| 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 | 51.8 | Low | 86.5 | Confident | 231 Ų | 231 | 96.5 Ų | 96.5 | 100% | 1.138 | 51% | 0.513 | S | S | * | . | 0 | 107.4 | 0 | -66.7 | -159.1 | -157.5 | 0 | 0 | 107.4 | V3 | M1-V3 PolarHBondContact O-N 3.08Š| |||
| 2 | T | 72.1 | Confident | 87.2 | Confident | 125 Ų | 125 | 93.5 Ų | 93.5 | 77% | 0.767 | 49% | 0.494 | S | S | * | . | trans | -75.8 | 112.7 | 176.7 | 43.9 | 0 | 0 | 0 | 0 | 108.1 | D4 | T2-D4 PolarHBondContact O-N 3.32Š| ||
| 3 | V | 79.7 | Confident | 87.9 | Confident | 65 Ų | 65 | 86.4 Ų | 86.4 | 39% | 0.394 | 46% | 0.456 | S | S | . | . | trans | -82.8 | 110.3 | 177.8 | 179.1 | 0 | 0 | 0 | 0 | 107.6 | M1 V5 L8 L16 | M1-V3 PolarHBondContact O-N 3.08Å; V3-V5 PolarHBondContact O-N 2.98Å; V3-L8 HydrophobicContact CG1-CD1 3.99Å; V3-L16 HydrophobicContact CG1-CD1 4Å | ||
| 4 | D | 90.5 | Very high | 88.5 | Confident | 86 Ų | 86 | 84.1 Ų | 84.1 | 46% | 0.46 | 44% | 0.442 | S | S | . | . | trans | -69.4 | 97.6 | 172.9 | 177.1 | 16.6 | 0 | 0 | 0 | 110.4 | T2 D6 S7 L8 | T2-D4 PolarHBondContact O-N 3.32Å; D4-D6 PolarHBondContact O-N 3.47Å; D4-D6 PolarHBondContact OD1-N 3Å; D4-S7 VanDerWaalsContact OD2-CB 3.26Å; D4-S7 WeakPolarHBondContact OD2-CB 3.37Å; D4-S7 PolarHBondContact OD2-OG 2.83Å; D4-L8 WeakPolarHBondContact O-CG 3.47Å | ||
| 5 | V | 92.4 | Very high | 89 | Confident | 5 Ų | 5 | 91.5 Ų | 91.5 | 3% | 0.03 | 46% | 0.461 | C | S | . | . | S | Bend | trans | -64.1 | -24.9 | -178 | -177.5 | 0 | 0 | 0 | 0 | 112.3 | V3 L13 K32 L35 K36 L39 | V3-V5 PolarHBondContact O-N 2.98Å; V5-L13 HydrophobicContact CG1-CD2 3.87Å; V5-K32 HydrophobicContact CG1-CB 4.18Å; V5-K32 HydrophobicContact CG1-CG 4.11Å; V5-L35 HydrophobicContact CG1-CB 4.01Å; V5-L35 HydrophobicContact CG2-CB 4.47Å; V5-K36 HydrophobicContact CB-CG 4.24Å; V5-K36 HydrophobicContact CG1-CG 4.45Å; V5-K36 HydrophobicContact CG2-CG 4.31Å; V5-L39 HydrophobicContact CG2-CD1 3.37Å |
| 6 | D | 92.1 | Very high | 89.3 | Confident | 74 Ų | 74 | 88.3 Ų | 88.3 | 40% | 0.396 | 45% | 0.446 | S | S | . | . | S | Bend | trans | -78.3 | -30.2 | -174 | -71.2 | -33 | 0 | 0 | 0 | 112.7 | D4 K32 K36 | D4-D6 PolarHBondContact O-N 3.47Å; D4-D6 PolarHBondContact OD1-N 3Å; D6-K32 PolarHBondContact O-NZ 2.96Å; D6-K36 IonicContact OD1-NZ 3.18Å; D6-K36 PolarHBondContact OD1-NZ 2.98Å; D6-K36 WeakPolarHBondContact OD2-CE 3.15Å; D6-K36 IonicContact OD2-NZ 2.61Å; D6-K36 PolarHBondContact OD2-NZ 3.12Å |
| 7 | S | 93 | Very high | 89.6 | Confident | 93 Ų | 93 | 83.1 Ų | 83.1 | 65% | 0.65 | 42% | 0.419 | S | S | * | . | S | Bend | trans | -82 | -9.7 | 179.5 | -65.1 | 0 | 0 | 0 | 0 | 114.3 | D4 | D4-S7 VanDerWaalsContact OD2-CB 3.26Å; D4-S7 WeakPolarHBondContact OD2-CB 3.37Å; D4-S7 PolarHBondContact OD2-OG 2.83Å |
| 8 | L | 92.7 | Very high | 89.9 | Confident | 40 Ų | 40 | 86.7 Ų | 86.7 | 21% | 0.209 | 43% | 0.432 | C | S | . | . | trans | -74.1 | 140.1 | -175.7 | -65.9 | 176.6 | 0 | 0 | 0 | 113.6 | V3 D4 E12 L13 L16 | V3-L8 HydrophobicContact CG1-CD1 3.99Å; D4-L8 WeakPolarHBondContact O-CG 3.47Å; L8-E12 HydrophobicContact CB-CB 4.21Å; L8-E12 HydrophobicContact CD2-CB 4.13Å; L8-L13 HydrophobicContact CB-CD2 3.97Å; L8-L13 HydrophobicContact CB-CG 3.98Å; L8-L13 HydrophobicContact CD1-CD2 4.12Å; L8-L16 HydrophobicContact CD1-CD1 3.24Å | ||
| 9 | R | 95.5 | Very high | 90.1 | Very high | 176 Ų | 176 | 90.4 Ų | 90.4 | 66% | 0.664 | 45% | 0.45 | S | S | * | . | trans | -69.6 | 155.7 | 170.7 | -68 | -176.5 | -64.6 | 172.4 | -3.9 | 110.5 | A11 E12 L13 | R9-A11 PolarHBondContact O-N 3.18Å; R9-A11 VanDerWaalsContact O-N 3.11Å; R9-E12 IonicContact CZ-OE1 2.68Å; R9-E12 PolarHBondContact N-OE2 3.47Å; R9-E12 IonicContact NE-OE1 3.83Å; R9-E12 PolarHBondContact NE-OE1 3.33Å; R9-E12 IonicContact NH2-OE1 3.78Å; R9-E12 PolarHBondContact NH2-OE1 3.04Å; R9-E12 WeakPolarHBondContact O-CA 3.49Å; R9-E12 WeakPolarHBondContact O-CB 3.4Å; R9-E12 PolarHBondContact O-N 3.06Å; R9-L13 PolarHBondContact O-N 3.27Å | ||
| 10 | Y | 96.5 | Very high | 90.2 | Very high | 102 Ų | 102 | 89.2 Ų | 89.2 | 40% | 0.4 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -55.1 | -35.9 | -179.5 | -176.6 | -113.1 | 0 | 0 | 0 | 113.8 | E12 L13 Q14 K26 A28 L31 | Y10-E12 VanDerWaalsContact C-N 3.35Å; Y10-E12 PolarHBondContact O-N 3.03Å; Y10-L13 PolarHBondContact O-N 3.24Å; Y10-Q14 HydrophobicContact CE1-CG 4.17Å; Y10-Q14 HydrophobicContact CE2-CG 4.36Å; Y10-Q14 WeakPolarHBondContact O-CG 3.37Å; Y10-Q14 PolarHBondContact O-N 3.3Å; Y10-Q14 PolarHBondContact OH-NE2 3.06Å; Y10-K26 WeakPolarHBondContact CE2-O 3.33Å; Y10-K26 PolarHBondContact OH-O 3Å; Y10-A28 HydrophobicContact CD2-CB 3.71Å; Y10-A28 HydrophobicContact CE2-CB 4.17Å; Y10-L31 HydrophobicContact CD2-CD1 4.45Å; Y10-L31 HydrophobicContact CE2-CD1 3.86Å |
| 11 | A | 95.6 | Very high | 90.3 | Very high | 64 Ų | 64 | 88.4 Ų | 88.4 | 53% | 0.529 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -65.4 | -36.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | R9 R15 | R9-A11 PolarHBondContact O-N 3.18Å; R9-A11 VanDerWaalsContact O-N 3.11Å; A11-R15 PolarHBondContact O-N 2.86Å; A11-R15 VanDerWaalsContact O-N 3.12Å |
| 12 | E | 94.8 | Very high | 92.3 | Very high | 61 Ų | 61 | 78.5 Ų | 78.5 | 29% | 0.285 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.3 | -42.4 | 176.5 | -70 | 149.5 | -160 | 0 | 0 | 110.5 | L8 R9 Y10 Q14 R15 L16 | L8-E12 HydrophobicContact CB-CB 4.21Å; L8-E12 HydrophobicContact CD2-CB 4.13Å; R9-E12 IonicContact CZ-OE1 2.68Å; R9-E12 PolarHBondContact N-OE2 3.47Å; R9-E12 IonicContact NE-OE1 3.83Å; R9-E12 PolarHBondContact NE-OE1 3.33Å; R9-E12 IonicContact NH2-OE1 3.78Å; R9-E12 PolarHBondContact NH2-OE1 3.04Å; R9-E12 WeakPolarHBondContact O-CA 3.49Å; R9-E12 WeakPolarHBondContact O-CB 3.4Å; R9-E12 PolarHBondContact O-N 3.06Å; Y10-E12 VanDerWaalsContact C-N 3.35Å; Y10-E12 PolarHBondContact O-N 3.03Å; E12-Q14 VanDerWaalsContact C-N 3.28Å; E12-Q14 PolarHBondContact O-N 3.35Å; E12-R15 WeakPolarHBondContact O-CB 3.24Å; E12-R15 PolarHBondContact O-N 3.11Å; E12-L16 PolarHBondContact O-N 3.19Å |
| 13 | L | 96.2 | Very high | 93.4 | Very high | 1 Ų | 1 | 80 Ų | 80 | 1% | 0.005 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -56.1 | -42.4 | 171.6 | -70.2 | 172.7 | 0 | 0 | 0 | 111.8 | V5 L8 R9 Y10 A17 A28 L31 K32 L35 | V5-L13 HydrophobicContact CG1-CD2 3.87Å; L8-L13 HydrophobicContact CB-CD2 3.97Å; L8-L13 HydrophobicContact CB-CG 3.98Å; L8-L13 HydrophobicContact CD1-CD2 4.12Å; R9-L13 PolarHBondContact O-N 3.27Å; Y10-L13 PolarHBondContact O-N 3.24Å; L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.49Å; L13-A28 HydrophobicContact CD1-CB 4.44Å; L13-L31 HydrophobicContact CB-CD1 4.38Å; L13-K32 HydrophobicContact CD1-CD 4.45Å; L13-K32 HydrophobicContact CD1-CG 3.81Å; L13-K32 HydrophobicContact CD2-CG 3.97Å; L13-L35 HydrophobicContact CD2-CD1 3.78Å |
| 14 | Q | 96.3 | Very high | 94 | Very high | 55 Ų | 55 | 77.6 Ų | 77.6 | 26% | 0.257 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -66.5 | -37.1 | 175.9 | -76 | -167.7 | -17.4 | 0 | 0 | 113 | Y10 E12 K18 A24 L31 | Y10-Q14 HydrophobicContact CE1-CG 4.17Å; Y10-Q14 HydrophobicContact CE2-CG 4.36Å; Y10-Q14 WeakPolarHBondContact O-CG 3.37Å; Y10-Q14 PolarHBondContact O-N 3.3Å; Y10-Q14 PolarHBondContact OH-NE2 3.06Å; E12-Q14 VanDerWaalsContact C-N 3.28Å; E12-Q14 PolarHBondContact O-N 3.35Å; Q14-K18 WeakPolarHBondContact O-CG 3.45Å; Q14-K18 PolarHBondContact O-N 3.29Å; Q14-A24 HydrophobicContact CB-CB 4.14Å; Q14-A24 HydrophobicContact CG-CB 4.17Å; Q14-A24 WeakPolarHBondContact CG-O 3.41Å; Q14-A24 PolarHBondContact NE2-O 3.5Å; Q14-L31 HydrophobicContact CG-CD1 4.18Å |
| 15 | R | 95.3 | Very high | 94.2 | Very high | 195 Ų | 195 | 79.7 Ų | 79.7 | 74% | 0.736 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -65 | -49.9 | 175.6 | -81.6 | -178.6 | 165.7 | -176.2 | -4.3 | 110.8 | A11 E12 A17 K18 M19 | A11-R15 PolarHBondContact O-N 2.86Å; A11-R15 VanDerWaalsContact O-N 3.12Å; E12-R15 WeakPolarHBondContact O-CB 3.24Å; E12-R15 PolarHBondContact O-N 3.11Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-A17 PolarHBondContact O-N 3.23Å; R15-K18 PolarHBondContact O-N 3.49Å; R15-M19 WeakPolarHBondContact O-CG 3.28Å; R15-M19 PolarHBondContact O-N 3.09Å |
| 16 | L | 93.7 | Very high | 94.3 | Very high | 40 Ų | 40 | 81.8 Ų | 81.8 | 21% | 0.209 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -60.2 | -43.9 | 175.2 | -74.9 | 177.2 | 0 | 0 | 0 | 111.8 | V3 L8 E12 K18 M19 H20 L35 | V3-L16 HydrophobicContact CG1-CD1 4Å; L8-L16 HydrophobicContact CD1-CD1 3.24Å; E12-L16 PolarHBondContact O-N 3.19Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 2.93Å; L16-M19 WeakPolarHBondContact O-CB 3.41Å; L16-M19 PolarHBondContact O-N 2.88Å; L16-M19 VanDerWaalsContact O-N 3.08Å; L16-H20 PolarHBondContact O-CD2 2.92Å; L16-H20 VanDerWaalsContact O-CD2 3.24Å; L16-H20 PolarHBondContact O-N 2.89Å; L16-L35 HydrophobicContact CB-CD1 4.09Å; L16-L35 HydrophobicContact CB-CD2 4.01Å |
| 17 | A | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 86.1 Ų | 86.1 | 0% | 0 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -56.1 | -44.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L13 R15 H20 G21 I22 A24 L31 | L13-A17 WeakPolarHBondContact O-CB 3.47Å; L13-A17 PolarHBondContact O-N 3.49Å; R15-A17 VanDerWaalsContact C-N 3.34Å; R15-A17 PolarHBondContact O-N 3.23Å; A17-H20 CarbonylContact O-C 3.52Å; A17-H20 PolarHBondContact O-N 3.41Å; A17-G21 PolarHBondContact O-N 2.93Å; A17-G21 VanDerWaalsContact O-N 3.16Å; A17-I22 CarbonylContact C-O 3.51Å; A17-I22 HydrophobicContact CB-CB 3.97Å; A17-I22 HydrophobicContact CB-CG2 4.43Å; A17-I22 WeakPolarHBondContact O-CA 3.41Å; A17-I22 WeakPolarHBondContact O-CB 3.46Å; A17-I22 PolarHBondContact O-N 3.25Å; A17-A24 HydrophobicContact CB-CB 4.25Å; A17-L31 HydrophobicContact CB-CD2 3.86Å |
| 18 | K | 95.7 | Very high | 94.5 | Very high | 147 Ų | 147 | 83.6 Ų | 83.6 | 64% | 0.639 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -64.6 | -39.9 | 175.5 | -72.8 | 176.3 | -177.5 | -179.6 | 0 | 112.5 | Q14 R15 L16 H20 G21 A24 | Q14-K18 WeakPolarHBondContact O-CG 3.45Å; Q14-K18 PolarHBondContact O-N 3.29Å; R15-K18 PolarHBondContact O-N 3.49Å; L16-K18 VanDerWaalsContact C-N 3.3Å; L16-K18 PolarHBondContact O-N 2.93Å; K18-H20 VanDerWaalsContact C-N 3.31Å; K18-H20 PolarHBondContact O-N 3.48Å; K18-G21 PolarHBondContact O-N 3.41Å; K18-A24 HydrophobicContact CD-CB 4.5Å; K18-A24 HydrophobicContact CG-CB 3.87Å |
| 19 | M | 92.7 | Very high | 94.6 | Very high | 158 Ų | 158 | 85.5 Ų | 85.5 | 78% | 0.778 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -61.3 | -38.7 | 176.7 | -71.6 | -62.4 | -59.6 | 0 | 0 | 112.1 | R15 L16 | R15-M19 WeakPolarHBondContact O-CG 3.28Å; R15-M19 PolarHBondContact O-N 3.09Å; L16-M19 WeakPolarHBondContact O-CB 3.41Å; L16-M19 PolarHBondContact O-N 2.88Å; L16-M19 VanDerWaalsContact O-N 3.08Å |
| 20 | H | 91.4 | Very high | 94.6 | Very high | 65 Ų | 65 | 80.7 Ų | 80.7 | 30% | 0.301 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | 14.7 | 178 | -65.5 | -80.8 | 0 | 0 | 0 | 114 | L16 A17 K18 I22 L38 Q42 | L16-H20 PolarHBondContact O-CD2 2.92Å; L16-H20 VanDerWaalsContact O-CD2 3.24Å; L16-H20 PolarHBondContact O-N 2.89Å; A17-H20 CarbonylContact O-C 3.52Å; A17-H20 PolarHBondContact O-N 3.41Å; K18-H20 VanDerWaalsContact C-N 3.31Å; K18-H20 PolarHBondContact O-N 3.48Å; H20-I22 VanDerWaalsContact C-N 3.27Å; H20-I22 HydrophobicContact CB-CD1 4.37Å; H20-I22 HydrophobicContact CB-CG1 4.34Å; H20-I22 PolarHBondContact O-N 3.34Å; H20-L38 HydrophobicContact CB-CD1 4.25Å; H20-Q42 PolarHBondContact CE1-OE1 3.12Å |
| 21 | G | 93.3 | Very high | 94.6 | Very high | 74 Ų | 74 | 75.9 Ų | 75.9 | 76% | 0.763 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 70.6 | 14.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | A17 K18 | A17-G21 PolarHBondContact O-N 2.93Å; A17-G21 VanDerWaalsContact O-N 3.16Å; K18-G21 PolarHBondContact O-N 3.41Å |
| 22 | I | 92.9 | Very high | 94.6 | Very high | 22 Ų | 22 | 75.5 Ų | 75.5 | 11% | 0.113 | 38% | 0.381 | C | S | . | . | trans | -84.1 | 137.6 | 176.7 | -49.2 | 168.6 | 0 | 0 | 0 | 109.8 | A17 H20 A24 L31 K34 L35 L38 | A17-I22 CarbonylContact C-O 3.51Å; A17-I22 HydrophobicContact CB-CB 3.97Å; A17-I22 HydrophobicContact CB-CG2 4.43Å; A17-I22 WeakPolarHBondContact O-CA 3.41Å; A17-I22 WeakPolarHBondContact O-CB 3.46Å; A17-I22 PolarHBondContact O-N 3.25Å; H20-I22 VanDerWaalsContact C-N 3.27Å; H20-I22 HydrophobicContact CB-CD1 4.37Å; H20-I22 HydrophobicContact CB-CG1 4.34Å; H20-I22 PolarHBondContact O-N 3.34Å; I22-A24 PolarHBondContact O-N 3.3Å; I22-L31 HydrophobicContact CG2-CD2 4.17Å; I22-K34 HydrophobicContact CD1-CB 4.11Å; I22-K34 HydrophobicContact CG2-CB 4.47Å; I22-K34 HydrophobicContact CG2-CD 3.89Å; I22-L35 HydrophobicContact CD1-CD2 3.61Å; I22-L35 HydrophobicContact CD1-CG 3.89Å; I22-L38 HydrophobicContact CD1-CD1 3.37Å; I22-L38 HydrophobicContact CG1-CD1 3.6Å | ||
| 23 | K | 95.5 | Very high | 94.6 | Very high | 158 Ų | 158 | 79.9 Ų | 79.9 | 69% | 0.687 | 40% | 0.399 | S | S | * | . | trans | -57.7 | 108.8 | 170.6 | -71.1 | -174.9 | 179.4 | 177.3 | 0 | 110.9 | N25 K26 | K23-N25 VanDerWaalsContact C-N 3.26Å; K23-N25 PolarHBondContact O-N 3.18Å; K23-K26 WeakPolarHBondContact O-CD 3.26Å; K23-K26 WeakPolarHBondContact O-CG 3.1Å | ||
| 24 | A | 92.9 | Very high | 94.5 | Very high | 13 Ų | 13 | 83.5 Ų | 83.5 | 11% | 0.107 | 41% | 0.414 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -3.6 | -175 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q14 A17 K18 I22 K26 | Q14-A24 HydrophobicContact CB-CB 4.14Å; Q14-A24 HydrophobicContact CG-CB 4.17Å; Q14-A24 WeakPolarHBondContact CG-O 3.41Å; Q14-A24 PolarHBondContact NE2-O 3.5Å; A17-A24 HydrophobicContact CB-CB 4.25Å; K18-A24 HydrophobicContact CD-CB 4.5Å; K18-A24 HydrophobicContact CG-CB 3.87Å; I22-A24 PolarHBondContact O-N 3.3Å; A24-K26 PolarHBondContact O-N 3.37Å |
| 25 | N | 93.7 | Very high | 94.4 | Very high | 131 Ų | 131 | 80.9 Ų | 80.9 | 70% | 0.701 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.3 | 23 | -179.9 | 67.1 | -23.2 | 0 | 0 | 0 | 113.6 | K23 | K23-N25 VanDerWaalsContact C-N 3.26Å; K23-N25 PolarHBondContact O-N 3.18Å |
| 26 | K | 94.4 | Very high | 94.3 | Very high | 49 Ų | 49 | 75.9 Ų | 75.9 | 21% | 0.213 | 39% | 0.386 | C | S | . | . | S | Bend | trans | -97 | 160 | -178.7 | -70.9 | 171.6 | 174.2 | -80.4 | 0 | 111.3 | Y10 K23 A24 E30 L31 K34 | Y10-K26 WeakPolarHBondContact CE2-O 3.33Å; Y10-K26 PolarHBondContact OH-O 3Å; K23-K26 WeakPolarHBondContact O-CD 3.26Å; K23-K26 WeakPolarHBondContact O-CG 3.1Å; A24-K26 PolarHBondContact O-N 3.37Å; K26-E30 HydrophobicContact CB-CB 4.37Å; K26-E30 HydrophobicContact CD-CG 4.44Å; K26-E30 IonicContact NZ-OE1 2.61Å; K26-E30 PolarHBondContact NZ-OE1 3.21Å; K26-E30 IonicContact NZ-OE2 3.64Å; K26-L31 HydrophobicContact CB-CD2 3.89Å; K26-L31 HydrophobicContact CB-CG 3.96Å; K26-L31 HydrophobicContact CD-CD2 4.36Å; K26-K34 HydrophobicContact CD-CD 4.05Å |
| 27 | K | 95.9 | Very high | 94.2 | Very high | 165 Ų | 165 | 78.9 Ų | 78.9 | 72% | 0.717 | 40% | 0.401 | S | S | * | . | trans | -60.1 | 149.2 | 173.5 | -68.1 | -176.8 | 179.3 | 179.3 | 0 | 110.2 | S29 E30 L31 | K27-S29 VanDerWaalsContact C-N 3.3Å; K27-S29 PolarHBondContact O-N 3.48Å; K27-E30 PolarHBondContact O-N 3.19Å; K27-L31 PolarHBondContact O-N 3.49Å | ||
| 28 | A | 94.8 | Very high | 94 | Very high | 40 Ų | 40 | 81.9 Ų | 81.9 | 33% | 0.331 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -53.7 | -43.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y10 L13 E30 L31 K32 | Y10-A28 HydrophobicContact CD2-CB 3.71Å; Y10-A28 HydrophobicContact CE2-CB 4.17Å; L13-A28 HydrophobicContact CD1-CB 4.44Å; A28-E30 VanDerWaalsContact C-N 3.32Å; A28-E30 PolarHBondContact O-N 3.19Å; A28-L31 PolarHBondContact O-N 2.95Å; A28-K32 WeakPolarHBondContact O-CG 3.43Å; A28-K32 PolarHBondContact O-N 3.13Å |
| 29 | S | 95.3 | Very high | 93.5 | Very high | 79 Ų | 79 | 76.3 Ų | 76.3 | 55% | 0.552 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.9 | -37 | 177.9 | 53.5 | 0 | 0 | 0 | 0 | 113.2 | K27 K33 | K27-S29 VanDerWaalsContact C-N 3.3Å; K27-S29 PolarHBondContact O-N 3.48Å; S29-K33 WeakPolarHBondContact O-CG 3.35Å; S29-K33 PolarHBondContact O-N 3.13Å |
| 30 | E | 95.5 | Very high | 93.1 | Very high | 76 Ų | 76 | 71.9 Ų | 71.9 | 36% | 0.355 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -73.2 | -37.9 | 178 | -160.6 | -166.9 | 160.5 | 0 | 0 | 111.6 | K26 K27 A28 K34 | K26-E30 HydrophobicContact CB-CB 4.37Å; K26-E30 HydrophobicContact CD-CG 4.44Å; K26-E30 IonicContact NZ-OE1 2.61Å; K26-E30 PolarHBondContact NZ-OE1 3.21Å; K26-E30 IonicContact NZ-OE2 3.64Å; K27-E30 PolarHBondContact O-N 3.19Å; A28-E30 VanDerWaalsContact C-N 3.32Å; A28-E30 PolarHBondContact O-N 3.19Å; E30-K34 WeakPolarHBondContact O-CG 3.46Å; E30-K34 PolarHBondContact O-N 3.18Å; E30-K34 VanDerWaalsContact O-N 3.12Å; E30-K34 WeakPolarHBondContact OE1-CE 3.38Å |
| 31 | L | 96.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 73.7 Ų | 73.7 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 173.8 | -71.2 | 178.5 | 0 | 0 | 0 | 111.4 | Y10 L13 Q14 A17 I22 K26 K27 A28 K33 K34 L35 | Y10-L31 HydrophobicContact CD2-CD1 4.45Å; Y10-L31 HydrophobicContact CE2-CD1 3.86Å; L13-L31 HydrophobicContact CB-CD1 4.38Å; Q14-L31 HydrophobicContact CG-CD1 4.18Å; A17-L31 HydrophobicContact CB-CD2 3.86Å; I22-L31 HydrophobicContact CG2-CD2 4.17Å; K26-L31 HydrophobicContact CB-CD2 3.89Å; K26-L31 HydrophobicContact CB-CG 3.96Å; K26-L31 HydrophobicContact CD-CD2 4.36Å; K27-L31 PolarHBondContact O-N 3.49Å; A28-L31 PolarHBondContact O-N 2.95Å; L31-K33 PolarHBondContact O-N 3.4Å; L31-K34 PolarHBondContact O-N 3.07Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.43Å; L31-L35 PolarHBondContact O-N 2.75Å |
| 32 | K | 95.4 | Very high | 91.8 | Very high | 56 Ų | 56 | 75.4 Ų | 75.4 | 24% | 0.243 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -57 | -48 | 177.2 | -73.2 | -175.6 | 169.5 | -165.7 | 0 | 112.1 | V5 D6 L13 A28 K34 L35 K36 | V5-K32 HydrophobicContact CG1-CB 4.18Å; V5-K32 HydrophobicContact CG1-CG 4.11Å; D6-K32 PolarHBondContact O-NZ 2.96Å; L13-K32 HydrophobicContact CD1-CD 4.45Å; L13-K32 HydrophobicContact CD1-CG 3.81Å; L13-K32 HydrophobicContact CD2-CG 3.97Å; A28-K32 WeakPolarHBondContact O-CG 3.43Å; A28-K32 PolarHBondContact O-N 3.13Å; K32-K34 PolarHBondContact O-N 3.27Å; K32-L35 PolarHBondContact O-N 2.87Å; K32-K36 WeakPolarHBondContact O-CB 3.48Å; K32-K36 PolarHBondContact O-N 3.4Å |
| 33 | K | 94.9 | Very high | 90.6 | Very high | 154 Ų | 154 | 79.6 Ų | 79.6 | 67% | 0.67 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -58.4 | -48.5 | 177.3 | -73.8 | -176.5 | 178.8 | -169.4 | 0 | 112.1 | S29 L31 I37 | S29-K33 WeakPolarHBondContact O-CG 3.35Å; S29-K33 PolarHBondContact O-N 3.13Å; L31-K33 PolarHBondContact O-N 3.4Å; K33-I37 WeakPolarHBondContact O-CG1 3.44Å; K33-I37 PolarHBondContact O-N 3.23Å |
| 34 | K | 94.5 | Very high | 88.9 | Confident | 76 Ų | 76 | 80.2 Ų | 80.2 | 33% | 0.33 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -66.4 | -40.3 | -179.3 | -72.1 | 173.4 | 179 | -83.5 | 0 | 112.6 | I22 K26 E30 L31 K32 I37 L38 | I22-K34 HydrophobicContact CD1-CB 4.11Å; I22-K34 HydrophobicContact CG2-CB 4.47Å; I22-K34 HydrophobicContact CG2-CD 3.89Å; K26-K34 HydrophobicContact CD-CD 4.05Å; E30-K34 WeakPolarHBondContact O-CG 3.46Å; E30-K34 PolarHBondContact O-N 3.18Å; E30-K34 VanDerWaalsContact O-N 3.12Å; E30-K34 WeakPolarHBondContact OE1-CE 3.38Å; L31-K34 PolarHBondContact O-N 3.07Å; K32-K34 PolarHBondContact O-N 3.27Å; K34-I37 PolarHBondContact O-N 3.47Å; K34-L38 PolarHBondContact O-N 3.4Å; K34-L38 VanDerWaalsContact O-N 3.12Å |
| 35 | L | 94.2 | Very high | 87.1 | Confident | 0 Ų | 0 | 82.7 Ų | 82.7 | 0% | 0 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -67.3 | -41.9 | 178 | -76.8 | 167.9 | 0 | 0 | 0 | 111.8 | V5 L13 L16 I22 L31 K32 I37 L38 L39 | V5-L35 HydrophobicContact CG1-CB 4.01Å; V5-L35 HydrophobicContact CG2-CB 4.47Å; L13-L35 HydrophobicContact CD2-CD1 3.78Å; L16-L35 HydrophobicContact CB-CD1 4.09Å; L16-L35 HydrophobicContact CB-CD2 4.01Å; I22-L35 HydrophobicContact CD1-CD2 3.61Å; I22-L35 HydrophobicContact CD1-CG 3.89Å; L31-L35 WeakPolarHBondContact O-CB 3.44Å; L31-L35 WeakPolarHBondContact O-CG 3.43Å; L31-L35 PolarHBondContact O-N 2.75Å; K32-L35 PolarHBondContact O-N 2.87Å; L35-I37 PolarHBondContact O-N 2.93Å; L35-L38 PolarHBondContact O-N 3.27Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 3.39Å |
| 36 | K | 93.1 | Very high | 85.3 | Confident | 90 Ų | 90 | 81.1 Ų | 81.1 | 39% | 0.391 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -56.7 | -48.2 | 173.3 | -86.7 | -178.4 | 171.7 | 176.4 | 0 | 111.8 | V5 D6 K32 L38 L39 C40 | V5-K36 HydrophobicContact CB-CG 4.24Å; V5-K36 HydrophobicContact CG1-CG 4.45Å; V5-K36 HydrophobicContact CG2-CG 4.31Å; D6-K36 IonicContact OD1-NZ 3.18Å; D6-K36 PolarHBondContact OD1-NZ 2.98Å; D6-K36 WeakPolarHBondContact OD2-CE 3.15Å; D6-K36 IonicContact OD2-NZ 2.61Å; D6-K36 PolarHBondContact OD2-NZ 3.12Å; K32-K36 WeakPolarHBondContact O-CB 3.48Å; K32-K36 PolarHBondContact O-N 3.4Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.12Å; K36-L39 PolarHBondContact O-N 3.47Å; K36-C40 WeakPolarHBondContact O-CB 3.32Å; K36-C40 PolarHBondContact O-N 2.92Å; K36-C40 PolarHBondContact O-SG 3.18Å |
| 37 | I | 91.6 | Very high | 83.1 | Confident | 104 Ų | 104 | 84.8 Ų | 84.8 | 53% | 0.533 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -58.2 | -46.1 | 178 | -66.4 | 164.1 | 0 | 0 | 0 | 111.1 | K33 K34 L35 C40 I41 | K33-I37 WeakPolarHBondContact O-CG1 3.44Å; K33-I37 PolarHBondContact O-N 3.23Å; K34-I37 PolarHBondContact O-N 3.47Å; L35-I37 PolarHBondContact O-N 2.93Å; I37-C40 PolarHBondContact O-N 2.89Å; I37-I41 HydrophobicContact CG2-CD1 3.81Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.37Å; I37-I41 PolarHBondContact O-N 3.3Å |
| 38 | L | 89 | Confident | 80.4 | Confident | 63 Ų | 63 | 79.9 Ų | 79.9 | 33% | 0.33 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.4 | -39.9 | -178.2 | -77.8 | 165.4 | 0 | 0 | 0 | 113.3 | H20 I22 K34 L35 K36 I41 Q42 | H20-L38 HydrophobicContact CB-CD1 4.25Å; I22-L38 HydrophobicContact CD1-CD1 3.37Å; I22-L38 HydrophobicContact CG1-CD1 3.6Å; K34-L38 PolarHBondContact O-N 3.4Å; K34-L38 VanDerWaalsContact O-N 3.12Å; L35-L38 PolarHBondContact O-N 3.27Å; K36-L38 VanDerWaalsContact C-N 3.33Å; K36-L38 PolarHBondContact O-N 3.12Å; L38-I41 PolarHBondContact O-N 3.12Å; L38-Q42 WeakPolarHBondContact O-CB 3.47Å; L38-Q42 PolarHBondContact O-N 2.61Å |
| 39 | L | 87 | Confident | 77.7 | Confident | 30 Ų | 30 | 84.6 Ų | 84.6 | 16% | 0.157 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -66 | -41.1 | 176 | -76.1 | 161.4 | 0 | 0 | 0 | 110.9 | V5 L35 K36 I41 Q42 E43 | V5-L39 HydrophobicContact CG2-CD1 3.37Å; L35-L39 WeakPolarHBondContact O-CB 3.44Å; L35-L39 WeakPolarHBondContact O-CG 3.41Å; L35-L39 PolarHBondContact O-N 3.39Å; K36-L39 PolarHBondContact O-N 3.47Å; L39-I41 PolarHBondContact O-N 3.48Å; L39-Q42 PolarHBondContact O-N 3.48Å; L39-E43 WeakPolarHBondContact O-CG 3.45Å; L39-E43 PolarHBondContact O-N 3.3Å |
| 40 | C | 84.3 | Confident | 75.5 | Confident | 64 Ų | 64 | 90.1 Ų | 90.1 | 43% | 0.432 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.8 | -48.6 | 172.3 | -69.2 | 0 | 0 | 0 | 0 | 111.3 | K36 I37 Q42 E43 F44 | K36-C40 WeakPolarHBondContact O-CB 3.32Å; K36-C40 PolarHBondContact O-N 2.92Å; K36-C40 PolarHBondContact O-SG 3.18Å; I37-C40 PolarHBondContact O-N 2.89Å; C40-Q42 VanDerWaalsContact C-N 3.28Å; C40-Q42 PolarHBondContact O-N 3.23Å; C40-E43 PolarHBondContact O-N 3.48Å; C40-F44 WeakPolarHBondContact O-CD2 3.39Å; C40-F44 PolarHBondContact O-N 3.03Å |
| 41 | I | 82.9 | Confident | 73 | Confident | 104 Ų | 104 | 94.6 Ų | 94.6 | 53% | 0.533 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 178.4 | -67.1 | 164.3 | 0 | 0 | 0 | 111.3 | I37 L38 L39 E43 F44 G45 | I37-I41 HydrophobicContact CG2-CD1 3.81Å; I37-I41 VanDerWaalsContact O-CG1 3.26Å; I37-I41 WeakPolarHBondContact O-CG1 3.37Å; I37-I41 PolarHBondContact O-N 3.3Å; L38-I41 PolarHBondContact O-N 3.12Å; L39-I41 PolarHBondContact O-N 3.48Å; I41-E43 VanDerWaalsContact C-N 3.34Å; I41-F44 PolarHBondContact O-N 2.94Å; I41-G45 PolarHBondContact O-N 2.93Å |
| 42 | Q | 73.5 | Confident | 70.5 | Confident | 109 Ų | 109 | 97.9 Ų | 97.9 | 51% | 0.509 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -67.7 | -34.3 | 179.7 | -172.5 | 168.2 | -3 | 0 | 0 | 112.4 | H20 L38 L39 C40 G45 S46 | H20-Q42 PolarHBondContact CE1-OE1 3.12Å; L38-Q42 WeakPolarHBondContact O-CB 3.47Å; L38-Q42 PolarHBondContact O-N 2.61Å; L39-Q42 PolarHBondContact O-N 3.48Å; C40-Q42 VanDerWaalsContact C-N 3.28Å; C40-Q42 PolarHBondContact O-N 3.23Å; Q42-G45 PolarHBondContact O-N 2.92Å; Q42-S46 WeakPolarHBondContact O-CB 3.37Å; Q42-S46 PolarHBondContact O-N 3.24Å |
| 43 | E | 67 | Low | 67.8 | Low | 110 Ų | 110 | 104 Ų | 104 | 51% | 0.514 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -67.6 | -35.5 | 174.2 | -73.1 | 178.5 | 174.4 | 0 | 0 | 111.9 | L39 C40 I41 | L39-E43 WeakPolarHBondContact O-CG 3.45Å; L39-E43 PolarHBondContact O-N 3.3Å; C40-E43 PolarHBondContact O-N 3.48Å; I41-E43 VanDerWaalsContact C-N 3.34Å |
| 44 | F | 60 | Low | 65.2 | Low | 171 Ų | 171 | 103.1 Ų | 103.1 | 75% | 0.75 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -79.9 | -24.6 | 175.3 | -71.8 | -71.4 | 0 | 0 | 0 | 114.3 | C40 I41 | C40-F44 WeakPolarHBondContact O-CD2 3.39Å; C40-F44 PolarHBondContact O-N 3.03Å; I41-F44 PolarHBondContact O-N 2.94Å |
| 45 | G | 56.5 | Low | 62.6 | Low | 65 Ų | 65 | 103.4 Ų | 103.4 | 67% | 0.67 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -87.3 | -8.3 | -177.8 | 0 | 0 | 0 | 0 | 0 | 115.4 | I41 Q42 | I41-G45 PolarHBondContact O-N 2.93Å; Q42-G45 PolarHBondContact O-N 2.92Å |
| 46 | S | 55 | Low | 60.2 | Low | 99 Ų | 99 | 110.8 Ų | 110.8 | 69% | 0.692 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -104.7 | 3.4 | -172 | -150.5 | 0 | 0 | 0 | 0 | 114.6 | Q42 | Q42-S46 WeakPolarHBondContact O-CB 3.37Å; Q42-S46 PolarHBondContact O-N 3.24Å |
| 47 | T | 48 | Very low | 57.9 | Low | 125 Ų | 125 | 111.1 Ų | 111.1 | 77% | 0.767 | 66% | 0.656 | S | S | * | * | trans | -105.5 | 71.9 | 173.1 | 56.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 48 | G | 39.8 | Very low | 55.8 | Low | 63 Ų | 63 | 114 Ų | 114 | 65% | 0.649 | 67% | 0.667 | S | S | * | * | trans | -160 | 33.3 | -174 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 49 | T | 38.4 | Very low | 53.8 | Low | 138 Ų | 138 | 116.1 Ų | 116.1 | 85% | 0.847 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -174.5 | 89.5 | 165.1 | 22.2 | 0 | 0 | 0 | 0 | 107.6 | ||
| 50 | Q | 47.6 | Very low | 51.8 | Low | 196 Ų | 196 | 120.2 Ų | 120.2 | 92% | 0.916 | 71% | 0.713 | S | S | * | * | trans | -169.8 | 121 | 138 | -76.9 | -134.4 | -6.4 | 0 | 0 | 107.4 | ||||
| 51 | N | 43 | Very low | 50.1 | Low | 170 Ų | 170 | 125.5 Ų | 125.5 | 91% | 0.909 | 73% | 0.732 | S | S | * | * | trans | -75.2 | 152.9 | 174.7 | -58.9 | -35.3 | 0 | 0 | 0 | 110 | ||||
| 52 | G | 43.5 | Very low | 48.5 | Very low | 68 Ų | 68 | 125.8 Ų | 125.8 | 70% | 0.701 | 74% | 0.743 | S | S | * | * | trans | 112.9 | 86.2 | 169.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 53 | E | 39.8 | Very low | 47.5 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 76% | 0.758 | S | S | * | * | 75.7 | 97.5 | 92.8 | -168 | 174.7 | -168.2 | 0 | 0 | 111.6 | |||||
| 54 | T | 40.1 | Very low | 46.6 | Very low | 136 Ų | 136 | 133.4 Ų | 133.4 | 83% | 0.834 | 78% | 0.776 | S | S | * | * | 167.3 | 131.7 | 117.2 | -53.3 | 0 | 0 | 0 | 0 | 109.1 | |||||
| 55 | A | 40.2 | Very low | 46.1 | Very low | 82 Ų | 82 | 130.8 Ų | 130.8 | 68% | 0.678 | 78% | 0.779 | S | S | * | * | trans | -64.8 | 154.3 | -176.5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 56 | L | 42.7 | Very low | 45.6 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 81% | 0.812 | 78% | 0.781 | S | S | * | * | 172.4 | 126.1 | 111.9 | -94.6 | 156.4 | 0 | 0 | 0 | 111.5 | |||||
| 57 | S | 46 | Very low | 45.5 | Very low | 98 Ų | 98 | 137.7 Ų | 137.7 | 69% | 0.685 | 79% | 0.791 | S | S | * | * | trans | 50.6 | 139 | 134.2 | -80.9 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 58 | E | 46.7 | Very low | 45.4 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 77% | 0.771 | 79% | 0.793 | S | S | * | * | cis | -178.6 | 158.3 | 6.2 | -156.2 | 170.9 | 162.7 | 0 | 0 | 107 | ||||
| 59 | S | 47 | Very low | 45.5 | Very low | 107 Ų | 107 | 142.6 Ų | 142.6 | 75% | 0.748 | 80% | 0.797 | S | S | * | * | trans | 81.8 | 136.2 | 147.8 | 90.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 60 | V | 45.9 | Very low | 46.2 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 70% | 0.703 | 79% | 0.794 | S | S | * | * | cis | -156.7 | 139 | 14.2 | 168.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 61 | E | 47.5 | Very low | 46.1 | Very low | 175 Ų | 175 | 139.7 Ų | 139.7 | 82% | 0.818 | 79% | 0.788 | S | S | * | * | trans | 16.3 | 132.4 | 149.1 | -55.5 | 173 | 133.4 | 0 | 0 | 122.4 | ||||
| 62 | S | 50.8 | Low | 46.4 | Very low | 110 Ų | 110 | 141.3 Ų | 141.3 | 77% | 0.769 | 79% | 0.787 | S | S | * | * | -174.2 | 127.2 | 104.8 | 34.5 | 0 | 0 | 0 | 0 | 114.8 | |||||
| 63 | K | 51.1 | Low | 46.6 | Very low | 190 Ų | 190 | 143.4 Ų | 143.4 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | 70.9 | 97.5 | 141.9 | -65.3 | -176.5 | 177.5 | -178.4 | 0 | 121.2 | ||||
| 64 | E | 48.7 | Very low | 47.1 | Very low | 189 Ų | 189 | 144.2 Ų | 144.2 | 88% | 0.883 | 79% | 0.788 | S | S | * | * | 43.9 | 112.4 | 115.8 | -70.5 | 179.8 | 140.4 | 0 | 0 | 119.4 | |||||
| 65 | S | 49.4 | Very low | 47.4 | Very low | 116 Ų | 116 | 145.3 Ų | 145.3 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -160.4 | 102.2 | 142.4 | 174.1 | 0 | 0 | 0 | 0 | 109 | ||||
| 66 | S | 46.5 | Very low | 48.1 | Very low | 103 Ų | 103 | 147.3 Ų | 147.3 | 72% | 0.72 | 79% | 0.794 | S | S | * | * | trans | -94.9 | 125.9 | -178.4 | 147.2 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 67 | F | 53.1 | Low | 48.3 | Very low | 205 Ų | 205 | 144.6 Ų | 144.6 | 90% | 0.899 | 79% | 0.794 | S | S | * | * | trans | -134.6 | 107.1 | 154 | -89.5 | -82.9 | 0 | 0 | 0 | 110 | ||||
| 68 | K | 45.2 | Very low | 48.4 | Very low | 185 Ų | 185 | 143.7 Ų | 143.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -59.1 | 127.1 | 163.4 | -95 | 177.2 | 169.7 | 179 | 0 | 109.5 | ||||
| 69 | S | 43.2 | Very low | 48.5 | Very low | 106 Ų | 106 | 143.3 Ų | 143.3 | 74% | 0.741 | 80% | 0.803 | S | S | * | * | 63.8 | 116.7 | 94.7 | -61.1 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 70 | T | 52.4 | Low | 48.7 | Very low | 128 Ų | 128 | 147.7 Ų | 147.7 | 79% | 0.785 | 81% | 0.812 | S | S | * | * | trans | -166.1 | 122.8 | 132.7 | 30 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 71 | D | 45.3 | Very low | 48.9 | Very low | 146 Ų | 146 | 150.1 Ų | 150.1 | 78% | 0.781 | 82% | 0.816 | S | S | * | * | trans | 67.6 | 109.4 | 134.7 | -56.9 | -22.9 | 0 | 0 | 0 | 122.4 | ||||
| 72 | K | 50.3 | Low | 49.4 | Very low | 204 Ų | 204 | 149.7 Ų | 149.7 | 89% | 0.887 | 82% | 0.819 | S | S | * | * | trans | -95.4 | 146.1 | 133.6 | -70.6 | -174.8 | 176.6 | -177.9 | 0 | 107.6 | ||||
| 73 | P | 46.9 | Very low | 49.6 | Very low | 112 Ų | 112 | 152.7 Ų | 152.7 | 73% | 0.727 | 82% | 0.818 | S | S | * | * | -150.5 | 164.5 | 106.4 | 36.5 | -19 | 0 | 0 | 0 | 116.4 | |||||
| 74 | K | 50 | Low | 49.7 | Very low | 201 Ų | 201 | 150.5 Ų | 150.5 | 87% | 0.874 | 81% | 0.811 | S | S | * | * | trans | 80.1 | 117 | 144 | -116.2 | 166 | 176.3 | 173.5 | 0 | 121.2 | ||||
| 75 | L | 47.2 | Very low | 49.9 | Very low | 159 Ų | 159 | 147.7 Ų | 147.7 | 83% | 0.832 | 80% | 0.802 | S | S | * | * | trans | -69.4 | 162 | 151.6 | -69.9 | 164 | 0 | 0 | 0 | 110.3 | ||||
| 76 | P | 55.3 | Low | 49.6 | Very low | 124 Ų | 124 | 149.6 Ų | 149.6 | 81% | 0.805 | 80% | 0.803 | S | S | * | * | -140.8 | 164.7 | 104.7 | 35.5 | -20.4 | 0 | 0 | 0 | 114.8 | |||||
| 77 | A | 46 | Very low | 49.5 | Very low | 97 Ų | 97 | 147.8 Ų | 147.8 | 80% | 0.802 | 80% | 0.801 | S | S | * | * | trans | -60.8 | 148.1 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 78 | G | 47.4 | Very low | 49.3 | Very low | 79 Ų | 79 | 146.6 Ų | 146.6 | 81% | 0.814 | 80% | 0.802 | S | S | * | * | trans | -134.4 | 108.9 | 166.9 | 0 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 79 | D | 48.7 | Very low | 49 | Very low | 157 Ų | 157 | 144.5 Ų | 144.5 | 84% | 0.84 | 81% | 0.805 | S | S | * | * | trans | -68.4 | 140.7 | 168 | -64.3 | -48.9 | 0 | 0 | 0 | 110.3 | ||||
| 80 | Q | 50.8 | Low | 49 | Very low | 200 Ų | 200 | 145 Ų | 145 | 94% | 0.935 | 81% | 0.808 | S | S | * | * | trans | -158.1 | 116.5 | 139.1 | -123.9 | 176.3 | -2.2 | 0 | 0 | 111.4 | ||||
| 81 | E | 52 | Low | 48.6 | Very low | 166 Ų | 166 | 145.2 Ų | 145.2 | 78% | 0.776 | 81% | 0.81 | S | S | * | * | trans | -56.9 | 153.7 | 167.9 | -61.1 | 174.1 | 128.7 | 0 | 0 | 111.5 | ||||
| 82 | N | 57.3 | Low | 48.6 | Very low | 166 Ų | 166 | 143.4 Ų | 143.4 | 89% | 0.888 | 81% | 0.806 | S | S | * | * | trans | -159.8 | 115.6 | 133.6 | -83 | -32 | 0 | 0 | 0 | 109.3 | ||||
| 83 | K | 54.1 | Low | 48.4 | Very low | 173 Ų | 173 | 142.2 Ų | 142.2 | 75% | 0.752 | 80% | 0.801 | S | S | * | * | trans | -58.4 | 161.7 | 159.7 | -64.8 | 174.6 | 171 | 177.2 | 0 | 109.1 | ||||
| 84 | E | 54.7 | Low | 48.5 | Very low | 144 Ų | 144 | 143.1 Ų | 143.1 | 67% | 0.673 | 80% | 0.8 | S | S | * | * | 166.8 | 135.3 | 53.3 | -135.4 | 165.1 | -142.2 | 0 | 0 | 101.5 | |||||
| 85 | N | 51.3 | Low | 48.5 | Very low | 130 Ų | 130 | 140.6 Ų | 140.6 | 70% | 0.695 | 80% | 0.796 | S | S | * | * | 165.5 | 152.8 | 90.3 | -89.3 | -42.4 | 0 | 0 | 0 | 109.6 | |||||
| 86 | D | 43.9 | Very low | 48.4 | Very low | 156 Ų | 156 | 140.8 Ų | 140.8 | 83% | 0.834 | 80% | 0.797 | S | S | * | * | trans | -48.2 | 148.8 | 175.4 | -52 | -66.2 | 0 | 0 | 0 | 113.7 | ||||
| 87 | G | 44.4 | Very low | 48 | Very low | 65 Ų | 65 | 144.3 Ų | 144.3 | 67% | 0.67 | 80% | 0.803 | S | S | * | * | 99.1 | 102 | 53.2 | 0 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 88 | I | 48 | Very low | 48 | Very low | 181 Ų | 181 | 143.6 Ų | 143.6 | 93% | 0.928 | 80% | 0.797 | S | S | * | * | trans | -178.4 | 146.5 | 146.8 | 40.7 | 172.9 | 0 | 0 | 0 | 111.6 | ||||
| 89 | T | 39.3 | Very low | 48 | Very low | 140 Ų | 140 | 145 Ų | 145 | 86% | 0.859 | 79% | 0.794 | S | S | * | * | trans | -91.9 | 133.5 | -174.2 | -23.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 90 | S | 44.6 | Very low | 47.9 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 81% | 0.811 | 79% | 0.794 | S | S | * | * | trans | 179.6 | 117.3 | 148.3 | 42.7 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 91 | T | 42.4 | Very low | 47.5 | Very low | 134 Ų | 134 | 139.3 Ų | 139.3 | 82% | 0.822 | 78% | 0.783 | S | S | * | * | trans | -74.7 | -179.1 | 155.2 | 49.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 92 | P | 47 | Very low | 47.4 | Very low | 108 Ų | 108 | 139.4 Ų | 139.4 | 70% | 0.701 | 79% | 0.788 | S | S | * | * | cis | -132.2 | 166.9 | -11.8 | 33 | -14 | 0 | 0 | 0 | 114 | ||||
| 93 | K | 45.5 | Very low | 46.9 | Very low | 178 Ų | 178 | 138.1 Ų | 138.1 | 77% | 0.774 | 78% | 0.781 | S | S | * | * | 157 | 123.7 | 128.1 | -88.2 | 178 | -179.8 | 176.4 | 0 | 112.4 | |||||
| 94 | D | 48.2 | Very low | 46.4 | Very low | 132 Ų | 132 | 140.7 Ų | 140.7 | 71% | 0.706 | 79% | 0.786 | S | S | * | * | trans | 64.7 | 133.4 | 139.7 | -50.3 | -29.6 | 0 | 0 | 0 | 121.1 | ||||
| 95 | D | 50.3 | Low | 45.8 | Very low | 148 Ų | 148 | 139.3 Ų | 139.3 | 79% | 0.791 | 79% | 0.787 | S | S | * | * | trans | 98.5 | 103.9 | 155.6 | -52.9 | -25.8 | 0 | 0 | 0 | 120.1 | ||||
| 96 | D | 45.7 | Very low | 45.7 | Very low | 162 Ų | 162 | 143.6 Ų | 143.6 | 87% | 0.866 | 80% | 0.795 | S | S | * | * | trans | 68.5 | 75.4 | 146.1 | -61.9 | -22.6 | 0 | 0 | 0 | 121.4 | ||||
| 97 | E | 46 | Very low | 46 | Very low | 198 Ų | 198 | 144.9 Ų | 144.9 | 93% | 0.925 | 80% | 0.796 | S | S | * | * | trans | -84.2 | 147 | 148.3 | -92.6 | -173 | 164.5 | 0 | 0 | 109.7 | ||||
| 98 | A | 46.1 | Very low | 46.3 | Very low | 82 Ų | 82 | 149 Ų | 149 | 68% | 0.678 | 80% | 0.802 | S | S | * | * | cis | -158.5 | 139.9 | 12.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | C100 | A98-C100 PolarHBondContact O-N 2.96Š| ||
| 99 | S | 47.6 | Very low | 46.5 | Very low | 108 Ų | 108 | 146.1 Ų | 146.1 | 76% | 0.755 | 80% | 0.798 | S | S | * | * | trans | -58.3 | 125.2 | 159.6 | 55.8 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 100 | C | 47.4 | Very low | 47.2 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 84% | 0.838 | 79% | 0.79 | S | S | * | * | trans | -119.5 | 96.3 | 154.1 | -90.9 | 0 | 0 | 0 | 0 | 108.4 | A98 L102 | A98-C100 PolarHBondContact O-N 2.96Å; C100-L102 PolarHBondContact O-N 3.37Å | ||
| 101 | V | 42.9 | Very low | 48 | Very low | 115 Ų | 115 | 144.5 Ų | 144.5 | 70% | 0.697 | 79% | 0.789 | S | S | * | * | trans | -59.9 | 112.6 | 171.6 | 175.8 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 102 | L | 49.3 | Very low | 48 | Very low | 168 Ų | 168 | 146 Ų | 146 | 88% | 0.88 | 79% | 0.791 | S | S | * | * | trans | -121.5 | 85.9 | 163.9 | -97.5 | 165.3 | 0 | 0 | 0 | 109 | C100 R104 | C100-L102 PolarHBondContact O-N 3.37Å; L102-R104 PolarHBondContact O-N 3.46Å | ||
| 103 | N | 45.7 | Very low | 47.9 | Very low | 138 Ų | 138 | 147 Ų | 147 | 74% | 0.738 | 80% | 0.796 | S | S | * | * | trans | -72.9 | 115.3 | 163.8 | -76.7 | -35.2 | 0 | 0 | 0 | 109.7 | ||||
| 104 | R | 44.9 | Very low | 47.6 | Very low | 227 Ų | 227 | 144.2 Ų | 144.2 | 86% | 0.857 | 80% | 0.797 | S | S | * | * | 170.5 | 103.5 | 127.2 | -96.3 | 173.2 | 174.2 | 164.2 | -0.3 | 113 | L102 | L102-R104 PolarHBondContact O-N 3.46Š| |||
| 105 | T | 41.3 | Very low | 47.1 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 71% | 0.706 | 80% | 0.795 | S | S | * | * | 57.7 | 95 | 125.6 | -31.2 | 0 | 0 | 0 | 0 | 118.4 | |||||
| 106 | Y | 50 | Low | 46.9 | Very low | 220 Ų | 220 | 145.2 Ų | 145.2 | 86% | 0.863 | 80% | 0.799 | S | S | * | * | trans | -137.8 | 101.5 | 143 | -82.6 | -80.3 | 0 | 0 | 0 | 108.8 | L108 | Y106-L108 PolarHBondContact O-N 3.24Š| ||
| 107 | E | 50.2 | Low | 46.9 | Very low | 184 Ų | 184 | 145.2 Ų | 145.2 | 86% | 0.86 | 79% | 0.794 | S | S | * | * | trans | -65.1 | 107.7 | 163.4 | -73.9 | -101.8 | 154.4 | 0 | 0 | 108.4 | ||||
| 108 | L | 50.3 | Low | 46.6 | Very low | 152 Ų | 152 | 142.3 Ų | 142.3 | 80% | 0.796 | 79% | 0.785 | S | S | * | * | trans | -102.6 | 96.5 | 164.9 | -76.8 | 171 | 0 | 0 | 0 | 107.9 | Y106 S110 | Y106-L108 PolarHBondContact O-N 3.24Å; L108-S110 PolarHBondContact O-N 3.34Å | ||
| 109 | S | 51.4 | Low | 46.4 | Very low | 119 Ų | 119 | 144.9 Ų | 144.9 | 83% | 0.832 | 79% | 0.792 | S | S | * | * | trans | -62.7 | 114.4 | 167.9 | -168.3 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 110 | S | 55 | Low | 46.2 | Very low | 98 Ų | 98 | 146.9 Ų | 146.9 | 69% | 0.685 | 79% | 0.793 | S | S | * | * | trans | -87.3 | 134.8 | 176.5 | -61.9 | 0 | 0 | 0 | 0 | 109.7 | L108 | L108-S110 PolarHBondContact O-N 3.34Š| ||
| 111 | P | 60.1 | Low | 46 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 81% | 0.805 | 79% | 0.792 | S | S | * | * | trans | -77 | 125.8 | 165.5 | -3.2 | 20.1 | 0 | 0 | 0 | 109.5 | V113 | P111-V113 PolarHBondContact O-N 3.39Š| ||
| 112 | L | 44.3 | Very low | 45.7 | Very low | 165 Ų | 165 | 151.4 Ų | 151.4 | 86% | 0.864 | 80% | 0.8 | S | S | * | * | trans | -44.1 | 132.1 | 171.5 | -95.2 | 87.1 | 0 | 0 | 0 | 112.6 | ||||
| 113 | V | 43.6 | Very low | 45.3 | Very low | 131 Ų | 131 | 150.1 Ų | 150.1 | 79% | 0.794 | 80% | 0.799 | S | S | * | * | trans | -80.9 | 122.1 | 151.2 | 174.4 | 0 | 0 | 0 | 0 | 106.7 | P111 | P111-V113 PolarHBondContact O-N 3.39Š| ||
| 114 | C | 40.5 | Very low | 45 | Very low | 119 Ų | 119 | 150.7 Ų | 150.7 | 80% | 0.804 | 80% | 0.8 | S | S | * | * | trans | -119.3 | 110.8 | 162.3 | -161.4 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 115 | C | 36.7 | Very low | 44.9 | Very low | 98 Ų | 98 | 148.7 Ų | 148.7 | 66% | 0.662 | 80% | 0.798 | S | S | * | * | trans | -63.6 | 151.8 | 174.2 | -52.2 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 116 | K | 46 | Very low | 44.8 | Very low | 202 Ų | 202 | 151.7 Ų | 151.7 | 88% | 0.878 | 80% | 0.804 | S | S | * | * | -152.6 | 147.7 | 126 | -78.6 | -139.2 | 176.1 | -171.6 | 0 | 110.8 | |||||
| 117 | E | 46.6 | Very low | 44.2 | Very low | 162 Ų | 162 | 151.9 Ų | 151.9 | 76% | 0.757 | 81% | 0.805 | S | S | * | * | trans | -73.9 | 160.1 | -161.1 | -80.3 | 146.6 | 146.8 | 0 | 0 | 116.6 | ||||
| 118 | D | 39.6 | Very low | 43.9 | Very low | 137 Ų | 137 | 148.3 Ų | 148.3 | 73% | 0.733 | 80% | 0.8 | S | S | * | * | trans | 55 | 117.1 | 139.2 | -56.2 | -17.3 | 0 | 0 | 0 | 120 | ||||
| 119 | T | 41.3 | Very low | 43.3 | Very low | 136 Ų | 136 | 149.8 Ų | 149.8 | 83% | 0.834 | 80% | 0.803 | S | S | * | * | 176.7 | 138.7 | 103.3 | -70.2 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 120 | I | 42.5 | Very low | 43.1 | Very low | 151 Ų | 151 | 149.6 Ų | 149.6 | 77% | 0.774 | 80% | 0.801 | S | S | * | * | trans | -57.5 | 135.2 | -179.6 | -55.1 | 160.9 | 0 | 0 | 0 | 111.7 | ||||
| 121 | Q | 44.1 | Very low | 42.3 | Very low | 174 Ų | 174 | 155.9 Ų | 155.9 | 81% | 0.813 | 81% | 0.81 | S | S | * | * | 165.5 | 130.6 | 123.5 | -89.4 | -173.7 | 9.2 | 0 | 0 | 112.3 | |||||
| 122 | N | 37.1 | Very low | 41.7 | Very low | 160 Ų | 160 | 159.5 Ų | 159.5 | 86% | 0.856 | 81% | 0.813 | S | S | * | * | trans | -54.5 | 133.3 | 165.8 | -80.4 | -33.8 | 0 | 0 | 0 | 111 | ||||
| 123 | T | 40.5 | Very low | 41.6 | Very low | 141 Ų | 141 | 158.7 Ų | 158.7 | 87% | 0.865 | 81% | 0.809 | S | S | * | * | trans | -159.3 | 133.4 | 138.3 | 8.9 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 124 | I | 38.9 | Very low | 41.8 | Very low | 149 Ų | 149 | 157.3 Ų | 157.3 | 76% | 0.764 | 81% | 0.805 | S | S | * | * | trans | -61.8 | 143.7 | 170.8 | -72.8 | 154.9 | 0 | 0 | 0 | 110.1 | ||||
| 125 | K | 43.3 | Very low | 42 | Very low | 185 Ų | 185 | 158.5 Ų | 158.5 | 80% | 0.804 | 81% | 0.808 | S | S | * | * | trans | 104.9 | 141.5 | 160.8 | -76.7 | 156.7 | -178.5 | -172.6 | 0 | 118.3 | ||||
| 126 | Q | 39.1 | Very low | 42.7 | Very low | 178 Ų | 178 | 157.7 Ų | 157.7 | 83% | 0.832 | 81% | 0.809 | S | S | * | * | trans | 93 | 94.3 | 149.2 | -81.3 | 167.1 | -32.3 | 0 | 0 | 119.1 | ||||
| 127 | Y | 36.7 | Very low | 43.2 | Very low | 225 Ų | 225 | 157.6 Ų | 157.6 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | -2.1 | 124.7 | 128.3 | -77.3 | -94.2 | 0 | 0 | 0 | 116.1 | |||||
| 128 | S | 43.5 | Very low | 43.7 | Very low | 108 Ų | 108 | 159.2 Ų | 159.2 | 76% | 0.755 | 81% | 0.813 | S | S | * | * | trans | -170.2 | 98 | 134.9 | -72.8 | 0 | 0 | 0 | 0 | 106.3 | ||||
| 129 | E | 39 | Very low | 44.4 | Very low | 184 Ų | 184 | 158.4 Ų | 158.4 | 86% | 0.86 | 82% | 0.815 | S | S | * | * | 70.7 | 88.7 | 92.6 | -162.2 | 159.2 | -136.7 | 0 | 0 | 112.3 | |||||
| 130 | S | 47.3 | Very low | 45 | Very low | 115 Ų | 115 | 156.5 Ų | 156.5 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -156.3 | 73 | 152.1 | 29.9 | 0 | 0 | 0 | 0 | 108.7 | K132 | S130-K132 PolarHBondContact O-N 2.98Š| ||
| 131 | R | 37.8 | Very low | 45.7 | Very low | 229 Ų | 229 | 156.1 Ų | 156.1 | 86% | 0.864 | 81% | 0.812 | S | S | * | * | trans | -64.5 | 82 | 161.9 | -75.5 | -179.1 | -175.6 | 174.8 | 3.5 | 109 | L133 | R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 3.26Å | ||
| 132 | K | 47.2 | Very low | 46.6 | Very low | 200 Ų | 200 | 152.5 Ų | 152.5 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -84.9 | 87.2 | 150.7 | -81.7 | -175.3 | 177.9 | 178.5 | 0 | 107.3 | S130 S134 | S130-K132 PolarHBondContact O-N 2.98Å; K132-S134 PolarHBondContact O-N 2.76Å | ||
| 133 | L | 42.3 | Very low | 47.6 | Very low | 148 Ų | 148 | 154.5 Ų | 154.5 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | -65.1 | 78.2 | 165.5 | -75.4 | 161.3 | 0 | 0 | 0 | 108.1 | R131 V135 | R131-L133 VanDerWaalsContact C-N 3.31Å; R131-L133 PolarHBondContact O-N 3.26Å; L133-V135 PolarHBondContact O-N 3.16Å | ||
| 134 | S | 47.1 | Very low | 49.1 | Very low | 103 Ų | 103 | 153.3 Ų | 153.3 | 72% | 0.72 | 80% | 0.795 | S | S | * | * | trans | -62.3 | 118.5 | 158.7 | 62.3 | 0 | 0 | 0 | 0 | 106.1 | K132 A136 | K132-S134 PolarHBondContact O-N 2.76Å; S134-A136 PolarHBondContact O-N 2.96Å | ||
| 135 | V | 45.1 | Very low | 51.2 | Low | 143 Ų | 143 | 153 Ų | 153 | 87% | 0.867 | 79% | 0.794 | S | S | * | * | trans | -60.8 | 83.6 | 175.8 | -177.5 | 0 | 0 | 0 | 0 | 107.9 | L133 K137 | L133-V135 PolarHBondContact O-N 3.16Å; V135-K137 PolarHBondContact O-N 3.28Å | ||
| 136 | A | 51.5 | Low | 53.1 | Low | 82 Ų | 82 | 147.8 Ų | 147.8 | 68% | 0.678 | 78% | 0.778 | S | S | * | * | trans | -67.9 | 103.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 106.4 | S134 K138 | S134-A136 PolarHBondContact O-N 2.96Å; A136-K138 PolarHBondContact O-N 2.89Å | ||
| 137 | K | 57 | Low | 55.4 | Low | 199 Ų | 199 | 142.8 Ų | 142.8 | 87% | 0.865 | 76% | 0.757 | S | S | * | * | trans | -38.9 | 114 | 165 | -111.1 | 169.4 | 176 | 168.7 | 0 | 107.6 | V135 P139 | V135-K137 PolarHBondContact O-N 3.28Å; K137-P139 VanDerWaalsContact O-N 3.11Å | ||
| 138 | K | 56.9 | Low | 57.9 | Low | 197 Ų | 197 | 137.9 Ų | 137.9 | 86% | 0.857 | 74% | 0.741 | S | S | * | * | trans | -49.3 | 122.9 | 173.4 | -68.8 | -178.7 | 179.2 | 177.6 | 0 | 106.9 | A136 S140 | A136-K138 PolarHBondContact O-N 2.89Å; K138-S140 PolarHBondContact O-N 3.41Å | ||
| 139 | P | 54.1 | Low | 60.2 | Low | 119 Ų | 119 | 137.2 Ų | 137.2 | 77% | 0.773 | 74% | 0.736 | S | S | * | * | trans | -59.8 | 118.5 | 173.8 | 24.2 | -30.3 | 0 | 0 | 0 | 106.1 | K137 V141 | K137-P139 VanDerWaalsContact O-N 3.11Å; P139-V141 PolarHBondContact O-N 3.45Å | ||
| 140 | S | 53.1 | Low | 62.7 | Low | 96 Ų | 96 | 135.7 Ų | 135.7 | 67% | 0.671 | 73% | 0.726 | S | S | * | * | trans | -41.3 | 129.3 | 167.6 | 171.3 | 0 | 0 | 0 | 0 | 108 | K138 V142 | K138-S140 PolarHBondContact O-N 3.41Å; S140-V142 PolarHBondContact O-N 3.21Å | ||
| 141 | V | 59 | Low | 64.7 | Low | 144 Ų | 144 | 134.3 Ų | 134.3 | 87% | 0.873 | 71% | 0.709 | S | S | * | * | trans | -69.2 | 65.9 | 179.6 | -176.1 | 0 | 0 | 0 | 0 | 108.5 | P139 | P139-V141 PolarHBondContact O-N 3.45Š| ||
| 142 | V | 62.2 | Low | 67.2 | Low | 98 Ų | 98 | 129.4 Ų | 129.4 | 59% | 0.594 | 70% | 0.696 | S | S | * | * | trans | -78.1 | 123.2 | 164.2 | -177.8 | 0 | 0 | 0 | 0 | 104.5 | S140 T144 | S140-V142 PolarHBondContact O-N 3.21Å; V142-T144 PolarHBondContact O-N 2.97Å | ||
| 143 | K | 57.7 | Low | 69.3 | Low | 202 Ų | 202 | 122.8 Ų | 122.8 | 88% | 0.878 | 68% | 0.679 | S | S | * | * | trans | -61.5 | 88.9 | 166.7 | -68.5 | 177 | -179.8 | 176.3 | 0 | 106.9 | I145 | K143-I145 PolarHBondContact O-N 2.61Š| ||
| 144 | T | 73.1 | Confident | 71.7 | Confident | 116 Ų | 116 | 122.4 Ų | 122.4 | 71% | 0.712 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -66.7 | 131.3 | 175.3 | 45 | 0 | 0 | 0 | 0 | 107.3 | V142 | V142-T144 PolarHBondContact O-N 2.97Š|
| 145 | I | 81.8 | Confident | 73.8 | Confident | 143 Ų | 143 | 120 Ų | 120 | 73% | 0.733 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -53.7 | 130.4 | 168.5 | -63.2 | 168.5 | 0 | 0 | 0 | 106 | K143 D147 | K143-I145 PolarHBondContact O-N 2.61Å; I145-D147 PolarHBondContact O-N 3.18Å |
| 146 | P | 84.6 | Confident | 75.8 | Confident | 74 Ų | 74 | 116 Ų | 116 | 48% | 0.481 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -51.9 | 128.8 | 177.1 | -25.5 | 33.4 | 0 | 0 | 0 | 109.9 | F148 I151 | P146-F148 VanDerWaalsContact C-N 3.3Å; P146-F148 VanDerWaalsContact O-CD2 3.27Å; P146-F148 WeakPolarHBondContact O-CD2 3.5Å; P146-F148 PolarHBondContact O-N 3.07Å; P146-I151 HydrophobicContact CB-CD1 3.79Å |
| 147 | D | 86.2 | Confident | 77.4 | Confident | 73 Ų | 73 | 117.2 Ų | 117.2 | 39% | 0.39 | 64% | 0.642 | S | S | . | * | trans | -72.7 | 90.8 | 174.9 | -175 | -16.8 | 0 | 0 | 0 | 108.2 | I145 S149 K150 I151 | I145-D147 PolarHBondContact O-N 3.18Å; D147-S149 PolarHBondContact O-N 3.4Å; D147-S149 WeakPolarHBondContact OD1-CB 3.38Å; D147-S149 PolarHBondContact OD1-N 3.04Å; D147-S149 VanDerWaalsContact OD1-N 3.16Å; D147-K150 HydrophobicContact CB-CB 4.15Å; D147-K150 HydrophobicContact CB-CD 4.21Å; D147-K150 HydrophobicContact CB-CG 4.32Å; D147-K150 PolarHBondContact O-N 3.03Å; D147-K150 VanDerWaalsContact O-N 3.15Å; D147-K150 PolarHBondContact OD1-N 3.29Å; D147-K150 VanDerWaalsContact OD1-N 3.15Å; D147-K150 WeakPolarHBondContact OD2-CD 3.1Å; D147-K150 WeakPolarHBondContact OD2-CE 3.44Å; D147-K150 VanDerWaalsContact OD2-CG 3.3Å; D147-K150 WeakPolarHBondContact OD2-CG 3.34Å; D147-K150 IonicContact OD2-NZ 3.87Å; D147-I151 WeakPolarHBondContact O-CG1 3.43Å; D147-I151 PolarHBondContact O-N 3.24Å | ||
| 148 | F | 90.5 | Very high | 78.9 | Confident | 123 Ų | 123 | 115.3 Ų | 115.3 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | H | α-helix | trans | -59.8 | -29.7 | -179.4 | -70.8 | -77.5 | 0 | 0 | 0 | 111.6 | P146 I151 H152 | P146-F148 VanDerWaalsContact C-N 3.3Å; P146-F148 VanDerWaalsContact O-CD2 3.27Å; P146-F148 WeakPolarHBondContact O-CD2 3.5Å; P146-F148 PolarHBondContact O-N 3.07Å; F148-I151 PolarHBondContact O-N 3.15Å; F148-H152 VanDerWaalsContact O-CB 3.3Å; F148-H152 WeakPolarHBondContact O-CB 3.45Å; F148-H152 PolarHBondContact O-CD2 2.7Å; F148-H152 VanDerWaalsContact O-CG 3.3Å; F148-H152 PolarHBondContact O-N 2.98Å |
| 149 | S | 90.1 | Very high | 80.4 | Confident | 93 Ų | 93 | 112.4 Ų | 112.4 | 65% | 0.65 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -63.3 | -46.8 | 175.1 | -59.1 | 0 | 0 | 0 | 0 | 111 | D147 I151 H152 A153 | D147-S149 PolarHBondContact O-N 3.4Å; D147-S149 WeakPolarHBondContact OD1-CB 3.38Å; D147-S149 PolarHBondContact OD1-N 3.04Å; D147-S149 VanDerWaalsContact OD1-N 3.16Å; S149-I151 PolarHBondContact O-N 3.16Å; S149-H152 PolarHBondContact O-N 2.97Å; S149-A153 WeakPolarHBondContact O-CB 3.35Å; S149-A153 PolarHBondContact O-N 3.19Å |
| 150 | K | 91.2 | Very high | 81.9 | Confident | 152 Ų | 152 | 110.2 Ų | 110.2 | 66% | 0.661 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -63.8 | -38.8 | 173.8 | -75.8 | 179.8 | -172.4 | 175.2 | 0 | 112.8 | D147 K154 | D147-K150 HydrophobicContact CB-CB 4.15Å; D147-K150 HydrophobicContact CB-CD 4.21Å; D147-K150 HydrophobicContact CB-CG 4.32Å; D147-K150 PolarHBondContact O-N 3.03Å; D147-K150 VanDerWaalsContact O-N 3.15Å; D147-K150 PolarHBondContact OD1-N 3.29Å; D147-K150 VanDerWaalsContact OD1-N 3.15Å; D147-K150 WeakPolarHBondContact OD2-CD 3.1Å; D147-K150 WeakPolarHBondContact OD2-CE 3.44Å; D147-K150 VanDerWaalsContact OD2-CG 3.3Å; D147-K150 WeakPolarHBondContact OD2-CG 3.34Å; D147-K150 IonicContact OD2-NZ 3.87Å; K150-K154 VanDerWaalsContact O-CB 3.24Å; K150-K154 WeakPolarHBondContact O-CB 3.41Å; K150-K154 PolarHBondContact O-N 3.09Å |
| 151 | I | 89.7 | Confident | 83.5 | Confident | 86 Ų | 86 | 109.2 Ų | 109.2 | 44% | 0.441 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -65.5 | -43.5 | 178.1 | -66.1 | 167.6 | 0 | 0 | 0 | 110.6 | P146 D147 F148 S149 K154 A155 | P146-I151 HydrophobicContact CB-CD1 3.79Å; D147-I151 WeakPolarHBondContact O-CG1 3.43Å; D147-I151 PolarHBondContact O-N 3.24Å; F148-I151 PolarHBondContact O-N 3.15Å; S149-I151 PolarHBondContact O-N 3.16Å; I151-K154 PolarHBondContact O-N 3.08Å; I151-A155 WeakPolarHBondContact O-CB 3.27Å; I151-A155 PolarHBondContact O-N 2.99Å |
| 152 | H | 90.7 | Very high | 84.7 | Confident | 126 Ų | 126 | 109.5 Ų | 109.5 | 58% | 0.583 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69.1 | -43.5 | 179.7 | -76.6 | -139.8 | 0 | 0 | 0 | 111.4 | F148 S149 K154 A155 A156 | F148-H152 VanDerWaalsContact O-CB 3.3Å; F148-H152 WeakPolarHBondContact O-CB 3.45Å; F148-H152 PolarHBondContact O-CD2 2.7Å; F148-H152 VanDerWaalsContact O-CG 3.3Å; F148-H152 PolarHBondContact O-N 2.98Å; S149-H152 PolarHBondContact O-N 2.97Å; H152-K154 VanDerWaalsContact C-N 3.33Å; H152-K154 PolarHBondContact O-N 3.31Å; H152-A155 PolarHBondContact O-N 3.48Å; H152-A156 WeakPolarHBondContact O-CB 3.41Å; H152-A156 PolarHBondContact O-N 3.08Å |
| 153 | A | 91.2 | Very high | 85.7 | Confident | 62 Ų | 62 | 109.9 Ų | 109.9 | 51% | 0.512 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -60.3 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | S149 A155 A156 S157 | S149-A153 WeakPolarHBondContact O-CB 3.35Å; S149-A153 PolarHBondContact O-N 3.19Å; A153-A155 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 3.25Å; A153-A156 PolarHBondContact O-N 3.01Å; A153-S157 VanDerWaalsContact O-CB 3.27Å; A153-S157 WeakPolarHBondContact O-CB 3.41Å; A153-S157 PolarHBondContact O-N 3.04Å |
| 154 | K | 92.8 | Very high | 86.9 | Confident | 139 Ų | 139 | 102.9 Ų | 102.9 | 60% | 0.604 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -67.3 | -33.7 | 175.4 | -172.2 | 172.1 | -175.2 | 171.8 | 0 | 112.8 | K150 I151 H152 K158 | K150-K154 VanDerWaalsContact O-CB 3.24Å; K150-K154 WeakPolarHBondContact O-CB 3.41Å; K150-K154 PolarHBondContact O-N 3.09Å; I151-K154 PolarHBondContact O-N 3.08Å; H152-K154 VanDerWaalsContact C-N 3.33Å; H152-K154 PolarHBondContact O-N 3.31Å; K154-K158 WeakPolarHBondContact O-CG 3.34Å; K154-K158 PolarHBondContact O-N 2.85Å |
| 155 | A | 90.8 | Very high | 87.4 | Confident | 53 Ų | 53 | 103.6 Ų | 103.6 | 44% | 0.438 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -70.2 | -45.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | I151 H152 A153 S157 K158 L159 | I151-A155 WeakPolarHBondContact O-CB 3.27Å; I151-A155 PolarHBondContact O-N 2.99Å; H152-A155 PolarHBondContact O-N 3.48Å; A153-A155 VanDerWaalsContact C-N 3.35Å; A153-A155 PolarHBondContact O-N 3.25Å; A155-S157 PolarHBondContact O-N 3.46Å; A155-K158 WeakPolarHBondContact O-CB 3.42Å; A155-K158 PolarHBondContact O-N 2.89Å; A155-K158 VanDerWaalsContact O-N 3.12Å; A155-L159 PolarHBondContact O-N 3.34Å |
| 156 | A | 87.5 | Confident | 87.5 | Confident | 59 Ų | 59 | 98.7 Ų | 98.7 | 49% | 0.488 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | H152 A153 K158 L159 | H152-A156 WeakPolarHBondContact O-CB 3.41Å; H152-A156 PolarHBondContact O-N 3.08Å; A153-A156 PolarHBondContact O-N 3.01Å; A156-K158 PolarHBondContact O-N 3.32Å; A156-L159 WeakPolarHBondContact O-CB 3.15Å; A156-L159 PolarHBondContact O-N 3.22Å |
| 157 | S | 85.2 | Confident | 87.4 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 75% | 0.748 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -63.9 | -20.6 | 175.1 | 173.6 | 0 | 0 | 0 | 0 | 113.7 | A153 A155 | A153-S157 VanDerWaalsContact O-CB 3.27Å; A153-S157 WeakPolarHBondContact O-CB 3.41Å; A153-S157 PolarHBondContact O-N 3.04Å; A155-S157 PolarHBondContact O-N 3.46Å |
| 158 | K | 88.6 | Confident | 87 | Confident | 160 Ų | 160 | 101.7 Ų | 101.7 | 70% | 0.696 | 55% | 0.553 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | -14 | 172.9 | -72.6 | 176.6 | 176.9 | -168.2 | 0 | 113.3 | K154 A155 A156 | K154-K158 WeakPolarHBondContact O-CG 3.34Å; K154-K158 PolarHBondContact O-N 2.85Å; A155-K158 WeakPolarHBondContact O-CB 3.42Å; A155-K158 PolarHBondContact O-N 2.89Å; A155-K158 VanDerWaalsContact O-N 3.12Å; A156-K158 PolarHBondContact O-N 3.32Å |
| 159 | L | 88.5 | Confident | 86 | Confident | 136 Ų | 136 | 102 Ų | 102 | 71% | 0.712 | 56% | 0.556 | S | S | * | * | S | Bend | trans | -77.1 | 125.5 | 173.3 | -62.2 | 178.4 | 0 | 0 | 0 | 107.6 | A155 A156 | A155-L159 PolarHBondContact O-N 3.34Å; A156-L159 WeakPolarHBondContact O-CB 3.15Å; A156-L159 PolarHBondContact O-N 3.22Å |
| 160 | E | 86.7 | Confident | 84.9 | Confident | 73 Ų | 73 | 103.3 Ų | 103.3 | 34% | 0.341 | 56% | 0.556 | S | S | . | * | P | Polyproline II helix | trans | -66 | 141.7 | 172.1 | 177 | 172.8 | 168.6 | 0 | 0 | 110.5 | S164 Y165 R168 | E160-S164 VanDerWaalsContact CG-CB 3.47Å; E160-S164 WeakPolarHBondContact CG-OG 3.49Å; E160-S164 VanDerWaalsContact OE1-CB 3.24Å; E160-S164 WeakPolarHBondContact OE1-CB 3.47Å; E160-S164 PolarHBondContact OE1-OG 3.07Å; E160-Y165 PolarHBondContact OE1-N 2.95Å; E160-R168 VanDerWaalsContact CD-NH2 3.26Å; E160-R168 IonicContact OE1-CZ 3.38Å; E160-R168 IonicContact OE1-NE 3.44Å; E160-R168 PolarHBondContact OE1-NE 3.39Å; E160-R168 IonicContact OE1-NH1 3.03Å; E160-R168 PolarHBondContact OE1-NH1 3.28Å; E160-R168 IonicContact OE1-NH2 3.37Å; E160-R168 PolarHBondContact OE1-NH2 2.98Å; E160-R168 IonicContact OE2-CZ 3.43Å; E160-R168 IonicContact OE2-NE 3.82Å; E160-R168 IonicContact OE2-NH1 2.83Å; E160-R168 PolarHBondContact OE2-NH1 3.03Å; E160-R168 IonicContact OE2-NH2 2.62Å; E160-R168 PolarHBondContact OE2-NH2 3.22Å |
| 161 | S | 86.1 | Confident | 83.4 | Confident | 75 Ų | 75 | 100.1 Ų | 100.1 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 140.7 | 173.6 | 170.9 | 0 | 0 | 0 | 0 | 110.7 | V163 S164 Y165 | S161-V163 PolarHBondContact O-N 3.31Å; S161-V163 VanDerWaalsContact O-N 3.12Å; S161-V163 PolarHBondContact OG-N 2.97Å; S161-S164 PolarHBondContact O-N 3.45Å; S161-Y165 PolarHBondContact O-N 2.58Å |
| 162 | L | 82.7 | Confident | 81.9 | Confident | 150 Ų | 150 | 102.4 Ų | 102.4 | 79% | 0.785 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -52 | -35.8 | 176.1 | -77.7 | 171 | 0 | 0 | 0 | 112.2 | Y165 A166 | L162-Y165 PolarHBondContact O-N 2.72Å; L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.43Å |
| 163 | V | 84.9 | Confident | 80.5 | Confident | 106 Ų | 106 | 101.1 Ų | 101.1 | 64% | 0.642 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -62.3 | -45.8 | 176.8 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | S161 A166 S167 | S161-V163 PolarHBondContact O-N 3.31Å; S161-V163 VanDerWaalsContact O-N 3.12Å; S161-V163 PolarHBondContact OG-N 2.97Å; V163-A166 PolarHBondContact O-N 2.99Å; V163-S167 PolarHBondContact O-N 3.08Å; V163-S167 PolarHBondContact O-OG 3.39Å; V163-S167 VanDerWaalsContact O-OG 3.08Å |
| 164 | S | 83.2 | Confident | 79.3 | Confident | 54 Ų | 54 | 105.3 Ų | 105.3 | 38% | 0.378 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -68.7 | -38.2 | 179.4 | -176 | 0 | 0 | 0 | 0 | 111.5 | E160 S161 S167 R168 | E160-S164 VanDerWaalsContact CG-CB 3.47Å; E160-S164 WeakPolarHBondContact CG-OG 3.49Å; E160-S164 VanDerWaalsContact OE1-CB 3.24Å; E160-S164 WeakPolarHBondContact OE1-CB 3.47Å; E160-S164 PolarHBondContact OE1-OG 3.07Å; S161-S164 PolarHBondContact O-N 3.45Å; S164-S167 PolarHBondContact O-N 2.92Å; S164-R168 PolarHBondContact O-N 3.36Å; S164-R168 VanDerWaalsContact O-N 3.13Å |
| 165 | Y | 83.6 | Confident | 78.1 | Confident | 131 Ų | 131 | 104.6 Ų | 104.6 | 51% | 0.514 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -60.8 | -46.9 | 172.8 | 179.5 | -93.1 | 0 | 0 | 0 | 111.9 | E160 S161 L162 R168 H169 | E160-Y165 PolarHBondContact OE1-N 2.95Å; S161-Y165 PolarHBondContact O-N 2.58Å; L162-Y165 PolarHBondContact O-N 2.72Å; Y165-R168 PolarHBondContact O-N 2.9Å; Y165-H169 PolarHBondContact O-N 3.12Å; Y165-H169 VanDerWaalsContact O-N 3.13Å |
| 166 | A | 83.7 | Confident | 77 | Confident | 41 Ų | 41 | 109.1 Ų | 109.1 | 34% | 0.339 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -61.9 | -44.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | L162 V163 R168 H169 N170 | L162-A166 WeakPolarHBondContact O-CB 3.44Å; L162-A166 PolarHBondContact O-N 3.43Å; V163-A166 PolarHBondContact O-N 2.99Å; A166-R168 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 2.94Å; A166-H169 PolarHBondContact O-N 3.38Å; A166-N170 WeakPolarHBondContact O-CB 3.26Å; A166-N170 VanDerWaalsContact O-CG 3.24Å; A166-N170 PolarHBondContact O-N 3.5Å; A166-N170 PolarHBondContact O-ND2 2.98Å |
| 167 | S | 82 | Confident | 76.5 | Confident | 71 Ų | 71 | 110.5 Ų | 110.5 | 50% | 0.497 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -57.6 | -39.2 | 176.7 | -66.8 | 0 | 0 | 0 | 0 | 112.8 | V163 S164 | V163-S167 PolarHBondContact O-N 3.08Å; V163-S167 PolarHBondContact O-OG 3.39Å; V163-S167 VanDerWaalsContact O-OG 3.08Å; S164-S167 PolarHBondContact O-N 2.92Å |
| 168 | R | 76.6 | Confident | 76.1 | Confident | 139 Ų | 139 | 111.1 Ų | 111.1 | 53% | 0.525 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -71.1 | -33.8 | 175.3 | -67.4 | -166.6 | -47.9 | -145.8 | -10.1 | 113.4 | E160 S164 Y165 A166 L171 | E160-R168 VanDerWaalsContact CD-NH2 3.26Å; E160-R168 IonicContact OE1-CZ 3.38Å; E160-R168 IonicContact OE1-NE 3.44Å; E160-R168 PolarHBondContact OE1-NE 3.39Å; E160-R168 IonicContact OE1-NH1 3.03Å; E160-R168 PolarHBondContact OE1-NH1 3.28Å; E160-R168 IonicContact OE1-NH2 3.37Å; E160-R168 PolarHBondContact OE1-NH2 2.98Å; E160-R168 IonicContact OE2-CZ 3.43Å; E160-R168 IonicContact OE2-NE 3.82Å; E160-R168 IonicContact OE2-NH1 2.83Å; E160-R168 PolarHBondContact OE2-NH1 3.03Å; E160-R168 IonicContact OE2-NH2 2.62Å; E160-R168 PolarHBondContact OE2-NH2 3.22Å; S164-R168 PolarHBondContact O-N 3.36Å; S164-R168 VanDerWaalsContact O-N 3.13Å; Y165-R168 PolarHBondContact O-N 2.9Å; A166-R168 VanDerWaalsContact C-N 3.29Å; A166-R168 PolarHBondContact O-N 2.94Å; R168-L171 PolarHBondContact O-N 3.21Å |
| 169 | H | 70.7 | Confident | 75.7 | Confident | 128 Ų | 128 | 113 Ų | 113 | 59% | 0.593 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -80.8 | -23 | -179.3 | -155.5 | -69.4 | 0 | 0 | 0 | 112.5 | Y165 A166 L171 | Y165-H169 PolarHBondContact O-N 3.12Å; Y165-H169 VanDerWaalsContact O-N 3.13Å; A166-H169 PolarHBondContact O-N 3.38Å; H169-L171 PolarHBondContact O-N 2.99Å |
| 170 | N | 66.8 | Low | 75.2 | Confident | 121 Ų | 121 | 108.5 Ų | 108.5 | 65% | 0.647 | 59% | 0.587 | S | S | * | * | S | Bend | trans | -75.1 | -9 | 171.6 | -69.9 | -17.1 | 0 | 0 | 0 | 113 | A166 T172 | A166-N170 WeakPolarHBondContact O-CB 3.26Å; A166-N170 VanDerWaalsContact O-CG 3.24Å; A166-N170 PolarHBondContact O-N 3.5Å; A166-N170 PolarHBondContact O-ND2 2.98Å; N170-T172 PolarHBondContact O-N 2.86Å |
| 171 | L | 59.4 | Low | 74.8 | Confident | 85 Ų | 85 | 109.1 Ų | 109.1 | 45% | 0.445 | 60% | 0.6 | S | S | . | * | trans | -75.4 | 65.2 | 165.6 | -66.3 | 167.4 | 0 | 0 | 0 | 109.9 | R168 H169 S173 | R168-L171 PolarHBondContact O-N 3.21Å; H169-L171 PolarHBondContact O-N 2.99Å; L171-S173 PolarHBondContact O-N 3.42Å | ||
| 172 | T | 58.6 | Low | 74.4 | Confident | 134 Ų | 134 | 110.8 Ų | 110.8 | 82% | 0.822 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | 0.1 | 172.5 | 51.7 | 0 | 0 | 0 | 0 | 113 | N170 | N170-T172 PolarHBondContact O-N 2.86Š|
| 173 | S | 61.2 | Low | 73.9 | Confident | 99 Ų | 99 | 107.8 Ų | 107.8 | 69% | 0.692 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | -5.9 | -178.6 | 59.4 | 0 | 0 | 0 | 0 | 115.5 | L171 | L171-S173 PolarHBondContact O-N 3.42Š|
| 174 | K | 66.5 | Low | 73.2 | Confident | 150 Ų | 150 | 112.4 Ų | 112.4 | 65% | 0.652 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -84.1 | 130.1 | 177.5 | -69.6 | -169.1 | 177.2 | -177.5 | 0 | 111.1 | R176 | K174-R176 PolarHBondContact O-N 2.8Š|
| 175 | P | 66.7 | Low | 72.6 | Confident | 124 Ų | 124 | 115.2 Ų | 115.2 | 81% | 0.805 | 63% | 0.625 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 125.4 | 178.2 | 22 | -30.8 | 0 | 0 | 0 | 109.9 | ||
| 176 | R | 68.2 | Low | 71.6 | Confident | 148 Ų | 148 | 114.6 Ų | 114.6 | 56% | 0.558 | 63% | 0.63 | S | S | * | * | P | Polyproline II helix | trans | -60.7 | 138.3 | 176.1 | -104.4 | -177.6 | 174.5 | -170.5 | -1.4 | 109.2 | K174 A180 S181 P183 | K174-R176 PolarHBondContact O-N 2.8Å; R176-A180 HydrophobicContact CB-CB 4.35Å; R176-A180 HydrophobicContact CG-CB 4.2Å; R176-S181 PolarHBondContact NH1-O 3.49Å; R176-P183 VanDerWaalsContact NH1-CA 3.3Å; R176-P183 VanDerWaalsContact NH1-N 3.12Å |
| 177 | P | 76.9 | Confident | 70.7 | Confident | 88 Ų | 88 | 119.2 Ų | 119.2 | 57% | 0.571 | 65% | 0.649 | S | S | * | * | P | Polyproline II helix | trans | -58.2 | 144 | 172.1 | 21.6 | -29.1 | 0 | 0 | 0 | 109.8 | F179 A180 | P177-F179 PolarHBondContact O-N 3.17Å; P177-A180 HydrophobicContact CG-CB 4.27Å; P177-A180 WeakPolarHBondContact O-CB 3.38Å; P177-A180 PolarHBondContact O-N 2.87Å |
| 178 | P | 75.9 | Confident | 69.7 | Low | 121 Ų | 121 | 122.1 Ų | 122.1 | 79% | 0.786 | 66% | 0.659 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.5 | -15.8 | -169.1 | 23.2 | -34.2 | 0 | 0 | 0 | 114.3 | ||
| 179 | F | 80.7 | Confident | 68.4 | Low | 200 Ų | 200 | 125.2 Ų | 125.2 | 88% | 0.877 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.7 | 2 | 178 | -56.6 | -73.3 | 0 | 0 | 0 | 113.9 | P177 | P177-F179 PolarHBondContact O-N 3.17Š|
| 180 | A | 77.4 | Confident | 67.3 | Low | 41 Ų | 41 | 128.2 Ų | 128.2 | 34% | 0.339 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -70 | 135.7 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | R176 P177 | R176-A180 HydrophobicContact CB-CB 4.35Å; R176-A180 HydrophobicContact CG-CB 4.2Å; P177-A180 HydrophobicContact CG-CB 4.27Å; P177-A180 WeakPolarHBondContact O-CB 3.38Å; P177-A180 PolarHBondContact O-N 2.87Å |
| 181 | S | 79.1 | Confident | 66.2 | Low | 86 Ų | 86 | 128.5 Ų | 128.5 | 60% | 0.601 | 69% | 0.693 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 146.6 | 173.6 | 30.5 | 0 | 0 | 0 | 0 | 110.9 | R176 | R176-S181 PolarHBondContact NH1-O 3.49Š|
| 182 | P | 77.2 | Confident | 65.5 | Low | 110 Ų | 110 | 129.4 Ų | 129.4 | 71% | 0.714 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -51.1 | 144.8 | 179.4 | -26.8 | 34.2 | 0 | 0 | 0 | 111.7 | F184 | P182-F184 PolarHBondContact O-N 3.44Š|
| 183 | P | 73 | Confident | 64.8 | Low | 87 Ų | 87 | 131 Ų | 131 | 57% | 0.565 | 71% | 0.711 | S | S | * | * | P | Polyproline II helix | trans | -57.5 | 135.4 | 174.1 | 23.7 | -30.6 | 0 | 0 | 0 | 109.2 | R176 V185 | R176-P183 VanDerWaalsContact NH1-CA 3.3Å; R176-P183 VanDerWaalsContact NH1-N 3.12Å; P183-V185 PolarHBondContact O-N 3.44Å |
| 184 | F | 69.7 | Low | 64.1 | Low | 202 Ų | 202 | 131.5 Ų | 131.5 | 89% | 0.886 | 71% | 0.714 | S | S | * | * | trans | -66.8 | 100.3 | 169.9 | -76.3 | -82.4 | 0 | 0 | 0 | 107.1 | P182 N186 | P182-F184 PolarHBondContact O-N 3.44Å; F184-N186 PolarHBondContact O-N 2.98Å; F184-N186 VanDerWaalsContact O-N 3.11Å | ||
| 185 | V | 70.7 | Confident | 63.1 | Low | 114 Ų | 114 | 128.9 Ų | 128.9 | 69% | 0.691 | 71% | 0.714 | S | S | * | * | trans | -67 | 108.6 | 168.9 | -172.8 | 0 | 0 | 0 | 0 | 106 | P183 N187 | P183-V185 PolarHBondContact O-N 3.44Å; V185-N187 WeakPolarHBondContact CG1-OD1 3.48Å; V185-N187 PolarHBondContact O-N 2.9Å; V185-N187 PolarHBondContact O-OD1 2.8Å | ||
| 186 | N | 62.9 | Low | 62 | Low | 118 Ų | 118 | 129.5 Ų | 129.5 | 63% | 0.631 | 71% | 0.711 | S | S | * | * | trans | -80.7 | 112.9 | 169.1 | -168.7 | 8.3 | 0 | 0 | 0 | 106.9 | F184 N188 | F184-N186 PolarHBondContact O-N 2.98Å; F184-N186 VanDerWaalsContact O-N 3.11Å; N186-N188 PolarHBondContact O-N 3.47Å; N186-N188 VanDerWaalsContact OD1-CG 3.29Å; N186-N188 PolarHBondContact OD1-ND2 3.28Å; N186-N188 PolarHBondContact OD1-OD1 3.01Å | ||
| 187 | N | 64.8 | Low | 61 | Low | 137 Ų | 137 | 131.2 Ų | 131.2 | 73% | 0.733 | 73% | 0.725 | S | S | * | * | trans | -75.4 | 19.1 | -173.4 | -60.9 | -11.9 | 0 | 0 | 0 | 113.2 | V185 K189 | V185-N187 WeakPolarHBondContact CG1-OD1 3.48Å; V185-N187 PolarHBondContact O-N 2.9Å; V185-N187 PolarHBondContact O-OD1 2.8Å; N187-K189 VanDerWaalsContact C-N 3.34Å; N187-K189 PolarHBondContact O-N 3.38Å | ||
| 188 | N | 61.6 | Low | 59.5 | Low | 132 Ų | 132 | 137.3 Ų | 137.3 | 71% | 0.706 | 74% | 0.742 | S | S | * | * | trans | -91.4 | 11.2 | -173.2 | -64.4 | 0.3 | 0 | 0 | 0 | 113.6 | N186 K190 | N186-N188 PolarHBondContact O-N 3.47Å; N186-N188 VanDerWaalsContact OD1-CG 3.29Å; N186-N188 PolarHBondContact OD1-ND2 3.28Å; N186-N188 PolarHBondContact OD1-OD1 3.01Å; N188-K190 PolarHBondContact O-N 3.15Å | ||
| 189 | K | 49 | Very low | 58.2 | Low | 204 Ų | 204 | 136.7 Ų | 136.7 | 89% | 0.887 | 74% | 0.741 | S | S | * | * | trans | -95.8 | 79.3 | 179 | -146.7 | 174.4 | -173.2 | -176.8 | 0 | 110.3 | N187 | N187-K189 VanDerWaalsContact C-N 3.34Å; N187-K189 PolarHBondContact O-N 3.38Å | ||
| 190 | K | 47.6 | Very low | 56.6 | Low | 191 Ų | 191 | 135.8 Ų | 135.8 | 83% | 0.83 | 74% | 0.74 | S | S | * | * | trans | -111.7 | 121.5 | 156.3 | -104.4 | -162.9 | 178.4 | -170.4 | 0 | 107.3 | N188 | N188-K190 PolarHBondContact O-N 3.15Š| ||
| 191 | V | 44.2 | Very low | 55.2 | Low | 127 Ų | 127 | 141.6 Ų | 141.6 | 77% | 0.77 | 76% | 0.763 | S | S | * | * | trans | 62.8 | 102.2 | 151.5 | -166.1 | 0 | 0 | 0 | 0 | 113 | ||||
| 192 | S | 43.4 | Very low | 53.5 | Low | 104 Ų | 104 | 141.7 Ų | 141.7 | 73% | 0.727 | 76% | 0.764 | S | S | * | * | -175.1 | 136.4 | 79.1 | 19.3 | 0 | 0 | 0 | 0 | 109.1 | S194 | S192-S194 PolarHBondContact O-N 3.26Š| |||
| 193 | D | 44 | Very low | 52.5 | Low | 168 Ų | 168 | 145.2 Ų | 145.2 | 90% | 0.898 | 77% | 0.771 | S | S | * | * | trans | -69.3 | 117 | 158.5 | -59.2 | -51.3 | 0 | 0 | 0 | 107.4 | ||||
| 194 | S | 46 | Very low | 51.4 | Low | 110 Ų | 110 | 145.1 Ų | 145.1 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | 178 | 145.8 | 144.2 | 39.7 | 0 | 0 | 0 | 0 | 110.1 | S192 | S192-S194 PolarHBondContact O-N 3.26Š| ||
| 195 | S | 47 | Very low | 50.3 | Low | 94 Ų | 94 | 142.7 Ų | 142.7 | 66% | 0.657 | 77% | 0.774 | S | S | * | * | trans | -41.1 | 148.5 | -178.7 | 49 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 196 | D | 42.5 | Very low | 49.5 | Very low | 137 Ų | 137 | 144 Ų | 144 | 73% | 0.733 | 78% | 0.775 | S | S | * | * | trans | 55.3 | 86.5 | 144.6 | -56.2 | -28.2 | 0 | 0 | 0 | 117.2 | ||||
| 197 | H | 46.9 | Very low | 49 | Very low | 185 Ų | 185 | 143.6 Ų | 143.6 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | trans | -158.5 | 127.6 | 140.3 | -89.6 | -56 | 0 | 0 | 0 | 111.2 | S199 | H197-S199 PolarHBondContact O-N 3.21Å; H197-S199 VanDerWaalsContact O-N 3.12Å; H197-S199 PolarHBondContact O-OG 2.9Å | ||
| 198 | K | 46.2 | Very low | 48.3 | Very low | 215 Ų | 215 | 144.6 Ų | 144.6 | 94% | 0.935 | 78% | 0.779 | S | S | * | * | trans | -46.8 | 114.9 | 165.9 | -68.6 | -179.4 | 174.9 | 179.1 | 0 | 109.2 | ||||
| 199 | S | 48.5 | Very low | 47.5 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 76% | 0.755 | 78% | 0.783 | S | S | * | * | trans | -108.1 | 109.1 | 173.6 | -34.7 | 0 | 0 | 0 | 0 | 109.1 | H197 I201 | H197-S199 PolarHBondContact O-N 3.21Å; H197-S199 VanDerWaalsContact O-N 3.12Å; H197-S199 PolarHBondContact O-OG 2.9Å; S199-I201 PolarHBondContact O-N 3.44Å | ||
| 200 | E | 48.1 | Very low | 47.4 | Very low | 182 Ų | 182 | 146.6 Ų | 146.6 | 85% | 0.85 | 78% | 0.776 | S | S | * | * | trans | -48.3 | 133.2 | 161 | -84.2 | 174.3 | 125.9 | 0 | 0 | 110.3 | S202 | E200-S202 VanDerWaalsContact C-N 3.32Å; E200-S202 PolarHBondContact O-N 2.76Å | ||
| 201 | I | 46.4 | Very low | 47.4 | Very low | 162 Ų | 162 | 145 Ų | 145 | 83% | 0.831 | 77% | 0.77 | S | S | * | * | trans | -72.3 | 93.7 | 170.7 | -69.5 | 163.8 | 0 | 0 | 0 | 107 | S199 Q203 | S199-I201 PolarHBondContact O-N 3.44Å; I201-Q203 PolarHBondContact O-N 2.67Å | ||
| 202 | S | 44.6 | Very low | 47.3 | Very low | 89 Ų | 89 | 143.6 Ų | 143.6 | 62% | 0.622 | 77% | 0.765 | S | S | * | * | trans | -66 | 115.1 | 169.6 | -30.9 | 0 | 0 | 0 | 0 | 108.5 | E200 A204 | E200-S202 VanDerWaalsContact C-N 3.32Å; E200-S202 PolarHBondContact O-N 2.76Å; S202-A204 PolarHBondContact O-N 2.72Å | ||
| 203 | Q | 56.2 | Low | 47.5 | Very low | 183 Ų | 183 | 146 Ų | 146 | 86% | 0.855 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.6 | 10.7 | 174.3 | -74.9 | -172.9 | -4 | 0 | 0 | 114.2 | I201 | I201-Q203 PolarHBondContact O-N 2.67Š|
| 204 | A | 49.3 | Very low | 47.7 | Very low | 85 Ų | 85 | 145.4 Ų | 145.4 | 70% | 0.702 | 76% | 0.761 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -4.8 | -170.2 | 0 | 0 | 0 | 0 | 0 | 115.3 | S202 | S202-A204 PolarHBondContact O-N 2.72Š|
| 205 | N | 46 | Very low | 47.7 | Very low | 151 Ų | 151 | 149.8 Ų | 149.8 | 81% | 0.807 | 77% | 0.767 | S | S | * | * | trans | -114.2 | 55.6 | -179.1 | -78 | -43.5 | 0 | 0 | 0 | 112.5 | P207 | N205-P207 WeakPolarHBondContact O-CD 3.42Š| ||
| 206 | I | 53.5 | Low | 47.8 | Very low | 142 Ų | 142 | 154.2 Ų | 154.2 | 73% | 0.728 | 77% | 0.774 | S | S | * | * | trans | -79.9 | 117.7 | 159.6 | -61.6 | 173.3 | 0 | 0 | 0 | 105.9 | E208 | I206-E208 PolarHBondContact O-N 2.92Š| ||
| 207 | P | 52.5 | Low | 47.9 | Very low | 110 Ų | 110 | 157 Ų | 157 | 71% | 0.714 | 78% | 0.78 | S | S | * | * | trans | -59.1 | 116.8 | 171.3 | -14.1 | 26.6 | 0 | 0 | 0 | 106.7 | N205 R209 | N205-P207 WeakPolarHBondContact O-CD 3.42Å; P207-R209 PolarHBondContact O-N 3.08Å | ||
| 208 | E | 51.2 | Low | 48 | Very low | 157 Ų | 157 | 153.5 Ų | 153.5 | 73% | 0.734 | 78% | 0.776 | S | S | * | * | trans | -56.8 | 88.1 | 160.8 | -75.5 | -166.4 | 165.5 | 0 | 0 | 106.6 | I206 K210 | I206-E208 PolarHBondContact O-N 2.92Å; E208-K210 HydrophobicContact CB-CG 4.39Å; E208-K210 PolarHBondContact O-N 3.31Å; E208-K210 WeakPolarHBondContact OE2-CE 3.3Å; E208-K210 IonicContact OE2-NZ 3.87Å | ||
| 209 | R | 45 | Very low | 48 | Very low | 206 Ų | 206 | 150.3 Ų | 150.3 | 78% | 0.777 | 77% | 0.767 | S | S | * | * | trans | -70.9 | 85.1 | 166.6 | -158.4 | 171.9 | -166 | 146.5 | 5.2 | 104.1 | P207 F211 | P207-R209 PolarHBondContact O-N 3.08Å; R209-F211 HydrophobicContact CB-CD2 4.47Å; R209-F211 HydrophobicContact CB-CE2 4.49Å; R209-F211 HydrophobicContact CG-CD2 4.13Å; R209-F211 HydrophobicContact CG-CE2 3.92Å; R209-F211 PolarHBondContact O-N 3.32Å | ||
| 210 | K | 46.9 | Very low | 48.1 | Very low | 172 Ų | 172 | 149.7 Ų | 149.7 | 75% | 0.748 | 76% | 0.761 | S | S | * | * | trans | -60.1 | 84 | 166.3 | -66.9 | -168.6 | 179.8 | -178.5 | 0 | 106.2 | E208 S212 | E208-K210 HydrophobicContact CB-CG 4.39Å; E208-K210 PolarHBondContact O-N 3.31Å; E208-K210 WeakPolarHBondContact OE2-CE 3.3Å; E208-K210 IonicContact OE2-NZ 3.87Å; K210-S212 PolarHBondContact O-N 3.45Å | ||
| 211 | F | 46.5 | Very low | 48.1 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 69% | 0.689 | 76% | 0.761 | S | S | * | * | trans | -63.5 | 91 | 154.5 | -82.9 | -80.3 | 0 | 0 | 0 | 104.9 | R209 L213 | R209-F211 HydrophobicContact CB-CD2 4.47Å; R209-F211 HydrophobicContact CB-CE2 4.49Å; R209-F211 HydrophobicContact CG-CD2 4.13Å; R209-F211 HydrophobicContact CG-CE2 3.92Å; R209-F211 PolarHBondContact O-N 3.32Å; F211-L213 PolarHBondContact O-N 2.93Å | ||
| 212 | S | 42.2 | Very low | 48.2 | Very low | 98 Ų | 98 | 147.8 Ų | 147.8 | 69% | 0.685 | 76% | 0.757 | S | S | * | * | trans | -60.2 | 85.7 | 159.8 | -178 | 0 | 0 | 0 | 0 | 106.1 | K210 Q214 | K210-S212 PolarHBondContact O-N 3.45Å; S212-Q214 PolarHBondContact O-N 3.45Å | ||
| 213 | L | 48.8 | Very low | 47.9 | Very low | 154 Ų | 154 | 151 Ų | 151 | 81% | 0.806 | 77% | 0.768 | S | S | * | * | trans | -66.1 | 86.2 | 155 | -70.1 | 173.5 | 0 | 0 | 0 | 103.9 | F211 K215 | F211-L213 PolarHBondContact O-N 2.93Å; L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.37Å | ||
| 214 | Q | 47.7 | Very low | 47.4 | Very low | 157 Ų | 157 | 151.1 Ų | 151.1 | 73% | 0.734 | 77% | 0.765 | S | S | * | * | trans | -46.7 | 110.5 | 158.4 | -79.6 | -173 | -11.7 | 0 | 0 | 105.3 | S212 K216 | S212-Q214 PolarHBondContact O-N 3.45Å; Q214-K216 PolarHBondContact O-N 2.91Å | ||
| 215 | K | 46 | Very low | 46.9 | Very low | 202 Ų | 202 | 154 Ų | 154 | 88% | 0.878 | 77% | 0.774 | S | S | * | * | trans | -55.4 | 88.3 | 166.8 | -84.4 | 178.4 | 174.3 | 174.5 | 0 | 105.5 | L213 K217 | L213-K215 VanDerWaalsContact C-N 3.31Å; L213-K215 PolarHBondContact O-N 3.37Å; K215-K217 VanDerWaalsContact C-N 3.27Å; K215-K217 PolarHBondContact O-N 3.1Å | ||
| 216 | K | 47.8 | Very low | 46.9 | Very low | 187 Ų | 187 | 152.8 Ų | 152.8 | 81% | 0.813 | 77% | 0.773 | S | S | * | * | trans | -62.3 | 104.2 | 158.7 | -76.9 | -158 | 174.3 | -171 | 0 | 104.1 | Q214 S218 | Q214-K216 PolarHBondContact O-N 2.91Å; K216-S218 PolarHBondContact O-N 2.99Å | ||
| 217 | K | 46.2 | Very low | 46.2 | Very low | 196 Ų | 196 | 153.6 Ų | 153.6 | 85% | 0.852 | 78% | 0.777 | S | S | * | * | trans | -43.7 | 115.2 | 167.4 | -76 | 179.5 | 175.3 | 179.4 | 0 | 106.1 | K215 I219 | K215-K217 VanDerWaalsContact C-N 3.27Å; K215-K217 PolarHBondContact O-N 3.1Å; K217-I219 PolarHBondContact O-N 3.12Å | ||
| 218 | S | 49 | Very low | 45.6 | Very low | 110 Ų | 110 | 155.5 Ų | 155.5 | 77% | 0.769 | 78% | 0.78 | S | S | * | * | trans | -60.4 | 108.5 | 172.1 | 49.2 | 0 | 0 | 0 | 0 | 106.7 | K216 P220 | K216-S218 PolarHBondContact O-N 2.99Å; S218-P220 WeakPolarHBondContact O-CD 3.27Å | ||
| 219 | I | 46 | Very low | 45.1 | Very low | 148 Ų | 148 | 156.9 Ų | 156.9 | 76% | 0.759 | 78% | 0.784 | S | S | * | * | trans | -64.9 | 122.9 | 166.5 | -61.2 | 169 | 0 | 0 | 0 | 105.4 | K217 L221 | K217-I219 PolarHBondContact O-N 3.12Å; I219-L221 PolarHBondContact O-N 3.05Å; I219-L221 VanDerWaalsContact O-N 3.07Å | ||
| 220 | P | 49.5 | Very low | 45 | Very low | 96 Ų | 96 | 153.9 Ų | 153.9 | 62% | 0.623 | 78% | 0.783 | S | S | * | * | trans | -63 | 113.2 | 170.8 | 24.9 | -28.9 | 0 | 0 | 0 | 107.7 | S218 N222 | S218-P220 WeakPolarHBondContact O-CD 3.27Å; P220-N222 PolarHBondContact O-N 2.96Å | ||
| 221 | L | 48.5 | Very low | 44.6 | Very low | 164 Ų | 164 | 150.6 Ų | 150.6 | 86% | 0.859 | 78% | 0.782 | S | S | * | * | trans | -69.5 | 86.8 | 167.7 | -99.2 | 146.1 | 0 | 0 | 0 | 106.8 | I219 | I219-L221 PolarHBondContact O-N 3.05Å; I219-L221 VanDerWaalsContact O-N 3.07Å | ||
| 222 | N | 49.1 | Very low | 44.5 | Very low | 140 Ų | 140 | 150.3 Ų | 150.3 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -78.2 | 119.3 | 163.8 | -70.4 | -5.4 | 0 | 0 | 0 | 107.3 | P220 K224 | P220-N222 PolarHBondContact O-N 2.96Å; N222-K224 PolarHBondContact O-N 3.49Å | ||
| 223 | D | 37.8 | Very low | 44.3 | Very low | 157 Ų | 157 | 150.4 Ų | 150.4 | 84% | 0.84 | 79% | 0.788 | S | S | * | * | trans | -56.7 | 102.3 | 172.6 | -70.2 | -41.8 | 0 | 0 | 0 | 110.6 | ||||
| 224 | K | 45.5 | Very low | 44 | Very low | 184 Ų | 184 | 150.1 Ų | 150.1 | 80% | 0.8 | 79% | 0.793 | S | S | * | * | trans | -143.2 | 97.1 | 149 | -70.1 | -164.5 | -180 | -177.6 | 0 | 108.7 | N222 T226 | N222-K224 PolarHBondContact O-N 3.49Å; K224-T226 PolarHBondContact O-N 2.91Å | ||
| 225 | T | 39.4 | Very low | 43.7 | Very low | 146 Ų | 146 | 151.8 Ų | 151.8 | 90% | 0.896 | 80% | 0.797 | S | S | * | * | trans | -45.1 | 104.5 | 155.3 | 38.2 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 226 | T | 46.2 | Very low | 43.5 | Very low | 126 Ų | 126 | 153.7 Ų | 153.7 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -131.6 | 111.1 | 157 | 20.8 | 0 | 0 | 0 | 0 | 107.3 | K224 L228 | K224-T226 PolarHBondContact O-N 2.91Å; T226-L228 PolarHBondContact O-N 3.11Å | ||
| 227 | I | 38.4 | Very low | 43.4 | Very low | 158 Ų | 158 | 149.9 Ų | 149.9 | 81% | 0.81 | 80% | 0.796 | S | S | * | * | trans | -59.7 | 114.7 | 170.7 | -64.9 | 160.8 | 0 | 0 | 0 | 106.7 | ||||
| 228 | L | 40.5 | Very low | 43.1 | Very low | 150 Ų | 150 | 150.6 Ų | 150.6 | 79% | 0.785 | 80% | 0.799 | S | S | * | * | trans | -136.4 | 98.5 | 158.5 | -143.5 | 79 | 0 | 0 | 0 | 108.7 | T226 N230 | T226-L228 PolarHBondContact O-N 3.11Å; L228-N230 PolarHBondContact O-N 2.87Å | ||
| 229 | K | 39.7 | Very low | 42.8 | Very low | 186 Ų | 186 | 150.4 Ų | 150.4 | 81% | 0.809 | 80% | 0.798 | S | S | * | * | trans | -56.1 | 126.3 | 159.4 | -68.6 | 174.9 | 175.8 | 176.8 | 0 | 106.8 | ||||
| 230 | N | 44.1 | Very low | 42.5 | Very low | 144 Ų | 144 | 149.7 Ų | 149.7 | 77% | 0.77 | 80% | 0.8 | S | S | * | * | trans | -153.7 | 104.3 | 150.7 | -87.5 | -24.1 | 0 | 0 | 0 | 108.5 | L228 | L228-N230 PolarHBondContact O-N 2.87Š| ||
| 231 | S | 38.6 | Very low | 42.2 | Very low | 102 Ų | 102 | 154.6 Ų | 154.6 | 71% | 0.713 | 81% | 0.812 | S | S | * | * | trans | -53 | 134.2 | 159.5 | -24.7 | 0 | 0 | 0 | 0 | 109 | ||||
| 232 | N | 43.8 | Very low | 41.6 | Very low | 151 Ų | 151 | 151.1 Ų | 151.1 | 81% | 0.807 | 80% | 0.801 | S | S | * | * | 169.2 | 127.2 | 127.9 | -80.1 | -23.3 | 0 | 0 | 0 | 112.5 | |||||
| 233 | S | 37.4 | Very low | 40.9 | Very low | 101 Ų | 101 | 155.4 Ų | 155.4 | 71% | 0.706 | 81% | 0.807 | S | S | * | * | trans | 49.4 | 107.2 | 147.6 | 72.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 234 | V | 43.8 | Very low | 41 | Very low | 148 Ų | 148 | 157.7 Ų | 157.7 | 90% | 0.897 | 81% | 0.81 | S | S | * | * | trans | -126.9 | 104.6 | 139.8 | 179.6 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 235 | K | 41.3 | Very low | 40.6 | Very low | 192 Ų | 192 | 153.7 Ų | 153.7 | 84% | 0.835 | 81% | 0.805 | S | S | * | * | trans | -72.2 | 129.6 | 168.6 | -66.1 | 176.5 | 176.8 | 176 | 0 | 109.3 | ||||
| 236 | R | 41.7 | Very low | 40.7 | Very low | 241 Ų | 241 | 152 Ų | 152 | 91% | 0.909 | 80% | 0.799 | S | S | * | * | trans | 170.8 | 130.2 | 152.5 | -105.1 | 170.4 | 152.9 | 124.9 | -3.4 | 106.8 | ||||
| 237 | S | 44.9 | Very low | 40.5 | Very low | 108 Ų | 108 | 152.3 Ų | 152.3 | 76% | 0.755 | 80% | 0.796 | S | S | * | * | cis | -166.2 | 139.2 | 5.3 | 20.2 | 0 | 0 | 0 | 0 | 105.5 | S239 | S237-S239 PolarHBondContact O-N 2.85Š| ||
| 238 | K | 40.3 | Very low | 40.4 | Very low | 211 Ų | 211 | 153.2 Ų | 153.2 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -64.1 | 120.1 | 177.7 | -63.5 | 172.2 | 177.5 | 177.2 | 0 | 109.2 | ||||
| 239 | S | 43.1 | Very low | 40.3 | Very low | 106 Ų | 106 | 153.6 Ų | 153.6 | 74% | 0.741 | 80% | 0.798 | S | S | * | * | trans | -106.2 | 108.8 | 157 | 74.1 | 0 | 0 | 0 | 0 | 108.4 | S237 F241 | S237-S239 PolarHBondContact O-N 2.85Å; S239-F241 PolarHBondContact O-N 3.43Å | ||
| 240 | V | 39.3 | Very low | 40.1 | Very low | 133 Ų | 133 | 150.5 Ų | 150.5 | 81% | 0.806 | 80% | 0.8 | S | S | * | * | trans | -65 | 113.3 | 168.7 | 176.9 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 241 | F | 42.6 | Very low | 40 | Very low | 199 Ų | 199 | 149.6 Ų | 149.6 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -125.8 | 134.8 | 154.9 | -99.2 | -78.4 | 0 | 0 | 0 | 110 | S239 | S239-F241 PolarHBondContact O-N 3.43Š| ||
| 242 | S | 36.1 | Very low | 39.8 | Very low | 91 Ų | 91 | 151.1 Ų | 151.1 | 64% | 0.636 | 81% | 0.805 | S | S | * | * | trans | -59.8 | 150.9 | -160.3 | -176.4 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 243 | R | 35.4 | Very low | 39.9 | Very low | 230 Ų | 230 | 151 Ų | 151 | 87% | 0.868 | 81% | 0.809 | S | S | * | * | trans | -49.3 | 129 | 162.4 | -61.2 | 169.3 | -162.6 | 159.2 | 4.6 | 110.3 | ||||
| 244 | F | 39.7 | Very low | 40.1 | Very low | 204 Ų | 204 | 153.1 Ų | 153.1 | 90% | 0.895 | 81% | 0.813 | S | S | * | * | trans | -122.9 | 113.9 | 142.2 | -86 | -78.1 | 0 | 0 | 0 | 107.5 | ||||
| 245 | S | 36.5 | Very low | 40 | Very low | 101 Ų | 101 | 153.5 Ų | 153.5 | 71% | 0.706 | 81% | 0.81 | S | S | * | * | trans | -91.6 | 130.1 | 174.4 | 163.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 246 | S | 42.4 | Very low | 39.9 | Very low | 109 Ų | 109 | 152.3 Ų | 152.3 | 76% | 0.762 | 81% | 0.807 | S | S | * | * | trans | -163.1 | 93.9 | 156.4 | 44.5 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 247 | N | 40.7 | Very low | 39.9 | Very low | 134 Ų | 134 | 148.6 Ų | 148.6 | 72% | 0.717 | 80% | 0.8 | S | S | * | * | trans | 28.5 | 113.8 | 133 | -60.1 | 4.2 | 0 | 0 | 0 | 116.6 | ||||
| 248 | E | 36.5 | Very low | 39.7 | Very low | 176 Ų | 176 | 152 Ų | 152 | 82% | 0.822 | 80% | 0.804 | S | S | * | * | 61.2 | 111.5 | 100.6 | -74.8 | -172.9 | 158.8 | 0 | 0 | 113.7 | |||||
| 249 | I | 39.6 | Very low | 39.7 | Very low | 159 Ų | 159 | 145.6 Ų | 145.6 | 82% | 0.815 | 79% | 0.79 | S | S | * | * | -163.9 | 109.3 | 123.4 | -84.3 | 140.7 | 0 | 0 | 0 | 106 | T251 | I249-T251 HydrophobicContact CG2-CG2 4.35Š| |||
| 250 | S | 33.8 | Very low | 39.7 | Very low | 121 Ų | 121 | 147.3 Ų | 147.3 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -80.7 | 124.9 | 163.2 | -68.5 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 251 | T | 42.9 | Very low | 39.7 | Very low | 124 Ų | 124 | 148 Ų | 148 | 76% | 0.761 | 79% | 0.79 | S | S | * | * | trans | -138.7 | 106.9 | 156 | 42.4 | 0 | 0 | 0 | 0 | 109.8 | I249 | I249-T251 HydrophobicContact CG2-CG2 4.35Š| ||
| 252 | T | 34.1 | Very low | 39.8 | Very low | 135 Ų | 135 | 146.8 Ų | 146.8 | 83% | 0.828 | 79% | 0.792 | S | S | * | * | trans | -64.8 | 136 | 163 | 41.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 253 | V | 45.7 | Very low | 39.9 | Very low | 147 Ų | 147 | 147.8 Ų | 147.8 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -143.9 | 119.1 | 149.6 | -95.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 254 | N | 41 | Very low | 39.9 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 80% | 0.799 | S | S | * | * | trans | -58.3 | 150.4 | 171.8 | -81.2 | -31.6 | 0 | 0 | 0 | 111.7 | ||||
| 255 | N | 41.7 | Very low | 39.9 | Very low | 155 Ų | 155 | 137.4 Ų | 137.4 | 83% | 0.829 | 79% | 0.793 | S | S | * | * | -169.7 | 144.1 | 108.4 | -89.3 | -26.5 | 0 | 0 | 0 | 113.4 | |||||
| 256 | Q | 39.1 | Very low | 40.4 | Very low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 79% | 0.792 | S | S | * | * | trans | -56.5 | 150.7 | -175.9 | -64.7 | 155.5 | -23.1 | 0 | 0 | 114.2 | ||||
| 257 | Q | 41.7 | Very low | 40.3 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.762 | 80% | 0.796 | S | S | * | * | 175.9 | 123.3 | 105.7 | -93.3 | 170.4 | 0.4 | 0 | 0 | 111.3 | |||||
| 258 | Q | 41.8 | Very low | 40.6 | Very low | 180 Ų | 180 | 139.1 Ų | 139.1 | 84% | 0.841 | 80% | 0.8 | S | S | * | * | trans | 50.7 | 141.6 | 131.1 | -60.9 | -177.6 | 8.1 | 0 | 0 | 119.8 | ||||
| 259 | A | 39.1 | Very low | 40.9 | Very low | 75 Ų | 75 | 136.5 Ų | 136.5 | 62% | 0.62 | 80% | 0.801 | S | S | * | * | cis | -173.7 | 170.2 | -7.3 | 0 | 0 | 0 | 0 | 0 | 106.9 | ||||
| 260 | N | 44.6 | Very low | 41.2 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | 95.2 | 84.9 | 157 | -52.1 | -21 | 0 | 0 | 0 | 118.5 | ||||
| 261 | N | 39.7 | Very low | 42.2 | Very low | 147 Ų | 147 | 143.4 Ų | 143.4 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | 35.3 | 118.9 | 118.1 | -58.7 | -27 | 0 | 0 | 0 | 118 | |||||
| 262 | L | 44.4 | Very low | 42.5 | Very low | 173 Ų | 173 | 143.9 Ų | 143.9 | 91% | 0.906 | 81% | 0.806 | S | S | * | * | -176 | 125.9 | 119.5 | -94.2 | 165.7 | 0 | 0 | 0 | 111.9 | |||||
| 263 | S | 38.2 | Very low | 43.6 | Very low | 113 Ų | 113 | 143.3 Ų | 143.3 | 79% | 0.79 | 80% | 0.803 | S | S | * | * | trans | 75.5 | 110.1 | 146.7 | -153.2 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 264 | A | 34.6 | Very low | 44.7 | Very low | 104 Ų | 104 | 143 Ų | 143 | 86% | 0.86 | 80% | 0.795 | S | S | * | * | trans | -59.1 | 129.8 | 170 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 265 | S | 40.7 | Very low | 46.4 | Very low | 112 Ų | 112 | 145.5 Ų | 145.5 | 78% | 0.783 | 80% | 0.799 | S | S | * | * | trans | -137.9 | 130.7 | 154.6 | 59 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 266 | S | 45.6 | Very low | 48 | Very low | 98 Ų | 98 | 142 Ų | 142 | 69% | 0.685 | 78% | 0.779 | S | S | * | * | trans | -17.6 | 143 | 179.5 | 54.5 | 0 | 0 | 0 | 0 | 119 | L268 | S266-L268 VanDerWaalsContact C-N 3.32Å; S266-L268 PolarHBondContact O-N 3.49Å | ||
| 267 | P | 40.1 | Very low | 50.1 | Low | 129 Ų | 129 | 138.4 Ų | 138.4 | 84% | 0.838 | 77% | 0.77 | S | S | * | * | trans | -75.8 | 84.8 | 173.7 | 33.7 | -31.7 | 0 | 0 | 0 | 109.6 | S269 | P267-S269 PolarHBondContact O-N 3.06Š| ||
| 268 | L | 47.5 | Very low | 51.7 | Low | 152 Ų | 152 | 135.2 Ų | 135.2 | 80% | 0.796 | 77% | 0.771 | S | S | * | * | trans | -66.8 | 107.8 | 165.7 | -157.6 | 75.4 | 0 | 0 | 0 | 107 | S266 R270 | S266-L268 VanDerWaalsContact C-N 3.32Å; S266-L268 PolarHBondContact O-N 3.49Å; L268-R270 PolarHBondContact O-N 3.13Å | ||
| 269 | S | 43.8 | Very low | 53.6 | Low | 121 Ų | 121 | 132.3 Ų | 132.3 | 85% | 0.846 | 76% | 0.762 | S | S | * | * | trans | -35.2 | 102.3 | -178 | -73.7 | 0 | 0 | 0 | 0 | 111.8 | P267 K271 | P267-S269 PolarHBondContact O-N 3.06Å; S269-K271 PolarHBondContact O-N 3.44Å | ||
| 270 | R | 45.3 | Very low | 56 | Low | 236 Ų | 236 | 130.4 Ų | 130.4 | 89% | 0.891 | 74% | 0.744 | S | S | * | * | trans | -69.9 | 102.3 | -178.5 | -64.2 | -177.8 | -147.5 | 157.3 | 7.4 | 107.6 | L268 T272 | L268-R270 PolarHBondContact O-N 3.13Å; R270-T272 PolarHBondContact O-N 3.13Å | ||
| 271 | K | 53.9 | Low | 57.9 | Low | 190 Ų | 190 | 126.7 Ų | 126.7 | 83% | 0.826 | 73% | 0.733 | S | S | * | * | trans | -38.3 | 127.5 | 157 | -125.8 | 165.2 | -178.3 | 172.2 | 0 | 107.5 | S269 T273 | S269-K271 PolarHBondContact O-N 3.44Å; K271-T273 VanDerWaalsContact C-N 3.31Å; K271-T273 PolarHBondContact O-N 3.3Å; K271-T273 PolarHBondContact O-OG1 3.32Å | ||
| 272 | T | 50.7 | Low | 60.1 | Low | 134 Ų | 134 | 125.9 Ų | 125.9 | 82% | 0.822 | 72% | 0.723 | S | S | * | * | trans | -51.1 | 93 | 180 | 48.4 | 0 | 0 | 0 | 0 | 110.2 | R270 I274 | R270-T272 PolarHBondContact O-N 3.13Å; T272-I274 PolarHBondContact O-N 2.62Å | ||
| 273 | T | 56.3 | Low | 62.1 | Low | 122 Ų | 122 | 119 Ų | 119 | 75% | 0.748 | 69% | 0.691 | S | S | * | * | trans | -69.6 | 104.5 | 169.2 | -56.5 | 0 | 0 | 0 | 0 | 105.2 | K271 K275 | K271-T273 VanDerWaalsContact C-N 3.31Å; K271-T273 PolarHBondContact O-N 3.3Å; K271-T273 PolarHBondContact O-OG1 3.32Å; T273-K275 PolarHBondContact O-N 2.63Å | ||
| 274 | I | 69.8 | Low | 64.4 | Low | 142 Ų | 142 | 120 Ų | 120 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | trans | -49.9 | 115.3 | 170 | -60.6 | 170.8 | 0 | 0 | 0 | 105.8 | T272 I276 | T272-I274 PolarHBondContact O-N 2.62Å; I274-I276 VanDerWaalsContact C-N 3.26Å; I274-I276 PolarHBondContact O-N 3.37Å | ||
| 275 | K | 75.5 | Confident | 66.9 | Low | 199 Ų | 199 | 123.7 Ų | 123.7 | 87% | 0.865 | 67% | 0.669 | S | S | * | * | trans | -67 | 92.1 | 176.9 | -71.5 | -173.1 | 179.4 | -178.4 | 0 | 106.9 | T273 P277 | T273-K275 PolarHBondContact O-N 2.63Å; K275-P277 WeakPolarHBondContact O-CD 3.27Å | ||
| 276 | I | 75.5 | Confident | 69.1 | Low | 82 Ų | 82 | 124.6 Ų | 124.6 | 42% | 0.421 | 66% | 0.659 | S | S | . | * | trans | -65.1 | 121.9 | 173.1 | -60.3 | 178.1 | 0 | 0 | 0 | 106.1 | I274 A278 F282 | I274-I276 VanDerWaalsContact C-N 3.26Å; I274-I276 PolarHBondContact O-N 3.37Å; I276-A278 PolarHBondContact O-N 3.43Å; I276-F282 HydrophobicContact CD1-CD1 3.54Å; I276-F282 HydrophobicContact CD1-CE1 3.85Å; I276-F282 HydrophobicContact CD1-CG 4.34Å; I276-F282 HydrophobicContact CG2-CD1 4.45Å | ||
| 277 | P | 83.5 | Confident | 71 | Confident | 91 Ų | 91 | 122.8 Ų | 122.8 | 59% | 0.591 | 65% | 0.65 | S | S | * | * | trans | -52.1 | 140.4 | 175.5 | -26.3 | 34.4 | 0 | 0 | 0 | 110.3 | K275 D279 S280 | K275-P277 WeakPolarHBondContact O-CD 3.27Å; P277-D279 PolarHBondContact O-N 2.65Å; P277-S280 WeakPolarHBondContact O-CB 3.35Å; P277-S280 PolarHBondContact O-N 3.12Å | ||
| 278 | A | 75.8 | Confident | 73.1 | Confident | 96 Ų | 96 | 124.1 Ų | 124.1 | 79% | 0.793 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.6 | -27.2 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | I276 A283 | I276-A278 PolarHBondContact O-N 3.43Å; A278-A283 VanDerWaalsContact O-CB 3.28Å; A278-A283 WeakPolarHBondContact O-CB 3.39Å |
| 279 | D | 82.2 | Confident | 74.9 | Confident | 119 Ų | 119 | 120.4 Ų | 120.4 | 64% | 0.636 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95 | 16.1 | 176.9 | -158.6 | 21.5 | 0 | 0 | 0 | 114.1 | P277 R284 | P277-D279 PolarHBondContact O-N 2.65Å; D279-R284 PolarHBondContact O-NH1 3.3Å; D279-R284 IonicContact OD1-CZ 2.81Å; D279-R284 IonicContact OD1-NH1 2.63Å; D279-R284 PolarHBondContact OD1-NH1 2.84Å; D279-R284 IonicContact OD2-NH1 3.18Å |
| 280 | S | 87.7 | Confident | 76.8 | Confident | 36 Ų | 36 | 119.4 Ų | 119.4 | 25% | 0.252 | 61% | 0.605 | S | S | . | * | S | Bend | trans | -66.9 | 143.3 | 169.8 | 176.6 | 0 | 0 | 0 | 0 | 110.5 | P277 F282 A283 R284 | P277-S280 WeakPolarHBondContact O-CB 3.35Å; P277-S280 PolarHBondContact O-N 3.12Å; S280-F282 PolarHBondContact O-N 3.25Å; S280-F282 PolarHBondContact OG-N 2.97Å; S280-A283 WeakPolarHBondContact O-CB 3.34Å; S280-A283 PolarHBondContact O-N 3.42Å; S280-R284 PolarHBondContact O-N 2.75Å |
| 281 | A | 86.3 | Confident | 78.5 | Confident | 65 Ų | 65 | 115.4 Ų | 115.4 | 54% | 0.537 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -51.4 | -32.7 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R285 | A281-R285 WeakPolarHBondContact O-CB 3.19Å; A281-R285 PolarHBondContact O-N 2.68Å |
| 282 | F | 85 | Confident | 79.3 | Confident | 130 Ų | 130 | 108.8 Ų | 108.8 | 57% | 0.57 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -67.3 | -45.7 | 174.8 | -177.6 | -95.3 | 0 | 0 | 0 | 112.4 | I276 S280 R285 K286 | I276-F282 HydrophobicContact CD1-CD1 3.54Å; I276-F282 HydrophobicContact CD1-CE1 3.85Å; I276-F282 HydrophobicContact CD1-CG 4.34Å; I276-F282 HydrophobicContact CG2-CD1 4.45Å; S280-F282 PolarHBondContact O-N 3.25Å; S280-F282 PolarHBondContact OG-N 2.97Å; F282-R285 PolarHBondContact O-N 2.98Å; F282-K286 WeakPolarHBondContact O-CB 3.24Å; F282-K286 PolarHBondContact O-N 2.97Å |
| 283 | A | 85.4 | Confident | 80 | Confident | 27 Ų | 27 | 106.2 Ų | 106.2 | 22% | 0.223 | 55% | 0.552 | C | S | . | * | H | α-helix | trans | -63.5 | -43.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | A278 S280 K286 A287 | A278-A283 VanDerWaalsContact O-CB 3.28Å; A278-A283 WeakPolarHBondContact O-CB 3.39Å; S280-A283 WeakPolarHBondContact O-CB 3.34Å; S280-A283 PolarHBondContact O-N 3.42Å; A283-K286 PolarHBondContact O-N 2.89Å; A283-A287 WeakPolarHBondContact O-CB 3.22Å; A283-A287 PolarHBondContact O-N 2.83Å |
| 284 | R | 86.8 | Confident | 80.4 | Confident | 134 Ų | 134 | 105.9 Ų | 105.9 | 51% | 0.506 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.8 | -45.7 | 175.4 | -66.6 | -167 | -63.8 | -107.6 | -1.5 | 112.4 | D279 S280 A287 Y288 | D279-R284 PolarHBondContact O-NH1 3.3Å; D279-R284 IonicContact OD1-CZ 2.81Å; D279-R284 IonicContact OD1-NH1 2.63Å; D279-R284 PolarHBondContact OD1-NH1 2.84Å; D279-R284 IonicContact OD2-NH1 3.18Å; S280-R284 PolarHBondContact O-N 2.75Å; R284-A287 PolarHBondContact O-N 2.69Å; R284-Y288 PolarHBondContact O-N 3.19Å |
| 285 | R | 87 | Confident | 79.9 | Confident | 182 Ų | 182 | 102.6 Ų | 102.6 | 69% | 0.687 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.4 | -45.5 | 175.6 | -175 | 175.9 | -178.1 | 172.4 | 3.3 | 111.8 | A281 F282 A287 Y288 D289 | A281-R285 WeakPolarHBondContact O-CB 3.19Å; A281-R285 PolarHBondContact O-N 2.68Å; F282-R285 PolarHBondContact O-N 2.98Å; R285-A287 VanDerWaalsContact C-N 3.32Å; R285-A287 PolarHBondContact O-N 2.93Å; R285-Y288 PolarHBondContact O-N 2.75Å; R285-D289 PolarHBondContact O-N 3.33Å |
| 286 | K | 87.2 | Confident | 79 | Confident | 132 Ų | 132 | 101.8 Ų | 101.8 | 57% | 0.574 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.4 | -34.4 | 179.8 | -163.7 | -105.1 | -173.8 | 176.3 | 0 | 112.3 | F282 A283 L290 | F282-K286 WeakPolarHBondContact O-CB 3.24Å; F282-K286 PolarHBondContact O-N 2.97Å; A283-K286 PolarHBondContact O-N 2.89Å; K286-L290 WeakPolarHBondContact O-CB 3.3Å; K286-L290 PolarHBondContact O-N 3.33Å; K286-L290 VanDerWaalsContact O-N 3.12Å |
| 287 | A | 85.2 | Confident | 78 | Confident | 60 Ų | 60 | 108.3 Ų | 108.3 | 50% | 0.496 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -68.9 | -43.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A283 R284 R285 L290 K291 | A283-A287 WeakPolarHBondContact O-CB 3.22Å; A283-A287 PolarHBondContact O-N 2.83Å; R284-A287 PolarHBondContact O-N 2.69Å; R285-A287 VanDerWaalsContact C-N 3.32Å; R285-A287 PolarHBondContact O-N 2.93Å; A287-L290 PolarHBondContact O-N 2.88Å; A287-K291 PolarHBondContact O-N 2.84Å |
| 288 | Y | 85.4 | Confident | 76.8 | Confident | 157 Ų | 157 | 110.7 Ų | 110.7 | 62% | 0.616 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.3 | -47.9 | 175 | -178.6 | -93 | 0 | 0 | 0 | 111.8 | R284 R285 L290 K291 C292 | R284-Y288 PolarHBondContact O-N 3.19Å; R285-Y288 PolarHBondContact O-N 2.75Å; Y288-L290 VanDerWaalsContact C-N 3.3Å; Y288-L290 PolarHBondContact O-N 2.72Å; Y288-K291 PolarHBondContact O-N 2.79Å; Y288-C292 VanDerWaalsContact CE1-SG 3.59Å; Y288-C292 VanDerWaalsContact CZ-SG 3.57Å; Y288-C292 PolarHBondContact O-N 3.11Å |
| 289 | D | 85.6 | Confident | 75.6 | Confident | 74 Ų | 74 | 110.6 Ų | 110.6 | 40% | 0.396 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.8 | -37.7 | 178 | -73.6 | -20 | 0 | 0 | 0 | 111.8 | R285 N293 | R285-D289 PolarHBondContact O-N 3.33Å; D289-N293 WeakPolarHBondContact O-CB 3.21Å; D289-N293 PolarHBondContact O-N 3.02Å; D289-N293 PolarHBondContact O-ND2 3.06Å |
| 290 | L | 82 | Confident | 73.6 | Confident | 99 Ų | 99 | 109.4 Ų | 109.4 | 52% | 0.518 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 176.6 | -164.3 | 71 | 0 | 0 | 0 | 111.5 | K286 A287 Y288 N293 Q294 | K286-L290 WeakPolarHBondContact O-CB 3.3Å; K286-L290 PolarHBondContact O-N 3.33Å; K286-L290 VanDerWaalsContact O-N 3.12Å; A287-L290 PolarHBondContact O-N 2.88Å; Y288-L290 VanDerWaalsContact C-N 3.3Å; Y288-L290 PolarHBondContact O-N 2.72Å; L290-N293 PolarHBondContact O-N 2.83Å; L290-Q294 PolarHBondContact O-N 3.01Å |
| 291 | K | 81.6 | Confident | 71.8 | Confident | 152 Ų | 152 | 112.9 Ų | 112.9 | 66% | 0.661 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -65.7 | -47.6 | 177 | -167 | 174.6 | -178.1 | 178.7 | 0 | 111.5 | A287 Y288 N293 Q294 S295 | A287-K291 PolarHBondContact O-N 2.84Å; Y288-K291 PolarHBondContact O-N 2.79Å; K291-N293 VanDerWaalsContact C-N 3.34Å; K291-N293 PolarHBondContact O-N 3.03Å; K291-Q294 PolarHBondContact O-N 2.98Å; K291-S295 PolarHBondContact O-N 2.87Å; K291-S295 PolarHBondContact O-OG 3.47Å; K291-S295 VanDerWaalsContact O-OG 3.09Å |
| 292 | C | 71.7 | Confident | 70 | Confident | 51 Ų | 51 | 115.1 Ų | 115.1 | 35% | 0.345 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -64.4 | -35.7 | 176.3 | -78.6 | 0 | 0 | 0 | 0 | 112.9 | Y288 S295 R296 | Y288-C292 VanDerWaalsContact CE1-SG 3.59Å; Y288-C292 VanDerWaalsContact CZ-SG 3.57Å; Y288-C292 PolarHBondContact O-N 3.11Å; C292-S295 PolarHBondContact O-N 2.72Å; C292-R296 WeakPolarHBondContact O-CB 3.5Å; C292-R296 PolarHBondContact O-N 2.94Å |
| 293 | N | 65.4 | Low | 67.9 | Low | 81 Ų | 81 | 117.3 Ų | 117.3 | 43% | 0.433 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -72.9 | -33 | 175.7 | -77.6 | -42 | 0 | 0 | 0 | 112.7 | D289 L290 K291 R296 R297 | D289-N293 WeakPolarHBondContact O-CB 3.21Å; D289-N293 PolarHBondContact O-N 3.02Å; D289-N293 PolarHBondContact O-ND2 3.06Å; L290-N293 PolarHBondContact O-N 2.83Å; K291-N293 VanDerWaalsContact C-N 3.34Å; K291-N293 PolarHBondContact O-N 3.03Å; N293-R296 PolarHBondContact O-N 3.36Å; N293-R297 WeakPolarHBondContact O-CB 3.48Å; N293-R297 WeakPolarHBondContact O-CG 3.38Å; N293-R297 PolarHBondContact O-N 3.22Å |
| 294 | Q | 64.4 | Low | 65.9 | Low | 115 Ų | 115 | 126.9 Ų | 126.9 | 54% | 0.537 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -63.1 | -45.8 | 170.2 | -84 | -179.9 | -10.5 | 0 | 0 | 111 | L290 K291 R296 R297 L298 | L290-Q294 PolarHBondContact O-N 3.01Å; K291-Q294 PolarHBondContact O-N 2.98Å; Q294-R296 VanDerWaalsContact C-N 3.28Å; Q294-R296 PolarHBondContact O-N 2.75Å; Q294-R297 PolarHBondContact O-N 3.07Å; Q294-R297 VanDerWaalsContact O-N 3.12Å; Q294-L298 WeakPolarHBondContact O-CG 3.43Å; Q294-L298 PolarHBondContact O-N 2.69Å |
| 295 | S | 59 | Low | 63.9 | Low | 73 Ų | 73 | 127 Ų | 127 | 51% | 0.51 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -58.8 | -40.1 | 174.7 | -50.4 | 0 | 0 | 0 | 0 | 111.9 | K291 C292 L298 S299 | K291-S295 PolarHBondContact O-N 2.87Å; K291-S295 PolarHBondContact O-OG 3.47Å; K291-S295 VanDerWaalsContact O-OG 3.09Å; C292-S295 PolarHBondContact O-N 2.72Å; S295-L298 PolarHBondContact O-N 2.93Å; S295-S299 WeakPolarHBondContact O-CB 3.44Å; S295-S299 PolarHBondContact O-N 3.02Å; S295-S299 PolarHBondContact O-OG 3.06Å; S295-S299 VanDerWaalsContact O-OG 3.12Å |
| 296 | R | 56 | Low | 61.6 | Low | 182 Ų | 182 | 123.5 Ų | 123.5 | 69% | 0.687 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -69.6 | -31.1 | 177.1 | -164.2 | -176.8 | -68 | -154.9 | 0.4 | 113.3 | C292 N293 Q294 | C292-R296 WeakPolarHBondContact O-CB 3.5Å; C292-R296 PolarHBondContact O-N 2.94Å; N293-R296 PolarHBondContact O-N 3.36Å; Q294-R296 VanDerWaalsContact C-N 3.28Å; Q294-R296 PolarHBondContact O-N 2.75Å |
| 297 | R | 55.7 | Low | 59.6 | Low | 218 Ų | 218 | 125.7 Ų | 125.7 | 82% | 0.823 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -77.5 | -31.5 | 175.9 | -79.5 | -174.1 | 164.5 | -173.9 | -3.9 | 112.7 | N293 Q294 | N293-R297 WeakPolarHBondContact O-CB 3.48Å; N293-R297 WeakPolarHBondContact O-CG 3.38Å; N293-R297 PolarHBondContact O-N 3.22Å; Q294-R297 PolarHBondContact O-N 3.07Å; Q294-R297 VanDerWaalsContact O-N 3.12Å |
| 298 | L | 56.6 | Low | 57.3 | Low | 141 Ų | 141 | 131.9 Ų | 131.9 | 74% | 0.738 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -84 | -28.5 | 176.9 | -64.5 | 174.2 | 0 | 0 | 0 | 112.6 | Q294 S295 C300 | Q294-L298 WeakPolarHBondContact O-CG 3.43Å; Q294-L298 PolarHBondContact O-N 2.69Å; S295-L298 PolarHBondContact O-N 2.93Å; L298-C300 VanDerWaalsContact C-N 3.28Å; L298-C300 PolarHBondContact O-N 3.06Å |
| 299 | S | 51.7 | Low | 55.1 | Low | 95 Ų | 95 | 131.4 Ų | 131.4 | 66% | 0.664 | 66% | 0.662 | S | S | * | * | S | Bend | trans | -82.8 | -1.7 | 179.2 | 76.2 | 0 | 0 | 0 | 0 | 114.3 | S295 | S295-S299 WeakPolarHBondContact O-CB 3.44Å; S295-S299 PolarHBondContact O-N 3.02Å; S295-S299 PolarHBondContact O-OG 3.06Å; S295-S299 VanDerWaalsContact O-OG 3.12Å |
| 300 | C | 39.4 | Very low | 52.9 | Low | 93 Ų | 93 | 132.6 Ų | 132.6 | 63% | 0.628 | 68% | 0.676 | S | S | * | * | trans | -116.6 | 62.8 | 178.2 | -157.6 | 0 | 0 | 0 | 0 | 108.9 | L298 P302 | L298-C300 VanDerWaalsContact C-N 3.28Å; L298-C300 PolarHBondContact O-N 3.06Å; C300-P302 VanDerWaalsContact O-CD 3.3Å; C300-P302 WeakPolarHBondContact O-CD 3.24Å | ||
| 301 | T | 50.7 | Low | 50.8 | Low | 110 Ų | 110 | 136.2 Ų | 136.2 | 68% | 0.675 | 69% | 0.694 | S | S | * | * | trans | -59.1 | 118.6 | 159.6 | 38.9 | 0 | 0 | 0 | 0 | 107.2 | H303 | T301-H303 PolarHBondContact O-N 2.79Š| ||
| 302 | P | 47.8 | Very low | 48.9 | Very low | 112 Ų | 112 | 134.6 Ų | 134.6 | 73% | 0.727 | 70% | 0.697 | S | S | * | * | trans | -67.3 | 109.4 | 165.3 | 28.6 | -26.9 | 0 | 0 | 0 | 104.7 | C300 R304 | C300-P302 VanDerWaalsContact O-CD 3.3Å; C300-P302 WeakPolarHBondContact O-CD 3.24Å; P302-R304 PolarHBondContact O-N 2.92Å | ||
| 303 | H | 41.5 | Very low | 47.9 | Very low | 176 Ų | 176 | 137.8 Ų | 137.8 | 82% | 0.815 | 72% | 0.717 | S | S | * | * | trans | -65.2 | 77.2 | 165.2 | -123.4 | -44.7 | 0 | 0 | 0 | 107 | T301 I305 | T301-H303 PolarHBondContact O-N 2.79Å; H303-I305 VanDerWaalsContact C-N 3.29Å; H303-I305 PolarHBondContact O-N 2.96Å; H303-I305 VanDerWaalsContact O-N 3.1Å | ||
| 304 | R | 42.9 | Very low | 47.2 | Very low | 227 Ų | 227 | 139.7 Ų | 139.7 | 86% | 0.857 | 73% | 0.734 | S | S | * | * | trans | -79.2 | 91.6 | 170.2 | -148.6 | -179 | -167.6 | -179.3 | 2.3 | 104.3 | P302 S306 | P302-R304 PolarHBondContact O-N 2.92Å; R304-S306 PolarHBondContact O-N 2.9Å | ||
| 305 | I | 45.4 | Very low | 46.4 | Very low | 138 Ų | 138 | 143.4 Ų | 143.4 | 71% | 0.708 | 75% | 0.749 | S | S | * | * | trans | -64.5 | 91 | 167.8 | -53 | 169.2 | 0 | 0 | 0 | 105.2 | H303 K307 | H303-I305 VanDerWaalsContact C-N 3.29Å; H303-I305 PolarHBondContact O-N 2.96Å; H303-I305 VanDerWaalsContact O-N 3.1Å; I305-K307 VanDerWaalsContact C-N 3.26Å; I305-K307 HydrophobicContact CG2-CG 4.24Å; I305-K307 PolarHBondContact O-N 3.45Å | ||
| 306 | S | 38.5 | Very low | 45.7 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -70.4 | 89.1 | 166.3 | 54.2 | 0 | 0 | 0 | 0 | 107.1 | R304 Q308 | R304-S306 PolarHBondContact O-N 2.9Å; S306-Q308 PolarHBondContact O-N 3.12Å | ||
| 307 | K | 44 | Very low | 45.4 | Very low | 178 Ų | 178 | 145.4 Ų | 145.4 | 77% | 0.774 | 77% | 0.771 | S | S | * | * | trans | -72.8 | 103.3 | 155.1 | -77.4 | -167.9 | 176.3 | -172.2 | 0 | 106.9 | I305 L309 | I305-K307 VanDerWaalsContact C-N 3.26Å; I305-K307 HydrophobicContact CG2-CG 4.24Å; I305-K307 PolarHBondContact O-N 3.45Å; K307-L309 PolarHBondContact O-N 3Å | ||
| 308 | Q | 37 | Very low | 45.1 | Very low | 190 Ų | 190 | 141.1 Ų | 141.1 | 89% | 0.888 | 77% | 0.769 | S | S | * | * | trans | -40.4 | 98.7 | 158.7 | -167.5 | 177.8 | 15 | 0 | 0 | 110.1 | S306 | S306-Q308 PolarHBondContact O-N 3.12Š| ||
| 309 | L | 40.7 | Very low | 44.9 | Very low | 147 Ų | 147 | 140.5 Ų | 140.5 | 77% | 0.77 | 77% | 0.771 | S | S | * | * | trans | -149.3 | 116.9 | 165.4 | -109.4 | 112.6 | 0 | 0 | 0 | 109.9 | K307 | K307-L309 PolarHBondContact O-N 3Š| ||
| 310 | S | 38.4 | Very low | 45.1 | Very low | 98 Ų | 98 | 142.6 Ų | 142.6 | 69% | 0.685 | 77% | 0.773 | S | S | * | * | trans | 54.4 | 110.8 | 159 | 61.6 | 0 | 0 | 0 | 0 | 119.1 | T312 | S310-T312 PolarHBondContact O-N 2.69Š| ||
| 311 | I | 38.1 | Very low | 45.8 | Very low | 175 Ų | 175 | 149.5 Ų | 149.5 | 90% | 0.897 | 79% | 0.786 | S | S | * | * | trans | -44.1 | 112.7 | 158.4 | -61.3 | 152.5 | 0 | 0 | 0 | 110.6 | ||||
| 312 | T | 40.9 | Very low | 46.1 | Very low | 118 Ų | 118 | 152.2 Ų | 152.2 | 72% | 0.724 | 79% | 0.791 | S | S | * | * | trans | -157.6 | 128.5 | 155.4 | 14 | 0 | 0 | 0 | 0 | 108.7 | S310 | S310-T312 PolarHBondContact O-N 2.69Š| ||
| 313 | P | 50.6 | Low | 46.7 | Very low | 118 Ų | 118 | 151.1 Ų | 151.1 | 77% | 0.766 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 130.1 | -177 | 28.9 | -31.2 | 0 | 0 | 0 | 110.3 | K315 | P313-K315 PolarHBondContact O-N 3.1Š|
| 314 | P | 50.8 | Low | 47.9 | Very low | 122 Ų | 122 | 150.9 Ų | 150.9 | 79% | 0.792 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -76.1 | 127.3 | 178.3 | 29.8 | -30.2 | 0 | 0 | 0 | 110 | L316 | P314-L316 PolarHBondContact O-N 2.86Š|
| 315 | K | 48.3 | Very low | 49.1 | Very low | 193 Ų | 193 | 150.4 Ų | 150.4 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -46.8 | 127.4 | 171.8 | -78.3 | 175.3 | 174.7 | 174.5 | 0 | 111.1 | P313 T317 | P313-K315 PolarHBondContact O-N 3.1Å; K315-T317 PolarHBondContact O-N 3Å |
| 316 | L | 44.9 | Very low | 49.7 | Very low | 177 Ų | 177 | 149 Ų | 149 | 93% | 0.927 | 77% | 0.773 | S | S | * | * | trans | -53.2 | 97.3 | 169.2 | -70.8 | 160.6 | 0 | 0 | 0 | 109.5 | P314 | P314-L316 PolarHBondContact O-N 2.86Š| ||
| 317 | T | 50 | Low | 50.5 | Low | 119 Ų | 119 | 148.9 Ų | 148.9 | 73% | 0.73 | 77% | 0.77 | S | S | * | * | trans | -101.1 | 107.4 | 166.2 | 41.8 | 0 | 0 | 0 | 0 | 107.4 | K315 V319 | K315-T317 PolarHBondContact O-N 3Å; T317-V319 PolarHBondContact O-N 3.19Å | ||
| 318 | T | 48.7 | Very low | 51.4 | Low | 129 Ų | 129 | 148.3 Ų | 148.3 | 79% | 0.791 | 77% | 0.767 | S | S | * | * | trans | -67.1 | 69.8 | -177.2 | -20.6 | 0 | 0 | 0 | 0 | 110.3 | I320 | T318-I320 VanDerWaalsContact C-N 3.29Å; T318-I320 PolarHBondContact O-N 3.07Å | ||
| 319 | V | 51.7 | Low | 52.6 | Low | 127 Ų | 127 | 144.7 Ų | 144.7 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | -78.6 | 90.9 | 164.6 | -176.1 | 0 | 0 | 0 | 0 | 106.2 | T317 R321 | T317-V319 PolarHBondContact O-N 3.19Å; V319-R321 PolarHBondContact O-N 3.03Å | ||
| 320 | I | 56.7 | Low | 53.1 | Low | 140 Ų | 140 | 147 Ų | 147 | 72% | 0.718 | 76% | 0.764 | S | S | * | * | trans | -49.5 | 110.3 | 174.5 | -62.2 | 170.8 | 0 | 0 | 0 | 107.7 | T318 Q322 | T318-I320 VanDerWaalsContact C-N 3.29Å; T318-I320 PolarHBondContact O-N 3.07Å; I320-Q322 PolarHBondContact O-N 3.12Å; I320-Q322 VanDerWaalsContact O-N 3.08Å | ||
| 321 | R | 53.3 | Low | 54.3 | Low | 238 Ų | 238 | 146.8 Ų | 146.8 | 90% | 0.898 | 76% | 0.758 | S | S | * | * | trans | -62.9 | 110.8 | 170.6 | -81.5 | -179.2 | 161.8 | -176 | -3.7 | 107.1 | V319 D323 | V319-R321 PolarHBondContact O-N 3.03Å; R321-D323 PolarHBondContact O-N 3.12Å | ||
| 322 | Q | 57.5 | Low | 55.7 | Low | 167 Ų | 167 | 142.8 Ų | 142.8 | 78% | 0.78 | 74% | 0.739 | S | S | * | * | trans | -62.9 | 123.4 | 173.5 | -71 | -177.4 | -11.6 | 0 | 0 | 109.1 | I320 | I320-Q322 PolarHBondContact O-N 3.12Å; I320-Q322 VanDerWaalsContact O-N 3.08Å | ||
| 323 | D | 59.8 | Low | 57.3 | Low | 88 Ų | 88 | 142.2 Ų | 142.2 | 47% | 0.471 | 74% | 0.735 | S | S | . | * | trans | -65.6 | 133.5 | 177 | -169.8 | -9.3 | 0 | 0 | 0 | 109.8 | R321 R325 I326 | R321-D323 PolarHBondContact O-N 3.12Å; D323-R325 PolarHBondContact O-N 3.27Å; D323-R325 VanDerWaalsContact O-N 3.12Å; D323-R325 PolarHBondContact OD1-N 3.08Å; D323-I326 HydrophobicContact CB-CD1 4.18Å; D323-I326 HydrophobicContact CB-CG1 4.2Å; D323-I326 PolarHBondContact O-N 2.97Å; D323-I326 VanDerWaalsContact O-N 3.12Å | ||
| 324 | I | 67.6 | Low | 58.5 | Low | 172 Ų | 172 | 146.9 Ų | 146.9 | 88% | 0.882 | 74% | 0.737 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64 | -18.5 | -178.9 | -56.7 | 169.2 | 0 | 0 | 0 | 110.7 | I326 | I324-I326 VanDerWaalsContact C-N 3.33Š|
| 325 | R | 67.2 | Low | 59.6 | Low | 217 Ų | 217 | 148.4 Ų | 148.4 | 82% | 0.819 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -10.9 | 178.2 | -58.4 | 179.4 | -164.4 | -172.3 | 5.7 | 114.1 | D323 P327 | D323-R325 PolarHBondContact O-N 3.27Å; D323-R325 VanDerWaalsContact O-N 3.12Å; D323-R325 PolarHBondContact OD1-N 3.08Å; R325-P327 WeakPolarHBondContact O-CD 3.35Å |
| 326 | I | 58.3 | Low | 61 | Low | 109 Ų | 109 | 142.4 Ų | 142.4 | 56% | 0.559 | 70% | 0.704 | S | S | * | * | S | Bend | trans | -76.3 | 112.4 | 177.2 | -59.2 | 170.2 | 0 | 0 | 0 | 107.9 | D323 I324 K328 | D323-I326 HydrophobicContact CB-CD1 4.18Å; D323-I326 HydrophobicContact CB-CG1 4.2Å; D323-I326 PolarHBondContact O-N 2.97Å; D323-I326 VanDerWaalsContact O-N 3.12Å; I324-I326 VanDerWaalsContact C-N 3.33Å; I326-K328 PolarHBondContact O-N 3.34Å |
| 327 | P | 55.1 | Low | 62.8 | Low | 105 Ų | 105 | 141.6 Ų | 141.6 | 68% | 0.682 | 69% | 0.694 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 116.4 | 175.5 | 25.6 | -31 | 0 | 0 | 0 | 108 | R325 | R325-P327 WeakPolarHBondContact O-CD 3.35Š|
| 328 | K | 64.4 | Low | 64.3 | Low | 166 Ų | 166 | 141.2 Ų | 141.2 | 72% | 0.722 | 69% | 0.685 | S | S | * | * | P | Polyproline II helix | trans | -55.7 | 134.8 | 169.4 | -74.9 | 177.4 | 179 | 174.1 | 0 | 107.6 | I326 F330 | I326-K328 PolarHBondContact O-N 3.34Å; K328-F330 PolarHBondContact O-N 2.92Å |
| 329 | P | 61.2 | Low | 66 | Low | 113 Ų | 113 | 139.4 Ų | 139.4 | 73% | 0.734 | 67% | 0.667 | S | S | * | * | P | Polyproline II helix | trans | -52.2 | 122.9 | 170.1 | 22.8 | -31.5 | 0 | 0 | 0 | 106.4 | V331 | P329-V331 VanDerWaalsContact C-N 3.32Å; P329-V331 PolarHBondContact O-N 2.91Å |
| 330 | F | 52 | Low | 67.6 | Low | 196 Ų | 196 | 139 Ų | 139 | 86% | 0.86 | 66% | 0.66 | S | S | * | * | trans | -52 | 98.8 | -173.2 | -72.9 | -88.4 | 0 | 0 | 0 | 108.9 | K328 N332 | K328-F330 PolarHBondContact O-N 2.92Å; F330-N332 VanDerWaalsContact C-N 3.3Å; F330-N332 PolarHBondContact O-N 3.49Å | ||
| 331 | V | 64.2 | Low | 69 | Low | 93 Ų | 93 | 134.7 Ų | 134.7 | 56% | 0.564 | 64% | 0.643 | S | S | * | * | trans | -63.7 | 103.7 | 169.9 | -177.1 | 0 | 0 | 0 | 0 | 103.5 | P329 V333 N336 | P329-V331 VanDerWaalsContact C-N 3.32Å; P329-V331 PolarHBondContact O-N 2.91Å; V331-V333 WeakPolarHBondContact O-CG2 3.5Å; V331-V333 PolarHBondContact O-N 3.05Å; V331-N336 VanDerWaalsContact CG1-ND2 3.25Å; V331-N336 WeakPolarHBondContact CG1-ND2 3.36Å | ||
| 332 | N | 67.3 | Low | 70.7 | Confident | 91 Ų | 91 | 127 Ų | 127 | 49% | 0.487 | 62% | 0.619 | S | S | . | * | trans | -72.8 | 80.8 | -173.1 | -148.2 | -20 | 0 | 0 | 0 | 106.4 | F330 R334 R335 N336 | F330-N332 VanDerWaalsContact C-N 3.3Å; F330-N332 PolarHBondContact O-N 3.49Å; N332-R334 PolarHBondContact O-N 3.43Å; N332-R335 HydrophobicContact CB-CB 3.94Å; N332-R335 WeakPolarHBondContact O-CA 3.35Å; N332-R335 WeakPolarHBondContact O-CB 3.45Å; N332-R335 PolarHBondContact O-N 3.46Å; N332-N336 PolarHBondContact O-N 2.92Å | ||
| 333 | V | 74.2 | Confident | 72.2 | Confident | 107 Ų | 107 | 123.1 Ų | 123.1 | 65% | 0.648 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -53.3 | -35.6 | -167.1 | -179.2 | 0 | 0 | 0 | 0 | 110.8 | V331 K337 | V331-V333 WeakPolarHBondContact O-CG2 3.5Å; V331-V333 PolarHBondContact O-N 3.05Å; V333-K337 WeakPolarHBondContact O-CB 3.4Å; V333-K337 PolarHBondContact O-N 3.12Å |
| 334 | R | 74.4 | Confident | 73.5 | Confident | 216 Ų | 216 | 123 Ų | 123 | 82% | 0.815 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65.6 | -41.4 | 176.3 | -167.8 | 176.5 | -176.8 | 172.3 | 1.5 | 112.7 | N332 M338 | N332-R334 PolarHBondContact O-N 3.43Å; R334-M338 WeakPolarHBondContact O-CB 3.49Å; R334-M338 PolarHBondContact O-N 3.37Å; R334-M338 VanDerWaalsContact O-N 3.1Å |
| 335 | R | 75.1 | Confident | 74.7 | Confident | 153 Ų | 153 | 121.3 Ų | 121.3 | 58% | 0.577 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -67.2 | -49.4 | 177.4 | -152 | -175.7 | -166.3 | 120.8 | 0.1 | 110.5 | N332 K337 M338 E339 | N332-R335 HydrophobicContact CB-CB 3.94Å; N332-R335 WeakPolarHBondContact O-CA 3.35Å; N332-R335 WeakPolarHBondContact O-CB 3.45Å; N332-R335 PolarHBondContact O-N 3.46Å; R335-K337 VanDerWaalsContact C-N 3.3Å; R335-K337 PolarHBondContact O-N 3.03Å; R335-M338 PolarHBondContact O-N 2.89Å; R335-M338 VanDerWaalsContact O-N 3.08Å; R335-E339 PolarHBondContact O-N 3.45Å |
| 336 | N | 77.6 | Confident | 76 | Confident | 67 Ų | 67 | 116.9 Ų | 116.9 | 36% | 0.358 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60 | -39.6 | 177.2 | -69.2 | 18.4 | 0 | 0 | 0 | 111.9 | V331 N332 L340 | V331-N336 VanDerWaalsContact CG1-ND2 3.25Å; V331-N336 WeakPolarHBondContact CG1-ND2 3.36Å; N332-N336 PolarHBondContact O-N 2.92Å; N336-L340 WeakPolarHBondContact O-CB 3.25Å; N336-L340 VanDerWaalsContact O-CG 3.27Å; N336-L340 WeakPolarHBondContact O-CG 3.46Å; N336-L340 PolarHBondContact O-N 3.44Å |
| 337 | K | 81.7 | Confident | 77.6 | Confident | 161 Ų | 161 | 116.1 Ų | 116.1 | 70% | 0.7 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -65.7 | -38.4 | 176.9 | -171.2 | 176.1 | -178.9 | -179.2 | 0 | 112.1 | V333 R335 S341 | V333-K337 WeakPolarHBondContact O-CB 3.4Å; V333-K337 PolarHBondContact O-N 3.12Å; R335-K337 VanDerWaalsContact C-N 3.3Å; R335-K337 PolarHBondContact O-N 3.03Å; K337-S341 WeakPolarHBondContact O-CB 3.32Å; K337-S341 PolarHBondContact O-N 3.26Å; K337-S341 VanDerWaalsContact O-N 3.08Å |
| 338 | M | 83.2 | Confident | 79.3 | Confident | 110 Ų | 110 | 118.9 Ų | 118.9 | 54% | 0.542 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.1 | -44.4 | 177.4 | -169.7 | 175.1 | 72.5 | 0 | 0 | 111.5 | R334 R335 S341 N342 | R334-M338 WeakPolarHBondContact O-CB 3.49Å; R334-M338 PolarHBondContact O-N 3.37Å; R334-M338 VanDerWaalsContact O-N 3.1Å; R335-M338 PolarHBondContact O-N 2.89Å; R335-M338 VanDerWaalsContact O-N 3.08Å; M338-S341 PolarHBondContact O-N 3.33Å; M338-S341 PolarHBondContact O-OG 3.29Å; M338-N342 PolarHBondContact O-N 2.89Å |
| 339 | E | 83.8 | Confident | 80.6 | Confident | 92 Ų | 92 | 116.7 Ų | 116.7 | 43% | 0.43 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -60.2 | -47.9 | 176.1 | -73.8 | 170.1 | -167.2 | 0 | 0 | 111.6 | R335 S341 N342 I343 | R335-E339 PolarHBondContact O-N 3.45Å; E339-S341 VanDerWaalsContact C-N 3.27Å; E339-S341 PolarHBondContact O-N 2.97Å; E339-N342 PolarHBondContact O-N 3.18Å; E339-N342 VanDerWaalsContact O-N 3.09Å; E339-I343 WeakPolarHBondContact O-CG1 3.35Å; E339-I343 PolarHBondContact O-N 3.25Å |
| 340 | L | 84.2 | Confident | 82.1 | Confident | 119 Ų | 119 | 115.9 Ų | 115.9 | 62% | 0.623 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -59.9 | -37.4 | 175.1 | -73.5 | 169.6 | 0 | 0 | 0 | 112.5 | N336 N342 C344 | N336-L340 WeakPolarHBondContact O-CB 3.25Å; N336-L340 VanDerWaalsContact O-CG 3.27Å; N336-L340 WeakPolarHBondContact O-CG 3.46Å; N336-L340 PolarHBondContact O-N 3.44Å; L340-N342 VanDerWaalsContact C-N 3.34Å; L340-C344 WeakPolarHBondContact O-CB 3.2Å; L340-C344 PolarHBondContact O-N 3.07Å |
| 341 | S | 86.7 | Confident | 84 | Confident | 49 Ų | 49 | 110.1 Ų | 110.1 | 34% | 0.343 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -68.5 | -33.8 | 176.5 | 77.1 | 0 | 0 | 0 | 0 | 112.8 | K337 M338 E339 K345 | K337-S341 WeakPolarHBondContact O-CB 3.32Å; K337-S341 PolarHBondContact O-N 3.26Å; K337-S341 VanDerWaalsContact O-N 3.08Å; M338-S341 PolarHBondContact O-N 3.33Å; M338-S341 PolarHBondContact O-OG 3.29Å; E339-S341 VanDerWaalsContact C-N 3.27Å; E339-S341 PolarHBondContact O-N 2.97Å; S341-K345 WeakPolarHBondContact O-CG 3.19Å; S341-K345 PolarHBondContact O-N 3.3Å; S341-K345 VanDerWaalsContact O-N 3.12Å |
| 342 | N | 89 | Confident | 85.3 | Confident | 75 Ų | 75 | 113.1 Ų | 113.1 | 40% | 0.401 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73 | -42.3 | 177 | -72.6 | -16.9 | 0 | 0 | 0 | 111.4 | M338 E339 L340 C344 K345 Q346 | M338-N342 PolarHBondContact O-N 2.89Å; E339-N342 PolarHBondContact O-N 3.18Å; E339-N342 VanDerWaalsContact O-N 3.09Å; L340-N342 VanDerWaalsContact C-N 3.34Å; N342-C344 VanDerWaalsContact C-N 3.35Å; N342-C344 PolarHBondContact O-N 3.4Å; N342-K345 PolarHBondContact O-N 2.94Å; N342-Q346 PolarHBondContact O-N 3.26Å |
| 343 | I | 89.2 | Confident | 86.5 | Confident | 87 Ų | 87 | 117.4 Ų | 117.4 | 45% | 0.446 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -58.5 | -48.3 | 173.9 | -66.1 | 165.2 | 0 | 0 | 0 | 109.9 | E339 K345 Q346 D347 | E339-I343 WeakPolarHBondContact O-CG1 3.35Å; E339-I343 PolarHBondContact O-N 3.25Å; I343-K345 VanDerWaalsContact C-N 3.3Å; I343-K345 PolarHBondContact O-N 2.98Å; I343-Q346 PolarHBondContact O-N 3.04Å; I343-Q346 VanDerWaalsContact O-N 3.13Å; I343-D347 PolarHBondContact O-N 3.32Å |
| 344 | C | 87.9 | Confident | 87.2 | Confident | 86 Ų | 86 | 116.8 Ų | 116.8 | 58% | 0.581 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -62 | -35.4 | 178.9 | -173.8 | 0 | 0 | 0 | 0 | 113 | L340 N342 R348 | L340-C344 WeakPolarHBondContact O-CB 3.2Å; L340-C344 PolarHBondContact O-N 3.07Å; N342-C344 VanDerWaalsContact C-N 3.35Å; N342-C344 PolarHBondContact O-N 3.4Å; C344-R348 WeakPolarHBondContact O-CB 3.49Å; C344-R348 PolarHBondContact O-N 3.02Å |
| 345 | K | 92.3 | Very high | 88 | Confident | 136 Ų | 136 | 111.6 Ų | 111.6 | 59% | 0.591 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -67.3 | -43.3 | 173.5 | -75.8 | 175.2 | -179.3 | -177.8 | 0 | 112 | S341 N342 I343 R348 L349 | S341-K345 WeakPolarHBondContact O-CG 3.19Å; S341-K345 PolarHBondContact O-N 3.3Å; S341-K345 VanDerWaalsContact O-N 3.12Å; N342-K345 PolarHBondContact O-N 2.94Å; I343-K345 VanDerWaalsContact C-N 3.3Å; I343-K345 PolarHBondContact O-N 2.98Å; K345-R348 PolarHBondContact O-N 3.36Å; K345-L349 WeakPolarHBondContact O-CG 3.41Å; K345-L349 PolarHBondContact O-N 2.92Å; K345-L349 VanDerWaalsContact O-N 3.13Å |
| 346 | Q | 93.1 | Very high | 88.7 | Confident | 123 Ų | 123 | 107.4 Ų | 107.4 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.4 | -46.3 | 177.6 | -75.3 | -179.1 | -21 | 0 | 0 | 111.6 | N342 I343 R348 L349 I350 | N342-Q346 PolarHBondContact O-N 3.26Å; I343-Q346 PolarHBondContact O-N 3.04Å; I343-Q346 VanDerWaalsContact O-N 3.13Å; Q346-R348 VanDerWaalsContact C-N 3.25Å; Q346-R348 PolarHBondContact O-N 2.9Å; Q346-L349 PolarHBondContact O-N 3.12Å; Q346-I350 WeakPolarHBondContact O-CG1 3.3Å; Q346-I350 PolarHBondContact O-N 2.93Å |
| 347 | D | 92.1 | Very high | 89.2 | Confident | 93 Ų | 93 | 106.2 Ų | 106.2 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -57.8 | -39.3 | 176.6 | -74.9 | -9 | 0 | 0 | 0 | 111.9 | I343 S351 | I343-D347 PolarHBondContact O-N 3.32Å; D347-S351 VanDerWaalsContact O-CB 3.28Å; D347-S351 WeakPolarHBondContact O-CB 3.19Å; D347-S351 PolarHBondContact O-N 3.09Å; D347-S351 PolarHBondContact O-OG 3.42Å |
| 348 | R | 92.2 | Very high | 89.5 | Confident | 164 Ų | 164 | 106 Ų | 106 | 62% | 0.619 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.6 | -38.8 | 176.9 | -168.5 | 176.6 | -174.3 | 178.5 | 1.3 | 112.2 | C344 K345 Q346 R352 | C344-R348 WeakPolarHBondContact O-CB 3.49Å; C344-R348 PolarHBondContact O-N 3.02Å; K345-R348 PolarHBondContact O-N 3.36Å; Q346-R348 VanDerWaalsContact C-N 3.25Å; Q346-R348 PolarHBondContact O-N 2.9Å; R348-R352 WeakPolarHBondContact O-CG 3.35Å; R348-R352 PolarHBondContact O-N 2.91Å; R348-R352 VanDerWaalsContact O-N 3.09Å |
| 349 | L | 92 | Very high | 89.5 | Confident | 119 Ų | 119 | 107 Ų | 107 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -68.2 | -45.1 | 176.2 | -71 | 172.8 | 0 | 0 | 0 | 111.4 | K345 Q346 S351 R352 R353 | K345-L349 WeakPolarHBondContact O-CG 3.41Å; K345-L349 PolarHBondContact O-N 2.92Å; K345-L349 VanDerWaalsContact O-N 3.13Å; Q346-L349 PolarHBondContact O-N 3.12Å; L349-S351 PolarHBondContact O-N 3.36Å; L349-R352 PolarHBondContact O-N 3.19Å; L349-R353 PolarHBondContact O-N 3.28Å |
| 350 | I | 92.4 | Very high | 89.5 | Confident | 97 Ų | 97 | 111.6 Ų | 111.6 | 50% | 0.497 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 177 | -65.6 | 166 | 0 | 0 | 0 | 110.3 | Q346 R352 R353 L354 | Q346-I350 WeakPolarHBondContact O-CG1 3.3Å; Q346-I350 PolarHBondContact O-N 2.93Å; I350-R352 VanDerWaalsContact C-N 3.34Å; I350-R352 PolarHBondContact O-N 3.42Å; I350-R353 PolarHBondContact O-N 3.38Å; I350-L354 HydrophobicContact CG2-CD1 3.98Å; I350-L354 HydrophobicContact CG2-CG 4.36Å; I350-L354 WeakPolarHBondContact O-CG 3.44Å; I350-L354 PolarHBondContact O-N 2.96Å |
| 351 | S | 92 | Very high | 88.9 | Confident | 74 Ų | 74 | 109.3 Ų | 109.3 | 52% | 0.517 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.6 | -39.3 | 178 | -59.6 | 0 | 0 | 0 | 0 | 112.5 | D347 L349 L355 | D347-S351 VanDerWaalsContact O-CB 3.28Å; D347-S351 WeakPolarHBondContact O-CB 3.19Å; D347-S351 PolarHBondContact O-N 3.09Å; D347-S351 PolarHBondContact O-OG 3.42Å; L349-S351 PolarHBondContact O-N 3.36Å; S351-L355 WeakPolarHBondContact O-CB 3.39Å; S351-L355 PolarHBondContact O-N 2.94Å |
| 352 | R | 91.3 | Very high | 87.3 | Confident | 157 Ų | 157 | 115.2 Ų | 115.2 | 59% | 0.592 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65.5 | -42.4 | 174.1 | -80.5 | -177.6 | 171.7 | -161 | -4.3 | 111.7 | R348 L349 I350 L355 V356 | R348-R352 WeakPolarHBondContact O-CG 3.35Å; R348-R352 PolarHBondContact O-N 2.91Å; R348-R352 VanDerWaalsContact O-N 3.09Å; L349-R352 PolarHBondContact O-N 3.19Å; I350-R352 VanDerWaalsContact C-N 3.34Å; I350-R352 PolarHBondContact O-N 3.42Å; R352-L355 PolarHBondContact O-N 2.85Å; R352-V356 WeakPolarHBondContact O-CG2 3.34Å; R352-V356 PolarHBondContact O-N 3.04Å |
| 353 | R | 91.2 | Very high | 87.3 | Confident | 180 Ų | 180 | 117.2 Ų | 117.2 | 68% | 0.679 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -62.1 | -49.4 | 176.8 | -173.1 | 175 | 179.9 | 175.4 | 2.4 | 111.2 | L349 I350 L355 V356 D357 | L349-R353 PolarHBondContact O-N 3.28Å; I350-R353 PolarHBondContact O-N 3.38Å; R353-L355 PolarHBondContact O-N 2.77Å; R353-V356 PolarHBondContact O-N 3.26Å; R353-D357 WeakPolarHBondContact CG-OD2 3.43Å; R353-D357 IonicContact NE-OD2 3.98Å; R353-D357 WeakPolarHBondContact O-CB 3.49Å; R353-D357 VanDerWaalsContact O-CG 3.24Å; R353-D357 PolarHBondContact O-N 2.73Å |
| 354 | L | 90.6 | Very high | 87.2 | Confident | 95 Ų | 95 | 118.8 Ų | 118.8 | 50% | 0.497 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -58.6 | -34.1 | 175.6 | -73.4 | 172.1 | 0 | 0 | 0 | 113 | I350 K358 | I350-L354 HydrophobicContact CG2-CD1 3.98Å; I350-L354 HydrophobicContact CG2-CG 4.36Å; I350-L354 WeakPolarHBondContact O-CG 3.44Å; I350-L354 PolarHBondContact O-N 2.96Å; L354-K358 WeakPolarHBondContact O-CB 3.17Å; L354-K358 VanDerWaalsContact O-CG 3.24Å; L354-K358 WeakPolarHBondContact O-CG 3.28Å; L354-K358 PolarHBondContact O-N 2.96Å |
| 355 | L | 90.8 | Very high | 87.1 | Confident | 107 Ų | 107 | 120.6 Ų | 120.6 | 56% | 0.56 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -70.6 | -40.3 | 175.5 | -172.8 | 65.2 | 0 | 0 | 0 | 111.9 | S351 R352 R353 N359 | S351-L355 WeakPolarHBondContact O-CB 3.39Å; S351-L355 PolarHBondContact O-N 2.94Å; R352-L355 PolarHBondContact O-N 2.85Å; R353-L355 PolarHBondContact O-N 2.77Å; L355-N359 PolarHBondContact O-N 2.68Å; L355-N359 VanDerWaalsContact O-N 3.11Å; L355-N359 PolarHBondContact O-ND2 3.33Å |
| 356 | V | 89.6 | Confident | 86.8 | Confident | 65 Ų | 65 | 119.7 Ų | 119.7 | 39% | 0.394 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -67 | -42.8 | 175.2 | 172.4 | 0 | 0 | 0 | 0 | 111.1 | R352 R353 N359 R360 | R352-V356 WeakPolarHBondContact O-CG2 3.34Å; R352-V356 PolarHBondContact O-N 3.04Å; R353-V356 PolarHBondContact O-N 3.26Å; V356-N359 PolarHBondContact O-N 3.49Å; V356-R360 HydrophobicContact CG1-CG 4.49Å; V356-R360 WeakPolarHBondContact O-CG 3.35Å; V356-R360 PolarHBondContact O-N 2.82Å |
| 357 | D | 88.5 | Confident | 86.4 | Confident | 41 Ų | 41 | 119.5 Ų | 119.5 | 22% | 0.219 | 59% | 0.589 | C | S | . | * | H | α-helix | trans | -63.4 | -44.4 | 179.1 | -66.1 | -17.7 | 0 | 0 | 0 | 110.5 | R353 N359 R360 G361 L362 | R353-D357 WeakPolarHBondContact CG-OD2 3.43Å; R353-D357 IonicContact NE-OD2 3.98Å; R353-D357 WeakPolarHBondContact O-CB 3.49Å; R353-D357 VanDerWaalsContact O-CG 3.24Å; R353-D357 PolarHBondContact O-N 2.73Å; D357-N359 VanDerWaalsContact C-N 3.31Å; D357-N359 PolarHBondContact O-N 2.99Å; D357-R360 CarbonylContact O-C 3.55Å; D357-R360 WeakPolarHBondContact O-CA 3.42Å; D357-R360 PolarHBondContact O-N 3.06Å; D357-G361 PolarHBondContact O-N 2.89Å; D357-G361 VanDerWaalsContact O-N 3.08Å; D357-L362 HydrophobicContact CB-CB 4.1Å; D357-L362 PolarHBondContact O-N 2.86Å |
| 358 | K | 86.6 | Confident | 86 | Confident | 157 Ų | 157 | 121.3 Ų | 121.3 | 68% | 0.683 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -58 | -39.9 | 171.8 | -78.4 | 179.2 | -179.8 | -172.1 | 0 | 113.4 | L354 R360 G361 | L354-K358 WeakPolarHBondContact O-CB 3.17Å; L354-K358 VanDerWaalsContact O-CG 3.24Å; L354-K358 WeakPolarHBondContact O-CG 3.28Å; L354-K358 PolarHBondContact O-N 2.96Å; K358-R360 VanDerWaalsContact C-N 3.27Å; K358-R360 PolarHBondContact O-N 3.45Å; K358-G361 PolarHBondContact O-N 3.05Å |
| 359 | N | 83.8 | Confident | 85.6 | Confident | 130 Ų | 130 | 118.2 Ų | 118.2 | 70% | 0.695 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -73.2 | -20.3 | 177.7 | -68.5 | -14.9 | 0 | 0 | 0 | 112.7 | L355 V356 D357 | L355-N359 PolarHBondContact O-N 2.68Å; L355-N359 VanDerWaalsContact O-N 3.11Å; L355-N359 PolarHBondContact O-ND2 3.33Å; V356-N359 PolarHBondContact O-N 3.49Å; D357-N359 VanDerWaalsContact C-N 3.31Å; D357-N359 PolarHBondContact O-N 2.99Å |
| 360 | R | 83.3 | Confident | 85.1 | Confident | 190 Ų | 190 | 118.2 Ų | 118.2 | 72% | 0.717 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -90.1 | -4.8 | 174.2 | -71.7 | 177.6 | 175.9 | -169.3 | -3.3 | 113.2 | V356 D357 K358 L362 | V356-R360 HydrophobicContact CG1-CG 4.49Å; V356-R360 WeakPolarHBondContact O-CG 3.35Å; V356-R360 PolarHBondContact O-N 2.82Å; D357-R360 CarbonylContact O-C 3.55Å; D357-R360 WeakPolarHBondContact O-CA 3.42Å; D357-R360 PolarHBondContact O-N 3.06Å; K358-R360 VanDerWaalsContact C-N 3.27Å; K358-R360 PolarHBondContact O-N 3.45Å; R360-L362 HydrophobicContact CB-CD1 4.46Å; R360-L362 HydrophobicContact CB-CG 4.47Å |
| 361 | G | 71.3 | Confident | 84.5 | Confident | 71 Ų | 71 | 119.9 Ų | 119.9 | 73% | 0.732 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.1 | 25.7 | -175.7 | 0 | 0 | 0 | 0 | 0 | 114 | D357 K358 | D357-G361 PolarHBondContact O-N 2.89Å; D357-G361 VanDerWaalsContact O-N 3.08Å; K358-G361 PolarHBondContact O-N 3.05Å |
| 362 | L | 54.9 | Low | 83.8 | Confident | 172 Ų | 172 | 124.1 Ų | 124.1 | 90% | 0.901 | 61% | 0.606 | S | S | * | * | trans | -94.5 | 0 | 174 | -71 | 172.2 | 0 | 0 | 0 | 112.7 | D357 R360 | D357-L362 HydrophobicContact CB-CB 4.1Å; D357-L362 PolarHBondContact O-N 2.86Å; R360-L362 HydrophobicContact CB-CD1 4.46Å; R360-L362 HydrophobicContact CB-CG 4.47Å |
Retrieved 362 of 362 residues in 186.4 ms
(Link to these results)