | 0 | 112.1 | ||
| 367 | P | 47.1 | Very low | 39.1 | Very low | 128 Ų | 128 | 137 Ų | 137 | 83% | 0.831 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -95 | 172.9 | -157.6 | 37.2 | -38 | 0 | 0 | 0 | 116.7 | ||
| 368 | S | 44.5 | Very low | 38.7 | Very low | 111 Ų | 111 | 145 Ų | 145 | 78% | 0.776 | 84% | 0.844 | S | S | * | * | P | Polyproline II helix | trans | -67 | 146 | -178 | 53.5 | 0 | 0 | 0 | 0 | 116.9 | ||
| 369 | S | 35.4 | Very low | 38.9 | Very low | 126 Ų | 126 | 145 Ų | 145 | 88% | 0.881 | 84% | 0.842 | S | S | * | * | trans | -162.4 | 137.7 | 142.8 | -76.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 370 | Q | 36.8 | Very low | 38.6 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 86% | 0.855 | 84% | 0.835 | S | S | * | * | trans | -85.8 | -172.4 | 172.6 | -71.4 | -176.7 | -34 | 0 | 0 | 111.3 | ||||
| 371 | P | 50.3 | Low | 38.2 | Very low | 124 Ų | 124 | 144.3 Ų | 144.3 | 81% | 0.805 | 84% | 0.843 | S | S | * | * | -121.1 | 158.4 | -54.4 | 33.2 | -19.9 | 0 | 0 | 0 | 111.2 | |||||
| 372 | G | 31.2 | Very low | 38.7 | Very low | 83 Ų | 83 | 145.4 Ų | 145.4 | 86% | 0.856 | 84% | 0.839 | S | S | * | * | trans | -155.3 | 127.7 | -178 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 373 | S | 37.1 | Very low | 39.4 | Very low | 129 Ų | 129 | 143.5 Ų | 143.5 | 90% | 0.902 | 84% | 0.835 | S | S | * | * | trans | -81.8 | 144.2 | 178.8 | 50.1 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 374 | G | 34.4 | Very low | 39.6 | Very low | 77 Ų | 77 | 138.9 Ų | 138.9 | 79% | 0.794 | 83% | 0.832 | S | S | * | * | trans | 137.5 | 102.5 | 157.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 375 | F | 34.3 | Very low | 39.9 | Very low | 217 Ų | 217 | 139.9 Ų | 139.9 | 95% | 0.952 | 84% | 0.836 | S | S | * | * | trans | -83 | 124.2 | 162.1 | -91 | -95.5 | 0 | 0 | 0 | 109.7 | ||||
| 376 | Q | 38 | Very low | 39.6 | Very low | 190 Ų | 190 | 134.7 Ų | 134.7 | 89% | 0.888 | 83% | 0.828 | S | S | * | * | trans | -119 | 122.8 | 159 | -80.7 | -173.8 | -94.7 | 0 | 0 | 109.2 | ||||
| 377 | P | 47.7 | Very low | 39.2 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 81% | 0.805 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -79.3 | 143.6 | 174.4 | 31.3 | -32.7 | 0 | 0 | 0 | 111.8 | ||
| 378 | R | 32.7 | Very low | 38.8 | Very low | 242 Ų | 242 | 134.8 Ų | 134.8 | 91% | 0.913 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -78.7 | 132.1 | 177.1 | -178.3 | -178.3 | 177.7 | -146.8 | 1.5 | 110.4 | ||
| 379 | P | 40.4 | Very low | 38.7 | Very low | 124 Ų | 124 | 135.6 Ų | 135.6 | 81% | 0.805 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -85.4 | 150.9 | -176.9 | 33.1 | -35 | 0 | 0 | 0 | 113.5 | ||
| 380 | G | 32.8 | Very low | 39.2 | Very low | 67 Ų | 67 | 135.7 Ų | 135.7 | 69% | 0.691 | 83% | 0.83 | S | S | * | * | trans | 115.7 | 85.4 | 150.9 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 381 | F | 36.3 | Very low | 39.6 | Very low | 215 Ų | 215 | 132 Ų | 132 | 94% | 0.943 | 82% | 0.822 | S | S | * | * | trans | -156.3 | 126.3 | 136.7 | -117.9 | -79.2 | 0 | 0 | 0 | 109.4 | ||||
| 382 | T | 45.6 | Very low | 39.1 | Very low | 130 Ų | 130 | 131.7 Ų | 131.7 | 80% | 0.798 | 82% | 0.82 | S | S | * | * | trans | -112.3 | 124.9 | -174 | 48.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 383 | P | 44.8 | Very low | 39.8 | Very low | 117 Ų | 117 | 134.3 Ų | 134.3 | 76% | 0.76 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 154.9 | 168.6 | 32.4 | -33 | 0 | 0 | 0 | 111.9 | ||
| 384 | P | 42.8 | Very low | 40.4 | Very low | 122 Ų | 122 | 131.9 Ų | 131.9 | 79% | 0.792 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -76 | 157.8 | -180 | 31.9 | -35.8 | 0 | 0 | 0 | 113 | ||
| 385 | P | 41.3 | Very low | 40.6 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 87% | 0.87 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -92.7 | 146.6 | -172.2 | 35.5 | -34.6 | 0 | 0 | 0 | 114.4 | ||
| 386 | G | 36.1 | Very low | 41.2 | Very low | 69 Ų | 69 | 127.2 Ų | 127.2 | 71% | 0.711 | 81% | 0.812 | S | S | * | * | trans | 113.7 | 86.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 387 | T | 33.8 | Very low | 41.5 | Very low | 140 Ų | 140 | 124.6 Ų | 124.6 | 86% | 0.859 | 80% | 0.804 | S | S | * | * | -170.6 | 107.4 | 118.3 | 21.5 | 0 | 0 | 0 | 0 | 108.6 | V389 | T387-V389 PolarHBondContact O-N 2.72Š| |||
| 388 | A | 39.2 | Very low | 41.7 | Very low | 106 Ų | 106 | 124.3 Ų | 124.3 | 88% | 0.876 | 80% | 0.802 | S | S | * | * | trans | -86.4 | 107.8 | 173.3 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 389 | V | 41 | Very low | 42.3 | Very low | 129 Ų | 129 | 123.3 Ų | 123.3 | 78% | 0.782 | 80% | 0.8 | S | S | * | * | trans | -113.5 | 107.2 | 165.6 | -179.8 | 0 | 0 | 0 | 0 | 108 | T387 | T387-V389 PolarHBondContact O-N 2.72Š| ||
| 390 | T | 47.2 | Very low | 42.6 | Very low | 127 Ų | 127 | 120.3 Ų | 120.3 | 78% | 0.779 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -68.5 | 124.1 | 173.8 | -23.9 | 0 | 0 | 0 | 0 | 109.2 | ||
| 391 | P | 45.3 | Very low | 43 | Very low | 106 Ų | 106 | 128.6 Ų | 128.6 | 69% | 0.688 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 142.9 | 171.5 | 29.1 | -33 | 0 | 0 | 0 | 110.3 | ||
| 392 | P | 40.1 | Very low | 43.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 76% | 0.76 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -71.6 | 147.7 | 178.6 | 29.5 | -34.7 | 0 | 0 | 0 | 111.8 | G394 | P392-G394 PolarHBondContact O-N 2.93Š|
| 393 | P | 44.2 | Very low | 43.1 | Very low | 139 Ų | 139 | 129.7 Ų | 129.7 | 90% | 0.903 | 79% | 0.79 | S | S | * | * | S | Bend | trans | -79.2 | 101.7 | 177.3 | 31.6 | -32.6 | 0 | 0 | 0 | 110.5 | ||
| 394 | G | 50.2 | Low | 43 | Very low | 78 Ų | 78 | 129.1 Ų | 129.1 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | 160.3 | 53.6 | 176.1 | 0 | 0 | 0 | 0 | 0 | 117 | P392 | P392-G394 PolarHBondContact O-N 2.93Š| ||
| 395 | A | 38.2 | Very low | 42.9 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 80% | 0.802 | 79% | 0.789 | S | S | * | * | trans | -144.8 | 101.8 | 165.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 396 | A | 46.6 | Very low | 42.8 | Very low | 99 Ų | 99 | 136.6 Ų | 136.6 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | trans | -76.1 | 124.7 | 172.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | P398 | A396-P398 VanDerWaalsContact O-CD 3.25Å; A396-P398 WeakPolarHBondContact O-CD 3.39Å | ||
| 397 | N | 45 | Very low | 42.9 | Very low | 134 Ų | 134 | 136.3 Ų | 136.3 | 72% | 0.717 | 79% | 0.788 | S | S | * | * | trans | -68 | 114.6 | 173.8 | -93.8 | -16.2 | 0 | 0 | 0 | 110.2 | Y399 A400 | N397-Y399 PolarHBondContact O-N 3.36Å; N397-Y399 VanDerWaalsContact O-N 3.13Å; N397-A400 HydrophobicContact CB-CB 4.09Å; N397-A400 PolarHBondContact O-N 2.94Å | ||
| 398 | P | 52.7 | Low | 43.1 | Very low | 118 Ų | 118 | 139 Ų | 139 | 77% | 0.766 | 79% | 0.791 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -7.6 | -176.7 | 28.9 | -34.4 | 0 | 0 | 0 | 114 | A396 | A396-P398 VanDerWaalsContact O-CD 3.25Å; A396-P398 WeakPolarHBondContact O-CD 3.39Å |
| 399 | Y | 45.1 | Very low | 42.9 | Very low | 221 Ų | 221 | 137 Ų | 137 | 87% | 0.867 | 78% | 0.779 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | 2.7 | 177.6 | -70.1 | -79.6 | 0 | 0 | 0 | 114.4 | N397 R401 | N397-Y399 PolarHBondContact O-N 3.36Å; N397-Y399 VanDerWaalsContact O-N 3.13Å; Y399-R401 PolarHBondContact O-N 2.64Å |
| 400 | A | 46.3 | Very low | 42.6 | Very low | 61 Ų | 61 | 142.7 Ų | 142.7 | 50% | 0.504 | 79% | 0.789 | S | S | . | * | trans | -75.9 | 84.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | N397 N402 | N397-A400 HydrophobicContact CB-CB 4.09Å; N397-A400 PolarHBondContact O-N 2.94Å; A400-N402 PolarHBondContact O-N 3.25Å; A400-N402 PolarHBondContact O-ND2 3.43Å | ||
| 401 | R | 41.3 | Very low | 42.4 | Very low | 242 Ų | 242 | 143 Ų | 143 | 91% | 0.913 | 79% | 0.79 | S | S | * | * | trans | -62.5 | 100.5 | 174.6 | -170.7 | 119 | -172.4 | 173.1 | 2.6 | 109.8 | Y399 R403 | Y399-R401 PolarHBondContact O-N 2.64Å; R401-R403 PolarHBondContact O-N 3.09Å; R401-R403 VanDerWaalsContact O-N 3.09Å | ||
| 402 | N | 40.8 | Very low | 42.3 | Very low | 147 Ų | 147 | 146.3 Ų | 146.3 | 79% | 0.786 | 80% | 0.797 | S | S | * | * | trans | -57.2 | 114 | 178.8 | -90.5 | -92.7 | 0 | 0 | 0 | 110.7 | A400 | A400-N402 PolarHBondContact O-N 3.25Å; A400-N402 PolarHBondContact O-ND2 3.43Å | ||
| 403 | R | 42.3 | Very low | 42.5 | Very low | 221 Ų | 221 | 146.4 Ų | 146.4 | 83% | 0.834 | 80% | 0.798 | S | S | * | * | trans | -88.1 | 124.1 | 166.1 | -135.3 | -178.7 | -167.9 | -140.9 | 4.8 | 106.8 | R401 H405 | R401-R403 PolarHBondContact O-N 3.09Å; R401-R403 VanDerWaalsContact O-N 3.09Å; R403-H405 PolarHBondContact O-N 3.14Å | ||
| 404 | P | 42.7 | Very low | 42.3 | Very low | 104 Ų | 104 | 142.8 Ų | 142.8 | 68% | 0.675 | 79% | 0.785 | S | S | * | * | trans | -65.6 | 133.5 | 174.2 | 25.9 | -32.1 | 0 | 0 | 0 | 110 | Y406 | P404-Y406 PolarHBondContact O-N 3.22Š| ||
| 405 | H | 41.6 | Very low | 42.6 | Very low | 185 Ų | 185 | 145.8 Ų | 145.8 | 86% | 0.856 | 79% | 0.791 | S | S | * | * | trans | -76.2 | 105.4 | -179.1 | -58.5 | 81.6 | 0 | 0 | 0 | 109.5 | R403 | R403-H405 PolarHBondContact O-N 3.14Š| ||
| 406 | Y | 40.2 | Very low | 42.8 | Very low | 228 Ų | 228 | 144 Ų | 144 | 89% | 0.894 | 78% | 0.781 | S | S | * | * | trans | -84.6 | 118.5 | 166.4 | -92.7 | -87.1 | 0 | 0 | 0 | 109.8 | P404 | P404-Y406 PolarHBondContact O-N 3.22Š| ||
| 407 | G | 36.7 | Very low | 42.5 | Very low | 64 Ų | 64 | 150.5 Ų | 150.5 | 66% | 0.66 | 79% | 0.786 | S | S | * | * | trans | 148.3 | 68.8 | 166.3 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 408 | Q | 38 | Very low | 42.3 | Very low | 197 Ų | 197 | 159 Ų | 159 | 92% | 0.921 | 81% | 0.808 | S | S | * | * | trans | -151 | 140.5 | 146.4 | -84.5 | -50.9 | -14.5 | 0 | 0 | 112.4 | ||||
| 409 | G | 36 | Very low | 41.8 | Very low | 62 Ų | 62 | 161 Ų | 161 | 64% | 0.639 | 81% | 0.81 | S | S | * | * | trans | 75.9 | 79.3 | 150.4 | 0 | 0 | 0 | 0 | 0 | 119.3 | T411 | G409-T411 PolarHBondContact O-N 3.34Š| ||
| 410 | Y | 33.4 | Very low | 41.6 | Very low | 249 Ų | 249 | 157.8 Ų | 157.8 | 98% | 0.976 | 81% | 0.807 | S | S | * | * | trans | -78.5 | 100.9 | 151.6 | -79.8 | -80.8 | 0 | 0 | 0 | 109.8 | ||||
| 411 | T | 42.9 | Very low | 41.4 | Very low | 133 Ų | 133 | 163.2 Ų | 163.2 | 82% | 0.816 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -90.9 | 118.8 | 167.9 | -53.7 | 0 | 0 | 0 | 0 | 109.3 | G409 | G409-T411 PolarHBondContact O-N 3.34Š|
| 412 | Q | 43.4 | Very low | 41.4 | Very low | 177 Ų | 177 | 158.6 Ų | 158.6 | 83% | 0.827 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 134.4 | 173.4 | -79 | -140.9 | 43.2 | 0 | 0 | 112.1 | ||
| 413 | P | 44.9 | Very low | 41.4 | Very low | 119 Ų | 119 | 159.3 Ų | 159.3 | 77% | 0.773 | 82% | 0.821 | S | S | * | * | P | Polyproline II helix | trans | -89.1 | 117.9 | 155.1 | 32.1 | -26.2 | 0 | 0 | 0 | 110.2 | ||
| 414 | G | 39.3 | Very low | 41.4 | Very low | 62 Ų | 62 | 155.2 Ų | 155.2 | 64% | 0.639 | 82% | 0.82 | S | S | * | * | P | Polyproline II helix | trans | -72.4 | 167.8 | 171.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||
| 415 | P | 58.2 | Low | 41.3 | Very low | 142 Ų | 142 | 158.9 Ų | 158.9 | 92% | 0.922 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 143.4 | -172.7 | 34.2 | -34.5 | 0 | 0 | 0 | 112.9 | ||
| 416 | G | 41.2 | Very low | 41.3 | Very low | 58 Ų | 58 | 156.8 Ų | 156.8 | 60% | 0.598 | 83% | 0.828 | S | S | * | * | trans | 159.7 | 125.2 | 159.3 | 0 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 417 | Y | 40.2 | Very low | 41.3 | Very low | 236 Ų | 236 | 150.9 Ų | 150.9 | 93% | 0.925 | 82% | 0.823 | S | S | * | * | trans | 25.3 | 132.3 | 138.4 | -46.7 | -82.6 | 0 | 0 | 0 | 118.3 | ||||
| 418 | R | 41.9 | Very low | 41.8 | Very low | 312 Ų | 312 | 158.8 Ų | 158.8 | 100% | 1.177 | 84% | 0.838 | S | S | * | * | cis | -164 | 0 | 45.3 | -166.1 | -175.8 | -160.9 | -100.8 | 5.7 | 112.1 |
Retrieved 418 of 418 residues in 334.1 ms
(Link to these results)