| 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 | 74 | Confident | 83.7 | Confident | 108 Ų | 108 | 64.6 Ų | 64.6 | 53% | 0.532 | 42% | 0.415 | S | S | . | . | 0 | 147.2 | 0 | -60.1 | -177.8 | 115.4 | 0 | 0 | 107.3 | L9 M21 F30 V32 | M1-L9 HydrophobicContact CB-CD1 3.79Å; M1-L9 HydrophobicContact SD-CD1 4.43Å; M1-M21 HydrophobicContact CE-CE 4.42Å; M1-M21 HydrophobicContact SD-CE 3.66Å; M1-F30 HydrophobicContact CE-CB 3.77Å; M1-F30 HydrophobicContact CE-CD1 3.07Å; M1-F30 HydrophobicContact CE-CD2 3.92Å; M1-F30 HydrophobicContact CE-CE1 3.48Å; M1-F30 VanDerWaalsContact CE-CE1 3.48Å; M1-F30 HydrophobicContact CE-CE2 4.25Å; M1-F30 HydrophobicContact CE-CG 3.3Å; M1-F30 HydrophobicContact CE-CZ 4.04Å; M1-F30 HydrophobicContact SD-CD1 4.16Å; M1-F30 HydrophobicContact SD-CE1 4.34Å; M1-V32 HydrophobicContact CG-CG2 4.31Å | |||
| 2 | V | 76.6 | Confident | 83.9 | Confident | 47 Ų | 47 | 63.4 Ų | 63.4 | 29% | 0.285 | 41% | 0.405 | S | S | . | . | trans | -103.3 | -40.4 | -179.8 | -175.9 | 0 | 0 | 0 | 0 | 109.7 | N8 L9 E31 A33 | V2-N8 PolarHBondContact O-OD1 3.15Å; V2-N8 VanDerWaalsContact O-OD1 3.08Å; V2-L9 PolarHBondContact O-N 3.37Å; V2-E31 HydrophobicContact CB-CB 4.45Å; V2-E31 HydrophobicContact CB-CG 4.39Å; V2-E31 PolarHBondContact N-O 2.85Å; V2-A33 HydrophobicContact CG2-CB 4.06Å | ||
| 3 | A | 83.6 | Confident | 84.2 | Confident | 4 Ų | 4 | 64.8 Ų | 64.8 | 3% | 0.033 | 41% | 0.412 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -149 | 158 | 177 | 0 | 0 | 0 | 0 | 0 | 112.9 | Q7 E31 | A3-Q7 CarbonylContact C-O 3.58Å; A3-Q7 WeakPolarHBondContact CA-O 3.38Å; A3-Q7 VanDerWaalsContact CB-O 3.23Å; A3-Q7 WeakPolarHBondContact CB-O 3.09Å; A3-E31 HydrophobicContact CB-CB 3.85Å; A3-E31 PolarHBondContact N-O 3.05Å; A3-E31 PolarHBondContact O-N 3.43Å |
| 4 | V | 86.6 | Confident | 84.6 | Confident | 1 Ų | 1 | 71.7 Ų | 71.7 | 1% | 0.006 | 44% | 0.437 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.9 | 124.2 | 167 | -174.8 | 0 | 0 | 0 | 0 | 108.4 | G6 Q7 L9 M21 V28 N29 F30 | V4-G6 PolarHBondContact O-N 3.13Å; V4-G6 VanDerWaalsContact O-N 3.15Å; V4-Q7 PolarHBondContact N-O 3.01Å; V4-Q7 VanDerWaalsContact O-CB 3.29Å; V4-Q7 WeakPolarHBondContact O-CB 3.13Å; V4-Q7 PolarHBondContact O-N 2.74Å; V4-L9 HydrophobicContact CG2-CD1 3.33Å; V4-L9 HydrophobicContact CG2-CD2 3.93Å; V4-L9 HydrophobicContact CG2-CG 3.82Å; V4-M21 HydrophobicContact CG1-CG 4.06Å; V4-M21 HydrophobicContact CG2-CE 3.77Å; V4-M21 HydrophobicContact CG2-CG 4.22Å; V4-V28 HydrophobicContact CG1-CG1 3.54Å; V4-N29 CarbonylContact C-O 3.52Å; V4-N29 WeakPolarHBondContact CA-O 3.44Å; V4-F30 HydrophobicContact CB-CD1 4.41Å; V4-F30 HydrophobicContact CB-CE1 4.43Å; V4-F30 HydrophobicContact CG1-CD1 4.18Å; V4-F30 HydrophobicContact CG1-CE1 3.87Å; V4-F30 HydrophobicContact CG2-CD1 3.89Å; V4-F30 HydrophobicContact CG2-CE1 3.85Å |
| 5 | N | 86.6 | Confident | 84.9 | Confident | 64 Ų | 64 | 75.9 Ų | 75.9 | 34% | 0.342 | 45% | 0.45 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.5 | 36.4 | -179.6 | -60.5 | -33.3 | 0 | 0 | 0 | 113.4 | Q7 S24 N29 | N5-Q7 VanDerWaalsContact C-N 3.26Å; N5-Q7 PolarHBondContact O-N 2.89Å; N5-S24 WeakPolarHBondContact ND2-CB 3.46Å; N5-N29 PolarHBondContact N-O 2.91Å; N5-N29 PolarHBondContact OD1-N 3Å |
| 6 | G | 86.3 | Confident | 85.2 | Confident | 69 Ų | 69 | 78.9 Ų | 78.9 | 71% | 0.711 | 45% | 0.452 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.6 | -2.9 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | V4 | V4-G6 PolarHBondContact O-N 3.13Å; V4-G6 VanDerWaalsContact O-N 3.15Å |
| 7 | Q | 83.9 | Confident | 85.4 | Confident | 114 Ų | 114 | 75.1 Ų | 75.1 | 53% | 0.533 | 43% | 0.432 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.4 | 119.6 | 174.8 | -61 | -65.1 | -26.4 | 0 | 0 | 110.4 | A3 V4 N5 L9 L20 | A3-Q7 CarbonylContact C-O 3.58Å; A3-Q7 WeakPolarHBondContact CA-O 3.38Å; A3-Q7 VanDerWaalsContact CB-O 3.23Å; A3-Q7 WeakPolarHBondContact CB-O 3.09Å; V4-Q7 PolarHBondContact N-O 3.01Å; V4-Q7 VanDerWaalsContact O-CB 3.29Å; V4-Q7 WeakPolarHBondContact O-CB 3.13Å; V4-Q7 PolarHBondContact O-N 2.74Å; N5-Q7 VanDerWaalsContact C-N 3.26Å; N5-Q7 PolarHBondContact O-N 2.89Å; Q7-L9 PolarHBondContact O-N 2.59Å; Q7-L20 HydrophobicContact CB-CD1 3.93Å; Q7-L20 HydrophobicContact CG-CD2 4.46Å |
| 8 | N | 87 | Confident | 85.7 | Confident | 96 Ų | 96 | 73.3 Ų | 73.3 | 51% | 0.513 | 43% | 0.428 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -61.7 | 130.2 | 179.9 | -171.5 | 1.7 | 0 | 0 | 0 | 110.9 | V2 V10 V12 | V2-N8 PolarHBondContact O-OD1 3.15Å; V2-N8 VanDerWaalsContact O-OD1 3.08Å; N8-V10 VanDerWaalsContact OD1-CB 3.31Å; N8-V10 WeakPolarHBondContact OD1-CB 3.4Å; N8-V10 VanDerWaalsContact OD1-CG2 3.24Å; N8-V10 WeakPolarHBondContact OD1-CG2 3.43Å; N8-V10 PolarHBondContact OD1-N 2.82Å; N8-V12 WeakPolarHBondContact O-CG2 3.47Å |
| 9 | L | 84.3 | Confident | 85.9 | Confident | 20 Ų | 20 | 75.6 Ų | 75.6 | 11% | 0.105 | 43% | 0.432 | C | S | . | . | trans | -99.1 | -4.3 | 177.4 | -67.1 | -174.3 | 0 | 0 | 0 | 113.4 | M1 V2 V4 Q7 G11 V12 A17 L20 | M1-L9 HydrophobicContact CB-CD1 3.79Å; M1-L9 HydrophobicContact SD-CD1 4.43Å; V2-L9 PolarHBondContact O-N 3.37Å; V4-L9 HydrophobicContact CG2-CD1 3.33Å; V4-L9 HydrophobicContact CG2-CD2 3.93Å; V4-L9 HydrophobicContact CG2-CG 3.82Å; Q7-L9 PolarHBondContact O-N 2.59Å; L9-G11 PolarHBondContact O-N 3.32Å; L9-V12 PolarHBondContact O-N 3.31Å; L9-A17 HydrophobicContact CD1-CB 4.39Å; L9-A17 HydrophobicContact CD2-CB 3.69Å; L9-L20 HydrophobicContact CD2-CD1 4.04Å | ||
| 10 | V | 85.5 | Confident | 86 | Confident | 103 Ų | 103 | 73.2 Ų | 73.2 | 62% | 0.624 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.4 | 118.4 | 179.4 | 179.9 | 0 | 0 | 0 | 0 | 109.3 | N8 V12 | N8-V10 VanDerWaalsContact OD1-CB 3.31Å; N8-V10 WeakPolarHBondContact OD1-CB 3.4Å; N8-V10 VanDerWaalsContact OD1-CG2 3.24Å; N8-V10 WeakPolarHBondContact OD1-CG2 3.43Å; N8-V10 PolarHBondContact OD1-N 2.82Å; V10-V12 VanDerWaalsContact C-N 3.33Å |
| 11 | G | 86.4 | Confident | 86.1 | Confident | 85 Ų | 85 | 72.7 Ų | 72.7 | 88% | 0.876 | 41% | 0.413 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 83 | 5.1 | -179.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L9 | L9-G11 PolarHBondContact O-N 3.32Š|
| 12 | V | 85.7 | Confident | 86.9 | Confident | 50 Ų | 50 | 72.5 Ų | 72.5 | 30% | 0.303 | 42% | 0.422 | S | S | . | . | trans | -91.2 | 142.5 | 178.5 | 174.8 | 0 | 0 | 0 | 0 | 109.9 | N8 L9 V10 Y16 A17 | N8-V12 WeakPolarHBondContact O-CG2 3.47Å; L9-V12 PolarHBondContact O-N 3.31Å; V10-V12 VanDerWaalsContact C-N 3.33Å; V12-Y16 HydrophobicContact CG1-CD1 3.34Å; V12-Y16 HydrophobicContact CG1-CE1 4.33Å; V12-Y16 HydrophobicContact CG1-CG 3.92Å; V12-A17 HydrophobicContact CG1-CB 4.46Å | ||
| 13 | T | 88.3 | Confident | 87.5 | Confident | 81 Ų | 81 | 76.6 Ų | 76.6 | 50% | 0.497 | 44% | 0.438 | S | S | . | . | trans | -68.5 | 154.5 | 176.3 | 81.6 | 0 | 0 | 0 | 0 | 111.3 | E15 Y16 A17 | T13-E15 WeakPolarHBondContact CB-OE2 3.41Å; T13-E15 PolarHBondContact O-N 3.15Å; T13-E15 PolarHBondContact OG1-OE2 3.4Å; T13-Y16 PolarHBondContact O-N 3.43Å; T13-Y16 PolarHBondContact OG1-N 3.49Å; T13-A17 PolarHBondContact O-N 3.4Å | ||
| 14 | Q | 89.3 | Confident | 87.6 | Confident | 162 Ų | 162 | 77.5 Ų | 77.5 | 76% | 0.757 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -58.9 | -34.7 | -179.4 | -174.7 | 175 | 1.7 | 0 | 0 | 112.1 | A17 A18 | Q14-A17 PolarHBondContact O-N 2.83Å; Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.4Å; Q14-A18 PolarHBondContact O-N 3.01Å |
| 15 | E | 89.7 | Confident | 87.5 | Confident | 134 Ų | 134 | 79.9 Ų | 79.9 | 63% | 0.626 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.6 | -42.9 | 179.3 | -56.6 | 71.2 | -153.1 | 0 | 0 | 111.3 | T13 A18 K19 | T13-E15 WeakPolarHBondContact CB-OE2 3.41Å; T13-E15 PolarHBondContact O-N 3.15Å; T13-E15 PolarHBondContact OG1-OE2 3.4Å; E15-A18 PolarHBondContact O-N 3.03Å; E15-K19 WeakPolarHBondContact O-CB 3.29Å; E15-K19 PolarHBondContact O-N 3.07Å |
| 16 | Y | 88.9 | Confident | 87.6 | Confident | 124 Ų | 124 | 83.7 Ų | 83.7 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -70.7 | -39.3 | 178 | -170.6 | -89.6 | 0 | 0 | 0 | 111.1 | V12 T13 A18 K19 L20 | V12-Y16 HydrophobicContact CG1-CD1 3.34Å; V12-Y16 HydrophobicContact CG1-CE1 4.33Å; V12-Y16 HydrophobicContact CG1-CG 3.92Å; T13-Y16 PolarHBondContact O-N 3.43Å; T13-Y16 PolarHBondContact OG1-N 3.49Å; Y16-A18 VanDerWaalsContact C-N 3.33Å; Y16-A18 PolarHBondContact O-N 2.9Å; Y16-K19 WeakPolarHBondContact O-CB 3.48Å; Y16-K19 PolarHBondContact O-N 2.95Å; Y16-L20 HydrophobicContact CD1-CD1 3.98Å; Y16-L20 HydrophobicContact CD1-CG 4.19Å; Y16-L20 HydrophobicContact CE1-CD1 3.79Å; Y16-L20 HydrophobicContact CE1-CD2 4.24Å; Y16-L20 HydrophobicContact CE1-CG 4.01Å; Y16-L20 WeakPolarHBondContact O-CG 3.49Å; Y16-L20 PolarHBondContact O-N 3.13Å |
| 17 | A | 89.2 | Confident | 87.6 | Confident | 14 Ų | 14 | 85.3 Ų | 85.3 | 12% | 0.116 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -59.5 | -43.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | L9 V12 T13 Q14 L20 M21 | L9-A17 HydrophobicContact CD1-CB 4.39Å; L9-A17 HydrophobicContact CD2-CB 3.69Å; V12-A17 HydrophobicContact CG1-CB 4.46Å; T13-A17 PolarHBondContact O-N 3.4Å; Q14-A17 PolarHBondContact O-N 2.83Å; A17-L20 PolarHBondContact O-N 3.3Å; A17-M21 WeakPolarHBondContact O-CG 3.29Å; A17-M21 PolarHBondContact O-N 2.81Å; A17-M21 VanDerWaalsContact O-N 3.13Å |
| 18 | A | 90.3 | Very high | 87.8 | Confident | 44 Ų | 44 | 82.1 Ų | 82.1 | 36% | 0.364 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.6 | -38.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q14 E15 Y16 L20 M21 S22 | Q14-A18 VanDerWaalsContact O-CB 3.28Å; Q14-A18 WeakPolarHBondContact O-CB 3.4Å; Q14-A18 PolarHBondContact O-N 3.01Å; E15-A18 PolarHBondContact O-N 3.03Å; Y16-A18 VanDerWaalsContact C-N 3.33Å; Y16-A18 PolarHBondContact O-N 2.9Å; A18-L20 PolarHBondContact O-N 3.07Å; A18-M21 PolarHBondContact O-N 3.25Å; A18-S22 WeakPolarHBondContact O-CB 3.35Å; A18-S22 PolarHBondContact O-N 2.76Å; A18-S22 PolarHBondContact O-OG 3.42Å; A18-S22 VanDerWaalsContact O-OG 3.07Å |
| 19 | K | 90.7 | Very high | 87.9 | Confident | 116 Ų | 116 | 82.6 Ų | 82.6 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.8 | -43.4 | 174.3 | -175.8 | 178.5 | 178.4 | -179.7 | 0 | 111.8 | E15 Y16 M21 S22 Q23 | E15-K19 WeakPolarHBondContact O-CB 3.29Å; E15-K19 PolarHBondContact O-N 3.07Å; Y16-K19 WeakPolarHBondContact O-CB 3.48Å; Y16-K19 PolarHBondContact O-N 2.95Å; K19-M21 VanDerWaalsContact C-N 3.28Å; K19-M21 PolarHBondContact O-N 3.44Å; K19-S22 PolarHBondContact O-N 2.9Å; K19-Q23 HydrophobicContact CG-CG 4.37Å; K19-Q23 WeakPolarHBondContact O-CB 3.32Å; K19-Q23 VanDerWaalsContact O-CG 3.29Å; K19-Q23 WeakPolarHBondContact O-CG 3.23Å; K19-Q23 PolarHBondContact O-N 3.2Å |
| 20 | L | 87.5 | Confident | 88.1 | Confident | 27 Ų | 27 | 86.2 Ų | 86.2 | 14% | 0.141 | 50% | 0.499 | C | S | . | . | H | α-helix | trans | -61.6 | -37.1 | 175.3 | -68.9 | 174.3 | 0 | 0 | 0 | 112 | Q7 L9 Y16 A17 A18 S24 | Q7-L20 HydrophobicContact CB-CD1 3.93Å; Q7-L20 HydrophobicContact CG-CD2 4.46Å; L9-L20 HydrophobicContact CD2-CD1 4.04Å; Y16-L20 HydrophobicContact CD1-CD1 3.98Å; Y16-L20 HydrophobicContact CD1-CG 4.19Å; Y16-L20 HydrophobicContact CE1-CD1 3.79Å; Y16-L20 HydrophobicContact CE1-CD2 4.24Å; Y16-L20 HydrophobicContact CE1-CG 4.01Å; Y16-L20 WeakPolarHBondContact O-CG 3.49Å; Y16-L20 PolarHBondContact O-N 3.13Å; A17-L20 PolarHBondContact O-N 3.3Å; A18-L20 PolarHBondContact O-N 3.07Å; L20-S24 PolarHBondContact O-N 3.13Å |
| 21 | M | 88.3 | Confident | 88.2 | Confident | 63 Ų | 63 | 86.9 Ų | 86.9 | 31% | 0.31 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.1 | -42.4 | 173.9 | -64.2 | 178 | -167.4 | 0 | 0 | 111.9 | M1 V4 A17 A18 K19 Q23 S24 F30 | M1-M21 HydrophobicContact CE-CE 4.42Å; M1-M21 HydrophobicContact SD-CE 3.66Å; V4-M21 HydrophobicContact CG1-CG 4.06Å; V4-M21 HydrophobicContact CG2-CE 3.77Å; V4-M21 HydrophobicContact CG2-CG 4.22Å; A17-M21 WeakPolarHBondContact O-CG 3.29Å; A17-M21 PolarHBondContact O-N 2.81Å; A17-M21 VanDerWaalsContact O-N 3.13Å; A18-M21 PolarHBondContact O-N 3.25Å; K19-M21 VanDerWaalsContact C-N 3.28Å; K19-M21 PolarHBondContact O-N 3.44Å; M21-Q23 VanDerWaalsContact C-N 3.33Å; M21-Q23 PolarHBondContact O-N 3.19Å; M21-S24 WeakPolarHBondContact O-CB 3.09Å; M21-S24 PolarHBondContact O-N 2.92Å; M21-S24 PolarHBondContact O-OG 3.49Å; M21-F30 HydrophobicContact CE-CE1 3.77Å; M21-F30 HydrophobicContact CE-CZ 4.45Å; M21-F30 HydrophobicContact CG-CE1 4.1Å; M21-F30 HydrophobicContact CG-CZ 4.44Å; M21-F30 HydrophobicContact SD-CE1 4.11Å; M21-F30 HydrophobicContact SD-CZ 4.31Å |
| 22 | S | 89.4 | Confident | 88.2 | Confident | 104 Ų | 104 | 84.8 Ų | 84.8 | 73% | 0.727 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -69.2 | -29.6 | 179.5 | -62.7 | 0 | 0 | 0 | 0 | 113.3 | A18 K19 S24 | A18-S22 WeakPolarHBondContact O-CB 3.35Å; A18-S22 PolarHBondContact O-N 2.76Å; A18-S22 PolarHBondContact O-OG 3.42Å; A18-S22 VanDerWaalsContact O-OG 3.07Å; K19-S22 PolarHBondContact O-N 2.9Å; S22-S24 VanDerWaalsContact C-N 3.31Å |
| 23 | Q | 89 | Confident | 88.2 | Confident | 133 Ų | 133 | 84.7 Ų | 84.7 | 62% | 0.621 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -79 | -16.7 | 174.9 | -73.3 | -179.7 | -28.4 | 0 | 0 | 112.8 | K19 M21 | K19-Q23 HydrophobicContact CG-CG 4.37Å; K19-Q23 WeakPolarHBondContact O-CB 3.32Å; K19-Q23 VanDerWaalsContact O-CG 3.29Å; K19-Q23 WeakPolarHBondContact O-CG 3.23Å; K19-Q23 PolarHBondContact O-N 3.2Å; M21-Q23 VanDerWaalsContact C-N 3.33Å; M21-Q23 PolarHBondContact O-N 3.19Å |
| 24 | S | 85.8 | Confident | 88 | Confident | 23 Ų | 23 | 88.1 Ų | 88.1 | 16% | 0.161 | 48% | 0.478 | C | S | . | . | S | Bend | trans | -72.4 | 147.6 | 177 | 70.6 | 0 | 0 | 0 | 0 | 111.2 | N5 L20 M21 S22 V28 | N5-S24 WeakPolarHBondContact ND2-CB 3.46Å; L20-S24 PolarHBondContact O-N 3.13Å; M21-S24 WeakPolarHBondContact O-CB 3.09Å; M21-S24 PolarHBondContact O-N 2.92Å; M21-S24 PolarHBondContact O-OG 3.49Å; S22-S24 VanDerWaalsContact C-N 3.31Å; S24-V28 WeakPolarHBondContact OG-CG2 3.28Å |
| 25 | G | 85.8 | Confident | 87.6 | Confident | 51 Ų | 51 | 82 Ų | 82 | 53% | 0.526 | 46% | 0.458 | S | S | . | . | trans | -71.8 | -154.6 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | V27 | G25-V27 PolarHBondContact O-N 3.32Š| ||
| 26 | P | 87.9 | Confident | 87.3 | Confident | 144 Ų | 144 | 77.1 Ų | 77.1 | 94% | 0.935 | 44% | 0.441 | S | S | * | . | S | Bend | trans | -58.7 | -20.2 | 179.9 | -24.4 | 34 | 0 | 0 | 0 | 114.8 | ||
| 27 | V | 85.9 | Confident | 87.1 | Confident | 104 Ų | 104 | 71.3 Ų | 71.3 | 63% | 0.63 | 42% | 0.418 | S | S | * | . | trans | -120.6 | 130.9 | -177.4 | -177.2 | 0 | 0 | 0 | 0 | 109.3 | G25 | G25-V27 PolarHBondContact O-N 3.32Š| ||
| 28 | V | 89 | Confident | 86.8 | Confident | 47 Ų | 47 | 74.2 Ų | 74.2 | 29% | 0.285 | 43% | 0.432 | S | S | . | . | trans | -120.5 | 121.8 | 176.3 | -162.1 | 0 | 0 | 0 | 0 | 108.9 | V4 S24 F30 | V4-V28 HydrophobicContact CG1-CG1 3.54Å; S24-V28 WeakPolarHBondContact OG-CG2 3.28Å; V28-F30 HydrophobicContact CB-CE1 4.35Å; V28-F30 HydrophobicContact CB-CE2 3.87Å; V28-F30 HydrophobicContact CB-CZ 3.75Å; V28-F30 HydrophobicContact CG1-CD1 4.18Å; V28-F30 HydrophobicContact CG1-CE1 3.46Å; V28-F30 VanDerWaalsContact CG1-CE1 3.46Å; V28-F30 HydrophobicContact CG1-CE2 3.9Å; V28-F30 HydrophobicContact CG1-CZ 3.32Å | ||
| 29 | N | 89.2 | Confident | 86.4 | Confident | 105 Ų | 105 | 82.2 Ų | 82.2 | 56% | 0.561 | 45% | 0.454 | S | S | * | . | trans | -92.7 | 124.3 | 177.9 | -64.2 | -34.6 | 0 | 0 | 0 | 109.3 | V4 N5 | V4-N29 CarbonylContact C-O 3.52Å; V4-N29 WeakPolarHBondContact CA-O 3.44Å; N5-N29 PolarHBondContact N-O 2.91Å; N5-N29 PolarHBondContact OD1-N 3Å | ||
| 30 | F | 88.4 | Confident | 86 | Confident | 97 Ų | 97 | 82.3 Ų | 82.3 | 43% | 0.425 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.7 | 130.4 | 179.8 | -64.3 | -60.8 | 0 | 0 | 0 | 110.9 | M1 V4 M21 V28 V32 | M1-F30 HydrophobicContact CE-CB 3.77Å; M1-F30 HydrophobicContact CE-CD1 3.07Å; M1-F30 HydrophobicContact CE-CD2 3.92Å; M1-F30 HydrophobicContact CE-CE1 3.48Å; M1-F30 VanDerWaalsContact CE-CE1 3.48Å; M1-F30 HydrophobicContact CE-CE2 4.25Å; M1-F30 HydrophobicContact CE-CG 3.3Å; M1-F30 HydrophobicContact CE-CZ 4.04Å; M1-F30 HydrophobicContact SD-CD1 4.16Å; M1-F30 HydrophobicContact SD-CE1 4.34Å; V4-F30 HydrophobicContact CB-CD1 4.41Å; V4-F30 HydrophobicContact CB-CE1 4.43Å; V4-F30 HydrophobicContact CG1-CD1 4.18Å; V4-F30 HydrophobicContact CG1-CE1 3.87Å; V4-F30 HydrophobicContact CG2-CD1 3.89Å; V4-F30 HydrophobicContact CG2-CE1 3.85Å; M21-F30 HydrophobicContact CE-CE1 3.77Å; M21-F30 HydrophobicContact CE-CZ 4.45Å; M21-F30 HydrophobicContact CG-CE1 4.1Å; M21-F30 HydrophobicContact CG-CZ 4.44Å; M21-F30 HydrophobicContact SD-CE1 4.11Å; M21-F30 HydrophobicContact SD-CZ 4.31Å; V28-F30 HydrophobicContact CB-CE1 4.35Å; V28-F30 HydrophobicContact CB-CE2 3.87Å; V28-F30 HydrophobicContact CB-CZ 3.75Å; V28-F30 HydrophobicContact CG1-CD1 4.18Å; V28-F30 HydrophobicContact CG1-CE1 3.46Å; V28-F30 VanDerWaalsContact CG1-CE1 3.46Å; V28-F30 HydrophobicContact CG1-CE2 3.9Å; V28-F30 HydrophobicContact CG1-CZ 3.32Å; F30-V32 HydrophobicContact CB-CG2 4.34Å |
| 31 | E | 88.5 | Confident | 85.7 | Confident | 116 Ų | 116 | 83.1 Ų | 83.1 | 54% | 0.542 | 48% | 0.475 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 127 | 165.5 | -163.9 | 179.6 | 160.1 | 0 | 0 | 108.7 | V2 A3 | V2-E31 HydrophobicContact CB-CB 4.45Å; V2-E31 HydrophobicContact CB-CG 4.39Å; V2-E31 PolarHBondContact N-O 2.85Å; A3-E31 HydrophobicContact CB-CB 3.85Å; A3-E31 PolarHBondContact N-O 3.05Å; A3-E31 PolarHBondContact O-N 3.43Å |
| 32 | V | 84.9 | Confident | 85.3 | Confident | 42 Ų | 42 | 84 Ų | 84 | 26% | 0.255 | 48% | 0.48 | S | S | . | . | trans | -134.7 | 132.4 | -178.6 | -173.6 | 0 | 0 | 0 | 0 | 108.1 | M1 F30 K34 A36 A37 | M1-V32 HydrophobicContact CG-CG2 4.31Å; F30-V32 HydrophobicContact CB-CG2 4.34Å; V32-K34 PolarHBondContact O-N 2.77Å; V32-A36 HydrophobicContact CG1-CB 4.05Å; V32-A37 HydrophobicContact CG1-CB 4.2Å | ||
| 33 | A | 85.7 | Confident | 84.7 | Confident | 48 Ų | 48 | 79.1 Ų | 79.1 | 40% | 0.397 | 45% | 0.446 | S | S | . | . | trans | -58.2 | 135.4 | 174 | 0 | 0 | 0 | 0 | 0 | 110.2 | V2 G35 A36 A37 | V2-A33 HydrophobicContact CG2-CB 4.06Å; A33-G35 VanDerWaalsContact C-N 3.25Å; A33-G35 PolarHBondContact O-N 3.48Å; A33-A36 HydrophobicContact CB-CB 4.17Å; A33-A36 WeakPolarHBondContact O-CA 3.42Å; A33-A36 WeakPolarHBondContact O-CB 3.46Å; A33-A36 PolarHBondContact O-N 2.92Å; A33-A37 PolarHBondContact O-N 3.36Å | ||
| 34 | K | 83.8 | Confident | 84 | Confident | 152 Ų | 152 | 79.3 Ų | 79.3 | 66% | 0.661 | 45% | 0.447 | S | S | * | . | H | α-helix | trans | -52.7 | -43.7 | -177.6 | -67 | -177 | 179.8 | 176.9 | 0 | 112.4 | V32 A37 L38 L48 | V32-K34 PolarHBondContact O-N 2.77Å; K34-A37 PolarHBondContact O-N 3.42Å; K34-L38 WeakPolarHBondContact O-CG 3.24Å; K34-L38 PolarHBondContact O-N 3.15Å; K34-L48 HydrophobicContact CB-CD1 4.09Å; K34-L48 HydrophobicContact CD-CD2 4.14Å; K34-L48 HydrophobicContact CG-CD1 4.11Å; K34-L48 HydrophobicContact CG-CD2 4.03Å |
| 35 | G | 82.3 | Confident | 83.4 | Confident | 33 Ų | 33 | 83.1 Ų | 83.1 | 34% | 0.34 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.5 | -46.5 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | A33 A37 L38 Y39 | A33-G35 VanDerWaalsContact C-N 3.25Å; A33-G35 PolarHBondContact O-N 3.48Å; G35-A37 VanDerWaalsContact C-N 3.33Å; G35-A37 PolarHBondContact O-N 3.38Å; G35-L38 WeakPolarHBondContact O-CB 3.49Å; G35-L38 PolarHBondContact O-N 3.44Å; G35-L38 VanDerWaalsContact O-N 3.16Å; G35-Y39 WeakPolarHBondContact O-CD2 3.44Å; G35-Y39 PolarHBondContact O-N 3.04Å |
| 36 | A | 82.7 | Confident | 82.7 | Confident | 32 Ų | 32 | 84.5 Ų | 84.5 | 26% | 0.264 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.4 | -38.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V32 A33 L38 Y39 N40 | V32-A36 HydrophobicContact CG1-CB 4.05Å; A33-A36 HydrophobicContact CB-CB 4.17Å; A33-A36 WeakPolarHBondContact O-CA 3.42Å; A33-A36 WeakPolarHBondContact O-CB 3.46Å; A33-A36 PolarHBondContact O-N 2.92Å; A36-L38 VanDerWaalsContact C-N 3.34Å; A36-Y39 PolarHBondContact O-N 2.82Å; A36-N40 WeakPolarHBondContact O-CB 3.42Å; A36-N40 PolarHBondContact O-N 3.17Å; A36-N40 PolarHBondContact O-ND2 2.83Å |
| 37 | A | 85.1 | Confident | 81.9 | Confident | 2 Ų | 2 | 80.9 Ų | 80.9 | 2% | 0.017 | 46% | 0.461 | C | S | . | . | H | α-helix | trans | -64.5 | -39.2 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | V32 A33 K34 G35 G41 L42 A43 V46 L48 | V32-A37 HydrophobicContact CG1-CB 4.2Å; A33-A37 PolarHBondContact O-N 3.36Å; K34-A37 PolarHBondContact O-N 3.42Å; G35-A37 VanDerWaalsContact C-N 3.33Å; G35-A37 PolarHBondContact O-N 3.38Å; A37-G41 PolarHBondContact O-N 3.06Å; A37-L42 HydrophobicContact CB-CB 4.32Å; A37-L42 CarbonylContact O-C 3.56Å; A37-L42 WeakPolarHBondContact O-CA 3.31Å; A37-L42 PolarHBondContact O-N 3.42Å; A37-A43 PolarHBondContact O-N 3.2Å; A37-V46 HydrophobicContact CB-CG2 4.01Å; A37-L48 HydrophobicContact CB-CD1 3.84Å |
| 38 | L | 82 | Confident | 80.9 | Confident | 76 Ų | 76 | 78.2 Ų | 78.2 | 40% | 0.398 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -64.6 | -50.3 | 174 | -74.5 | 161.8 | 0 | 0 | 0 | 112 | K34 G35 A36 N40 G41 A43 | K34-L38 WeakPolarHBondContact O-CG 3.24Å; K34-L38 PolarHBondContact O-N 3.15Å; G35-L38 WeakPolarHBondContact O-CB 3.49Å; G35-L38 PolarHBondContact O-N 3.44Å; G35-L38 VanDerWaalsContact O-N 3.16Å; A36-L38 VanDerWaalsContact C-N 3.34Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 2.98Å; L38-G41 PolarHBondContact O-N 3Å; L38-G41 VanDerWaalsContact O-N 3.12Å; L38-A43 HydrophobicContact CD2-CB 3.49Å; L38-A43 VanDerWaalsContact CD2-CB 3.49Å; L38-A43 HydrophobicContact CG-CB 4.02Å |
| 39 | Y | 81.9 | Confident | 79.6 | Confident | 211 Ų | 211 | 85 Ų | 85 | 83% | 0.827 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.9 | -34.7 | -179.2 | -78.3 | -67.4 | 0 | 0 | 0 | 113.2 | G35 A36 G41 | G35-Y39 WeakPolarHBondContact O-CD2 3.44Å; G35-Y39 PolarHBondContact O-N 3.04Å; A36-Y39 PolarHBondContact O-N 2.82Å; Y39-G41 VanDerWaalsContact C-N 3.29Å; Y39-G41 PolarHBondContact O-N 2.93Å |
| 40 | N | 82.2 | Confident | 78.1 | Confident | 118 Ų | 118 | 83.3 Ų | 83.3 | 63% | 0.631 | 46% | 0.46 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.5 | 6.5 | 177.8 | -68.1 | -74.1 | 0 | 0 | 0 | 113.2 | A36 L38 L42 | A36-N40 WeakPolarHBondContact O-CB 3.42Å; A36-N40 PolarHBondContact O-N 3.17Å; A36-N40 PolarHBondContact O-ND2 2.83Å; L38-N40 VanDerWaalsContact C-N 3.32Å; L38-N40 PolarHBondContact O-N 2.98Å; N40-L42 HydrophobicContact CB-CD1 4.3Å; N40-L42 HydrophobicContact CB-CG 4.2Å; N40-L42 PolarHBondContact O-N 2.93Å |
| 41 | G | 81.8 | Confident | 76.6 | Confident | 44 Ų | 44 | 83.4 Ų | 83.4 | 45% | 0.454 | 47% | 0.47 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 7.3 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115 | A37 L38 Y39 A43 | A37-G41 PolarHBondContact O-N 3.06Å; L38-G41 PolarHBondContact O-N 3Å; L38-G41 VanDerWaalsContact O-N 3.12Å; Y39-G41 VanDerWaalsContact C-N 3.29Å; Y39-G41 PolarHBondContact O-N 2.93Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 3.28Å |
| 42 | L | 79.7 | Confident | 74.9 | Confident | 81 Ų | 81 | 82.5 Ų | 82.5 | 42% | 0.424 | 48% | 0.482 | S | S | . | . | G | 310 helix | trans | -77.1 | -11.3 | 178.8 | -61.9 | 177 | 0 | 0 | 0 | 112.9 | A37 N40 H44 S45 V46 | A37-L42 HydrophobicContact CB-CB 4.32Å; A37-L42 CarbonylContact O-C 3.56Å; A37-L42 WeakPolarHBondContact O-CA 3.31Å; A37-L42 PolarHBondContact O-N 3.42Å; N40-L42 HydrophobicContact CB-CD1 4.3Å; N40-L42 HydrophobicContact CB-CG 4.2Å; N40-L42 PolarHBondContact O-N 2.93Å; L42-H44 PolarHBondContact O-N 2.76Å; L42-H44 VanDerWaalsContact O-N 3.15Å; L42-S45 WeakPolarHBondContact O-CA 3.42Å; L42-S45 WeakPolarHBondContact O-CB 3.16Å; L42-S45 PolarHBondContact O-N 2.85Å; L42-V46 VanDerWaalsContact O-CG2 3.32Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 3.39Å |
| 43 | A | 77 | Confident | 73 | Confident | 2 Ų | 2 | 90.2 Ų | 90.2 | 2% | 0.017 | 51% | 0.507 | C | S | . | . | G | 310 helix | trans | -52.5 | -37.7 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | A37 L38 G41 G47 L48 | A37-A43 PolarHBondContact O-N 3.2Å; L38-A43 HydrophobicContact CD2-CB 3.49Å; L38-A43 VanDerWaalsContact CD2-CB 3.49Å; L38-A43 HydrophobicContact CG-CB 4.02Å; G41-A43 VanDerWaalsContact C-N 3.27Å; G41-A43 PolarHBondContact O-N 3.28Å; A43-G47 PolarHBondContact O-N 3.46Å; A43-L48 HydrophobicContact CB-CB 4.06Å; A43-L48 PolarHBondContact O-N 2.99Å |
| 44 | H | 74.8 | Confident | 70.9 | Confident | 138 Ų | 138 | 92.1 Ų | 92.1 | 64% | 0.639 | 52% | 0.523 | S | S | * | . | G | 310 helix | trans | -64.5 | -41.3 | 174.7 | -57.1 | 99 | 0 | 0 | 0 | 112.4 | L42 V46 Q50 | L42-H44 PolarHBondContact O-N 2.76Å; L42-H44 VanDerWaalsContact O-N 3.15Å; H44-V46 VanDerWaalsContact C-N 3.34Å; H44-Q50 PolarHBondContact CD2-NE2 3.21Å; H44-Q50 PolarHBondContact CE1-NE2 2.85Å; H44-Q50 PolarHBondContact ND1-NE2 2.82Å; H44-Q50 PolarHBondContact NE2-NE2 3.46Å |
| 45 | S | 72.2 | Confident | 68.9 | Low | 102 Ų | 102 | 90.3 Ų | 90.3 | 71% | 0.713 | 54% | 0.536 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72 | -29.7 | -178 | -50.9 | 0 | 0 | 0 | 0 | 112.3 | L42 | L42-S45 WeakPolarHBondContact O-CA 3.42Å; L42-S45 WeakPolarHBondContact O-CB 3.16Å; L42-S45 PolarHBondContact O-N 2.85Å |
| 46 | V | 71 | Confident | 66.7 | Low | 81 Ų | 81 | 91 Ų | 91 | 49% | 0.491 | 54% | 0.543 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | 11.9 | 179.7 | -62.6 | 0 | 0 | 0 | 0 | 113.7 | A37 L42 H44 L48 | A37-V46 HydrophobicContact CB-CG2 4.01Å; L42-V46 VanDerWaalsContact O-CG2 3.32Å; L42-V46 WeakPolarHBondContact O-CG2 3.4Å; L42-V46 PolarHBondContact O-N 3.39Å; H44-V46 VanDerWaalsContact C-N 3.34Å; V46-L48 HydrophobicContact CG2-CB 4.18Å; V46-L48 HydrophobicContact CG2-CD1 3.58Å; V46-L48 HydrophobicContact CG2-CG 3.6Å; V46-L48 PolarHBondContact O-N 3.42Å; V46-L48 VanDerWaalsContact O-N 3.13Å |
| 47 | G | 71.8 | Confident | 64.9 | Low | 68 Ų | 68 | 96.2 Ų | 96.2 | 70% | 0.701 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 65.2 | 14.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | A43 Q49 | A43-G47 PolarHBondContact O-N 3.46Å; G47-Q49 PolarHBondContact O-N 3.18Å; G47-Q49 VanDerWaalsContact O-N 3.07Å |
| 48 | L | 65.2 | Low | 62.8 | Low | 48 Ų | 48 | 100 Ų | 100 | 25% | 0.251 | 60% | 0.598 | S | S | . | * | trans | -72.7 | 105.6 | 173.2 | -68.4 | 175.3 | 0 | 0 | 0 | 107.4 | K34 A37 A43 V46 Q50 | K34-L48 HydrophobicContact CB-CD1 4.09Å; K34-L48 HydrophobicContact CD-CD2 4.14Å; K34-L48 HydrophobicContact CG-CD1 4.11Å; K34-L48 HydrophobicContact CG-CD2 4.03Å; A37-L48 HydrophobicContact CB-CD1 3.84Å; A43-L48 HydrophobicContact CB-CB 4.06Å; A43-L48 PolarHBondContact O-N 2.99Å; V46-L48 HydrophobicContact CG2-CB 4.18Å; V46-L48 HydrophobicContact CG2-CD1 3.58Å; V46-L48 HydrophobicContact CG2-CG 3.6Å; V46-L48 PolarHBondContact O-N 3.42Å; V46-L48 VanDerWaalsContact O-N 3.13Å; L48-Q50 PolarHBondContact O-N 3.02Å | ||
| 49 | Q | 61.8 | Low | 61.1 | Low | 188 Ų | 188 | 102.2 Ų | 102.2 | 88% | 0.879 | 62% | 0.615 | S | S | * | * | trans | -53 | 114.6 | 171.6 | -174.5 | 157.3 | 56.8 | 0 | 0 | 108 | G47 | G47-Q49 PolarHBondContact O-N 3.18Å; G47-Q49 VanDerWaalsContact O-N 3.07Å | ||
| 50 | Q | 56.4 | Low | 59.6 | Low | 71 Ų | 71 | 97.6 Ų | 97.6 | 33% | 0.332 | 60% | 0.601 | S | S | . | * | trans | -57.1 | 136.7 | 173 | -69.7 | -179.2 | 3.5 | 0 | 0 | 107.6 | H44 L48 A52 | H44-Q50 PolarHBondContact CD2-NE2 3.21Å; H44-Q50 PolarHBondContact CE1-NE2 2.85Å; H44-Q50 PolarHBondContact ND1-NE2 2.82Å; H44-Q50 PolarHBondContact NE2-NE2 3.46Å; L48-Q50 PolarHBondContact O-N 3.02Å; Q50-A52 PolarHBondContact O-N 3.08Å | ||
| 51 | P | 57.2 | Low | 57.9 | Low | 99 Ų | 99 | 102.7 Ų | 102.7 | 64% | 0.643 | 61% | 0.611 | S | S | * | * | trans | -52.9 | 125.4 | 166.9 | 23.2 | -30.6 | 0 | 0 | 0 | 106.5 | R53 | P51-R53 PolarHBondContact O-N 3.33Š| ||
| 52 | A | 52.9 | Low | 56.1 | Low | 96 Ų | 96 | 111.2 Ų | 111.2 | 79% | 0.793 | 63% | 0.631 | S | S | * | * | trans | -46 | 115.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | Q50 A54 | Q50-A52 PolarHBondContact O-N 3.08Å; A52-A54 VanDerWaalsContact C-N 3.32Å; A52-A54 PolarHBondContact O-N 3.05Å | ||
| 53 | R | 45.1 | Very low | 54.4 | Low | 205 Ų | 205 | 110.2 Ų | 110.2 | 77% | 0.774 | 63% | 0.631 | S | S | * | * | trans | -55.4 | 103 | -179.7 | -82.3 | 178.4 | 161.2 | -177.1 | -5.4 | 106.8 | P51 A55 | P51-R53 PolarHBondContact O-N 3.33Å; R53-A55 PolarHBondContact O-N 3.41Å | ||
| 54 | A | 43 | Very low | 53.2 | Low | 88 Ų | 88 | 115 Ų | 115 | 73% | 0.727 | 66% | 0.66 | S | S | * | * | trans | -53.2 | 114 | 157.9 | 0 | 0 | 0 | 0 | 0 | 104.7 | A52 G56 | A52-A54 VanDerWaalsContact C-N 3.32Å; A52-A54 PolarHBondContact O-N 3.05Å; A54-G56 PolarHBondContact O-N 2.9Å | ||
| 55 | A | 40 | Very low | 52.1 | Low | 114 Ų | 114 | 111 Ų | 111 | 94% | 0.942 | 65% | 0.648 | S | S | * | * | S | Bend | trans | -63 | 90.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 107.6 | R53 | R53-A55 PolarHBondContact O-N 3.41Š|
| 56 | G | 36.3 | Very low | 51 | Low | 48 Ų | 48 | 109.8 Ų | 109.8 | 50% | 0.495 | 63% | 0.633 | S | S | . | * | trans | 156.8 | 128.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 110.5 | A54 | A54-G56 PolarHBondContact O-N 2.9Š| ||
| 57 | T | 45 | Very low | 50.2 | Low | 140 Ų | 140 | 111.2 Ų | 111.2 | 86% | 0.859 | 64% | 0.637 | S | S | * | * | S | Bend | trans | 80.1 | 80.1 | 179.7 | 78 | 0 | 0 | 0 | 0 | 115 | T59 | T57-T59 PolarHBondContact O-N 3.06Å; T57-T59 VanDerWaalsContact O-N 3.15Å |
| 58 | S | 41.3 | Very low | 48.9 | Very low | 81 Ų | 81 | 115.8 Ų | 115.8 | 57% | 0.566 | 63% | 0.634 | S | S | * | * | trans | 11.2 | 93.2 | 137.4 | -168.7 | 0 | 0 | 0 | 0 | 115.4 | H60 | S58-H60 PolarHBondContact O-N 3.01Å; S58-H60 PolarHBondContact OG-CD2 3.08Å; S58-H60 VanDerWaalsContact OG-CD2 3.23Å; S58-H60 PolarHBondContact OG-CE1 3.2Å; S58-H60 PolarHBondContact OG-NE2 3.04Å; S58-H60 VanDerWaalsContact OG-NE2 3.14Å | ||
| 59 | T | 47.3 | Very low | 48.2 | Very low | 124 Ų | 124 | 118.9 Ų | 118.9 | 76% | 0.761 | 65% | 0.647 | S | S | * | * | trans | -69 | 90.9 | 153.7 | -39.1 | 0 | 0 | 0 | 0 | 105.6 | T57 R61 | T57-T59 PolarHBondContact O-N 3.06Å; T57-T59 VanDerWaalsContact O-N 3.15Å; T59-R61 PolarHBondContact O-N 2.76Å | ||
| 60 | H | 49.7 | Very low | 47.6 | Very low | 113 Ų | 113 | 116 Ų | 116 | 52% | 0.523 | 64% | 0.638 | S | S | . | * | trans | -56.7 | 89.8 | 171.6 | -76.6 | -86.7 | 0 | 0 | 0 | 108.1 | S58 Y62 D66 | S58-H60 PolarHBondContact O-N 3.01Å; S58-H60 PolarHBondContact OG-CD2 3.08Å; S58-H60 VanDerWaalsContact OG-CD2 3.23Å; S58-H60 PolarHBondContact OG-CE1 3.2Å; S58-H60 PolarHBondContact OG-NE2 3.04Å; S58-H60 VanDerWaalsContact OG-NE2 3.14Å; H60-Y62 PolarHBondContact O-N 2.89Å; H60-Y62 VanDerWaalsContact O-N 3.16Å; H60-D66 IonicContact CE1-OD2 2.89Å; H60-D66 PolarHBondContact CE1-OD2 2.85Å; H60-D66 IonicContact ND1-OD2 3.42Å; H60-D66 PolarHBondContact ND1-OD2 3.5Å | ||
| 61 | R | 46.1 | Very low | 47.5 | Very low | 225 Ų | 225 | 116.1 Ų | 116.1 | 85% | 0.849 | 64% | 0.643 | S | S | * | * | trans | -48.7 | 117.6 | 138 | -79.5 | -175.2 | 161 | 178.6 | -5.3 | 104.1 | T59 S63 | T59-R61 PolarHBondContact O-N 2.76Å; R61-S63 PolarHBondContact O-N 2.99Å | ||
| 62 | Y | 44.5 | Very low | 47.3 | Very low | 224 Ų | 224 | 117 Ų | 117 | 88% | 0.878 | 64% | 0.638 | S | S | * | * | trans | -57.2 | 80.6 | 170.6 | -66.9 | -84.8 | 0 | 0 | 0 | 108.2 | H60 | H60-Y62 PolarHBondContact O-N 2.89Å; H60-Y62 VanDerWaalsContact O-N 3.16Å | ||
| 63 | S | 44.1 | Very low | 47.1 | Very low | 60 Ų | 60 | 119 Ų | 119 | 42% | 0.42 | 64% | 0.636 | S | S | . | * | trans | -73.7 | 126 | 165.6 | -167.7 | 0 | 0 | 0 | 0 | 104.2 | R61 S65 D66 | R61-S63 PolarHBondContact O-N 2.99Å; S63-S65 PolarHBondContact O-N 2.91Å; S63-S65 PolarHBondContact OG-OG 3.39Å; S63-D66 PolarHBondContact O-N 3Å; S63-D66 VanDerWaalsContact O-N 3.09Å | ||
| 64 | T | 51.2 | Low | 47.1 | Very low | 101 Ų | 101 | 115.6 Ų | 115.6 | 62% | 0.62 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.7 | -6.5 | 179.3 | 83.1 | 0 | 0 | 0 | 0 | 112.6 | Y68 | T64-Y68 WeakPolarHBondContact O-CD2 3.22Š|
| 65 | S | 51.8 | Low | 47.3 | Very low | 55 Ų | 55 | 119.1 Ų | 119.1 | 39% | 0.385 | 63% | 0.628 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.9 | -35.1 | 175.2 | -38.4 | 0 | 0 | 0 | 0 | 113.7 | S63 I67 Y68 H69 | S63-S65 PolarHBondContact O-N 2.91Å; S63-S65 PolarHBondContact OG-OG 3.39Å; S65-I67 VanDerWaalsContact C-N 3.28Å; S65-I67 PolarHBondContact O-N 3.49Å; S65-Y68 PolarHBondContact O-N 3.12Å; S65-H69 PolarHBondContact O-CD2 3.29Å |
| 66 | D | 49.7 | Very low | 47.4 | Very low | 76 Ų | 76 | 122.3 Ų | 122.3 | 41% | 0.406 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -79 | -16.6 | -177.2 | -64.4 | -23.1 | 0 | 0 | 0 | 112.4 | H60 S63 Y68 | H60-D66 IonicContact CE1-OD2 2.89Å; H60-D66 PolarHBondContact CE1-OD2 2.85Å; H60-D66 IonicContact ND1-OD2 3.42Å; H60-D66 PolarHBondContact ND1-OD2 3.5Å; S63-D66 PolarHBondContact O-N 3Å; S63-D66 VanDerWaalsContact O-N 3.09Å; D66-Y68 VanDerWaalsContact C-N 3.29Å; D66-Y68 PolarHBondContact O-N 3.16Å |
| 67 | I | 53.4 | Low | 47.7 | Very low | 111 Ų | 111 | 126.1 Ų | 126.1 | 57% | 0.569 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -70.8 | -25.2 | 177.2 | -58.8 | 175.9 | 0 | 0 | 0 | 111.4 | S65 V71 | S65-I67 VanDerWaalsContact C-N 3.28Å; S65-I67 PolarHBondContact O-N 3.49Å; I67-V71 WeakPolarHBondContact O-CG2 3.16Å |
| 68 | Y | 44.2 | Very low | 47.3 | Very low | 164 Ų | 164 | 125.5 Ų | 125.5 | 64% | 0.643 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -95.5 | -24.2 | -179.7 | -71.4 | -81.6 | 0 | 0 | 0 | 113.8 | T64 S65 D66 | T64-Y68 WeakPolarHBondContact O-CD2 3.22Å; S65-Y68 PolarHBondContact O-N 3.12Å; D66-Y68 VanDerWaalsContact C-N 3.29Å; D66-Y68 PolarHBondContact O-N 3.16Å |
| 69 | H | 51.6 | Low | 47 | Very low | 113 Ų | 113 | 130.4 Ų | 130.4 | 52% | 0.523 | 65% | 0.646 | S | S | . | * | H | α-helix | trans | -79.9 | -24.7 | -177.1 | -68 | -48.5 | 0 | 0 | 0 | 113.7 | S65 | S65-H69 PolarHBondContact O-CD2 3.29Å |
| 70 | N | 49.3 | Very low | 46.4 | Very low | 129 Ų | 129 | 131.1 Ų | 131.1 | 69% | 0.69 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -87.2 | -9.5 | 175.3 | -122.6 | -2.8 | 0 | 0 | 0 | 114.3 | ||
| 71 | V | 54.1 | Low | 46 | Very low | 72 Ų | 72 | 132.3 Ų | 132.3 | 44% | 0.436 | 67% | 0.665 | S | S | . | * | H | α-helix | trans | -89.2 | -19 | 174.4 | -179.9 | 0 | 0 | 0 | 0 | 111.7 | I67 R75 | I67-V71 WeakPolarHBondContact O-CG2 3.16Å; V71-R75 WeakPolarHBondContact O-CD 3.45Å; V71-R75 WeakPolarHBondContact O-CG 3.4Å |
| 72 | Q | 53.4 | Low | 45.6 | Very low | 117 Ų | 117 | 130.6 Ų | 130.6 | 55% | 0.547 | 66% | 0.664 | S | S | . | * | H | α-helix | trans | -90.8 | -29.6 | 176.9 | -82.5 | 168.5 | -36.6 | 0 | 0 | 113.4 | N74 | Q72-N74 VanDerWaalsContact C-N 3.33Å |
| 73 | N | 48.4 | Very low | 45.6 | Very low | 138 Ų | 138 | 128.5 Ų | 128.5 | 74% | 0.738 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.9 | -7.1 | 178 | -75.2 | -20.7 | 0 | 0 | 0 | 114.4 | ||
| 74 | N | 45 | Very low | 45.4 | Very low | 135 Ų | 135 | 131.3 Ų | 131.3 | 72% | 0.722 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.4 | 15.3 | 173.1 | -127.9 | -2.2 | 0 | 0 | 0 | 113.2 | Q72 | Q72-N74 VanDerWaalsContact C-N 3.33Š|
| 75 | R | 47.8 | Very low | 45.6 | Very low | 161 Ų | 161 | 132.3 Ų | 132.3 | 61% | 0.608 | 69% | 0.687 | S | S | * | * | trans | -99.3 | 14.1 | 177.5 | -80.8 | 179.9 | 174.3 | 146.2 | -0.1 | 114 | V71 | V71-R75 WeakPolarHBondContact O-CD 3.45Å; V71-R75 WeakPolarHBondContact O-CG 3.4Å | ||
| 76 | H | 41.4 | Very low | 45.5 | Very low | 182 Ų | 182 | 134.3 Ų | 134.3 | 84% | 0.843 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -116.8 | 45.5 | 175.5 | -77.1 | 7 | 0 | 0 | 0 | 112.2 | ||
| 77 | V | 42.4 | Very low | 44.8 | Very low | 128 Ų | 128 | 134.9 Ų | 134.9 | 78% | 0.776 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -140.2 | 54 | 158.8 | -165.5 | 0 | 0 | 0 | 0 | 108.5 | ||
| 78 | V | 36.3 | Very low | 44.4 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 73% | 0.725 | S | S | * | * | trans | -141.1 | 80.3 | 170.3 | -173.5 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 79 | Q | 34.8 | Very low | 44 | Very low | 185 Ų | 185 | 140.3 Ų | 140.3 | 86% | 0.864 | 73% | 0.733 | S | S | * | * | trans | -174.8 | 92.4 | 160.4 | -105.4 | 166.5 | 36.5 | 0 | 0 | 107 | ||||
| 80 | T | 35.1 | Very low | 43.5 | Very low | 139 Ų | 139 | 142.2 Ų | 142.2 | 85% | 0.853 | 75% | 0.747 | S | S | * | * | trans | 177.1 | 138.1 | 134.2 | 49.4 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 81 | V | 41 | Very low | 42.9 | Very low | 137 Ų | 137 | 145.6 Ų | 145.6 | 83% | 0.83 | 75% | 0.75 | S | S | * | * | trans | 89.6 | 91.4 | 160.9 | -148.3 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 82 | K | 38.8 | Very low | 42 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 83% | 0.826 | 76% | 0.759 | S | S | * | * | trans | -20.3 | 136.9 | 142.5 | -94.2 | 176 | 168.7 | 178.6 | 0 | 115.8 | ||||
| 83 | Q | 43.9 | Very low | 41.6 | Very low | 180 Ų | 180 | 151.5 Ų | 151.5 | 84% | 0.841 | 77% | 0.768 | S | S | * | * | trans | 106.6 | 131.2 | 154 | -64.6 | 178.5 | 11 | 0 | 0 | 117.4 | ||||
| 84 | P | 39.9 | Very low | 41.1 | Very low | 119 Ų | 119 | 150.1 Ų | 150.1 | 77% | 0.773 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -87.6 | 137.2 | 171.2 | 35.2 | -28.4 | 0 | 0 | 0 | 110 | ||
| 85 | P | 56.3 | Low | 40.7 | Very low | 121 Ų | 121 | 148.5 Ų | 148.5 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -80.6 | 143.8 | 170.8 | 30.9 | -28.7 | 0 | 0 | 0 | 110.6 | ||
| 86 | P | 48.4 | Very low | 40.3 | Very low | 97 Ų | 97 | 144.5 Ų | 144.5 | 63% | 0.63 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -79.7 | 147.8 | -169.8 | 32.1 | -33.8 | 0 | 0 | 0 | 112.4 | F88 | P86-F88 HydrophobicContact CB-CD2 3.9Å; P86-F88 HydrophobicContact CB-CE2 3.91Å; P86-F88 HydrophobicContact CG-CD2 3.81Å; P86-F88 HydrophobicContact CG-CE2 3.93Å; P86-F88 PolarHBondContact O-N 2.93Å |
| 87 | A | 36.1 | Very low | 40.6 | Very low | 88 Ų | 88 | 142.1 Ų | 142.1 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -64 | 117 | 162.7 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||
| 88 | F | 43.8 | Very low | 40.4 | Very low | 185 Ų | 185 | 139.4 Ų | 139.4 | 81% | 0.811 | 79% | 0.785 | S | S | * | * | trans | -130.3 | 120.4 | 166.3 | -90.4 | -84.1 | 0 | 0 | 0 | 111 | P86 | P86-F88 HydrophobicContact CB-CD2 3.9Å; P86-F88 HydrophobicContact CB-CE2 3.91Å; P86-F88 HydrophobicContact CG-CD2 3.81Å; P86-F88 HydrophobicContact CG-CE2 3.93Å; P86-F88 PolarHBondContact O-N 2.93Å | ||
| 89 | Y | 36.3 | Very low | 40.5 | Very low | 204 Ų | 204 | 136.9 Ų | 136.9 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -71.6 | 135.9 | 167.3 | -58.8 | -100 | 0 | 0 | 0 | 109.5 | ||||
| 90 | N | 41.7 | Very low | 41.1 | Very low | 153 Ų | 153 | 140 Ų | 140 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 169 | 105.7 | 144.7 | -86.5 | -22.6 | 0 | 0 | 0 | 107 | ||||
| 91 | R | 35.9 | Very low | 41.6 | Very low | 201 Ų | 201 | 138.1 Ų | 138.1 | 76% | 0.758 | 78% | 0.781 | S | S | * | * | 62.3 | 104.2 | 75.6 | -163.6 | -167.9 | -89.3 | -128.5 | -7.7 | 111.8 | |||||
| 92 | M | 36.3 | Very low | 41.5 | Very low | 128 Ų | 128 | 135.6 Ų | 135.6 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | 156.7 | 112.3 | 122 | -82.3 | -158 | 173.1 | 0 | 0 | 112.8 | |||||
| 93 | Y | 44 | Very low | 41.9 | Very low | 185 Ų | 185 | 137 Ų | 137 | 73% | 0.725 | 78% | 0.783 | S | S | * | * | trans | 51.2 | 145.3 | 145.1 | -36.7 | -62.7 | 0 | 0 | 0 | 120.2 | ||||
| 94 | S | 38.3 | Very low | 41.9 | Very low | 109 Ų | 109 | 134.1 Ų | 134.1 | 76% | 0.762 | 78% | 0.782 | S | S | * | * | cis | -164.5 | 145.3 | 10.5 | -160.8 | 0 | 0 | 0 | 0 | 110 | ||||
| 95 | A | 36.9 | Very low | 42.2 | Very low | 100 Ų | 100 | 136.9 Ų | 136.9 | 83% | 0.826 | 79% | 0.787 | S | S | * | * | trans | 38.7 | 120 | 143.6 | 0 | 0 | 0 | 0 | 0 | 121 | ||||
| 96 | G | 38.6 | Very low | 41.4 | Very low | 78 Ų | 78 | 136.2 Ų | 136.2 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 170.2 | 75.3 | 160.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 97 | S | 48.7 | Very low | 41.3 | Very low | 131 Ų | 131 | 136.5 Ų | 136.5 | 92% | 0.916 | 80% | 0.796 | S | S | * | * | trans | 16.9 | 125.2 | 148 | -167.7 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 98 | G | 38.2 | Very low | 41.7 | Very low | 72 Ų | 72 | 138.2 Ų | 138.2 | 74% | 0.742 | 80% | 0.803 | S | S | * | * | trans | 117.7 | 87.8 | 135.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 99 | G | 38.8 | Very low | 41.8 | Very low | 73 Ų | 73 | 134.6 Ų | 134.6 | 75% | 0.753 | 80% | 0.8 | S | S | * | * | 74.6 | 122.7 | 120.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | |||||
| 100 | R | 46.9 | Very low | 42.3 | Very low | 249 Ų | 249 | 133 Ų | 133 | 94% | 0.94 | 81% | 0.805 | S | S | * | * | trans | 108.3 | 103.4 | 138.1 | -62.5 | -176.8 | 165.6 | -141.5 | -3.5 | 117.9 | ||||
| 101 | S | 45 | Very low | 42.4 | Very low | 101 Ų | 101 | 133.6 Ų | 133.6 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | 74.2 | 87.9 | 125.7 | -145.3 | 0 | 0 | 0 | 0 | 117.6 | R103 | S101-R103 PolarHBondContact O-N 3.41Š| |||
| 102 | G | 38.6 | Very low | 42.6 | Very low | 83 Ų | 83 | 132.6 Ų | 132.6 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | trans | -73.7 | 112.2 | 148.3 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 103 | R | 46.8 | Very low | 42.8 | Very low | 221 Ų | 221 | 134.5 Ų | 134.5 | 83% | 0.834 | 82% | 0.823 | S | S | * | * | trans | -125.2 | 103.1 | 159.4 | -82.4 | -172.8 | 161.7 | -167.3 | -4.6 | 108.7 | S101 M105 | S101-R103 PolarHBondContact O-N 3.41Å; R103-M105 PolarHBondContact O-N 3.27Å | ||
| 104 | S | 43.8 | Very low | 42.8 | Very low | 119 Ų | 119 | 130 Ų | 130 | 83% | 0.832 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 124.3 | 169.3 | -168.6 | 0 | 0 | 0 | 0 | 109.7 | ||
| 105 | M | 46.1 | Very low | 43.1 | Very low | 176 Ų | 176 | 136.1 Ų | 136.1 | 87% | 0.867 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -93.7 | 117.3 | 179.5 | -51.7 | -158.4 | 82.5 | 0 | 0 | 109.2 | R103 | R103-M105 PolarHBondContact O-N 3.27Š|
| 106 | S | 41.1 | Very low | 43.5 | Very low | 107 Ų | 107 | 139.9 Ų | 139.9 | 75% | 0.748 | 84% | 0.835 | S | S | * | * | P | Polyproline II helix | trans | -96.5 | 133 | 168.5 | -62.7 | 0 | 0 | 0 | 0 | 109.5 | S108 | S106-S108 PolarHBondContact O-N 2.91Å; S106-S108 VanDerWaalsContact O-N 3.1Å |
| 107 | A | 45.4 | Very low | 43.7 | Very low | 104 Ų | 104 | 144.2 Ų | 144.2 | 86% | 0.86 | 84% | 0.84 | S | S | * | * | S | Bend | trans | -68.3 | 95.6 | -170.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 108 | S | 44.6 | Very low | 43.4 | Very low | 124 Ų | 124 | 140.9 Ų | 140.9 | 87% | 0.867 | 83% | 0.826 | S | S | * | * | trans | -158.4 | 22.7 | 167.8 | -79.5 | 0 | 0 | 0 | 0 | 115.5 | S106 | S106-S108 PolarHBondContact O-N 2.91Å; S106-S108 VanDerWaalsContact O-N 3.1Å | ||
| 109 | S | 45.2 | Very low | 43.7 | Very low | 108 Ų | 108 | 143.1 Ų | 143.1 | 76% | 0.755 | 83% | 0.83 | S | S | * | * | trans | -138.4 | 50 | -178.1 | 57.3 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 110 | L | 48.5 | Very low | 43.8 | Very low | 172 Ų | 172 | 148.6 Ų | 148.6 | 90% | 0.901 | 84% | 0.836 | S | S | * | * | trans | -125.5 | 56.3 | 174.4 | -90.3 | 162.2 | 0 | 0 | 0 | 110.2 | ||||
| 111 | L | 43.3 | Very low | 44.1 | Very low | 165 Ų | 165 | 141.7 Ų | 141.7 | 86% | 0.864 | 82% | 0.824 | S | S | * | * | S | Bend | trans | -164.4 | 58.1 | 172.4 | -105.5 | -178.7 | 0 | 0 | 0 | 113 | ||
| 112 | H | 39.1 | Very low | 43.9 | Very low | 179 Ų | 179 | 144.1 Ų | 144.1 | 83% | 0.829 | 83% | 0.828 | S | S | * | * | trans | 173.7 | 110.5 | 150.4 | -113.8 | 59.2 | 0 | 0 | 0 | 108.6 | ||||
| 113 | D | 41.9 | Very low | 44.3 | Very low | 168 Ų | 168 | 148.4 Ų | 148.4 | 90% | 0.898 | 83% | 0.827 | S | S | * | * | trans | -161.7 | 140 | 139.3 | -105.7 | -29.5 | 0 | 0 | 0 | 112 | ||||
| 114 | A | 42.6 | Very low | 44.1 | Very low | 90 Ų | 90 | 148.3 Ų | 148.3 | 74% | 0.744 | 83% | 0.827 | S | S | * | * | trans | 72.1 | 75.2 | 163.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 115 | Y | 44.6 | Very low | 44.3 | Very low | 238 Ų | 238 | 152.4 Ų | 152.4 | 93% | 0.933 | 82% | 0.824 | S | S | * | * | trans | -60.4 | 143.2 | 142.9 | -112.4 | -107.1 | 0 | 0 | 0 | 110.6 | ||||
| 116 | M | 45.7 | Very low | 44.1 | Very low | 180 Ų | 180 | 150.9 Ų | 150.9 | 89% | 0.887 | 82% | 0.815 | S | S | * | * | trans | -76.1 | 122.3 | 179.1 | -63.6 | -82.8 | 176.4 | 0 | 0 | 111.5 | ||||
| 117 | D | 42.4 | Very low | 44.6 | Very low | 168 Ų | 168 | 150.7 Ų | 150.7 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -170.7 | 121.1 | 158.8 | -145.9 | 2 | 0 | 0 | 0 | 106.4 | ||||
| 118 | G | 43.1 | Very low | 44.6 | Very low | 61 Ų | 61 | 149.2 Ų | 149.2 | 63% | 0.629 | 82% | 0.815 | S | S | * | * | cis | 111.3 | 77.3 | 49.8 | 0 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 119 | S | 44.6 | Very low | 44.7 | Very low | 120 Ų | 120 | 151.2 Ų | 151.2 | 84% | 0.839 | 82% | 0.816 | S | S | * | * | trans | -170 | 123.4 | 160.2 | 4.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 120 | H | 40.5 | Very low | 45 | Very low | 187 Ų | 187 | 152 Ų | 152 | 87% | 0.866 | 82% | 0.818 | S | S | * | * | trans | -65 | -166.9 | 175.9 | -59.9 | -96 | 0 | 0 | 0 | 114.6 | ||||
| 121 | P | 52.4 | Low | 44.9 | Very low | 105 Ų | 105 | 149.1 Ų | 149.1 | 68% | 0.682 | 81% | 0.813 | S | S | * | * | cis | -133.6 | 175.9 | -21.2 | 16.3 | 9 | 0 | 0 | 0 | 113.3 | ||||
| 122 | L | 40.7 | Very low | 45.3 | Very low | 151 Ų | 151 | 147.4 Ų | 147.4 | 79% | 0.791 | 81% | 0.809 | S | S | * | * | 168.1 | 113.3 | 119.7 | -86.9 | 170.3 | 0 | 0 | 0 | 112.8 | |||||
| 123 | M | 48.8 | Very low | 45.5 | Very low | 173 Ų | 173 | 144.4 Ų | 144.4 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | 53.4 | 120.7 | 140.1 | -63 | -76.7 | 146.6 | 0 | 0 | 119.8 | ||||
| 124 | R | 42.1 | Very low | 45.8 | Very low | 220 Ų | 220 | 142.2 Ų | 142.2 | 83% | 0.83 | 80% | 0.803 | S | S | * | * | 166.8 | 112.3 | 103.4 | -174.5 | 165.6 | -161 | -173.8 | 5 | 113.2 | |||||
| 125 | R | 47.6 | Very low | 45.6 | Very low | 205 Ų | 205 | 142.7 Ų | 142.7 | 77% | 0.774 | 81% | 0.807 | S | S | * | * | trans | 50.4 | 141.3 | 131.1 | -82.3 | -172 | -176.4 | -145.3 | 9.9 | 119.6 | ||||
| 126 | E | 42.3 | Very low | 45.6 | Very low | 144 Ų | 144 | 138 Ų | 138 | 67% | 0.673 | 80% | 0.803 | S | S | * | * | cis | -158.6 | 162.3 | 9.4 | -62.9 | -151.1 | 158.4 | 0 | 0 | 110.6 | ||||
| 127 | A | 50.3 | Low | 45.3 | Very low | 103 Ų | 103 | 133.5 Ų | 133.5 | 85% | 0.851 | 79% | 0.794 | S | S | * | * | trans | 66.2 | 117.9 | 144.9 | 0 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 128 | G | 46.3 | Very low | 45.1 | Very low | 73 Ų | 73 | 132 Ų | 132 | 75% | 0.753 | 79% | 0.791 | S | S | * | * | trans | 161.6 | 77.5 | 155.8 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 129 | D | 46.1 | Very low | 45 | Very low | 165 Ų | 165 | 133.1 Ų | 133.1 | 88% | 0.882 | 80% | 0.795 | S | S | * | * | trans | 65.2 | 120.3 | 156.4 | -64 | -22.9 | 0 | 0 | 0 | 123.1 | ||||
| 130 | P | 53.2 | Low | 44.8 | Very low | 125 Ų | 125 | 132.6 Ų | 132.6 | 81% | 0.812 | 79% | 0.791 | S | S | * | * | trans | -115.4 | 139.4 | 161.8 | 36.4 | -23.3 | 0 | 0 | 0 | 112.5 | ||||
| 131 | S | 44.6 | Very low | 45 | Very low | 112 Ų | 112 | 128.6 Ų | 128.6 | 78% | 0.783 | 78% | 0.784 | S | S | * | * | trans | -153.9 | 131.9 | 157.4 | 84.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 132 | V | 51.5 | Low | 44.6 | Very low | 128 Ų | 128 | 130 Ų | 130 | 78% | 0.776 | 79% | 0.786 | S | S | * | * | trans | 69.7 | 88.7 | 156.9 | -153.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 133 | S | 43.8 | Very low | 44.9 | Very low | 116 Ų | 116 | 127.3 Ų | 127.3 | 81% | 0.811 | 78% | 0.776 | S | S | * | * | 60.3 | 141.4 | 78.4 | -65.8 | 0 | 0 | 0 | 0 | 118.5 | |||||
| 134 | P | 47.8 | Very low | 44.7 | Very low | 123 Ų | 123 | 129 Ų | 129 | 80% | 0.799 | 77% | 0.774 | S | S | * | * | trans | -118.7 | 160.4 | -149.3 | 38.2 | -22.3 | 0 | 0 | 0 | 115.5 | ||||
| 135 | A | 40 | Very low | 44.9 | Very low | 99 Ų | 99 | 125.1 Ų | 125.1 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -167.2 | 129 | 159.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 136 | V | 42.9 | Very low | 44.7 | Very low | 141 Ų | 141 | 124.5 Ų | 124.5 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | -0.9 | 132.5 | 147.2 | -178.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 137 | A | 39.9 | Very low | 44.8 | Very low | 85 Ų | 85 | 124.2 Ų | 124.2 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | trans | 164 | 112.5 | 131.7 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 138 | T | 37.8 | Very low | 44.7 | Very low | 136 Ų | 136 | 128.8 Ų | 128.8 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | 48.2 | 118.2 | 98.9 | -22.8 | 0 | 0 | 0 | 0 | 115.4 | |||||
| 139 | A | 41.3 | Very low | 44.5 | Very low | 85 Ų | 85 | 132.1 Ų | 132.1 | 70% | 0.702 | 76% | 0.756 | S | S | * | * | trans | 146.5 | 112.1 | 136 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 140 | S | 41.5 | Very low | 44.8 | Very low | 109 Ų | 109 | 128.7 Ų | 128.7 | 76% | 0.762 | 74% | 0.741 | S | S | * | * | 52 | 154.6 | 128.6 | 57.5 | 0 | 0 | 0 | 0 | 123.8 | |||||
| 141 | S | 44.9 | Very low | 44.3 | Very low | 102 Ų | 102 | 131.1 Ų | 131.1 | 71% | 0.713 | 74% | 0.742 | S | S | * | * | trans | 91.8 | 136.6 | 161.6 | 79.2 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 142 | D | 43.1 | Very low | 44.6 | Very low | 135 Ų | 135 | 131.6 Ų | 131.6 | 72% | 0.722 | 73% | 0.733 | S | S | * | * | cis | -177.2 | 149.6 | -8.3 | -115 | -39.2 | 0 | 0 | 0 | 107.5 | ||||
| 143 | T | 46.2 | Very low | 44.6 | Very low | 95 Ų | 95 | 131.3 Ų | 131.3 | 58% | 0.583 | 73% | 0.734 | S | S | * | * | trans | 61.2 | 135.2 | 145 | 58.4 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 144 | Y | 46.2 | Very low | 44.8 | Very low | 208 Ų | 208 | 135.3 Ų | 135.3 | 82% | 0.816 | 73% | 0.733 | S | S | * | * | -148.5 | 126.2 | 65.4 | -73.9 | -92.8 | 0 | 0 | 0 | 109.8 | |||||
| 145 | L | 45.7 | Very low | 44.6 | Very low | 138 Ų | 138 | 135.7 Ų | 135.7 | 72% | 0.723 | 73% | 0.733 | S | S | * | * | 53.4 | 129.7 | 89.7 | -80 | 163.9 | 0 | 0 | 0 | 112.9 | |||||
| 146 | R | 42.6 | Very low | 44.8 | Very low | 192 Ų | 192 | 135.6 Ų | 135.6 | 73% | 0.725 | 73% | 0.732 | S | S | * | * | cis | 179.4 | 140.2 | 13.7 | -151.7 | -166.4 | 174.8 | -152.2 | -20.2 | 109.4 | ||||
| 147 | H | 45.7 | Very low | 44.9 | Very low | 139 Ų | 139 | 134.3 Ų | 134.3 | 64% | 0.644 | 73% | 0.729 | S | S | * | * | trans | 62.2 | 146.4 | 149 | -64.4 | -23.2 | 0 | 0 | 0 | 120.8 | ||||
| 148 | R | 47.5 | Very low | 45.2 | Very low | 199 Ų | 199 | 141.3 Ų | 141.3 | 75% | 0.751 | 74% | 0.738 | S | S | * | * | cis | -172.8 | 147.5 | 42.1 | -139.2 | 176.6 | 168.1 | 167.1 | -7.7 | 111.1 | ||||
| 149 | E | 42.5 | Very low | 45.4 | Very low | 143 Ų | 143 | 143 Ų | 143 | 67% | 0.668 | 74% | 0.738 | S | S | * | * | trans | 70.6 | 138.5 | 147 | -74.1 | 156.1 | -170.8 | 0 | 0 | 119.4 | ||||
| 150 | T | 51 | Low | 45.9 | Very low | 93 Ų | 93 | 144.8 Ų | 144.8 | 57% | 0.571 | 74% | 0.743 | S | S | * | * | cis | 180 | 138.8 | 4.8 | -88.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 151 | E | 44.6 | Very low | 46.6 | Very low | 175 Ų | 175 | 146.6 Ų | 146.6 | 82% | 0.818 | 75% | 0.749 | S | S | * | * | trans | 60.7 | 144.1 | 150.5 | -64.5 | 163.2 | -159.4 | 0 | 0 | 121.6 | ||||
| 152 | M | 50.8 | Low | 46.7 | Very low | 122 Ų | 122 | 149.4 Ų | 149.4 | 60% | 0.601 | 75% | 0.75 | S | S | * | * | cis | -171.8 | 141.9 | -5.4 | -91.3 | -85.3 | -90.7 | 0 | 0 | 105.9 | Y154 | M152-Y154 HydrophobicContact CB-CE2 4.4Å; M152-Y154 HydrophobicContact CE-CE2 4.08Å; M152-Y154 WeakPolarHBondContact CE-OH 3.34Å | ||
| 153 | P | 50.8 | Low | 46.9 | Very low | 123 Ų | 123 | 151.2 Ų | 151.2 | 80% | 0.799 | 76% | 0.756 | S | S | * | * | P | Polyproline II helix | trans | -102.8 | 123.4 | 168.2 | 33.6 | -23.5 | 0 | 0 | 0 | 111.4 | ||
| 154 | Y | 47.9 | Very low | 47 | Very low | 199 Ų | 199 | 150.1 Ų | 150.1 | 78% | 0.78 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -100 | 130.5 | 171.2 | -79.3 | -78.4 | 0 | 0 | 0 | 112.1 | M152 | M152-Y154 HydrophobicContact CB-CE2 4.4Å; M152-Y154 HydrophobicContact CE-CE2 4.08Å; M152-Y154 WeakPolarHBondContact CE-OH 3.34Å |
| 155 | T | 44.1 | Very low | 47.1 | Very low | 131 Ų | 131 | 150.8 Ų | 150.8 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | P | Polyproline II helix | trans | -75.3 | 139.9 | 172 | 53.2 | 0 | 0 | 0 | 0 | 112.1 | ||
| 156 | A | 43.4 | Very low | 47 | Very low | 97 Ų | 97 | 148.4 Ų | 148.4 | 80% | 0.802 | 77% | 0.765 | S | S | * | * | trans | -150.2 | 97.4 | 154.1 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 157 | S | 45 | Very low | 47.5 | Very low | 114 Ų | 114 | 146.9 Ų | 146.9 | 80% | 0.797 | 77% | 0.768 | S | S | * | * | 53.4 | 87.8 | 93.4 | -73.8 | 0 | 0 | 0 | 0 | 114.9 | |||||
| 158 | R | 46.4 | Very low | 48 | Very low | 233 Ų | 233 | 146.8 Ų | 146.8 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | 23.9 | 120.7 | 117.9 | -160.7 | -178.1 | -160.1 | -163.4 | 5 | 116.1 | |||||
| 159 | M | 42.7 | Very low | 48.6 | Very low | 171 Ų | 171 | 143 Ų | 143 | 84% | 0.842 | 78% | 0.779 | S | S | * | * | -173.2 | 132.8 | 128.9 | -76.1 | -126.7 | 172.7 | 0 | 0 | 110.9 | |||||
| 160 | P | 51.3 | Low | 49.4 | Very low | 123 Ų | 123 | 142 Ų | 142 | 80% | 0.799 | 78% | 0.784 | S | S | * | * | trans | -96.3 | 141.9 | 161.1 | 34.8 | -25.5 | 0 | 0 | 0 | 110.3 | ||||
| 161 | V | 57 | Low | 48.9 | Very low | 146 Ų | 146 | 142.4 Ų | 142.4 | 89% | 0.885 | 80% | 0.797 | S | S | * | * | trans | -137.3 | 154.9 | 172 | -89.6 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 162 | H | 47.1 | Very low | 49.4 | Very low | 162 Ų | 162 | 141.6 Ų | 141.6 | 75% | 0.75 | 80% | 0.797 | S | S | * | * | trans | -97.3 | 163.7 | -152.2 | -144.6 | 39 | 0 | 0 | 0 | 111.9 | ||||
| 163 | M | 47.3 | Very low | 49.4 | Very low | 172 Ų | 172 | 144.7 Ų | 144.7 | 85% | 0.847 | 81% | 0.81 | S | S | * | * | trans | 62.7 | 125.8 | 153.8 | -64.1 | -155.9 | -177.9 | 0 | 0 | 120.6 | ||||
| 164 | G | 47.2 | Very low | 49.4 | Very low | 72 Ų | 72 | 145 Ų | 145 | 74% | 0.742 | 81% | 0.809 | S | S | * | * | trans | 173.3 | 72.1 | 163 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 165 | R | 48.8 | Very low | 49.3 | Very low | 223 Ų | 223 | 146.5 Ų | 146.5 | 84% | 0.842 | 81% | 0.814 | S | S | * | * | 81.4 | 113 | 98.7 | -165.6 | 172.8 | 176.9 | 176 | -1.2 | 112.2 | |||||
| 166 | A | 42.4 | Very low | 49.3 | Very low | 87 Ų | 87 | 145.8 Ų | 145.8 | 72% | 0.719 | 81% | 0.814 | S | S | * | * | trans | -55.5 | 142.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 167 | M | 53.5 | Low | 50.3 | Low | 160 Ų | 160 | 147 Ų | 147 | 79% | 0.788 | 81% | 0.813 | S | S | * | * | trans | -144.6 | 107.5 | 157.3 | -72.9 | -62.1 | 172.4 | 0 | 0 | 108.9 | ||||
| 168 | T | 56.3 | Low | 50.5 | Low | 138 Ų | 138 | 146.8 Ų | 146.8 | 85% | 0.847 | 81% | 0.812 | S | S | * | * | trans | -92.3 | 140.4 | 163.3 | 38.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 169 | P | 61.2 | Low | 50.4 | Low | 119 Ų | 119 | 144 Ų | 144 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | -129.2 | 167.5 | 154.2 | 40.3 | -26.1 | 0 | 0 | 0 | 111.1 | ||||
| 170 | P | 57.7 | Low | 50.8 | Low | 121 Ų | 121 | 144.4 Ų | 144.4 | 79% | 0.786 | 82% | 0.816 | S | S | * | * | -103.3 | 166.1 | -114.4 | 19.5 | 1.1 | 0 | 0 | 0 | 114.9 | |||||
| 171 | A | 42.4 | Very low | 50.9 | Low | 102 Ų | 102 | 144.8 Ų | 144.8 | 84% | 0.843 | 82% | 0.816 | S | S | * | * | trans | -60.2 | 132.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 172 | I | 54.7 | Low | 50.6 | Low | 158 Ų | 158 | 143.2 Ų | 143.2 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | -101.7 | 115.2 | 163.1 | -65.7 | 176.7 | 0 | 0 | 0 | 107.7 | V174 | I172-V174 HydrophobicContact CG2-CG2 3.95Š| ||
| 173 | Q | 49.1 | Very low | 50.4 | Low | 187 Ų | 187 | 142.7 Ų | 142.7 | 87% | 0.874 | 81% | 0.812 | S | S | * | * | trans | -91.7 | 107.1 | 179.7 | -161.9 | 171.1 | 15.3 | 0 | 0 | 107.1 | ||||
| 174 | V | 51.6 | Low | 50.3 | Low | 129 Ų | 129 | 145.2 Ų | 145.2 | 78% | 0.782 | 81% | 0.812 | S | S | * | * | trans | -116.8 | 120 | 168 | -175.1 | 0 | 0 | 0 | 0 | 109 | I172 | I172-V174 HydrophobicContact CG2-CG2 3.95Š| ||
| 175 | R | 46.3 | Very low | 50.1 | Low | 232 Ų | 232 | 147.2 Ų | 147.2 | 88% | 0.875 | 81% | 0.814 | S | S | * | * | P | Polyproline II helix | trans | -60.1 | 131.7 | -172.6 | -65.4 | 156 | 120 | -151.9 | 0.1 | 112.2 | ||
| 176 | S | 43.8 | Very low | 50.4 | Low | 116 Ų | 116 | 142.3 Ų | 142.3 | 81% | 0.811 | 81% | 0.811 | S | S | * | * | P | Polyproline II helix | trans | -82.4 | 130.7 | 152 | -47.3 | 0 | 0 | 0 | 0 | 108.8 | ||
| 177 | P | 63.6 | Low | 50.6 | Low | 121 Ų | 121 | 143.1 Ų | 143.1 | 79% | 0.786 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -94.4 | 123.4 | 159.7 | 30 | -22 | 0 | 0 | 0 | 110.5 | ||
| 178 | S | 50.7 | Low | 50.2 | Low | 111 Ų | 111 | 139.6 Ų | 139.6 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | 4.3 | 129.7 | 156 | -54.5 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 179 | L | 44.5 | Very low | 49.7 | Very low | 173 Ų | 173 | 136.5 Ų | 136.5 | 91% | 0.906 | 82% | 0.818 | S | S | * | * | trans | -48.3 | 124.5 | 146.1 | -72.8 | 148.8 | 0 | 0 | 0 | 111.5 | ||||
| 180 | M | 49.6 | Very low | 49.1 | Very low | 181 Ų | 181 | 140.1 Ų | 140.1 | 89% | 0.892 | 83% | 0.827 | S | S | * | * | trans | -145.4 | 98.8 | 152.8 | -82.6 | 178 | 76.7 | 0 | 0 | 108.4 | ||||
| 181 | T | 53.7 | Low | 48.3 | Very low | 130 Ų | 130 | 143 Ų | 143 | 80% | 0.798 | 83% | 0.83 | S | S | * | * | trans | -84.6 | 159.1 | 138.3 | 52.6 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 182 | P | 50.8 | Low | 49 | Very low | 113 Ų | 113 | 142.2 Ų | 142.2 | 73% | 0.734 | 82% | 0.816 | S | S | * | * | cis | -147.2 | 179.8 | 34.1 | 37.8 | -14.9 | 0 | 0 | 0 | 116.5 | ||||
| 183 | N | 42.5 | Very low | 48.4 | Very low | 152 Ų | 152 | 144.8 Ų | 144.8 | 81% | 0.813 | 82% | 0.817 | S | S | * | * | trans | 91 | 135.5 | 137.3 | -132.4 | -3.7 | 0 | 0 | 0 | 119.9 | ||||
| 184 | R | 45 | Very low | 48.2 | Very low | 225 Ų | 225 | 139.2 Ų | 139.2 | 85% | 0.849 | 80% | 0.803 | S | S | * | * | trans | 102.8 | 97 | 139.5 | -142.4 | 172.4 | -167.8 | -165.6 | 1.9 | 118 | ||||
| 185 | S | 44.3 | Very low | 48.2 | Very low | 114 Ų | 114 | 140.1 Ų | 140.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -64.2 | 156.5 | 154.9 | -43 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 186 | P | 55.3 | Low | 47.7 | Very low | 120 Ų | 120 | 137.5 Ų | 137.5 | 78% | 0.779 | 80% | 0.796 | S | S | * | * | -133.8 | 129.5 | 123.8 | 33.4 | -20.1 | 0 | 0 | 0 | 110 | |||||
| 187 | A | 47 | Very low | 47.8 | Very low | 103 Ų | 103 | 136.2 Ų | 136.2 | 85% | 0.851 | 79% | 0.792 | S | S | * | * | 58.8 | 114.1 | 79.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 188 | G | 45.1 | Very low | 46.9 | Very low | 87 Ų | 87 | 134.9 Ų | 134.9 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | 134.3 | 117.4 | 150.2 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 189 | G | 44 | Very low | 46.7 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | 129.6 | 73.3 | 162 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 190 | M | 49.3 | Very low | 46.6 | Very low | 195 Ų | 195 | 137.4 Ų | 137.4 | 96% | 0.961 | 78% | 0.781 | S | S | * | * | 72.4 | 100.8 | 90.8 | -70.7 | -173.2 | 175.8 | 0 | 0 | 115.3 | |||||
| 191 | E | 41.9 | Very low | 46.1 | Very low | 182 Ų | 182 | 138.2 Ų | 138.2 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -81.9 | -168 | 153.4 | -129 | -158.8 | 172.9 | 0 | 0 | 109.2 | ||||
| 192 | P | 56.8 | Low | 45.6 | Very low | 84 Ų | 84 | 136.9 Ų | 136.9 | 55% | 0.545 | 77% | 0.771 | S | S | . | * | cis | -140.3 | -149.6 | -14.7 | 32.3 | -6.9 | 0 | 0 | 0 | 113.1 | ||||
| 193 | Y | 41.6 | Very low | 45.5 | Very low | 213 Ų | 213 | 142.8 Ų | 142.8 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | 100.5 | 132.3 | 175.4 | -66.3 | -77.8 | 0 | 0 | 0 | 114 | ||||
| 194 | A | 44.5 | Very low | 45.6 | Very low | 69 Ų | 69 | 146.7 Ų | 146.7 | 57% | 0.57 | 78% | 0.782 | S | S | * | * | cis | -179.7 | 148.8 | 8.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 195 | H | 51.5 | Low | 46.2 | Very low | 148 Ų | 148 | 141.9 Ų | 141.9 | 69% | 0.685 | 78% | 0.78 | S | S | * | * | trans | 55.5 | 109.9 | 137.2 | -55.9 | -56.4 | 0 | 0 | 0 | 119.9 | ||||
| 196 | E | 37.2 | Very low | 46.8 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 78% | 0.781 | S | S | * | * | 96.1 | 134.6 | 81.7 | -107.4 | 176.9 | 126 | 0 | 0 | 113.3 | |||||
| 197 | A | 44.8 | Very low | 47 | Very low | 88 Ų | 88 | 143.5 Ų | 143.5 | 73% | 0.727 | 78% | 0.778 | S | S | * | * | trans | 141.7 | 105 | 132.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 198 | S | 44.3 | Very low | 47.9 | Very low | 94 Ų | 94 | 144.9 Ų | 144.9 | 66% | 0.657 | 78% | 0.779 | S | S | * | * | 63.3 | 118.5 | 129.6 | 55.7 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 199 | Q | 46.5 | Very low | 47.8 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.743 | 78% | 0.776 | S | S | * | * | 58.1 | 121.2 | 121.7 | -54.8 | -175 | 56.5 | 0 | 0 | 118.7 | |||||
| 200 | Q | 43.2 | Very low | 47.8 | Very low | 177 Ų | 177 | 150.6 Ų | 150.6 | 83% | 0.827 | 77% | 0.774 | S | S | * | * | 173.9 | 117.4 | 107.1 | -91.4 | 178.9 | -18.1 | 0 | 0 | 112.5 | |||||
| 201 | Y | 37.9 | Very low | 47.7 | Very low | 199 Ų | 199 | 145.7 Ų | 145.7 | 78% | 0.78 | 76% | 0.756 | S | S | * | * | trans | 26.7 | 134.9 | 140 | -64.1 | -82.5 | 0 | 0 | 0 | 122.8 | ||||
| 202 | S | 44.9 | Very low | 47.8 | Very low | 101 Ų | 101 | 145.8 Ų | 145.8 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 81.8 | 106.3 | 140.5 | -62.7 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 203 | R | 48.3 | Very low | 47 | Very low | 238 Ų | 238 | 145.1 Ų | 145.1 | 90% | 0.898 | 77% | 0.765 | S | S | * | * | 168.3 | 107.5 | 107.4 | -76.1 | -105 | -177.9 | -140.8 | -0.7 | 109.5 | |||||
| 204 | R | 44.4 | Very low | 47.1 | Very low | 234 Ų | 234 | 146.5 Ų | 146.5 | 88% | 0.883 | 77% | 0.77 | S | S | * | * | trans | -73 | 148.1 | 158.7 | -80 | -177.4 | 171.6 | -144.7 | -0.3 | 109.4 | ||||
| 205 | P | 56.6 | Low | 46.7 | Very low | 124 Ų | 124 | 147.2 Ų | 147.2 | 81% | 0.805 | 78% | 0.784 | S | S | * | * | trans | -106.4 | 129.5 | 147.7 | 0.1 | 20.5 | 0 | 0 | 0 | 110.6 | ||||
| 206 | L | 56.8 | Low | 46.2 | Very low | 157 Ų | 157 | 143.8 Ų | 143.8 | 82% | 0.822 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -74.6 | 150.1 | 166.4 | -79.4 | 139.4 | 0 | 0 | 0 | 110.3 | ||
| 207 | P | 61.3 | Low | 46.3 | Very low | 110 Ų | 110 | 147.2 Ų | 147.2 | 71% | 0.714 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 150.6 | 167.8 | 34.6 | -30.1 | 0 | 0 | 0 | 111 | ||
| 208 | P | 65.6 | Low | 46.2 | Very low | 133 Ų | 133 | 146 Ų | 146 | 86% | 0.864 | 79% | 0.791 | S | S | * | * | P | Polyproline II helix | trans | -78.2 | 143.9 | 179.6 | 30.9 | -32.7 | 0 | 0 | 0 | 112.7 | ||
| 209 | E | 42.5 | Very low | 46.1 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 83% | 0.827 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -78.5 | 158.2 | 173.2 | -65 | -172.4 | 135.9 | 0 | 0 | 113.3 | ||
| 210 | S | 43.5 | Very low | 45.9 | Very low | 102 Ų | 102 | 149.1 Ų | 149.1 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | 85.4 | 157.7 | 141.9 | -72.2 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 211 | P | 47.7 | Very low | 45.9 | Very low | 92 Ų | 92 | 149.2 Ų | 149.2 | 60% | 0.597 | 80% | 0.799 | S | S | * | * | -135.5 | -179.9 | -63.3 | 26.6 | -4.1 | 0 | 0 | 0 | 112.4 | |||||
| 212 | H | 44.4 | Very low | 46.2 | Very low | 185 Ų | 185 | 147.6 Ų | 147.6 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | trans | 81.1 | 125 | 165.5 | -47.2 | -66.8 | 0 | 0 | 0 | 118.4 | ||||
| 213 | G | 39.9 | Very low | 45.9 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 80% | 0.804 | S | S | * | * | trans | 162 | 85.9 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 214 | Y | 43.8 | Very low | 45.7 | Very low | 242 Ų | 242 | 143 Ų | 143 | 95% | 0.949 | 80% | 0.804 | S | S | * | * | trans | 39.5 | 117.4 | 141.9 | -87.4 | -96.7 | 0 | 0 | 0 | 120.9 | ||||
| 215 | G | 36.4 | Very low | 45.4 | Very low | 83 Ų | 83 | 135.7 Ų | 135.7 | 86% | 0.856 | 80% | 0.803 | S | S | * | * | 80.8 | 106.5 | 125.9 | 0 | 0 | 0 | 0 | 0 | 117.8 | |||||
| 216 | G | 39.6 | Very low | 44.5 | Very low | 76 Ų | 76 | 133.2 Ų | 133.2 | 78% | 0.784 | 80% | 0.8 | S | S | * | * | trans | -178.2 | 77.9 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | G218 | G216-G218 PolarHBondContact O-N 2.77Š| ||
| 217 | Y | 39.3 | Very low | 43.9 | Very low | 251 Ų | 251 | 132.8 Ų | 132.8 | 98% | 0.984 | 80% | 0.803 | S | S | * | * | trans | -67.8 | 99.3 | 163.8 | -68.3 | -81.5 | 0 | 0 | 0 | 108.1 | ||||
| 218 | G | 43.4 | Very low | 43.1 | Very low | 61 Ų | 61 | 134 Ų | 134 | 63% | 0.629 | 81% | 0.808 | S | S | * | * | trans | -139.5 | 104 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | G216 | G216-G218 PolarHBondContact O-N 2.77Š| ||
| 219 | Q | 42.1 | Very low | 42.1 | Very low | 156 Ų | 156 | 133.3 Ų | 133.3 | 73% | 0.729 | 81% | 0.806 | S | S | * | * | trans | 58 | 92.6 | 150.7 | -54.9 | -154 | 0.3 | 0 | 0 | 119.1 | K221 | Q219-K221 PolarHBondContact O-N 3.22Å; Q219-K221 VanDerWaalsContact O-N 3.16Å | ||
| 220 | N | 42.3 | Very low | 42 | Very low | 163 Ų | 163 | 128.1 Ų | 128.1 | 87% | 0.872 | 80% | 0.801 | S | S | * | * | trans | -78.8 | 89.8 | 149.9 | -73.7 | -22.2 | 0 | 0 | 0 | 109.3 | L222 | N220-L222 PolarHBondContact O-N 2.74Š| ||
| 221 | K | 44.2 | Very low | 42.2 | Very low | 180 Ų | 180 | 129 Ų | 129 | 78% | 0.783 | 81% | 0.806 | S | S | * | * | trans | -83.3 | 93.2 | 154.8 | -78 | -169.8 | 178.9 | -169 | 0 | 107.8 | Q219 | Q219-K221 PolarHBondContact O-N 3.22Å; Q219-K221 VanDerWaalsContact O-N 3.16Å | ||
| 222 | L | 43.4 | Very low | 42.6 | Very low | 165 Ų | 165 | 130.6 Ų | 130.6 | 86% | 0.864 | 82% | 0.817 | S | S | * | * | trans | -94.3 | 102.7 | 160.5 | -86 | 157.8 | 0 | 0 | 0 | 107.4 | N220 | N220-L222 PolarHBondContact O-N 2.74Š| ||
| 223 | G | 37.9 | Very low | 42.4 | Very low | 71 Ų | 71 | 129.9 Ų | 129.9 | 73% | 0.732 | 82% | 0.819 | S | S | * | * | trans | -69.9 | 136.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 224 | N | 44.4 | Very low | 42.2 | Very low | 170 Ų | 170 | 135.5 Ų | 135.5 | 91% | 0.909 | 83% | 0.826 | S | S | * | * | trans | -134.8 | 123.4 | 159.8 | -118.5 | -8 | 0 | 0 | 0 | 108.6 | ||||
| 225 | G | 38.7 | Very low | 41.8 | Very low | 82 Ų | 82 | 132 Ų | 132 | 85% | 0.845 | 82% | 0.823 | S | S | * | * | trans | -68.6 | 147 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 226 | G | 37.7 | Very low | 42.1 | Very low | 72 Ų | 72 | 134.1 Ų | 134.1 | 74% | 0.742 | 82% | 0.819 | S | S | * | * | trans | -156 | 117.8 | 175.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 227 | V | 44.5 | Very low | 41.9 | Very low | 147 Ų | 147 | 136 Ų | 136 | 89% | 0.891 | 82% | 0.82 | S | S | * | * | trans | -70.7 | 135 | -161.8 | -176 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 228 | V | 44.8 | Very low | 42.1 | Very low | 137 Ų | 137 | 133 Ų | 133 | 83% | 0.83 | 82% | 0.815 | S | S | * | * | trans | -81.2 | 116 | 168.9 | -179.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 229 | S | 44.4 | Very low | 41.7 | Very low | 117 Ų | 117 | 134 Ų | 134 | 82% | 0.818 | 83% | 0.825 | S | S | * | * | trans | -103.1 | 109 | 161.8 | 54.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 230 | G | 40.4 | Very low | 41.4 | Very low | 69 Ų | 69 | 130.2 Ų | 130.2 | 71% | 0.711 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -79.6 | 150.3 | 170.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||
| 231 | S | 47.6 | Very low | 41.2 | Very low | 119 Ų | 119 | 134.2 Ų | 134.2 | 83% | 0.832 | 83% | 0.831 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 144.2 | 178.5 | -45.7 | 0 | 0 | 0 | 0 | 113.6 | ||
| 232 | P | 55.4 | Low | 40.9 | Very low | 127 Ų | 127 | 132.8 Ų | 132.8 | 83% | 0.825 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -83.3 | 134 | 163 | 30.7 | -27.7 | 0 | 0 | 0 | 111.1 | ||
| 233 | L | 40 | Very low | 40.5 | Very low | 170 Ų | 170 | 136.4 Ų | 136.4 | 89% | 0.89 | 84% | 0.84 | S | S | * | * | P | Polyproline II helix | trans | -49.4 | 136.1 | 169.3 | -75.1 | 155 | 0 | 0 | 0 | 112 | L235 | L233-L235 PolarHBondContact O-N 2.91Š|
| 234 | Q | 36.1 | Very low | 40.5 | Very low | 187 Ų | 187 | 136.3 Ų | 136.3 | 87% | 0.874 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -69.3 | 122.5 | 159 | -65.3 | -173.3 | 14.2 | 0 | 0 | 108.4 | ||
| 235 | L | 36.1 | Very low | 40.2 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 89% | 0.89 | 83% | 0.828 | S | S | * | * | trans | -124.9 | 122.9 | 160.3 | -153.4 | 78.3 | 0 | 0 | 0 | 109.2 | L233 | L233-L235 PolarHBondContact O-N 2.91Š| ||
| 236 | V | 41.2 | Very low | 40 | Very low | 126 Ų | 126 | 138.4 Ų | 138.4 | 76% | 0.764 | 82% | 0.822 | S | S | * | * | trans | -59 | 130.6 | -179.2 | 166.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 237 | S | 36.8 | Very low | 39.9 | Very low | 115 Ų | 115 | 139.9 Ų | 139.9 | 80% | 0.804 | 83% | 0.828 | S | S | * | * | trans | -80.8 | 116.6 | 168.4 | 177.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 238 | Q | 42.2 | Very low | 39.7 | Very low | 188 Ų | 188 | 138.6 Ų | 138.6 | 88% | 0.879 | 82% | 0.82 | S | S | * | * | trans | -125.2 | 130 | 152.9 | -89.8 | -164.7 | -1 | 0 | 0 | 108.6 | ||||
| 239 | G | 35.8 | Very low | 39.5 | Very low | 82 Ų | 82 | 140 Ų | 140 | 85% | 0.845 | 82% | 0.822 | S | S | * | * | trans | -70.6 | 157 | -170.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 240 | G | 36.4 | Very low | 39.3 | Very low | 77 Ų | 77 | 141.8 Ų | 141.8 | 79% | 0.794 | 82% | 0.823 | S | S | * | * | trans | -174 | 102.2 | 172 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 241 | R | 36.2 | Very low | 39.4 | Very low | 247 Ų | 247 | 143.4 Ų | 143.4 | 93% | 0.932 | 82% | 0.824 | S | S | * | * | trans | -61.4 | 138.5 | 176.8 | -65.1 | 166 | 155.6 | -179.6 | -7.2 | 110.7 | ||||
| 242 | T | 39.6 | Very low | 39.1 | Very low | 151 Ų | 151 | 145.8 Ų | 145.8 | 93% | 0.926 | 83% | 0.826 | S | S | * | * | -163.4 | 149.9 | 128.4 | 34.6 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 243 | R | 34.1 | Very low | 38.2 | Very low | 241 Ų | 241 | 145.7 Ų | 145.7 | 91% | 0.909 | 83% | 0.828 | S | S | * | * | trans | -101.7 | 157.7 | -157.8 | -173.2 | -177 | 178.8 | 172.2 | -0.3 | 110.5 | ||||
| 244 | A | 38.6 | Very low | 38.4 | Very low | 69 Ų | 69 | 141.6 Ų | 141.6 | 57% | 0.57 | 82% | 0.819 | S | S | * | * | trans | 93 | 146.3 | 149.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 245 | H | 37.1 | Very low | 38.9 | Very low | 174 Ų | 174 | 138.3 Ų | 138.3 | 81% | 0.806 | 81% | 0.814 | S | S | * | * | cis | -149.6 | 140.7 | 9.5 | -86.6 | -83.6 | 0 | 0 | 0 | 110.5 | ||||
| 246 | V | 34.5 | Very low | 39.6 | Very low | 122 Ų | 122 | 135.9 Ų | 135.9 | 74% | 0.739 | 81% | 0.808 | S | S | * | * | trans | 40.9 | 117.9 | 136 | -168.3 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 247 | A | 36.8 | Very low | 39.6 | Very low | 103 Ų | 103 | 133.3 Ų | 133.3 | 85% | 0.851 | 80% | 0.8 | S | S | * | * | -148.9 | 121.4 | 127.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 248 | V | 38.9 | Very low | 39.8 | Very low | 119 Ų | 119 | 134.4 Ų | 134.4 | 72% | 0.721 | 80% | 0.802 | S | S | * | * | trans | -71.6 | 138.4 | 176.3 | -91.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 249 | N | 42.3 | Very low | 39.6 | Very low | 166 Ų | 166 | 134.7 Ų | 134.7 | 89% | 0.888 | 80% | 0.796 | S | S | * | * | trans | -151.5 | 102.8 | 144.4 | -94.5 | -17.5 | 0 | 0 | 0 | 108.2 | ||||
| 250 | D | 38.4 | Very low | 39.7 | Very low | 155 Ų | 155 | 138.4 Ų | 138.4 | 83% | 0.829 | 80% | 0.796 | S | S | * | * | trans | -57.4 | 124.9 | 162.1 | -83.1 | -44 | 0 | 0 | 0 | 109.9 | ||||
| 251 | S | 43.4 | Very low | 40 | Very low | 104 Ų | 104 | 141.3 Ų | 141.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -173.9 | 109.7 | 131.7 | 14.8 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 252 | L | 40.8 | Very low | 40.2 | Very low | 168 Ų | 168 | 135 Ų | 135 | 88% | 0.88 | 78% | 0.783 | S | S | * | * | trans | 61.4 | 128.2 | 139.2 | -74.9 | 81.3 | 0 | 0 | 0 | 121.2 | ||||
| 253 | S | 36.6 | Very low | 39.9 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 87% | 0.874 | 78% | 0.776 | S | S | * | * | trans | 99.4 | 110.7 | 143.4 | -148.4 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 254 | A | 44.2 | Very low | 40.1 | Very low | 85 Ų | 85 | 132.2 Ų | 132.2 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -56.2 | 153.7 | -171 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 255 | P | 47.5 | Very low | 40.1 | Very low | 117 Ų | 117 | 134 Ų | 134 | 76% | 0.76 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 146 | 172.6 | 27.7 | -34.3 | 0 | 0 | 0 | 110.7 | A257 | P255-A257 PolarHBondContact O-N 3.24Å; P255-A257 VanDerWaalsContact O-N 3.15Å |
| 256 | P | 50.6 | Low | 40.6 | Very low | 119 Ų | 119 | 132.3 Ų | 132.3 | 77% | 0.773 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 119 | -177.5 | 25.6 | -33.2 | 0 | 0 | 0 | 110.8 | V258 | P256-V258 PolarHBondContact O-N 3.23Š|
| 257 | A | 40.9 | Very low | 41.2 | Very low | 72 Ų | 72 | 134.2 Ų | 134.2 | 60% | 0.595 | 79% | 0.785 | S | S | * | * | trans | -71.1 | 114.2 | 166.8 | 0 | 0 | 0 | 0 | 0 | 108.9 | P255 Y259 | P255-A257 PolarHBondContact O-N 3.24Å; P255-A257 VanDerWaalsContact O-N 3.15Å; A257-Y259 HydrophobicContact CB-CD2 4.42Å; A257-Y259 HydrophobicContact CB-CE2 3.87Å | ||
| 258 | V | 40.3 | Very low | 41.8 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 84% | 0.842 | 79% | 0.787 | S | S | * | * | trans | -89.7 | 106.5 | 173.5 | -170.8 | 0 | 0 | 0 | 0 | 107.7 | P256 | P256-V258 PolarHBondContact O-N 3.23Š| ||
| 259 | Y | 39.3 | Very low | 42.5 | Very low | 194 Ų | 194 | 143.7 Ų | 143.7 | 76% | 0.761 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -82 | 127.7 | 172.8 | -70 | -88.1 | 0 | 0 | 0 | 109.7 | A257 V261 | A257-Y259 HydrophobicContact CB-CD2 4.42Å; A257-Y259 HydrophobicContact CB-CE2 3.87Å; Y259-V261 PolarHBondContact O-N 3.44Å |
| 260 | L | 37.6 | Very low | 42.7 | Very low | 160 Ų | 160 | 144.3 Ų | 144.3 | 84% | 0.838 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -64.9 | 118.4 | 166.2 | -116.4 | 97 | 0 | 0 | 0 | 108 | ||
| 261 | V | 43 | Very low | 43.2 | Very low | 137 Ų | 137 | 144.6 Ų | 144.6 | 83% | 0.83 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -95.5 | 116.5 | 163.8 | -174.5 | 0 | 0 | 0 | 0 | 107.3 | Y259 | Y259-V261 PolarHBondContact O-N 3.44Š|
| 262 | D | 39.7 | Very low | 43.3 | Very low | 115 Ų | 115 | 146.6 Ų | 146.6 | 62% | 0.615 | 79% | 0.79 | S | S | * | * | P | Polyproline II helix | trans | -66.4 | 140.7 | -178 | -91.2 | -41.4 | 0 | 0 | 0 | 113.3 | ||
| 263 | Q | 32.5 | Very low | 43.4 | Very low | 169 Ų | 169 | 145.7 Ų | 145.7 | 79% | 0.79 | 79% | 0.785 | S | S | * | * | trans | 48.2 | 93.2 | 143.9 | -57.6 | -172.6 | 65.9 | 0 | 0 | 118.7 | ||||
| 264 | L | 40.1 | Very low | 43.9 | Very low | 165 Ų | 165 | 145.3 Ų | 145.3 | 86% | 0.864 | 78% | 0.777 | S | S | * | * | trans | -124.1 | 94.3 | 148.7 | -69.7 | 172.8 | 0 | 0 | 0 | 109.2 | N266 | L264-N266 PolarHBondContact O-N 2.94Š| ||
| 265 | S | 37.3 | Very low | 43.8 | Very low | 106 Ų | 106 | 147 Ų | 147 | 74% | 0.741 | 78% | 0.779 | S | S | * | * | trans | -43.6 | 118.3 | 156.1 | 165.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 266 | N | 47.4 | Very low | 43.4 | Very low | 139 Ų | 139 | 145.9 Ų | 145.9 | 74% | 0.743 | 77% | 0.774 | S | S | * | * | trans | -171.4 | 67.1 | 161.7 | -84.5 | -35.2 | 0 | 0 | 0 | 109.7 | L264 | L264-N266 PolarHBondContact O-N 2.94Š| ||
| 267 | N | 47.6 | Very low | 42.9 | Very low | 161 Ų | 161 | 145.1 Ų | 145.1 | 86% | 0.861 | 78% | 0.778 | S | S | * | * | trans | -91.9 | 11.8 | -179.2 | -60.8 | -13.8 | 0 | 0 | 0 | 113.5 | ||||
| 268 | E | 50.7 | Low | 42.7 | Very low | 190 Ų | 190 | 146.4 Ų | 146.4 | 89% | 0.888 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -118.3 | 16.9 | -163.8 | -63.3 | -160.8 | 146.7 | 0 | 0 | 116.4 | ||
| 269 | R | 52.3 | Low | 42.6 | Very low | 232 Ų | 232 | 148.3 Ų | 148.3 | 88% | 0.875 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -125.5 | 9.3 | -178.3 | -98.9 | -171.7 | 178.1 | -163 | 0.4 | 117.2 | ||
| 270 | F | 47 | Very low | 42.8 | Very low | 179 Ų | 179 | 145.9 Ų | 145.9 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -93.5 | -2.9 | -170.1 | -108.1 | -87.2 | 0 | 0 | 0 | 116.4 | ||
| 271 | M | 49.3 | Very low | 43.2 | Very low | 161 Ų | 161 | 144.8 Ų | 144.8 | 79% | 0.793 | 78% | 0.782 | S | S | * | * | S | Bend | trans | -103.3 | -13.5 | -177.4 | -67 | -62.3 | -75.8 | 0 | 0 | 115.1 | ||
| 272 | D | 44 | Very low | 43.1 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 78% | 0.777 | S | S | * | * | S | Bend | trans | -90.5 | -12.8 | -177.7 | -78.5 | -11 | 0 | 0 | 0 | 114.5 | ||
| 273 | L | 43.2 | Very low | 43.4 | Very low | 149 Ų | 149 | 145.1 Ų | 145.1 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -99 | -10.1 | -177 | -147.5 | 73.3 | 0 | 0 | 0 | 113.9 | ||
| 274 | V | 47.6 | Very low | 43.6 | Very low | 117 Ų | 117 | 142.1 Ų | 142.1 | 71% | 0.709 | 79% | 0.788 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -0.4 | -176.6 | -170.7 | 0 | 0 | 0 | 0 | 111.9 | ||
| 275 | T | 41.8 | Very low | 43.5 | Very low | 121 Ų | 121 | 137.5 Ų | 137.5 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.4 | 8.1 | 179.5 | -47.6 | 0 | 0 | 0 | 0 | 113.3 | ||
| 276 | S | 39.3 | Very low | 44 | Very low | 92 Ų | 92 | 141.5 Ų | 141.5 | 64% | 0.643 | 79% | 0.788 | S | S | * | * | S | Bend | trans | -117.4 | 10.6 | -170.2 | -36.3 | 0 | 0 | 0 | 0 | 116.1 | ||
| 277 | A | 41 | Very low | 44 | Very low | 103 Ų | 103 | 141.7 Ų | 141.7 | 85% | 0.851 | 79% | 0.788 | S | S | * | * | trans | -116.1 | 64.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 278 | S | 35.7 | Very low | 43.7 | Very low | 99 Ų | 99 | 141.2 Ų | 141.2 | 69% | 0.692 | 78% | 0.781 | S | S | * | * | trans | -137.2 | 80.3 | 167.6 | 62.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 279 | E | 38.4 | Very low | 43.4 | Very low | 180 Ų | 180 | 138.9 Ų | 138.9 | 84% | 0.841 | 77% | 0.774 | S | S | * | * | trans | -174.8 | 82.2 | 161.5 | -106.7 | 164.3 | -150.7 | 0 | 0 | 109.2 | ||||
| 280 | T | 43.9 | Very low | 43.1 | Very low | 143 Ų | 143 | 135.8 Ų | 135.8 | 88% | 0.877 | 77% | 0.773 | S | S | * | * | trans | -99.3 | 99.7 | 160.3 | 54.4 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 281 | N | 45.5 | Very low | 42.8 | Very low | 136 Ų | 136 | 134.2 Ų | 134.2 | 73% | 0.727 | 77% | 0.772 | S | S | * | * | trans | -68.8 | 137.1 | 170.5 | -86 | -48.4 | 0 | 0 | 0 | 110.5 | ||||
| 282 | P | 42 | Very low | 42.3 | Very low | 110 Ų | 110 | 133.9 Ų | 133.9 | 71% | 0.714 | 77% | 0.773 | S | S | * | * | trans | -85.9 | 115.3 | 171.3 | 32.9 | -27.3 | 0 | 0 | 0 | 109.2 | S284 | P282-S284 PolarHBondContact O-N 2.87Š| ||
| 283 | V | 45.3 | Very low | 42.5 | Very low | 149 Ų | 149 | 132.2 Ų | 132.2 | 90% | 0.903 | 78% | 0.78 | S | S | * | * | trans | -86.5 | 95.8 | 169.6 | 179.4 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 284 | S | 36.5 | Very low | 42.5 | Very low | 106 Ų | 106 | 133.7 Ų | 133.7 | 74% | 0.741 | 78% | 0.78 | S | S | * | * | trans | -119.8 | 124.8 | 165.8 | 53.9 | 0 | 0 | 0 | 0 | 108.6 | P282 | P282-S284 PolarHBondContact O-N 2.87Š| ||
| 285 | G | 38.2 | Very low | 42.6 | Very low | 68 Ų | 68 | 135.8 Ų | 135.8 | 70% | 0.701 | 79% | 0.786 | S | S | * | * | trans | 122.5 | 115.3 | 163.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 286 | E | 47.9 | Very low | 42.5 | Very low | 191 Ų | 191 | 137.6 Ų | 137.6 | 89% | 0.893 | 79% | 0.786 | S | S | * | * | trans | 149.4 | 79.6 | 148.5 | -82.8 | -179.8 | -175.5 | 0 | 0 | 108.2 | ||||
| 287 | L | 46.3 | Very low | 42.4 | Very low | 142 Ų | 142 | 138.5 Ų | 138.5 | 74% | 0.743 | 79% | 0.792 | S | S | * | * | 53.4 | 95.6 | 82.7 | -82 | 161.2 | 0 | 0 | 0 | 114.4 | |||||
| 288 | E | 41.6 | Very low | 42.3 | Very low | 152 Ų | 152 | 139.9 Ų | 139.9 | 71% | 0.71 | 79% | 0.793 | S | S | * | * | 71 | 143.6 | 128.1 | -62.3 | -178.5 | -158.5 | 0 | 0 | 121.9 | |||||
| 289 | N | 44.2 | Very low | 42.3 | Very low | 141 Ų | 141 | 140.5 Ų | 140.5 | 75% | 0.754 | 80% | 0.797 | S | S | * | * | trans | 90.9 | 108.1 | 165.1 | -51.8 | -40.5 | 0 | 0 | 0 | 116.2 | ||||
| 290 | I | 45.8 | Very low | 42.6 | Very low | 166 Ų | 166 | 137.1 Ų | 137.1 | 85% | 0.851 | 79% | 0.791 | S | S | * | * | -173.7 | 109.9 | 104.6 | -82 | 147.3 | 0 | 0 | 0 | 107.6 | |||||
| 291 | I | 40.6 | Very low | 42.4 | Very low | 147 Ų | 147 | 136.3 Ų | 136.3 | 75% | 0.754 | 79% | 0.791 | S | S | * | * | trans | -87.4 | 156.5 | 166.2 | -65 | 168.8 | 0 | 0 | 0 | 107 | ||||
| 292 | D | 39.4 | Very low | 42 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 79% | 0.793 | S | S | * | * | trans | 88.1 | 103.7 | 167.4 | -59.3 | -39.2 | 0 | 0 | 0 | 119.3 | ||||
| 293 | A | 48.3 | Very low | 42 | Very low | 112 Ų | 112 | 138 Ų | 138 | 93% | 0.926 | 80% | 0.801 | S | S | * | * | -171.5 | 133.8 | 118.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 294 | K | 44.2 | Very low | 41.4 | Very low | 179 Ų | 179 | 138.2 Ų | 138.2 | 78% | 0.778 | 80% | 0.796 | S | S | * | * | trans | -95.1 | 131.8 | -170.9 | 167.7 | 175.9 | -178.5 | -74.6 | 0 | 110.7 | ||||
| 295 | L | 47.9 | Very low | 41.7 | Very low | 161 Ų | 161 | 139.5 Ų | 139.5 | 84% | 0.843 | 80% | 0.799 | S | S | * | * | trans | -169.9 | 98.3 | 158.6 | -103.8 | 129.6 | 0 | 0 | 0 | 108.9 | ||||
| 296 | E | 41.2 | Very low | 41.6 | Very low | 159 Ų | 159 | 143.8 Ų | 143.8 | 74% | 0.743 | 80% | 0.801 | S | S | * | * | 94 | 105.7 | 90.2 | -146.8 | 92.7 | -163.9 | 0 | 0 | 111.6 | |||||
| 297 | S | 37.5 | Very low | 41.2 | Very low | 111 Ų | 111 | 143.2 Ų | 143.2 | 78% | 0.776 | 80% | 0.797 | S | S | * | * | trans | -78.3 | 160.4 | 175.7 | 54.7 | 0 | 0 | 0 | 0 | 113 | ||||
| 298 | P | 39.1 | Very low | 40.7 | Very low | 132 Ų | 132 | 146.3 Ų | 146.3 | 86% | 0.857 | 81% | 0.805 | S | S | * | * | -143.2 | 155.2 | 121.5 | 32.3 | -14.6 | 0 | 0 | 0 | 115.5 | |||||
| 299 | S | 34.7 | Very low | 40.6 | Very low | 112 Ų | 112 | 146.6 Ų | 146.6 | 78% | 0.783 | 81% | 0.811 | S | S | * | * | trans | -119.7 | 179.6 | 179.1 | 178.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 300 | P | 45 | Very low | 40.3 | Very low | 109 Ų | 109 | 147.7 Ų | 147.7 | 71% | 0.708 | 81% | 0.812 | S | S | * | * | cis | -122.5 | 159.3 | -47.9 | 29.7 | -13.6 | 0 | 0 | 0 | 111.7 | ||||
| 301 | S | 40.2 | Very low | 40.2 | Very low | 126 Ų | 126 | 144.2 Ų | 144.2 | 88% | 0.881 | 81% | 0.808 | S | S | * | * | trans | -155.6 | 128.6 | 156.5 | -71.2 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 302 | S | 36 | Very low | 40.4 | Very low | 111 Ų | 111 | 144.9 Ų | 144.9 | 78% | 0.776 | 81% | 0.806 | S | S | * | * | trans | -45.9 | 133.5 | -177.2 | 50.8 | 0 | 0 | 0 | 0 | 118 | ||||
| 303 | I | 42.4 | Very low | 40.5 | Very low | 172 Ų | 172 | 148.2 Ų | 148.2 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | -137 | 126.3 | 135.6 | -60.9 | -175.9 | 0 | 0 | 0 | 108.3 | ||||
| 304 | L | 31.8 | Very low | 40.2 | Very low | 153 Ų | 153 | 147.3 Ų | 147.3 | 80% | 0.801 | 79% | 0.791 | S | S | * | * | trans | -102.9 | 109.9 | -176.4 | 175.7 | 132.8 | 0 | 0 | 0 | 108.4 | ||||
| 305 | V | 44.5 | Very low | 40 | Very low | 133 Ų | 133 | 149.5 Ų | 149.5 | 81% | 0.806 | 80% | 0.796 | S | S | * | * | trans | -154.5 | 135.5 | 148.7 | -175.1 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 306 | H | 34.3 | Very low | 39.8 | Very low | 158 Ų | 158 | 149.8 Ų | 149.8 | 73% | 0.731 | 79% | 0.793 | S | S | * | * | trans | -46.4 | 139.8 | -172.3 | -74.1 | -96.2 | 0 | 0 | 0 | 119.1 | ||||
| 307 | H | 40 | Very low | 39.7 | Very low | 178 Ų | 178 | 149.8 Ų | 149.8 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | 178.8 | 97.2 | 112.8 | -84.8 | -71.1 | 0 | 0 | 0 | 108.5 | N309 | H307-N309 PolarHBondContact O-N 3.14Š| |||
| 308 | K | 35.7 | Very low | 40.1 | Very low | 208 Ų | 208 | 148.3 Ų | 148.3 | 90% | 0.904 | 79% | 0.792 | S | S | * | * | trans | -90.4 | 92.3 | -179.3 | -71.7 | -178.4 | 176.3 | 179.1 | 0 | 110.6 | ||||
| 309 | N | 39.8 | Very low | 40.3 | Very low | 157 Ų | 157 | 149 Ų | 149 | 84% | 0.84 | 79% | 0.789 | S | S | * | * | trans | -119.1 | 72.3 | 167.3 | -70.3 | 1.5 | 0 | 0 | 0 | 109.9 | H307 | H307-N309 PolarHBondContact O-N 3.14Š| ||
| 310 | E | 37.5 | Very low | 40.9 | Very low | 164 Ų | 164 | 152.7 Ų | 152.7 | 77% | 0.766 | 79% | 0.794 | S | S | * | * | trans | -91 | 104.4 | 163.3 | -81.5 | -174.7 | 177.6 | 0 | 0 | 109 | K312 | E310-K312 PolarHBondContact O-N 3.06Š| ||
| 311 | A | 45.1 | Very low | 41.1 | Very low | 94 Ų | 94 | 153.2 Ų | 153.2 | 78% | 0.777 | 80% | 0.795 | S | S | * | * | trans | -74.1 | 87.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 312 | K | 43.7 | Very low | 41.5 | Very low | 160 Ų | 160 | 153.5 Ų | 153.5 | 70% | 0.696 | 79% | 0.794 | S | S | * | * | trans | -80.7 | 118 | 160.9 | -70.1 | -177.8 | -180 | 178 | 0 | 108.1 | E310 V314 | E310-K312 PolarHBondContact O-N 3.06Å; K312-V314 VanDerWaalsContact C-N 3.35Å; K312-V314 HydrophobicContact CB-CG2 4.17Å; K312-V314 PolarHBondContact O-N 3.31Å | ||
| 313 | Y | 41.8 | Very low | 42 | Very low | 224 Ų | 224 | 158.3 Ų | 158.3 | 88% | 0.878 | 80% | 0.795 | S | S | * | * | trans | -67.4 | 94.5 | 169.8 | -72.7 | -83.3 | 0 | 0 | 0 | 109 | ||||
| 314 | V | 41.1 | Very low | 42.5 | Very low | 92 Ų | 92 | 156.4 Ų | 156.4 | 56% | 0.558 | 79% | 0.792 | S | S | * | * | trans | -111 | 110.6 | 171 | -178.5 | 0 | 0 | 0 | 0 | 106.7 | K312 Q316 | K312-V314 VanDerWaalsContact C-N 3.35Å; K312-V314 HydrophobicContact CB-CG2 4.17Å; K312-V314 PolarHBondContact O-N 3.31Å; V314-Q316 HydrophobicContact CG1-CG 3.92Å; V314-Q316 PolarHBondContact O-N 3.45Å | ||
| 315 | Y | 41 | Very low | 43.5 | Very low | 226 Ų | 226 | 156.7 Ų | 156.7 | 89% | 0.886 | 79% | 0.789 | S | S | * | * | trans | -66.5 | 96.3 | 167.4 | -84 | -93.8 | 0 | 0 | 0 | 108 | ||||
| 316 | Q | 42.8 | Very low | 44 | Very low | 167 Ų | 167 | 156.9 Ų | 156.9 | 78% | 0.78 | 79% | 0.79 | S | S | * | * | trans | -109.3 | 112.4 | 167.8 | -92.9 | 173.1 | 17.9 | 0 | 0 | 108.9 | V314 A318 | V314-Q316 HydrophobicContact CG1-CG 3.92Å; V314-Q316 PolarHBondContact O-N 3.45Å; Q316-A318 PolarHBondContact O-N 3.05Å | ||
| 317 | N | 40.1 | Very low | 44.6 | Very low | 158 Ų | 158 | 156.2 Ų | 156.2 | 85% | 0.845 | 79% | 0.791 | S | S | * | * | trans | -67.8 | 116.4 | 163.3 | -64.5 | -73.8 | 0 | 0 | 0 | 107.5 | ||||
| 318 | A | 45.3 | Very low | 45.5 | Very low | 80 Ų | 80 | 149.9 Ų | 149.9 | 66% | 0.661 | 77% | 0.773 | S | S | * | * | trans | -160.8 | 98.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | Q316 | Q316-A318 PolarHBondContact O-N 3.05Š| ||
| 319 | D | 44.1 | Very low | 47 | Very low | 148 Ų | 148 | 143.5 Ų | 143.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | 45.7 | 125.5 | 126.3 | -52.1 | -28.9 | 0 | 0 | 0 | 119.4 | |||||
| 320 | E | 45.6 | Very low | 48.2 | Very low | 189 Ų | 189 | 145 Ų | 145 | 88% | 0.883 | 77% | 0.768 | S | S | * | * | trans | 75.7 | 67.3 | 149 | -61.7 | 176.8 | -177.5 | 0 | 0 | 118.9 | ||||
| 321 | T | 49.3 | Very low | 49.9 | Very low | 119 Ų | 119 | 145.6 Ų | 145.6 | 73% | 0.73 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -141.9 | 147.3 | 145.8 | 44.2 | 0 | 0 | 0 | 0 | 108.4 | R323 | T321-R323 VanDerWaalsContact C-N 3.32Å; T321-R323 PolarHBondContact O-N 2.95Å |
| 322 | P | 49.3 | Very low | 51.4 | Low | 132 Ų | 132 | 147.4 Ų | 147.4 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -68.1 | 92.9 | -172.9 | 28.7 | -33 | 0 | 0 | 0 | 109 | T324 | P322-T324 PolarHBondContact O-N 3.43Å; P322-T324 VanDerWaalsContact O-N 3.13Å | ||
| 323 | R | 47.7 | Very low | 53.1 | Low | 213 Ų | 213 | 148 Ų | 148 | 80% | 0.804 | 77% | 0.771 | S | S | * | * | trans | -52.7 | 121.4 | 172.7 | -77.2 | -176.5 | 173.7 | -169.5 | -0.7 | 107.1 | T321 Q325 | T321-R323 VanDerWaalsContact C-N 3.32Å; T321-R323 PolarHBondContact O-N 2.95Å; R323-Q325 PolarHBondContact O-N 3.41Å | ||
| 324 | T | 51.5 | Low | 54.9 | Low | 132 Ų | 132 | 145.4 Ų | 145.4 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -38.3 | 108 | 165.7 | 25 | 0 | 0 | 0 | 0 | 108.4 | P322 V326 | P322-T324 PolarHBondContact O-N 3.43Å; P322-T324 VanDerWaalsContact O-N 3.13Å; T324-V326 PolarHBondContact O-N 3.1Å | ||
| 325 | Q | 52.9 | Low | 56.9 | Low | 159 Ų | 159 | 142 Ų | 142 | 74% | 0.743 | 74% | 0.743 | S | S | * | * | trans | -68.1 | 109.3 | -177.5 | -62.3 | 179.4 | 4.5 | 0 | 0 | 106.4 | R323 I327 | R323-Q325 PolarHBondContact O-N 3.41Å; Q325-I327 HydrophobicContact CB-CD1 3.99Å; Q325-I327 HydrophobicContact CB-CG1 3.67Å; Q325-I327 PolarHBondContact O-N 2.87Å | ||
| 326 | V | 55 | Low | 58.9 | Low | 136 Ų | 136 | 133.9 Ų | 133.9 | 82% | 0.824 | 72% | 0.718 | S | S | * | * | trans | -71.2 | 76.9 | 165 | -178.3 | 0 | 0 | 0 | 0 | 106.4 | T324 G328 | T324-V326 PolarHBondContact O-N 3.1Å; V326-G328 PolarHBondContact O-N 3.47Å | ||
| 327 | I | 47.2 | Very low | 60.9 | Low | 145 Ų | 145 | 134.2 Ų | 134.2 | 74% | 0.744 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.1 | 107.9 | 170.6 | -59.5 | 169.7 | 0 | 0 | 0 | 105.3 | Q325 | Q325-I327 HydrophobicContact CB-CD1 3.99Å; Q325-I327 HydrophobicContact CB-CG1 3.67Å; Q325-I327 PolarHBondContact O-N 2.87Å |
| 328 | G | 58.6 | Low | 62.9 | Low | 44 Ų | 44 | 132.3 Ų | 132.3 | 45% | 0.454 | 70% | 0.698 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 142.9 | -2.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.7 | V326 Q330 E331 | V326-G328 PolarHBondContact O-N 3.47Å; G328-Q330 PolarHBondContact O-N 3.43Å; G328-E331 PolarHBondContact O-N 2.9Å |
| 329 | G | 67.2 | Low | 64.7 | Low | 74 Ų | 74 | 133.6 Ų | 133.6 | 76% | 0.763 | 69% | 0.691 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.3 | 7.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 330 | Q | 64.9 | Low | 66.3 | Low | 188 Ų | 188 | 134.7 Ų | 134.7 | 88% | 0.879 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127 | 13.6 | -176.6 | -73.3 | -179.3 | 16.2 | 0 | 0 | 114.3 | G328 V332 | G328-Q330 PolarHBondContact O-N 3.43Å; Q330-V332 PolarHBondContact O-N 3.17Å |
| 331 | E | 74 | Confident | 67.9 | Low | 177 Ų | 177 | 131.5 Ų | 131.5 | 83% | 0.827 | 67% | 0.672 | S | S | * | * | trans | -74.9 | 100.4 | 173 | -66.9 | -172.4 | -173.4 | 0 | 0 | 110.9 | G328 Y333 | G328-E331 PolarHBondContact O-N 2.9Å; E331-Y333 PolarHBondContact O-N 3.16Å | ||
| 332 | V | 77.1 | Confident | 69.2 | Low | 133 Ų | 133 | 134.5 Ų | 134.5 | 81% | 0.806 | 68% | 0.675 | S | S | * | * | trans | -71 | 99 | 167.9 | -177.5 | 0 | 0 | 0 | 0 | 108 | Q330 K334 | Q330-V332 PolarHBondContact O-N 3.17Å; V332-K334 PolarHBondContact O-N 3.45Å | ||
| 333 | Y | 78.2 | Confident | 70.2 | Confident | 171 Ų | 171 | 135.2 Ų | 135.2 | 67% | 0.671 | 67% | 0.667 | S | S | * | * | trans | -59.4 | 111.3 | 175 | 179.1 | -106.8 | 0 | 0 | 0 | 110.6 | E331 D335 P336 | E331-Y333 PolarHBondContact O-N 3.16Å; Y333-D335 HydrophobicContact CD1-CB 3.96Å; Y333-D335 VanDerWaalsContact CE1-CA 3.43Å; Y333-D335 HydrophobicContact CE1-CB 3.61Å; Y333-D335 PolarHBondContact O-N 3.12Å; Y333-P336 WeakPolarHBondContact OH-CD 3.05Å | ||
| 334 | K | 79.6 | Confident | 71.1 | Confident | 171 Ų | 171 | 130.7 Ų | 130.7 | 74% | 0.743 | 66% | 0.658 | S | S | * | * | trans | -79.6 | 94.7 | 170.2 | -70.4 | -174.7 | 179.5 | -174.5 | 0 | 108.7 | V332 P336 | V332-K334 PolarHBondContact O-N 3.45Å; K334-P336 WeakPolarHBondContact O-CD 3.11Å; K334-P336 VanDerWaalsContact O-N 3.16Å | ||
| 335 | D | 82.9 | Confident | 71.7 | Confident | 20 Ų | 20 | 133 Ų | 133 | 11% | 0.107 | 66% | 0.657 | C | S | . | * | trans | -63 | 114.2 | -178.4 | -170.9 | -16 | 0 | 0 | 0 | 111.1 | Y333 R337 Q338 | Y333-D335 HydrophobicContact CD1-CB 3.96Å; Y333-D335 VanDerWaalsContact CE1-CA 3.43Å; Y333-D335 HydrophobicContact CE1-CB 3.61Å; Y333-D335 PolarHBondContact O-N 3.12Å; D335-R337 PolarHBondContact O-N 2.7Å; D335-R337 WeakPolarHBondContact OD1-CB 3.4Å; D335-R337 WeakPolarHBondContact OD1-CG 3.31Å; D335-R337 PolarHBondContact OD1-N 3.46Å; D335-R337 IonicContact OD1-NE 2.7Å; D335-R337 PolarHBondContact OD1-NE 2.79Å; D335-R337 VanDerWaalsContact OD1-NE 3.08Å; D335-R337 IonicContact OD2-CZ 2.86Å; D335-R337 IonicContact OD2-NE 2.99Å; D335-R337 PolarHBondContact OD2-NE 2.86Å; D335-R337 IonicContact OD2-NH2 3.19Å; D335-R337 PolarHBondContact OD2-NH2 2.92Å; D335-Q338 HydrophobicContact CB-CG 4.07Å; D335-Q338 WeakPolarHBondContact O-CB 3.36Å; D335-Q338 PolarHBondContact O-N 2.86Å | ||
| 336 | P | 84.5 | Confident | 71.9 | Confident | 55 Ų | 55 | 130.8 Ų | 130.8 | 36% | 0.357 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -58.6 | -21.3 | 178.2 | -22.7 | 34 | 0 | 0 | 0 | 112.8 | Y333 K334 Q338 E339 R340 | Y333-P336 WeakPolarHBondContact OH-CD 3.05Å; K334-P336 WeakPolarHBondContact O-CD 3.11Å; K334-P336 VanDerWaalsContact O-N 3.16Å; P336-Q338 VanDerWaalsContact C-N 3.33Å; P336-E339 PolarHBondContact O-N 3.26Å; P336-R340 WeakPolarHBondContact O-CG 3.27Å; P336-R340 PolarHBondContact O-N 3.26Å |
| 337 | R | 83.1 | Confident | 72 | Confident | 175 Ų | 175 | 129.7 Ų | 129.7 | 66% | 0.66 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -66.4 | -34.9 | 174.4 | -59.6 | 178 | -66.4 | -177.5 | 1.4 | 111.8 | D335 R340 L341 | D335-R337 PolarHBondContact O-N 2.7Å; D335-R337 WeakPolarHBondContact OD1-CB 3.4Å; D335-R337 WeakPolarHBondContact OD1-CG 3.31Å; D335-R337 PolarHBondContact OD1-N 3.46Å; D335-R337 IonicContact OD1-NE 2.7Å; D335-R337 PolarHBondContact OD1-NE 2.79Å; D335-R337 VanDerWaalsContact OD1-NE 3.08Å; D335-R337 IonicContact OD2-CZ 2.86Å; D335-R337 IonicContact OD2-NE 2.99Å; D335-R337 PolarHBondContact OD2-NE 2.86Å; D335-R337 IonicContact OD2-NH2 3.19Å; D335-R337 PolarHBondContact OD2-NH2 2.92Å; R337-R340 PolarHBondContact O-N 3.03Å; R337-L341 VanDerWaalsContact O-CB 3.31Å; R337-L341 WeakPolarHBondContact O-CB 3.49Å; R337-L341 PolarHBondContact O-N 3.15Å |
| 338 | Q | 83.8 | Confident | 72.5 | Confident | 118 Ų | 118 | 131.2 Ų | 131.2 | 55% | 0.551 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -69.1 | -36.7 | 177 | -67.9 | -177.2 | 2.3 | 0 | 0 | 111.4 | D335 P336 L341 K342 | D335-Q338 HydrophobicContact CB-CG 4.07Å; D335-Q338 WeakPolarHBondContact O-CB 3.36Å; D335-Q338 PolarHBondContact O-N 2.86Å; P336-Q338 VanDerWaalsContact C-N 3.33Å; Q338-L341 PolarHBondContact O-N 2.93Å; Q338-K342 WeakPolarHBondContact O-CG 3.39Å; Q338-K342 PolarHBondContact O-N 2.71Å; Q338-K342 VanDerWaalsContact O-N 3.1Å |
| 339 | E | 82 | Confident | 72.7 | Confident | 107 Ų | 107 | 130.3 Ų | 130.3 | 50% | 0.5 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -65.6 | -45.3 | 173.5 | -63.8 | -168.3 | 159.8 | 0 | 0 | 111.4 | P336 L341 K342 Q343 | P336-E339 PolarHBondContact O-N 3.26Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 3.37Å; E339-K342 PolarHBondContact O-N 2.94Å; E339-Q343 WeakPolarHBondContact O-CG 3.35Å; E339-Q343 PolarHBondContact O-N 3.38Å; E339-Q343 VanDerWaalsContact O-N 3.14Å |
| 340 | R | 79 | Confident | 72.7 | Confident | 171 Ų | 171 | 135.1 Ų | 135.1 | 65% | 0.645 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -61.4 | -41.8 | 175 | -69.6 | 178.2 | -166.1 | 173.5 | 4.6 | 111.8 | P336 R337 K342 Q343 L344 | P336-R340 WeakPolarHBondContact O-CG 3.27Å; P336-R340 PolarHBondContact O-N 3.26Å; R337-R340 PolarHBondContact O-N 3.03Å; R340-K342 VanDerWaalsContact C-N 3.32Å; R340-K342 PolarHBondContact O-N 3.16Å; R340-Q343 CarbonylContact O-C 3.42Å; R340-Q343 PolarHBondContact O-N 3.14Å; R340-L344 WeakPolarHBondContact O-CG 3.47Å; R340-L344 PolarHBondContact O-N 2.93Å |
| 341 | L | 78 | Confident | 73.1 | Confident | 122 Ų | 122 | 136 Ų | 136 | 64% | 0.639 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -64 | -36.1 | 179.2 | -172.2 | 62 | 0 | 0 | 0 | 112.4 | R337 Q338 E339 Q343 L344 | R337-L341 VanDerWaalsContact O-CB 3.31Å; R337-L341 WeakPolarHBondContact O-CB 3.49Å; R337-L341 PolarHBondContact O-N 3.15Å; Q338-L341 PolarHBondContact O-N 2.93Å; E339-L341 VanDerWaalsContact C-N 3.34Å; E339-L341 PolarHBondContact O-N 3.37Å; L341-Q343 VanDerWaalsContact C-N 3.3Å; L341-L344 HydrophobicContact CD1-CD1 4.25Å; L341-L344 PolarHBondContact O-N 3.03Å |
| 342 | K | 77.3 | Confident | 73.2 | Confident | 181 Ų | 181 | 130.4 Ų | 130.4 | 79% | 0.787 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69 | -27.8 | 172.6 | -71.1 | 174.9 | -177.1 | 178.2 | 0 | 112.9 | Q338 E339 R340 | Q338-K342 WeakPolarHBondContact O-CG 3.39Å; Q338-K342 PolarHBondContact O-N 2.71Å; Q338-K342 VanDerWaalsContact O-N 3.1Å; E339-K342 PolarHBondContact O-N 2.94Å; R340-K342 VanDerWaalsContact C-N 3.32Å; R340-K342 PolarHBondContact O-N 3.16Å |
| 343 | Q | 70.9 | Confident | 73.4 | Confident | 148 Ų | 148 | 126.9 Ų | 126.9 | 69% | 0.692 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -84 | -19.4 | 177.1 | -68.3 | 174.8 | 31.3 | 0 | 0 | 113.4 | E339 R340 L341 K345 | E339-Q343 WeakPolarHBondContact O-CG 3.35Å; E339-Q343 PolarHBondContact O-N 3.38Å; E339-Q343 VanDerWaalsContact O-N 3.14Å; R340-Q343 CarbonylContact O-C 3.42Å; R340-Q343 PolarHBondContact O-N 3.14Å; L341-Q343 VanDerWaalsContact C-N 3.3Å; Q343-K345 VanDerWaalsContact C-N 3.27Å; Q343-K345 PolarHBondContact O-N 3.2Å |
| 344 | L | 65.9 | Low | 73.6 | Confident | 118 Ų | 118 | 126.7 Ų | 126.7 | 62% | 0.618 | 61% | 0.607 | S | S | * | * | trans | -70.2 | 86.7 | 170 | -68.9 | 173.3 | 0 | 0 | 0 | 108.8 | R340 L341 | R340-L344 WeakPolarHBondContact O-CG 3.47Å; R340-L344 PolarHBondContact O-N 2.93Å; L341-L344 HydrophobicContact CD1-CD1 4.25Å; L341-L344 PolarHBondContact O-N 3.03Å | ||
| 345 | K | 63.3 | Low | 73.8 | Confident | 179 Ų | 179 | 125.2 Ų | 125.2 | 78% | 0.778 | 60% | 0.597 | S | S | * | * | trans | -53 | 138.3 | 161.1 | -69.7 | -179.1 | 179.6 | 176.6 | 0 | 107.6 | Q343 V347 | Q343-K345 VanDerWaalsContact C-N 3.27Å; Q343-K345 PolarHBondContact O-N 3.2Å; K345-V347 PolarHBondContact O-N 3.38Å | ||
| 346 | P | 57.7 | Low | 73.8 | Confident | 114 Ų | 114 | 126.7 Ų | 126.7 | 74% | 0.74 | 61% | 0.605 | S | S | * | * | trans | -52.7 | 111.6 | 176.9 | 21.4 | -31.3 | 0 | 0 | 0 | 107.7 | E348 | P346-E348 PolarHBondContact O-N 3.22Å; P346-E348 VanDerWaalsContact O-N 3.14Å | ||
| 347 | V | 57.4 | Low | 73.9 | Confident | 112 Ų | 112 | 128.7 Ų | 128.7 | 68% | 0.679 | 61% | 0.608 | S | S | * | * | trans | -61.2 | 121.6 | -178.1 | 176.9 | 0 | 0 | 0 | 0 | 105.6 | K345 G349 E350 | K345-V347 PolarHBondContact O-N 3.38Å; V347-G349 PolarHBondContact O-N 3.43Å; V347-E350 PolarHBondContact O-N 2.76Å; V347-E350 VanDerWaalsContact O-N 3.11Å | ||
| 348 | E | 57.2 | Low | 74 | Confident | 178 Ų | 178 | 123.3 Ų | 123.3 | 83% | 0.832 | 59% | 0.591 | S | S | * | * | G | 310 helix | trans | -50.9 | -14.8 | -175.7 | -69.9 | -175.2 | 145.8 | 0 | 0 | 113.7 | P346 E350 | P346-E348 PolarHBondContact O-N 3.22Å; P346-E348 VanDerWaalsContact O-N 3.14Å; E348-E350 VanDerWaalsContact C-N 3.32Å; E348-E350 PolarHBondContact O-N 2.92Å |
| 349 | G | 61.9 | Low | 74 | Confident | 25 Ų | 25 | 123 Ų | 123 | 26% | 0.258 | 59% | 0.585 | S | S | . | * | G | 310 helix | trans | -65.9 | -20.1 | 176.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | V347 K351 L352 | V347-G349 PolarHBondContact O-N 3.43Å; G349-K351 VanDerWaalsContact C-N 3.31Å; G349-K351 PolarHBondContact O-N 3.42Å; G349-L352 PolarHBondContact O-N 3.43Å |
| 350 | E | 68.3 | Low | 74.1 | Confident | 174 Ų | 174 | 122.2 Ų | 122.2 | 81% | 0.813 | 58% | 0.584 | S | S | * | * | G | 310 helix | trans | -74.6 | -22.8 | -174.9 | -143.8 | 172.9 | -157.8 | 0 | 0 | 113.1 | V347 E348 | V347-E350 PolarHBondContact O-N 2.76Å; V347-E350 VanDerWaalsContact O-N 3.11Å; E348-E350 VanDerWaalsContact C-N 3.32Å; E348-E350 PolarHBondContact O-N 2.92Å |
| 351 | K | 73.2 | Confident | 74.4 | Confident | 207 Ų | 207 | 119.2 Ų | 119.2 | 90% | 0.9 | 58% | 0.575 | S | S | * | * | G | 310 helix | trans | -97.2 | 2.4 | 177.6 | -65.1 | -175.8 | 180 | -179.6 | 0 | 114 | G349 | G349-K351 VanDerWaalsContact C-N 3.31Å; G349-K351 PolarHBondContact O-N 3.42Å |
| 352 | L | 75.3 | Confident | 74.6 | Confident | 60 Ų | 60 | 113.8 Ų | 113.8 | 31% | 0.314 | 55% | 0.549 | S | S | . | . | trans | -79.4 | 137.1 | -174.2 | -72.4 | 179 | 0 | 0 | 0 | 112.1 | G349 D356 L360 | G349-L352 PolarHBondContact O-N 3.43Å; L352-D356 HydrophobicContact CB-CB 3.94Å; L352-D356 HydrophobicContact CD1-CB 4.35Å; L352-D356 HydrophobicContact CD2-CB 3.9Å; L352-D356 HydrophobicContact CG-CB 4.28Å; L352-L360 HydrophobicContact CD1-CD1 3.27Å; L352-L360 HydrophobicContact CD1-CG 4.24Å | ||
| 353 | S | 81.5 | Confident | 74.9 | Confident | 59 Ų | 59 | 113 Ų | 113 | 41% | 0.413 | 55% | 0.545 | S | S | . | . | trans | -58.4 | 155.2 | 172.5 | 79 | 0 | 0 | 0 | 0 | 110.3 | R355 D356 K357 | S353-R355 PolarHBondContact O-N 3.11Å; S353-D356 PolarHBondContact O-N 2.87Å; S353-D356 VanDerWaalsContact OG-CG 3.31Å; S353-D356 PolarHBondContact OG-N 2.99Å; S353-D356 PolarHBondContact OG-OD2 3.42Å; S353-K357 PolarHBondContact O-N 2.62Å | ||
| 354 | F | 82.9 | Confident | 75.3 | Confident | 166 Ų | 166 | 112.6 Ų | 112.6 | 73% | 0.728 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -50.8 | -36.7 | 178.1 | 177 | -99.6 | 0 | 0 | 0 | 112.3 | K357 M358 | F354-K357 PolarHBondContact O-N 3.14Å; F354-M358 HydrophobicContact CD1-CG 4.17Å; F354-M358 HydrophobicContact CE1-CG 3.67Å; F354-M358 HydrophobicContact CE1-SD 4.48Å; F354-M358 HydrophobicContact CE2-CG 4.32Å; F354-M358 HydrophobicContact CZ-CG 3.76Å; F354-M358 HydrophobicContact CZ-SD 4.08Å; F354-M358 WeakPolarHBondContact O-CB 3.33Å; F354-M358 WeakPolarHBondContact O-CG 3.19Å; F354-M358 PolarHBondContact O-N 3.47Å |
| 355 | R | 83.4 | Confident | 75.8 | Confident | 141 Ų | 141 | 113.9 Ų | 113.9 | 53% | 0.532 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.6 | -40 | 177.8 | -171.8 | 175.2 | -178.2 | 154.7 | 0.7 | 112.6 | S353 M358 R359 | S353-R355 PolarHBondContact O-N 3.11Å; R355-M358 PolarHBondContact O-N 3.17Å; R355-R359 WeakPolarHBondContact O-CG 3.4Å; R355-R359 PolarHBondContact O-N 3.23Å |
| 356 | D | 84.1 | Confident | 76.2 | Confident | 51 Ų | 51 | 112.7 Ų | 112.7 | 27% | 0.273 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -74.8 | -35.1 | 178.8 | -58.8 | -42.1 | 0 | 0 | 0 | 111.2 | L352 S353 R359 L360 | L352-D356 HydrophobicContact CB-CB 3.94Å; L352-D356 HydrophobicContact CD1-CB 4.35Å; L352-D356 HydrophobicContact CD2-CB 3.9Å; L352-D356 HydrophobicContact CG-CB 4.28Å; S353-D356 PolarHBondContact O-N 2.87Å; S353-D356 VanDerWaalsContact OG-CG 3.31Å; S353-D356 PolarHBondContact OG-N 2.99Å; S353-D356 PolarHBondContact OG-OD2 3.42Å; D356-R359 WeakPolarHBondContact O-CB 3.45Å; D356-R359 PolarHBondContact O-N 2.89Å; D356-R359 IonicContact OD1-NH1 3.08Å; D356-R359 PolarHBondContact OD1-NH1 3.4Å; D356-L360 PolarHBondContact O-N 2.92Å |
| 357 | K | 86 | Confident | 76.9 | Confident | 97 Ų | 97 | 113.7 Ų | 113.7 | 42% | 0.422 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61 | -46.8 | 170.5 | -165.7 | 178 | -64.7 | -176.1 | 0 | 111.2 | S353 F354 R359 L360 F361 | S353-K357 PolarHBondContact O-N 2.62Å; F354-K357 PolarHBondContact O-N 3.14Å; K357-R359 VanDerWaalsContact C-N 3.3Å; K357-R359 PolarHBondContact O-N 3.48Å; K357-L360 PolarHBondContact O-N 3.06Å; K357-F361 HydrophobicContact CD-CE2 3.93Å; K357-F361 HydrophobicContact CG-CD2 3.88Å; K357-F361 HydrophobicContact CG-CE2 3.46Å; K357-F361 VanDerWaalsContact CG-CE2 3.46Å; K357-F361 HydrophobicContact CG-CZ 4.5Å; K357-F361 WeakPolarHBondContact O-CD2 3.48Å; K357-F361 PolarHBondContact O-N 2.92Å |
| 358 | M | 84.7 | Confident | 77.6 | Confident | 62 Ų | 62 | 113.6 Ų | 113.6 | 31% | 0.305 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -57.7 | -40 | 172.6 | -82.7 | -64.4 | -56.5 | 0 | 0 | 112.7 | F354 R355 A362 T369 P370 | F354-M358 HydrophobicContact CD1-CG 4.17Å; F354-M358 HydrophobicContact CE1-CG 3.67Å; F354-M358 HydrophobicContact CE1-SD 4.48Å; F354-M358 HydrophobicContact CE2-CG 4.32Å; F354-M358 HydrophobicContact CZ-CG 3.76Å; F354-M358 HydrophobicContact CZ-SD 4.08Å; F354-M358 WeakPolarHBondContact O-CB 3.33Å; F354-M358 WeakPolarHBondContact O-CG 3.19Å; F354-M358 PolarHBondContact O-N 3.47Å; R355-M358 PolarHBondContact O-N 3.17Å; M358-A362 WeakPolarHBondContact O-CB 3.44Å; M358-A362 PolarHBondContact O-N 2.85Å; M358-T369 HydrophobicContact CB-CG2 4.43Å; M358-P370 HydrophobicContact CE-CG 3.6Å |
| 359 | R | 84.7 | Confident | 78.3 | Confident | 112 Ų | 112 | 107.7 Ų | 107.7 | 42% | 0.423 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 175.7 | -75.3 | 173.8 | 179.2 | 148.5 | -10.3 | 112.8 | R355 D356 K357 A362 K363 T369 | R355-R359 WeakPolarHBondContact O-CG 3.4Å; R355-R359 PolarHBondContact O-N 3.23Å; D356-R359 WeakPolarHBondContact O-CB 3.45Å; D356-R359 PolarHBondContact O-N 2.89Å; D356-R359 IonicContact OD1-NH1 3.08Å; D356-R359 PolarHBondContact OD1-NH1 3.4Å; K357-R359 VanDerWaalsContact C-N 3.3Å; K357-R359 PolarHBondContact O-N 3.48Å; R359-A362 PolarHBondContact O-N 2.66Å; R359-K363 WeakPolarHBondContact O-CB 3.46Å; R359-K363 PolarHBondContact O-N 3.49Å; R359-T369 HydrophobicContact CG-CG2 3.73Å |
| 360 | L | 83.9 | Confident | 78.5 | Confident | 90 Ų | 90 | 110.7 Ų | 110.7 | 47% | 0.471 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -64.4 | -45.5 | 177.6 | -79.8 | 179.4 | 0 | 0 | 0 | 111.7 | L352 D356 K357 K363 E364 | L352-L360 HydrophobicContact CD1-CD1 3.27Å; L352-L360 HydrophobicContact CD1-CG 4.24Å; D356-L360 PolarHBondContact O-N 2.92Å; K357-L360 PolarHBondContact O-N 3.06Å; L360-K363 PolarHBondContact O-N 3.09Å; L360-E364 PolarHBondContact O-N 3.42Å |
| 361 | F | 84.2 | Confident | 78.4 | Confident | 107 Ų | 107 | 111.4 Ų | 111.4 | 47% | 0.469 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 174.8 | -74.8 | -62.2 | 0 | 0 | 0 | 111.3 | K357 K363 E364 F365 | K357-F361 HydrophobicContact CD-CE2 3.93Å; K357-F361 HydrophobicContact CG-CD2 3.88Å; K357-F361 HydrophobicContact CG-CE2 3.46Å; K357-F361 VanDerWaalsContact CG-CE2 3.46Å; K357-F361 HydrophobicContact CG-CZ 4.5Å; K357-F361 WeakPolarHBondContact O-CD2 3.48Å; K357-F361 PolarHBondContact O-N 2.92Å; F361-K363 VanDerWaalsContact C-N 3.25Å; F361-K363 PolarHBondContact O-N 3.03Å; F361-E364 WeakPolarHBondContact O-CB 3.11Å; F361-E364 PolarHBondContact O-N 2.78Å; F361-F365 VanDerWaalsContact O-CD2 3.27Å; F361-F365 WeakPolarHBondContact O-CD2 3.4Å; F361-F365 PolarHBondContact O-N 3.1Å; F361-F365 VanDerWaalsContact O-N 3.12Å |
| 362 | A | 83.2 | Confident | 78.1 | Confident | 9 Ų | 9 | 106.5 Ų | 106.5 | 7% | 0.074 | 52% | 0.524 | C | S | . | . | H | α-helix | trans | -56.5 | -40.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | M358 R359 F365 N366 E367 T369 | M358-A362 WeakPolarHBondContact O-CB 3.44Å; M358-A362 PolarHBondContact O-N 2.85Å; R359-A362 PolarHBondContact O-N 2.66Å; A362-F365 PolarHBondContact O-N 3.28Å; A362-N366 PolarHBondContact O-N 3.5Å; A362-N366 VanDerWaalsContact O-N 3.16Å; A362-E367 CarbonylContact C-O 3.48Å; A362-E367 WeakPolarHBondContact CB-O 3.41Å; A362-E367 PolarHBondContact O-N 3.12Å; A362-E367 VanDerWaalsContact O-O 3.04Å; A362-T369 WeakPolarHBondContact CB-OG1 3.3Å |
| 363 | K | 82.9 | Confident | 77.4 | Confident | 164 Ų | 164 | 106.8 Ų | 106.8 | 71% | 0.713 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -66.7 | -36 | 175.5 | -171.2 | 178 | 179.6 | -177.3 | 0 | 113.1 | R359 L360 F361 F365 N366 | R359-K363 WeakPolarHBondContact O-CB 3.46Å; R359-K363 PolarHBondContact O-N 3.49Å; L360-K363 PolarHBondContact O-N 3.09Å; F361-K363 VanDerWaalsContact C-N 3.25Å; F361-K363 PolarHBondContact O-N 3.03Å; K363-F365 VanDerWaalsContact C-N 3.34Å; K363-N366 PolarHBondContact O-N 3.47Å |
| 364 | E | 79.9 | Confident | 76.5 | Confident | 139 Ų | 139 | 108.5 Ų | 108.5 | 65% | 0.65 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.1 | -35.7 | 178 | -172.2 | 173.2 | -173.7 | 0 | 0 | 112.2 | L360 F361 | L360-E364 PolarHBondContact O-N 3.42Å; F361-E364 WeakPolarHBondContact O-CB 3.11Å; F361-E364 PolarHBondContact O-N 2.78Å |
| 365 | F | 75.7 | Confident | 75.8 | Confident | 145 Ų | 145 | 110.6 Ų | 110.6 | 64% | 0.636 | 56% | 0.557 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.2 | 5.9 | 178.7 | -68.2 | -78.9 | 0 | 0 | 0 | 114.1 | F361 A362 K363 E367 | F361-F365 VanDerWaalsContact O-CD2 3.27Å; F361-F365 WeakPolarHBondContact O-CD2 3.4Å; F361-F365 PolarHBondContact O-N 3.1Å; F361-F365 VanDerWaalsContact O-N 3.12Å; A362-F365 PolarHBondContact O-N 3.28Å; K363-F365 VanDerWaalsContact C-N 3.34Å; F365-E367 HydrophobicContact CB-CB 4.46Å; F365-E367 PolarHBondContact O-N 3.28Å; F365-E367 VanDerWaalsContact O-N 3.17Å |
| 366 | N | 72.1 | Confident | 74.9 | Confident | 155 Ų | 155 | 105 Ų | 105 | 83% | 0.829 | 54% | 0.54 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 30.3 | -172.3 | -69.6 | -47.1 | 0 | 0 | 0 | 113.6 | A362 K363 | A362-N366 PolarHBondContact O-N 3.5Å; A362-N366 VanDerWaalsContact O-N 3.16Å; K363-N366 PolarHBondContact O-N 3.47Å |
| 367 | E | 73.2 | Confident | 74.4 | Confident | 135 Ų | 135 | 106 Ų | 106 | 63% | 0.631 | 55% | 0.55 | S | S | * | * | trans | -104.1 | 143.4 | -178.5 | -161.3 | 177.4 | 179.4 | 0 | 0 | 109.8 | A362 F365 T369 | A362-E367 CarbonylContact C-O 3.48Å; A362-E367 WeakPolarHBondContact CB-O 3.41Å; A362-E367 PolarHBondContact O-N 3.12Å; A362-E367 VanDerWaalsContact O-O 3.04Å; F365-E367 HydrophobicContact CB-CB 4.46Å; F365-E367 PolarHBondContact O-N 3.28Å; F365-E367 VanDerWaalsContact O-N 3.17Å; E367-T369 PolarHBondContact O-N 3.11Å | ||
| 368 | P | 70.5 | Confident | 73.9 | Confident | 110 Ų | 110 | 106 Ų | 106 | 71% | 0.714 | 56% | 0.563 | S | S | * | * | P | Polyproline II helix | trans | -60.9 | 132.1 | 174.9 | 23.3 | -34.4 | 0 | 0 | 0 | 111.3 | P370 | P368-P370 WeakPolarHBondContact O-CD 3.39Š|
| 369 | T | 73.7 | Confident | 73.6 | Confident | 54 Ų | 54 | 105.6 Ų | 105.6 | 33% | 0.331 | 57% | 0.569 | S | S | . | * | P | Polyproline II helix | trans | -56.8 | 126.3 | 172.7 | -50.3 | 0 | 0 | 0 | 0 | 109.5 | M358 R359 A362 E367 K371 | M358-T369 HydrophobicContact CB-CG2 4.43Å; R359-T369 HydrophobicContact CG-CG2 3.73Å; A362-T369 WeakPolarHBondContact CB-OG1 3.3Å; E367-T369 PolarHBondContact O-N 3.11Å; T369-K371 PolarHBondContact O-N 3.41Å |
| 370 | P | 65.1 | Low | 73.3 | Confident | 87 Ų | 87 | 105.1 Ų | 105.1 | 57% | 0.565 | 57% | 0.572 | S | S | * | * | P | Polyproline II helix | trans | -54.6 | 125 | 179.6 | -26.8 | 34.5 | 0 | 0 | 0 | 110.6 | M358 P368 | M358-P370 HydrophobicContact CE-CG 3.6Å; P368-P370 WeakPolarHBondContact O-CD 3.39Å |
| 371 | K | 67.1 | Low | 73.1 | Confident | 190 Ų | 190 | 106.2 Ų | 106.2 | 83% | 0.826 | 57% | 0.57 | S | S | * | * | P | Polyproline II helix | trans | -60.6 | 140.1 | 173.1 | -67.5 | 179.6 | -178.2 | 175.1 | 0 | 107.7 | T369 G373 | T369-K371 PolarHBondContact O-N 3.41Å; K371-G373 PolarHBondContact O-N 3.47Å |
| 372 | P | 66.3 | Low | 72.9 | Confident | 104 Ų | 104 | 107 Ų | 107 | 68% | 0.675 | 58% | 0.575 | S | S | * | * | trans | -54.2 | 113.9 | 173.6 | 22.4 | -31.3 | 0 | 0 | 0 | 108.2 | V374 | P372-V374 PolarHBondContact O-N 3.16Š| ||
| 373 | G | 59.5 | Low | 72.7 | Confident | 65 Ų | 65 | 111.4 Ų | 111.4 | 67% | 0.67 | 60% | 0.596 | S | S | * | * | trans | -57.2 | 137.9 | -175.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | K371 K375 | K371-G373 PolarHBondContact O-N 3.47Å; G373-K375 PolarHBondContact O-N 3.49Å | ||
| 374 | V | 63.3 | Low | 72.5 | Confident | 95 Ų | 95 | 108.3 Ų | 108.3 | 58% | 0.576 | 58% | 0.584 | S | S | * | * | trans | -55.6 | 127.3 | 173.2 | -177.6 | 0 | 0 | 0 | 0 | 107.8 | P372 S376 R381 | P372-V374 PolarHBondContact O-N 3.16Å; V374-S376 WeakPolarHBondContact CG1-OG 3.31Å; V374-S376 PolarHBondContact O-N 3.45Å; V374-S376 VanDerWaalsContact O-N 3.12Å; V374-R381 VanDerWaalsContact CB-NH2 3.34Å | ||
| 375 | K | 67.9 | Low | 72.5 | Confident | 211 Ų | 211 | 107.5 Ų | 107.5 | 92% | 0.917 | 58% | 0.582 | S | S | * | * | S | Bend | trans | -66.7 | -9.7 | -174.3 | -66.6 | -178.1 | 177.8 | -178.6 | 0 | 114 | G373 | G373-K375 PolarHBondContact O-N 3.49Š|
| 376 | S | 65.3 | Low | 72.5 | Confident | 24 Ų | 24 | 105.1 Ų | 105.1 | 17% | 0.168 | 58% | 0.576 | C | S | . | * | S | Bend | trans | -94.4 | 127.8 | 172.7 | 51.7 | 0 | 0 | 0 | 0 | 110.4 | V374 | V374-S376 WeakPolarHBondContact CG1-OG 3.31Å; V374-S376 PolarHBondContact O-N 3.45Å; V374-S376 VanDerWaalsContact O-N 3.12Å |
| 377 | S | 73.6 | Confident | 72.6 | Confident | 70 Ų | 70 | 103.1 Ų | 103.1 | 49% | 0.49 | 56% | 0.564 | S | S | . | * | trans | -53.6 | 149.9 | 168 | 171.4 | 0 | 0 | 0 | 0 | 109.8 | A379 Q380 R381 | S377-A379 PolarHBondContact O-N 3.48Å; S377-A379 PolarHBondContact OG-N 3.01Å; S377-Q380 WeakPolarHBondContact O-CA 3.33Å; S377-Q380 WeakPolarHBondContact O-CB 3.33Å; S377-Q380 PolarHBondContact O-N 3.35Å; S377-R381 PolarHBondContact O-N 3.07Å | ||
| 378 | S | 75.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 103.1 Ų | 103.1 | 69% | 0.685 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -51.6 | -40.9 | 176.2 | -165.4 | 0 | 0 | 0 | 0 | 111.5 | Q380 R381 E382 | S378-Q380 VanDerWaalsContact C-N 3.33Å; S378-Q380 PolarHBondContact O-N 3.09Å; S378-R381 PolarHBondContact O-N 3.32Å; S378-E382 PolarHBondContact O-N 3.42Å; S378-E382 VanDerWaalsContact O-N 3.11Å |
| 379 | A | 78.3 | Confident | 72.5 | Confident | 53 Ų | 53 | 104 Ų | 104 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -65.3 | -35.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | S377 E382 I383 | S377-A379 PolarHBondContact O-N 3.48Å; S377-A379 PolarHBondContact OG-N 3.01Å; A379-E382 PolarHBondContact O-N 2.86Å; A379-I383 WeakPolarHBondContact O-CD1 3.37Å; A379-I383 VanDerWaalsContact O-CG1 3.26Å; A379-I383 WeakPolarHBondContact O-CG1 3.39Å; A379-I383 PolarHBondContact O-N 3.49Å |
| 380 | Q | 78.5 | Confident | 72 | Confident | 102 Ų | 102 | 106.6 Ų | 106.6 | 48% | 0.477 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.5 | -38 | -179.5 | -153.8 | 161.4 | 9.8 | 0 | 0 | 111 | S377 S378 E382 I383 E384 | S377-Q380 WeakPolarHBondContact O-CA 3.33Å; S377-Q380 WeakPolarHBondContact O-CB 3.33Å; S377-Q380 PolarHBondContact O-N 3.35Å; S378-Q380 VanDerWaalsContact C-N 3.33Å; S378-Q380 PolarHBondContact O-N 3.09Å; Q380-E382 VanDerWaalsContact C-N 3.34Å; Q380-I383 PolarHBondContact O-N 3.42Å; Q380-E384 WeakPolarHBondContact O-CG 3.42Å; Q380-E384 PolarHBondContact O-N 3.48Å |
| 381 | R | 80.5 | Confident | 71.3 | Confident | 113 Ų | 113 | 116.3 Ų | 116.3 | 43% | 0.426 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -63.2 | -40.2 | 172 | -162.8 | -176 | -58.3 | 164.3 | 8.3 | 111.8 | V374 S377 S378 E384 M385 | V374-R381 VanDerWaalsContact CB-NH2 3.34Å; S377-R381 PolarHBondContact O-N 3.07Å; S378-R381 PolarHBondContact O-N 3.32Å; R381-E384 PolarHBondContact O-N 2.95Å; R381-M385 VanDerWaalsContact O-CG 3.31Å; R381-M385 WeakPolarHBondContact O-CG 3.47Å; R381-M385 PolarHBondContact O-N 3Å |
| 382 | E | 79.3 | Confident | 71.5 | Confident | 124 Ų | 124 | 112.7 Ų | 112.7 | 58% | 0.579 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -64.1 | -44.5 | 176.7 | -172.7 | 178.9 | 173.7 | 0 | 0 | 112.1 | S378 A379 Q380 M385 N386 | S378-E382 PolarHBondContact O-N 3.42Å; S378-E382 VanDerWaalsContact O-N 3.11Å; A379-E382 PolarHBondContact O-N 2.86Å; Q380-E382 VanDerWaalsContact C-N 3.34Å; E382-M385 PolarHBondContact O-N 3.17Å; E382-N386 PolarHBondContact O-N 3.03Å; E382-N386 VanDerWaalsContact O-N 3.09Å |
| 383 | I | 78.5 | Confident | 71.8 | Confident | 102 Ų | 102 | 113.1 Ų | 113.1 | 52% | 0.523 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -62 | -45 | 176.3 | -67.2 | 163.1 | 0 | 0 | 0 | 111.2 | A379 Q380 M385 N386 L387 | A379-I383 WeakPolarHBondContact O-CD1 3.37Å; A379-I383 VanDerWaalsContact O-CG1 3.26Å; A379-I383 WeakPolarHBondContact O-CG1 3.39Å; A379-I383 PolarHBondContact O-N 3.49Å; Q380-I383 PolarHBondContact O-N 3.42Å; I383-M385 VanDerWaalsContact C-N 3.33Å; I383-M385 PolarHBondContact O-N 3.43Å; I383-N386 PolarHBondContact O-N 3.2Å; I383-L387 HydrophobicContact CG2-CD1 3.68Å; I383-L387 HydrophobicContact CG2-CG 4.49Å; I383-L387 WeakPolarHBondContact O-CB 3.46Å; I383-L387 WeakPolarHBondContact O-CD1 3.26Å; I383-L387 WeakPolarHBondContact O-CG 3.47Å; I383-L387 PolarHBondContact O-N 3.34Å |
| 384 | E | 79.3 | Confident | 72.5 | Confident | 98 Ų | 98 | 115.8 Ų | 115.8 | 46% | 0.458 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -62 | -37.6 | 177.7 | -74.8 | 170.6 | -166.7 | 0 | 0 | 112.5 | Q380 R381 N388 | Q380-E384 WeakPolarHBondContact O-CG 3.42Å; Q380-E384 PolarHBondContact O-N 3.48Å; R381-E384 PolarHBondContact O-N 2.95Å; E384-N388 PolarHBondContact O-N 3.35Å |
| 385 | M | 78.8 | Confident | 73 | Confident | 123 Ų | 123 | 117 Ų | 117 | 61% | 0.606 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.6 | -42.1 | 176.2 | -70 | -172.8 | 92.4 | 0 | 0 | 112 | R381 E382 I383 N388 I389 | R381-M385 VanDerWaalsContact O-CG 3.31Å; R381-M385 WeakPolarHBondContact O-CG 3.47Å; R381-M385 PolarHBondContact O-N 3Å; E382-M385 PolarHBondContact O-N 3.17Å; I383-M385 VanDerWaalsContact C-N 3.33Å; I383-M385 PolarHBondContact O-N 3.43Å; M385-N388 PolarHBondContact O-N 2.96Å; M385-I389 VanDerWaalsContact O-CD1 3.3Å; M385-I389 WeakPolarHBondContact O-CD1 3.47Å; M385-I389 WeakPolarHBondContact O-CG1 3.5Å; M385-I389 PolarHBondContact O-N 3.31Å |
| 386 | N | 75.9 | Confident | 73.3 | Confident | 95 Ų | 95 | 111.1 Ų | 111.1 | 51% | 0.508 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -69.5 | -33.9 | 178.3 | -70 | -22.4 | 0 | 0 | 0 | 112.6 | E382 I383 N388 I389 | E382-N386 PolarHBondContact O-N 3.03Å; E382-N386 VanDerWaalsContact O-N 3.09Å; I383-N386 PolarHBondContact O-N 3.2Å; N386-N388 VanDerWaalsContact C-N 3.33Å; N386-I389 PolarHBondContact O-N 3.43Å |
| 387 | L | 75.6 | Confident | 73.9 | Confident | 112 Ų | 112 | 116.9 Ų | 116.9 | 59% | 0.586 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -65 | -36 | 173.9 | -83 | 158.7 | 0 | 0 | 0 | 112.5 | I383 I389 S390 | I383-L387 HydrophobicContact CG2-CD1 3.68Å; I383-L387 HydrophobicContact CG2-CG 4.49Å; I383-L387 WeakPolarHBondContact O-CB 3.46Å; I383-L387 WeakPolarHBondContact O-CD1 3.26Å; I383-L387 WeakPolarHBondContact O-CG 3.47Å; I383-L387 PolarHBondContact O-N 3.34Å; L387-I389 VanDerWaalsContact C-N 3.27Å; L387-I389 PolarHBondContact O-N 3.49Å; L387-S390 PolarHBondContact O-N 3.31Å |
| 388 | N | 70.8 | Confident | 73.9 | Confident | 135 Ų | 135 | 120.3 Ų | 120.3 | 72% | 0.722 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | -9.8 | 179.7 | -76.7 | 5.1 | 0 | 0 | 0 | 113.9 | E384 M385 N386 | E384-N388 PolarHBondContact O-N 3.35Å; M385-N388 PolarHBondContact O-N 2.96Å; N386-N388 VanDerWaalsContact C-N 3.33Å |
| 389 | I | 71.2 | Confident | 73.8 | Confident | 129 Ų | 129 | 122 Ų | 122 | 66% | 0.662 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -13.6 | 177.4 | -68.1 | 159.7 | 0 | 0 | 0 | 111.7 | M385 N386 L387 | M385-I389 VanDerWaalsContact O-CD1 3.3Å; M385-I389 WeakPolarHBondContact O-CD1 3.47Å; M385-I389 WeakPolarHBondContact O-CG1 3.5Å; M385-I389 PolarHBondContact O-N 3.31Å; N386-I389 PolarHBondContact O-N 3.43Å; L387-I389 VanDerWaalsContact C-N 3.27Å; L387-I389 PolarHBondContact O-N 3.49Å |
| 390 | S | 61.2 | Low | 73.4 | Confident | 108 Ų | 108 | 127.8 Ų | 127.8 | 76% | 0.755 | 62% | 0.617 | S | S | * | * | trans | -103 | 19.6 | -178.2 | -56.2 | 0 | 0 | 0 | 0 | 114.8 | L387 | L387-S390 PolarHBondContact O-N 3.31Š| ||
| 391 | R | 51.4 | Low | 72.9 | Confident | 292 Ų | 292 | 130.1 Ų | 130.1 | 100% | 1.102 | 63% | 0.63 | S | S | * | * | trans | -118.4 | 0 | 165.2 | -82.3 | -169.9 | 179.4 | -177 | 1.1 | 109.1 |
Retrieved 391 of 391 residues in 69.5 ms
(Link to these results)