| 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 | 59.3 | Low | 86.9 | Confident | 241 Ų | 241 | 104.8 Ų | 104.8 | 100% | 1.187 | 52% | 0.519 | S | S | * | . | 0 | 113.5 | 0 | -173.3 | 165.2 | -177.4 | 0 | 0 | 105.5 | |||||
| 2 | E | 64.2 | Low | 87.5 | Confident | 194 Ų | 194 | 108 Ų | 108 | 91% | 0.907 | 53% | 0.527 | S | S | * | . | P | Polyproline II helix | trans | -75.5 | 131.5 | -179.9 | -57.7 | -122.3 | 122.6 | 0 | 0 | 108.3 | ||
| 3 | A | 75.8 | Confident | 88 | Confident | 69 Ų | 69 | 109.2 Ų | 109.2 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 119.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 109.1 | F5 | A3-F5 HydrophobicContact CB-CE2 4Å; A3-F5 HydrophobicContact CB-CZ 4.16Å; A3-F5 VanDerWaalsContact O-CD2 3.22Å; A3-F5 WeakPolarHBondContact O-CD2 3.33Å; A3-F5 WeakPolarHBondContact O-CE2 3.38Å |
| 4 | D | 92.6 | Very high | 88.5 | Confident | 114 Ų | 114 | 109.8 Ų | 109.8 | 61% | 0.61 | 53% | 0.53 | S | S | * | . | P | Polyproline II helix | trans | -82.3 | 142.9 | 176.2 | -167.7 | -104.7 | 0 | 0 | 0 | 110.1 | A16 S17 | D4-A16 CarbonylContact O-C 3.6Å; D4-A16 WeakPolarHBondContact O-CA 3.21Å; D4-S17 WeakPolarHBondContact O-CB 3.26Å; D4-S17 PolarHBondContact O-N 2.71Å; D4-S17 PolarHBondContact O-OG 3.47Å; D4-S17 WeakPolarHBondContact OD1-CB 3.49Å; D4-S17 PolarHBondContact OD1-OG 3.16Å |
| 5 | F | 95.1 | Very high | 88.8 | Confident | 121 Ų | 121 | 103.6 Ų | 103.6 | 53% | 0.531 | 50% | 0.502 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.8 | 145.6 | -176.7 | -64.8 | -90.8 | 0 | 0 | 0 | 111.6 | A3 V15 A16 | A3-F5 HydrophobicContact CB-CE2 4Å; A3-F5 HydrophobicContact CB-CZ 4.16Å; A3-F5 VanDerWaalsContact O-CD2 3.22Å; A3-F5 WeakPolarHBondContact O-CD2 3.33Å; A3-F5 WeakPolarHBondContact O-CE2 3.38Å; F5-V15 CarbonylContact C-O 3.23Å; F5-V15 WeakPolarHBondContact CA-O 3.17Å; F5-A16 HydrophobicContact CD1-CB 4.37Å; F5-A16 HydrophobicContact CE1-CB 4.3Å |
| 6 | Q | 95.5 | Very high | 89.2 | Confident | 80 Ų | 80 | 99 Ų | 99 | 37% | 0.374 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.7 | 145 | 174.6 | -75.9 | 172.7 | 54.8 | 0 | 0 | 110.7 | V15 S17 F20 | Q6-V15 PolarHBondContact N-O 3.42Å; Q6-V15 PolarHBondContact O-N 3.22Å; Q6-S17 WeakPolarHBondContact CG-OG 3.38Å; Q6-S17 PolarHBondContact NE2-OG 3.17Å; Q6-F20 HydrophobicContact CB-CD2 3.37Å; Q6-F20 HydrophobicContact CB-CE2 3.6Å; Q6-F20 HydrophobicContact CB-CG 3.91Å; Q6-F20 HydrophobicContact CB-CZ 4.3Å; Q6-F20 HydrophobicContact CG-CD2 4.49Å |
| 7 | V | 95.9 | Very high | 89.6 | Confident | 82 Ų | 82 | 94.9 Ų | 94.9 | 50% | 0.497 | 47% | 0.47 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.3 | 122.4 | 178.1 | -179.4 | 0 | 0 | 0 | 0 | 109.8 | R9 R13 N14 | V7-R9 PolarHBondContact O-N 3.47Å; V7-R13 WeakPolarHBondContact CA-O 3.41Å; V7-N14 VanDerWaalsContact CG2-OD1 3.25Å; V7-N14 WeakPolarHBondContact CG2-OD1 3.34Å |
| 8 | C | 95.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 98.3 Ų | 98.3 | 1% | 0.007 | 49% | 0.489 | C | S | . | . | trans | -68.8 | 130.1 | 175.2 | 177.9 | 0 | 0 | 0 | 0 | 110.6 | N10 K12 R13 F20 H23 | C8-N10 VanDerWaalsContact C-N 3.31Å; C8-N10 PolarHBondContact O-N 3Å; C8-K12 WeakPolarHBondContact O-CA 3.42Å; C8-K12 PolarHBondContact O-N 2.76Å; C8-R13 PolarHBondContact N-O 3.05Å; C8-F20 HydrophobicContact CB-CE2 4.29Å; C8-H23 WeakPolarHBondContact CB-NE2 2.96Å; C8-H23 PolarHBondContact SG-NE2 3.06Å; C8-H23 VanDerWaalsContact SG-NE2 3.36Å | ||
| 9 | R | 94.9 | Very high | 89.9 | Confident | 206 Ų | 206 | 99.1 Ų | 99.1 | 78% | 0.777 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.3 | -25.7 | -178.7 | -65 | -178.6 | -178.3 | -173 | 1.7 | 113.4 | V7 K12 | V7-R9 PolarHBondContact O-N 3.47Å; R9-K12 WeakPolarHBondContact O-CE 3.1Å; R9-K12 PolarHBondContact O-NZ 3.36Å |
| 10 | N | 93.9 | Very high | 90.1 | Very high | 40 Ų | 40 | 95.2 Ų | 95.2 | 21% | 0.214 | 47% | 0.471 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -69.5 | 179 | -171.4 | 36.5 | 0 | 0 | 0 | 110.8 | C8 K12 C27 L28 I31 | C8-N10 VanDerWaalsContact C-N 3.31Å; C8-N10 PolarHBondContact O-N 3Å; N10-K12 PolarHBondContact O-N 3.43Å; N10-C27 PolarHBondContact ND2-O 3.48Å; N10-C27 PolarHBondContact ND2-SG 2.83Å; N10-C27 VanDerWaalsContact ND2-SG 3.36Å; N10-L28 HydrophobicContact CB-CD2 4.02Å; N10-I31 PolarHBondContact ND2-O 3.45Å |
| 11 | C | 93.6 | Very high | 90.3 | Very high | 5 Ų | 5 | 97.6 Ų | 97.6 | 3% | 0.034 | 48% | 0.483 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.6 | 1.2 | -175.5 | 72.3 | 0 | 0 | 0 | 0 | 115.9 | R13 H23 C27 I31 P40 | C11-R13 PolarHBondContact O-N 3.31Å; C11-R13 PolarHBondContact SG-NE 2.92Å; C11-H23 VanDerWaalsContact SG-CE1 3.59Å; C11-H23 PolarHBondContact SG-NE2 2.95Å; C11-C27 WeakPolarHBondContact CB-SG 3.49Å; C11-I31 HydrophobicContact CB-CG2 4.36Å; C11-P40 HydrophobicContact CB-CB 3.48Å; C11-P40 VanDerWaalsContact CB-CB 3.48Å; C11-P40 HydrophobicContact CB-CG 4.02Å |
| 12 | K | 93.8 | Very high | 92 | Very high | 143 Ų | 143 | 92.5 Ų | 92.5 | 62% | 0.622 | 46% | 0.459 | S | S | * | . | trans | 59.8 | 14.3 | 177.9 | -46.3 | -55.7 | -176.2 | -173.5 | 0 | 115.9 | C8 R9 N10 | C8-K12 WeakPolarHBondContact O-CA 3.42Å; C8-K12 PolarHBondContact O-N 2.76Å; R9-K12 WeakPolarHBondContact O-CE 3.1Å; R9-K12 PolarHBondContact O-NZ 3.36Å; N10-K12 PolarHBondContact O-N 3.43Å | ||
| 13 | R | 93.4 | Very high | 93.5 | Very high | 124 Ų | 124 | 85.2 Ų | 85.2 | 47% | 0.468 | 43% | 0.425 | S | S | . | . | trans | -87.5 | 148.6 | 177.9 | -71.5 | -174.9 | -79.5 | -175.1 | -9.6 | 112.5 | V7 C8 C11 | V7-R13 WeakPolarHBondContact CA-O 3.41Å; C8-R13 PolarHBondContact N-O 3.05Å; C11-R13 PolarHBondContact O-N 3.31Å; C11-R13 PolarHBondContact SG-NE 2.92Å | ||
| 14 | N | 95.2 | Very high | 94.4 | Very high | 117 Ų | 117 | 84.6 Ų | 84.6 | 63% | 0.626 | 41% | 0.411 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.5 | 130.1 | 167 | -71.1 | -64.3 | 0 | 0 | 0 | 109.7 | V7 | V7-N14 VanDerWaalsContact CG2-OD1 3.25Å; V7-N14 WeakPolarHBondContact CG2-OD1 3.34Å |
| 15 | V | 93.7 | Very high | 94.5 | Very high | 17 Ų | 17 | 82.2 Ų | 82.2 | 10% | 0.103 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.6 | 135.9 | -178.5 | -178.6 | 0 | 0 | 0 | 0 | 107.7 | F5 Q6 S17 H19 F20 H23 | F5-V15 CarbonylContact C-O 3.23Å; F5-V15 WeakPolarHBondContact CA-O 3.17Å; Q6-V15 PolarHBondContact N-O 3.42Å; Q6-V15 PolarHBondContact O-N 3.22Å; V15-S17 PolarHBondContact O-N 3.3Å; V15-H19 HydrophobicContact CG1-CB 4.49Å; V15-F20 HydrophobicContact CB-CD2 4.12Å; V15-H23 HydrophobicContact CG1-CB 3.72Å; V15-H23 HydrophobicContact CG2-CB 4.31Å |
| 16 | A | 95.4 | Very high | 94.5 | Very high | 30 Ų | 30 | 81.2 Ų | 81.2 | 25% | 0.248 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -55.5 | 132.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 110.1 | D4 F5 L18 H19 F20 | D4-A16 CarbonylContact O-C 3.6Å; D4-A16 WeakPolarHBondContact O-CA 3.21Å; F5-A16 HydrophobicContact CD1-CB 4.37Å; F5-A16 HydrophobicContact CE1-CB 4.3Å; A16-L18 PolarHBondContact O-N 2.91Å; A16-L18 VanDerWaalsContact O-N 3.07Å; A16-H19 CarbonylContact O-C 3.59Å; A16-H19 PolarHBondContact O-N 3.36Å; A16-F20 PolarHBondContact O-N 3.35Å; A16-F20 VanDerWaalsContact O-N 3.12Å |
| 17 | S | 94.9 | Very high | 94.4 | Very high | 30 Ų | 30 | 77.4 Ų | 77.4 | 21% | 0.21 | 39% | 0.386 | C | S | . | . | G | 310 helix | trans | -53.5 | -34.1 | -176.7 | -72.6 | 0 | 0 | 0 | 0 | 112.3 | D4 Q6 V15 H19 F20 | D4-S17 WeakPolarHBondContact O-CB 3.26Å; D4-S17 PolarHBondContact O-N 2.71Å; D4-S17 PolarHBondContact O-OG 3.47Å; D4-S17 WeakPolarHBondContact OD1-CB 3.49Å; D4-S17 PolarHBondContact OD1-OG 3.16Å; Q6-S17 WeakPolarHBondContact CG-OG 3.38Å; Q6-S17 PolarHBondContact NE2-OG 3.17Å; V15-S17 PolarHBondContact O-N 3.3Å; S17-H19 VanDerWaalsContact C-N 3.27Å; S17-H19 PolarHBondContact O-N 3.07Å; S17-F20 PolarHBondContact O-N 2.97Å |
| 18 | L | 93.4 | Very high | 94.3 | Very high | 155 Ų | 155 | 79 Ų | 79 | 81% | 0.812 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -60 | -33.8 | 175.6 | -176.1 | 62.5 | 0 | 0 | 0 | 113.3 | A16 | A16-L18 PolarHBondContact O-N 2.91Å; A16-L18 VanDerWaalsContact O-N 3.07Å |
| 19 | H | 91.1 | Very high | 94.3 | Very high | 114 Ų | 114 | 87.7 Ų | 87.7 | 53% | 0.528 | 42% | 0.423 | S | S | . | . | G | 310 helix | trans | -106.8 | 3.9 | -176.2 | -57.8 | 158.4 | 0 | 0 | 0 | 113 | V15 A16 S17 M21 L22 H23 | V15-H19 HydrophobicContact CG1-CB 4.49Å; A16-H19 CarbonylContact O-C 3.59Å; A16-H19 PolarHBondContact O-N 3.36Å; S17-H19 VanDerWaalsContact C-N 3.27Å; S17-H19 PolarHBondContact O-N 3.07Å; H19-M21 PolarHBondContact O-N 3.33Å; H19-L22 PolarHBondContact O-N 2.84Å; H19-H23 WeakPolarHBondContact O-CB 3.4Å; H19-H23 PolarHBondContact O-N 3.02Å |
| 20 | F | 94.7 | Very high | 94.2 | Very high | 21 Ų | 21 | 82.5 Ų | 82.5 | 9% | 0.092 | 41% | 0.406 | C | S | . | . | H | α-helix | trans | -61.1 | -46.4 | -171.2 | -172.7 | -98.3 | 0 | 0 | 0 | 112.8 | Q6 C8 V15 A16 S17 L22 H23 E24 | Q6-F20 HydrophobicContact CB-CD2 3.37Å; Q6-F20 HydrophobicContact CB-CE2 3.6Å; Q6-F20 HydrophobicContact CB-CG 3.91Å; Q6-F20 HydrophobicContact CB-CZ 4.3Å; Q6-F20 HydrophobicContact CG-CD2 4.49Å; C8-F20 HydrophobicContact CB-CE2 4.29Å; V15-F20 HydrophobicContact CB-CD2 4.12Å; A16-F20 PolarHBondContact O-N 3.35Å; A16-F20 VanDerWaalsContact O-N 3.12Å; S17-F20 PolarHBondContact O-N 2.97Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 3.29Å; F20-H23 PolarHBondContact O-N 3.49Å; F20-E24 HydrophobicContact CE1-CB 4.41Å; F20-E24 WeakPolarHBondContact O-CB 2.93Å; F20-E24 PolarHBondContact O-N 3.24Å |
| 21 | M | 94.6 | Very high | 94.3 | Very high | 146 Ų | 146 | 81.4 Ų | 81.4 | 72% | 0.719 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -59.7 | -43.3 | 179.9 | -72 | -66.5 | -63.8 | 0 | 0 | 112.7 | H19 E24 A25 | H19-M21 PolarHBondContact O-N 3.33Å; M21-E24 PolarHBondContact O-N 3.39Å; M21-A25 PolarHBondContact O-N 3.31Å; M21-A25 VanDerWaalsContact O-N 3.16Å |
| 22 | L | 94.6 | Very high | 94.3 | Very high | 134 Ų | 134 | 83.5 Ų | 83.5 | 70% | 0.702 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.6 | -44.9 | 177.9 | 178.2 | 63.5 | 0 | 0 | 0 | 110.7 | H19 F20 H26 | H19-L22 PolarHBondContact O-N 2.84Å; F20-L22 VanDerWaalsContact C-N 3.35Å; F20-L22 PolarHBondContact O-N 3.29Å; L22-H26 WeakPolarHBondContact O-CB 3.49Å; L22-H26 PolarHBondContact O-N 3.43Å; L22-H26 VanDerWaalsContact O-N 3.09Å |
| 23 | H | 95.9 | Very high | 94.3 | Very high | 40 Ų | 40 | 80 Ų | 80 | 19% | 0.185 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -60.2 | -45.9 | 175.5 | 173.9 | 95.2 | 0 | 0 | 0 | 111.6 | C8 C11 V15 H19 F20 A25 H26 C27 | C8-H23 WeakPolarHBondContact CB-NE2 2.96Å; C8-H23 PolarHBondContact SG-NE2 3.06Å; C8-H23 VanDerWaalsContact SG-NE2 3.36Å; C11-H23 VanDerWaalsContact SG-CE1 3.59Å; C11-H23 PolarHBondContact SG-NE2 2.95Å; V15-H23 HydrophobicContact CG1-CB 3.72Å; V15-H23 HydrophobicContact CG2-CB 4.31Å; H19-H23 WeakPolarHBondContact O-CB 3.4Å; H19-H23 PolarHBondContact O-N 3.02Å; F20-H23 PolarHBondContact O-N 3.49Å; H23-A25 PolarHBondContact O-N 2.86Å; H23-H26 PolarHBondContact O-N 3.42Å; H23-C27 WeakPolarHBondContact O-CA 3.35Å; H23-C27 WeakPolarHBondContact O-CB 3.45Å; H23-C27 PolarHBondContact O-N 3.24Å |
| 24 | E | 95.1 | Very high | 94.4 | Very high | 57 Ų | 57 | 74.2 Ų | 74.2 | 27% | 0.266 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.5 | -46.9 | -176.9 | -175.9 | 170.2 | -136.8 | 0 | 0 | 111 | F20 M21 H26 C27 L28 | F20-E24 HydrophobicContact CE1-CB 4.41Å; F20-E24 WeakPolarHBondContact O-CB 2.93Å; F20-E24 PolarHBondContact O-N 3.24Å; M21-E24 PolarHBondContact O-N 3.39Å; E24-H26 PolarHBondContact O-N 3.47Å; E24-C27 PolarHBondContact O-N 3.05Å; E24-L28 HydrophobicContact CG-CD1 3.82Å; E24-L28 HydrophobicContact CG-CG 4.37Å; E24-L28 WeakPolarHBondContact O-CB 3.45Å; E24-L28 VanDerWaalsContact O-CG 3.29Å; E24-L28 WeakPolarHBondContact O-CG 3.48Å; E24-L28 PolarHBondContact O-N 3.16Å |
| 25 | A | 94.9 | Very high | 94.2 | Very high | 63 Ų | 63 | 73.8 Ų | 73.8 | 52% | 0.521 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -60.2 | -44.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | M21 H23 R29 | M21-A25 PolarHBondContact O-N 3.31Å; M21-A25 VanDerWaalsContact O-N 3.16Å; H23-A25 PolarHBondContact O-N 2.86Å; A25-R29 WeakPolarHBondContact O-CB 3.47Å; A25-R29 PolarHBondContact O-N 2.75Å |
| 26 | H | 94.2 | Very high | 94.2 | Very high | 101 Ų | 101 | 79 Ų | 79 | 47% | 0.468 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -66.6 | -45.9 | 177.1 | -179.8 | -78.3 | 0 | 0 | 0 | 111.6 | L22 H23 E24 R29 F30 | L22-H26 WeakPolarHBondContact O-CB 3.49Å; L22-H26 PolarHBondContact O-N 3.43Å; L22-H26 VanDerWaalsContact O-N 3.09Å; H23-H26 PolarHBondContact O-N 3.42Å; E24-H26 PolarHBondContact O-N 3.47Å; H26-R29 PolarHBondContact O-N 3.41Å; H26-F30 AromaticContact CD2-CD2 3.64Å; H26-F30 AromaticContact CG-CD2 3.98Å; H26-F30 AromaticContact NE2-CD2 3.77Å; H26-F30 WeakPolarHBondContact O-CD2 3.25Å; H26-F30 PolarHBondContact O-N 2.97Å |
| 27 | C | 93.8 | Very high | 94 | Very high | 0 Ų | 0 | 80.2 Ų | 80.2 | 0% | 0 | 41% | 0.412 | C | S | . | . | H | α-helix | trans | -64.1 | -45.9 | -175.2 | -174.1 | 0 | 0 | 0 | 0 | 111 | N10 C11 H23 E24 R29 I31 | N10-C27 PolarHBondContact ND2-O 3.48Å; N10-C27 PolarHBondContact ND2-SG 2.83Å; N10-C27 VanDerWaalsContact ND2-SG 3.36Å; C11-C27 WeakPolarHBondContact CB-SG 3.49Å; H23-C27 WeakPolarHBondContact O-CA 3.35Å; H23-C27 WeakPolarHBondContact O-CB 3.45Å; H23-C27 PolarHBondContact O-N 3.24Å; E24-C27 PolarHBondContact O-N 3.05Å; C27-R29 VanDerWaalsContact C-N 3.25Å; C27-R29 PolarHBondContact O-N 2.94Å; C27-I31 WeakPolarHBondContact O-CA 3.33Å; C27-I31 VanDerWaalsContact O-CB 3.3Å; C27-I31 WeakPolarHBondContact O-CB 3.15Å; C27-I31 PolarHBondContact O-N 2.88Å |
| 28 | L | 94 | Very high | 93.9 | Very high | 114 Ų | 114 | 86 Ų | 86 | 60% | 0.597 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.3 | -30.8 | 178.1 | -72.6 | 171 | 0 | 0 | 0 | 113.1 | N10 E24 | N10-L28 HydrophobicContact CB-CD2 4.02Å; E24-L28 HydrophobicContact CG-CD1 3.82Å; E24-L28 HydrophobicContact CG-CG 4.37Å; E24-L28 WeakPolarHBondContact O-CB 3.45Å; E24-L28 VanDerWaalsContact O-CG 3.29Å; E24-L28 WeakPolarHBondContact O-CG 3.48Å; E24-L28 PolarHBondContact O-N 3.16Å |
| 29 | R | 94.8 | Very high | 93.8 | Very high | 185 Ų | 185 | 83.2 Ų | 83.2 | 70% | 0.698 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -87.5 | -32.5 | -174.7 | -171.9 | 169.3 | -177.7 | 154.1 | 2.5 | 113.7 | A25 H26 C27 | A25-R29 WeakPolarHBondContact O-CB 3.47Å; A25-R29 PolarHBondContact O-N 2.75Å; H26-R29 PolarHBondContact O-N 3.41Å; C27-R29 VanDerWaalsContact C-N 3.25Å; C27-R29 PolarHBondContact O-N 2.94Å |
| 30 | F | 92.6 | Very high | 93.9 | Very high | 97 Ų | 97 | 79.5 Ų | 79.5 | 43% | 0.425 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -124.8 | -12.6 | -166.9 | -58.4 | -65.5 | 0 | 0 | 0 | 114.3 | H26 P42 E43 | H26-F30 AromaticContact CD2-CD2 3.64Å; H26-F30 AromaticContact CG-CD2 3.98Å; H26-F30 AromaticContact NE2-CD2 3.77Å; H26-F30 WeakPolarHBondContact O-CD2 3.25Å; H26-F30 PolarHBondContact O-N 2.97Å; F30-P42 CarbonylContact O-C 3.57Å; F30-P42 VanDerWaalsContact O-CA 3.26Å; F30-P42 WeakPolarHBondContact O-CA 3.4Å; F30-E43 PolarHBondContact O-N 3.38Å |
| 31 | I | 95.4 | Very high | 93.9 | Very high | 16 Ų | 16 | 79.1 Ų | 79.1 | 8% | 0.082 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.1 | 124.3 | -177 | -50.7 | -61.1 | 0 | 0 | 0 | 109.3 | N10 C11 C27 P40 I41 P42 | N10-I31 PolarHBondContact ND2-O 3.45Å; C11-I31 HydrophobicContact CB-CG2 4.36Å; C27-I31 WeakPolarHBondContact O-CA 3.33Å; C27-I31 VanDerWaalsContact O-CB 3.3Å; C27-I31 WeakPolarHBondContact O-CB 3.15Å; C27-I31 PolarHBondContact O-N 2.88Å; I31-P40 HydrophobicContact CG2-CB 3.61Å; I31-I41 WeakPolarHBondContact CA-O 3.46Å; I31-P42 HydrophobicContact CD1-CB 4.24Å; I31-P42 HydrophobicContact CD1-CG 3.95Å |
| 32 | V | 94.3 | Very high | 93.9 | Very high | 50 Ų | 50 | 74.5 Ų | 74.5 | 30% | 0.303 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 148.4 | 175.6 | -67.8 | 0 | 0 | 0 | 0 | 109.2 | I41 E43 M46 | V32-I41 WeakPolarHBondContact CG2-O 3.25Å; V32-I41 PolarHBondContact N-O 3.03Å; V32-I41 PolarHBondContact O-N 2.81Å; V32-E43 HydrophobicContact CG1-CB 4.35Å; V32-E43 HydrophobicContact CG1-CG 4.48Å; V32-E43 HydrophobicContact CG2-CB 4.16Å; V32-M46 HydrophobicContact CG2-CE 3.55Å |
| 33 | L | 94.6 | Very high | 93.8 | Very high | 69 Ų | 69 | 74.1 Ų | 74.1 | 36% | 0.361 | 38% | 0.379 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 135 | 174.9 | -58.7 | -175.6 | 0 | 0 | 0 | 109.6 | E39 P40 | L33-E39 CarbonylContact C-O 3.53Å; L33-E39 WeakPolarHBondContact CA-O 3.49Å; L33-P40 HydrophobicContact CD2-CB 3.79Å |
| 34 | C | 94 | Very high | 93.7 | Very high | 2 Ų | 2 | 77.5 Ų | 77.5 | 1% | 0.014 | 41% | 0.407 | C | S | . | . | trans | -60.7 | 133.2 | 171.9 | 171.2 | 0 | 0 | 0 | 0 | 110.2 | E36 C37 E38 E39 I41 M46 H49 M50 | C34-E36 VanDerWaalsContact C-N 3.25Å; C34-E36 PolarHBondContact O-N 3.12Å; C34-E36 PolarHBondContact SG-N 3.39Å; C34-C37 VanDerWaalsContact CB-SG 3.55Å; C34-C37 PolarHBondContact SG-N 3.21Å; C34-C37 VanDerWaalsContact SG-N 3.42Å; C34-C37 PolarHBondContact SG-SG 3.29Å; C34-E38 WeakPolarHBondContact O-CA 3.29Å; C34-E38 PolarHBondContact O-N 2.84Å; C34-E39 PolarHBondContact N-O 2.87Å; C34-I41 HydrophobicContact CB-CG1 4.32Å; C34-M46 HydrophobicContact CB-CE 4.16Å; C34-M46 HydrophobicContact CB-SD 4.39Å; C34-H49 PolarHBondContact SG-NE2 3.27Å; C34-M50 HydrophobicContact CB-CE 4.49Å; C34-M50 WeakPolarHBondContact SG-CE 3.37Å | ||
| 35 | P | 92.8 | Very high | 93.5 | Very high | 109 Ų | 109 | 80.4 Ų | 80.4 | 71% | 0.708 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -19 | 178.9 | 29.3 | -35.6 | 0 | 0 | 0 | 113.8 | ||
| 36 | E | 92.1 | Very high | 93.5 | Very high | 125 Ų | 125 | 78.9 Ų | 78.9 | 58% | 0.584 | 40% | 0.401 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -95 | -42.4 | -177.6 | -67.5 | -164.1 | -153.2 | 0 | 0 | 113.3 | C34 H54 | C34-E36 VanDerWaalsContact C-N 3.25Å; C34-E36 PolarHBondContact O-N 3.12Å; C34-E36 PolarHBondContact SG-N 3.39Å; E36-H54 WeakPolarHBondContact CB-CE1 3.3Å; E36-H54 WeakPolarHBondContact CB-ND1 3.03Å; E36-H54 WeakPolarHBondContact OE2-CB 3.49Å; E36-H54 IonicContact OE2-CE1 3.9Å; E36-H54 IonicContact OE2-CG 3.69Å; E36-H54 VanDerWaalsContact OE2-CG 3.27Å; E36-H54 IonicContact OE2-ND1 3.27Å; E36-H54 PolarHBondContact OE2-ND1 3.14Å |
| 37 | C | 92.9 | Very high | 93.5 | Very high | 56 Ų | 56 | 81.2 Ų | 81.2 | 38% | 0.378 | 41% | 0.41 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.1 | 0.3 | -177.3 | 63.3 | 0 | 0 | 0 | 0 | 114.5 | C34 E39 H49 H54 | C34-C37 VanDerWaalsContact CB-SG 3.55Å; C34-C37 PolarHBondContact SG-N 3.21Å; C34-C37 VanDerWaalsContact SG-N 3.42Å; C34-C37 PolarHBondContact SG-SG 3.29Å; C37-E39 PolarHBondContact O-N 3.19Å; C37-E39 VanDerWaalsContact SG-CB 3.54Å; C37-H49 PolarHBondContact SG-NE2 3.32Å; C37-H54 PolarHBondContact SG-NE2 2.97Å |
| 38 | E | 91.9 | Very high | 93.5 | Very high | 152 Ų | 152 | 86.8 Ų | 86.8 | 71% | 0.71 | 44% | 0.436 | S | S | * | . | trans | 58.6 | 13.9 | -177.8 | -57.5 | -177.8 | 179.7 | 0 | 0 | 114.4 | C34 | C34-E38 WeakPolarHBondContact O-CA 3.29Å; C34-E38 PolarHBondContact O-N 2.84Å | ||
| 39 | E | 91.5 | Very high | 93.5 | Very high | 97 Ų | 97 | 82.3 Ų | 82.3 | 45% | 0.453 | 41% | 0.412 | S | S | . | . | trans | -69.1 | 137 | 178.4 | -166.2 | -179.1 | 175.2 | 0 | 0 | 110.5 | L33 C34 C37 I41 H49 | L33-E39 CarbonylContact C-O 3.53Å; L33-E39 WeakPolarHBondContact CA-O 3.49Å; C34-E39 PolarHBondContact N-O 2.87Å; C37-E39 PolarHBondContact O-N 3.19Å; C37-E39 VanDerWaalsContact SG-CB 3.54Å; E39-I41 HydrophobicContact CB-CD1 3.92Å; E39-I41 HydrophobicContact CB-CG1 4.38Å; E39-I41 HydrophobicContact CG-CD1 3.67Å; E39-I41 WeakPolarHBondContact O-CG1 3.49Å; E39-I41 PolarHBondContact O-N 3.44Å; E39-H49 IonicContact OE2-CE1 2.71Å | ||
| 40 | P | 92.9 | Very high | 93.4 | Very high | 35 Ų | 35 | 75.6 Ų | 75.6 | 23% | 0.227 | 39% | 0.389 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.6 | 103.6 | 175.9 | 28.7 | -33.9 | 0 | 0 | 0 | 111.9 | C11 I31 L33 | C11-P40 HydrophobicContact CB-CB 3.48Å; C11-P40 VanDerWaalsContact CB-CB 3.48Å; C11-P40 HydrophobicContact CB-CG 4.02Å; I31-P40 HydrophobicContact CG2-CB 3.61Å; L33-P40 HydrophobicContact CD2-CB 3.79Å |
| 41 | I | 94.9 | Very high | 93.5 | Very high | 14 Ų | 14 | 75.5 Ų | 75.5 | 7% | 0.072 | 39% | 0.39 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 139.7 | -176.1 | -50.6 | -55.8 | 0 | 0 | 0 | 110.4 | I31 V32 C34 E39 E43 K45 M46 H49 | I31-I41 WeakPolarHBondContact CA-O 3.46Å; V32-I41 WeakPolarHBondContact CG2-O 3.25Å; V32-I41 PolarHBondContact N-O 3.03Å; V32-I41 PolarHBondContact O-N 2.81Å; C34-I41 HydrophobicContact CB-CG1 4.32Å; E39-I41 HydrophobicContact CB-CD1 3.92Å; E39-I41 HydrophobicContact CB-CG1 4.38Å; E39-I41 HydrophobicContact CG-CD1 3.67Å; E39-I41 WeakPolarHBondContact O-CG1 3.49Å; E39-I41 PolarHBondContact O-N 3.44Å; I41-E43 PolarHBondContact O-N 3.48Å; I41-K45 HydrophobicContact CG2-CB 4.23Å; I41-M46 HydrophobicContact CB-CE 3.74Å; I41-M46 HydrophobicContact CG1-CE 4.05Å; I41-M46 HydrophobicContact CG2-CE 4.34Å; I41-H49 HydrophobicContact CG2-CB 4.13Å |
| 42 | P | 94.6 | Very high | 93.3 | Very high | 49 Ų | 49 | 80.1 Ų | 80.1 | 32% | 0.318 | 42% | 0.419 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.3 | 132.6 | 167 | -22.8 | 33.6 | 0 | 0 | 0 | 111.1 | F30 I31 S44 K45 M46 | F30-P42 CarbonylContact O-C 3.57Å; F30-P42 VanDerWaalsContact O-CA 3.26Å; F30-P42 WeakPolarHBondContact O-CA 3.4Å; I31-P42 HydrophobicContact CD1-CB 4.24Å; I31-P42 HydrophobicContact CD1-CG 3.95Å; P42-S44 PolarHBondContact O-N 3.36Å; P42-S44 VanDerWaalsContact O-N 3.12Å; P42-K45 HydrophobicContact CB-CG 4.46Å; P42-K45 WeakPolarHBondContact O-CA 3.49Å; P42-K45 PolarHBondContact O-N 3.35Å; P42-M46 PolarHBondContact O-N 3.26Å |
| 43 | E | 92.7 | Very high | 93 | Very high | 126 Ų | 126 | 81.9 Ų | 81.9 | 59% | 0.589 | 43% | 0.43 | S | S | * | . | G | 310 helix | trans | -53.8 | -40.1 | -175.7 | -173.3 | -179.8 | -173.7 | 0 | 0 | 112.4 | F30 V32 I41 K45 M46 | F30-E43 PolarHBondContact O-N 3.38Å; V32-E43 HydrophobicContact CG1-CB 4.35Å; V32-E43 HydrophobicContact CG1-CG 4.48Å; V32-E43 HydrophobicContact CG2-CB 4.16Å; I41-E43 PolarHBondContact O-N 3.48Å; E43-K45 PolarHBondContact O-N 2.91Å; E43-K45 VanDerWaalsContact O-N 3.14Å; E43-M46 PolarHBondContact O-N 2.96Å |
| 44 | S | 92.9 | Very high | 92.9 | Very high | 111 Ų | 111 | 80.4 Ų | 80.4 | 78% | 0.776 | 42% | 0.421 | S | S | * | . | G | 310 helix | trans | -61.2 | -21.7 | 177.1 | 57.1 | 0 | 0 | 0 | 0 | 114.6 | P42 | P42-S44 PolarHBondContact O-N 3.36Å; P42-S44 VanDerWaalsContact O-N 3.12Å |
| 45 | K | 92.7 | Very high | 92.3 | Very high | 117 Ų | 117 | 86.1 Ų | 86.1 | 51% | 0.509 | 45% | 0.447 | S | S | . | . | G | 310 helix | trans | -107 | -0.5 | -178.3 | -61.9 | -168 | 177.4 | -171.8 | 0 | 113.6 | I41 P42 E43 K47 E48 H49 | I41-K45 HydrophobicContact CG2-CB 4.23Å; P42-K45 HydrophobicContact CB-CG 4.46Å; P42-K45 WeakPolarHBondContact O-CA 3.49Å; P42-K45 PolarHBondContact O-N 3.35Å; E43-K45 PolarHBondContact O-N 2.91Å; E43-K45 VanDerWaalsContact O-N 3.14Å; K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 2.98Å; K45-E48 PolarHBondContact O-N 3.5Å; K45-H49 WeakPolarHBondContact O-CB 3.38Å; K45-H49 PolarHBondContact O-N 3.03Å |
| 46 | M | 94.8 | Very high | 91.1 | Very high | 32 Ų | 32 | 89.2 Ų | 89.2 | 16% | 0.158 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -59.1 | -41.9 | -176.8 | -179 | 55.2 | 71.2 | 0 | 0 | 112.1 | V32 C34 I41 P42 E43 H49 M50 | V32-M46 HydrophobicContact CG2-CE 3.55Å; C34-M46 HydrophobicContact CB-CE 4.16Å; C34-M46 HydrophobicContact CB-SD 4.39Å; I41-M46 HydrophobicContact CB-CE 3.74Å; I41-M46 HydrophobicContact CG1-CE 4.05Å; I41-M46 HydrophobicContact CG2-CE 4.34Å; P42-M46 PolarHBondContact O-N 3.26Å; E43-M46 PolarHBondContact O-N 2.96Å; M46-H49 PolarHBondContact O-N 3.36Å; M46-M50 HydrophobicContact CG-CG 4.5Å; M46-M50 VanDerWaalsContact O-CG 3.26Å; M46-M50 WeakPolarHBondContact O-CG 3.47Å; M46-M50 PolarHBondContact O-N 3.23Å; M46-M50 HydrophobicContact SD-CE 4.16Å; M46-M50 HydrophobicContact SD-CG 4.25Å |
| 47 | K | 92.5 | Very high | 89.3 | Confident | 150 Ų | 150 | 92 Ų | 92 | 65% | 0.652 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -61.1 | -48.4 | 179 | -177.8 | -179.3 | 171.1 | -174.7 | 0 | 112.3 | K45 H49 M50 E51 | K45-K47 VanDerWaalsContact C-N 3.3Å; K45-K47 PolarHBondContact O-N 2.98Å; K47-H49 VanDerWaalsContact C-N 3.33Å; K47-H49 PolarHBondContact O-N 2.9Å; K47-M50 WeakPolarHBondContact O-CB 3.35Å; K47-M50 PolarHBondContact O-N 3.39Å; K47-E51 WeakPolarHBondContact CE-OE1 3.2Å; K47-E51 IonicContact NZ-OE1 3.57Å; K47-E51 WeakPolarHBondContact O-CG 3.26Å; K47-E51 PolarHBondContact O-N 3.27Å |
| 48 | E | 95.3 | Very high | 87.1 | Confident | 117 Ų | 117 | 98.1 Ų | 98.1 | 55% | 0.547 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61.1 | -43.7 | 177.2 | -178.4 | -173.2 | 170.8 | 0 | 0 | 111 | K45 M50 E51 V52 | K45-E48 PolarHBondContact O-N 3.5Å; E48-M50 VanDerWaalsContact C-N 3.32Å; E48-M50 PolarHBondContact O-N 2.78Å; E48-E51 PolarHBondContact O-N 3.49Å; E48-E51 VanDerWaalsContact O-N 3.16Å; E48-V52 HydrophobicContact CG-CG2 4.26Å; E48-V52 WeakPolarHBondContact O-CB 3.45Å; E48-V52 WeakPolarHBondContact O-CG2 3.39Å; E48-V52 PolarHBondContact O-N 3.16Å |
| 49 | H | 94.2 | Very high | 84.6 | Confident | 19 Ų | 19 | 95.9 Ų | 95.9 | 9% | 0.088 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -58.2 | -43.4 | 175.8 | 167.6 | 83.1 | 0 | 0 | 0 | 112 | C34 C37 E39 I41 K45 M46 K47 E51 V52 V53 H54 | C34-H49 PolarHBondContact SG-NE2 3.27Å; C37-H49 PolarHBondContact SG-NE2 3.32Å; E39-H49 IonicContact OE2-CE1 2.71Å; I41-H49 HydrophobicContact CG2-CB 4.13Å; K45-H49 WeakPolarHBondContact O-CB 3.38Å; K45-H49 PolarHBondContact O-N 3.03Å; M46-H49 PolarHBondContact O-N 3.36Å; K47-H49 VanDerWaalsContact C-N 3.33Å; K47-H49 PolarHBondContact O-N 2.9Å; H49-E51 PolarHBondContact O-N 2.88Å; H49-V52 PolarHBondContact O-N 2.96Å; H49-V53 VanDerWaalsContact O-CB 3.25Å; H49-V53 WeakPolarHBondContact O-CB 3.22Å; H49-V53 WeakPolarHBondContact O-CG2 3.49Å; H49-V53 PolarHBondContact O-N 3.34Å; H49-H54 AromaticContact CD2-CD2 3.94Å; H49-H54 AromaticContact CE1-CD2 3.98Å; H49-H54 AromaticContact CE1-NE2 3.78Å; H49-H54 AromaticContact NE2-CD2 3.42Å; H49-H54 PolarHBondContact NE2-CD2 3.36Å; H49-H54 AromaticContact NE2-NE2 3.33Å; H49-H54 PolarHBondContact NE2-NE2 3.01Å |
| 50 | M | 92.6 | Very high | 82.3 | Confident | 45 Ų | 45 | 97.3 Ų | 97.3 | 22% | 0.222 | 51% | 0.506 | C | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 174.9 | -66 | -75.7 | 93.9 | 0 | 0 | 112.4 | C34 M46 K47 E48 H54 Q55 | C34-M50 HydrophobicContact CB-CE 4.49Å; C34-M50 WeakPolarHBondContact SG-CE 3.37Å; M46-M50 HydrophobicContact CG-CG 4.5Å; M46-M50 VanDerWaalsContact O-CG 3.26Å; M46-M50 WeakPolarHBondContact O-CG 3.47Å; M46-M50 PolarHBondContact O-N 3.23Å; M46-M50 HydrophobicContact SD-CE 4.16Å; M46-M50 HydrophobicContact SD-CG 4.25Å; K47-M50 WeakPolarHBondContact O-CB 3.35Å; K47-M50 PolarHBondContact O-N 3.39Å; E48-M50 VanDerWaalsContact C-N 3.32Å; E48-M50 PolarHBondContact O-N 2.78Å; M50-H54 HydrophobicContact CE-CB 4.1Å; M50-H54 WeakPolarHBondContact CE-CD2 3.39Å; M50-H54 CarbonylContact O-C 3.59Å; M50-H54 VanDerWaalsContact O-C 3.23Å; M50-H54 WeakPolarHBondContact O-CA 3.44Å; M50-H54 WeakPolarHBondContact O-CB 3.48Å; M50-H54 PolarHBondContact O-N 3.45Å; M50-H54 HydrophobicContact SD-CB 4.47Å; M50-Q55 PolarHBondContact O-N 3.47Å |
| 51 | E | 92.9 | Very high | 80 | Confident | 94 Ų | 94 | 99.1 Ų | 99.1 | 44% | 0.439 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72 | -29.9 | -179.2 | -68.7 | 174 | 177.1 | 0 | 0 | 113.3 | K47 E48 H49 Q55 | K47-E51 WeakPolarHBondContact CE-OE1 3.2Å; K47-E51 IonicContact NZ-OE1 3.57Å; K47-E51 WeakPolarHBondContact O-CG 3.26Å; K47-E51 PolarHBondContact O-N 3.27Å; E48-E51 PolarHBondContact O-N 3.49Å; E48-E51 VanDerWaalsContact O-N 3.16Å; H49-E51 PolarHBondContact O-N 2.88Å; E51-Q55 WeakPolarHBondContact O-CB 3.48Å; E51-Q55 PolarHBondContact O-OE1 2.71Å |
| 52 | V | 91.6 | Very high | 77.6 | Confident | 114 Ų | 114 | 104.1 Ų | 104.1 | 69% | 0.691 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -92.2 | -43.1 | -177.4 | 174.6 | 0 | 0 | 0 | 0 | 111.9 | E48 H49 | E48-V52 HydrophobicContact CG-CG2 4.26Å; E48-V52 WeakPolarHBondContact O-CB 3.45Å; E48-V52 WeakPolarHBondContact O-CG2 3.39Å; E48-V52 PolarHBondContact O-N 3.16Å; H49-V52 PolarHBondContact O-N 2.96Å |
| 53 | V | 89.6 | Confident | 75.4 | Confident | 87 Ų | 87 | 109.2 Ų | 109.2 | 53% | 0.527 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -94.7 | -36.5 | -171.6 | -175.3 | 0 | 0 | 0 | 0 | 111.5 | H49 | H49-V53 VanDerWaalsContact O-CB 3.25Å; H49-V53 WeakPolarHBondContact O-CB 3.22Å; H49-V53 WeakPolarHBondContact O-CG2 3.49Å; H49-V53 PolarHBondContact O-N 3.34Å |
| 54 | H | 90.8 | Very high | 72.7 | Confident | 37 Ų | 37 | 109.6 Ų | 109.6 | 17% | 0.171 | 59% | 0.593 | C | S | . | * | S | Bend | trans | -115.2 | 3.4 | -168.5 | -67 | -76.9 | 0 | 0 | 0 | 114.5 | E36 C37 H49 M50 Q56 | E36-H54 WeakPolarHBondContact CB-CE1 3.3Å; E36-H54 WeakPolarHBondContact CB-ND1 3.03Å; E36-H54 WeakPolarHBondContact OE2-CB 3.49Å; E36-H54 IonicContact OE2-CE1 3.9Å; E36-H54 IonicContact OE2-CG 3.69Å; E36-H54 VanDerWaalsContact OE2-CG 3.27Å; E36-H54 IonicContact OE2-ND1 3.27Å; E36-H54 PolarHBondContact OE2-ND1 3.14Å; C37-H54 PolarHBondContact SG-NE2 2.97Å; H49-H54 AromaticContact CD2-CD2 3.94Å; H49-H54 AromaticContact CE1-CD2 3.98Å; H49-H54 AromaticContact CE1-NE2 3.78Å; H49-H54 AromaticContact NE2-CD2 3.42Å; H49-H54 PolarHBondContact NE2-CD2 3.36Å; H49-H54 AromaticContact NE2-NE2 3.33Å; H49-H54 PolarHBondContact NE2-NE2 3.01Å; M50-H54 HydrophobicContact CE-CB 4.1Å; M50-H54 WeakPolarHBondContact CE-CD2 3.39Å; M50-H54 CarbonylContact O-C 3.59Å; M50-H54 VanDerWaalsContact O-C 3.23Å; M50-H54 WeakPolarHBondContact O-CA 3.44Å; M50-H54 WeakPolarHBondContact O-CB 3.48Å; M50-H54 PolarHBondContact O-N 3.45Å; M50-H54 HydrophobicContact SD-CB 4.47Å; H54-Q56 VanDerWaalsContact C-N 3.32Å; H54-Q56 PolarHBondContact O-N 3.29Å |
| 55 | Q | 83.2 | Confident | 70.6 | Confident | 122 Ų | 122 | 110.4 Ų | 110.4 | 57% | 0.57 | 59% | 0.593 | S | S | * | * | trans | -69.3 | 89.6 | -179.3 | -169.7 | 100.2 | 72.6 | 0 | 0 | 111.2 | M50 E51 K57 | M50-Q55 PolarHBondContact O-N 3.47Å; E51-Q55 WeakPolarHBondContact O-CB 3.48Å; E51-Q55 PolarHBondContact O-OE1 2.71Å; Q55-K57 PolarHBondContact O-N 2.57Å | ||
| 56 | Q | 66.4 | Low | 68 | Low | 175 Ų | 175 | 110.7 Ų | 110.7 | 82% | 0.818 | 61% | 0.605 | S | S | * | * | trans | -69.9 | 122.5 | 157.8 | -80.1 | -177.8 | -7.6 | 0 | 0 | 108.3 | H54 Q58 | H54-Q56 VanDerWaalsContact C-N 3.32Å; H54-Q56 PolarHBondContact O-N 3.29Å; Q56-Q58 PolarHBondContact O-N 3.09Å | ||
| 57 | K | 53.7 | Low | 65.9 | Low | 184 Ų | 184 | 120.5 Ų | 120.5 | 80% | 0.8 | 64% | 0.64 | S | S | * | * | trans | -53 | 107.2 | 177 | -63.8 | -178 | -180 | -179.8 | 0 | 109.2 | Q55 C59 | Q55-K57 PolarHBondContact O-N 2.57Å; K57-C59 PolarHBondContact O-N 2.8Å | ||
| 58 | Q | 46.9 | Very low | 63.6 | Low | 184 Ų | 184 | 120.2 Ų | 120.2 | 86% | 0.86 | 64% | 0.644 | S | S | * | * | trans | -66.9 | 81.1 | 161.6 | -74.3 | -89.4 | 2.6 | 0 | 0 | 107.2 | Q56 S60 | Q56-Q58 PolarHBondContact O-N 3.09Å; Q58-S60 VanDerWaalsContact C-N 3.27Å; Q58-S60 PolarHBondContact O-N 2.81Å | ||
| 59 | C | 39.5 | Very low | 61.7 | Low | 105 Ų | 105 | 126.1 Ų | 126.1 | 71% | 0.709 | 66% | 0.661 | S | S | * | * | trans | -71.8 | 90 | 165.2 | -65.8 | 0 | 0 | 0 | 0 | 107.2 | K57 A61 | K57-C59 PolarHBondContact O-N 2.8Å; C59-A61 VanDerWaalsContact C-N 3.3Å; C59-A61 PolarHBondContact O-N 3.31Å | ||
| 60 | S | 43.2 | Very low | 59 | Low | 126 Ų | 126 | 132 Ų | 132 | 88% | 0.881 | 69% | 0.694 | S | S | * | * | trans | -74.1 | 91.3 | 162.4 | -167.1 | 0 | 0 | 0 | 0 | 107.9 | Q58 | Q58-S60 VanDerWaalsContact C-N 3.27Å; Q58-S60 PolarHBondContact O-N 2.81Å | ||
| 61 | A | 44.7 | Very low | 57.2 | Low | 73 Ų | 73 | 138.6 Ų | 138.6 | 60% | 0.603 | 72% | 0.724 | S | S | * | * | trans | -132.6 | 135.4 | 161.1 | 0 | 0 | 0 | 0 | 0 | 107.9 | C59 N63 | C59-A61 VanDerWaalsContact C-N 3.3Å; C59-A61 PolarHBondContact O-N 3.31Å; A61-N63 PolarHBondContact O-N 3.34Å; A61-N63 VanDerWaalsContact O-N 3.16Å | ||
| 62 | P | 45.8 | Very low | 54.7 | Low | 120 Ų | 120 | 138.7 Ų | 138.7 | 78% | 0.779 | 74% | 0.735 | S | S | * | * | trans | -72.1 | 114.3 | -178.6 | 29.3 | -30.9 | 0 | 0 | 0 | 109.7 | ||||
| 63 | N | 48.1 | Very low | 52.4 | Low | 155 Ų | 155 | 140.2 Ų | 140.2 | 83% | 0.829 | 74% | 0.738 | S | S | * | * | trans | 36.2 | 88.5 | 150.4 | -54.1 | -11.8 | 0 | 0 | 0 | 117.7 | A61 | A61-N63 PolarHBondContact O-N 3.34Å; A61-N63 VanDerWaalsContact O-N 3.16Å | ||
| 64 | T | 35.3 | Very low | 49.9 | Very low | 135 Ų | 135 | 142.5 Ų | 142.5 | 83% | 0.828 | 75% | 0.745 | S | S | * | * | trans | -131.5 | 112.6 | 141 | -12.2 | 0 | 0 | 0 | 0 | 108.5 | T66 | T64-T66 PolarHBondContact O-N 3.33Š| ||
| 65 | V | 49.9 | Very low | 47.6 | Very low | 128 Ų | 128 | 146.3 Ų | 146.3 | 78% | 0.776 | 77% | 0.771 | S | S | * | * | trans | -65.2 | 114 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 109 | R67 | V65-R67 HydrophobicContact CG1-CG 4.31Š| ||
| 66 | T | 37.8 | Very low | 45.6 | Very low | 123 Ų | 123 | 147.4 Ų | 147.4 | 76% | 0.755 | 78% | 0.779 | S | S | * | * | trans | -126.8 | 100.6 | 151.4 | 19.5 | 0 | 0 | 0 | 0 | 108.1 | T64 I68 | T64-T66 PolarHBondContact O-N 3.33Å; T66-I68 PolarHBondContact O-N 3.38Å; T66-I68 VanDerWaalsContact O-N 3.17Å | ||
| 67 | R | 51 | Low | 45 | Very low | 237 Ų | 237 | 143.9 Ų | 143.9 | 89% | 0.894 | 77% | 0.772 | S | S | * | * | trans | -62.2 | 109.3 | 162.9 | -72.6 | -88.1 | 176.7 | 177.9 | -4.1 | 107.2 | V65 | V65-R67 HydrophobicContact CG1-CG 4.31Š| ||
| 68 | I | 42.2 | Very low | 44.2 | Very low | 145 Ų | 145 | 140.5 Ų | 140.5 | 74% | 0.744 | 77% | 0.771 | S | S | * | * | trans | -125.7 | 108.3 | 157.3 | -56.6 | -175.4 | 0 | 0 | 0 | 106.4 | T66 D70 | T66-I68 PolarHBondContact O-N 3.38Å; T66-I68 VanDerWaalsContact O-N 3.17Å; I68-D70 PolarHBondContact O-N 3.43Å | ||
| 69 | R | 56.7 | Low | 44 | Very low | 240 Ų | 240 | 137.6 Ų | 137.6 | 91% | 0.906 | 77% | 0.766 | S | S | * | * | trans | -60.9 | 123.6 | 159.5 | -76.6 | 174.1 | 165.6 | 177.6 | -5.5 | 106.3 | ||||
| 70 | D | 37.3 | Very low | 44.4 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 78% | 0.776 | S | S | * | * | trans | -157 | 117.5 | 140.3 | -124.2 | -49 | 0 | 0 | 0 | 110 | I68 S72 | I68-D70 PolarHBondContact O-N 3.43Å; D70-S72 PolarHBondContact O-N 3.12Å | ||
| 71 | E | 55.1 | Low | 44.1 | Very low | 183 Ų | 183 | 139 Ų | 139 | 86% | 0.855 | 77% | 0.768 | S | S | * | * | trans | -59.9 | 119.1 | 167.8 | -75.4 | 175.6 | 89.7 | 0 | 0 | 108.5 | ||||
| 72 | S | 39.7 | Very low | 43.6 | Very low | 95 Ų | 95 | 145.1 Ų | 145.1 | 66% | 0.664 | 78% | 0.781 | S | S | * | * | trans | -140 | 79.8 | 160.1 | 42.7 | 0 | 0 | 0 | 0 | 109.1 | D70 I74 | D70-S72 PolarHBondContact O-N 3.12Å; S72-I74 VanDerWaalsContact C-N 3.32Å; S72-I74 PolarHBondContact O-N 3.33Å | ||
| 73 | I | 42.9 | Very low | 43.8 | Very low | 146 Ų | 146 | 148.8 Ų | 148.8 | 75% | 0.749 | 79% | 0.79 | S | S | * | * | trans | -62.1 | 100 | 154.9 | -68.3 | 172.1 | 0 | 0 | 0 | 106.2 | V75 | I73-V75 HydrophobicContact CG2-CG2 3.61Å; I73-V75 PolarHBondContact O-N 2.98Å | ||
| 74 | I | 37.5 | Very low | 43.5 | Very low | 135 Ų | 135 | 148.1 Ų | 148.1 | 69% | 0.692 | 79% | 0.787 | S | S | * | * | trans | -89.3 | 86.5 | 164 | -60.3 | 179.4 | 0 | 0 | 0 | 106 | S72 I76 | S72-I74 VanDerWaalsContact C-N 3.32Å; S72-I74 PolarHBondContact O-N 3.33Å; I74-I76 HydrophobicContact CG2-CD1 3.69Å; I74-I76 HydrophobicContact CG2-CG1 3.67Å | ||
| 75 | V | 43.7 | Very low | 43.4 | Very low | 117 Ų | 117 | 147.7 Ų | 147.7 | 71% | 0.709 | 79% | 0.789 | S | S | * | * | trans | -74.1 | 117.7 | 156 | 170 | 0 | 0 | 0 | 0 | 106 | I73 | I73-V75 HydrophobicContact CG2-CG2 3.61Å; I73-V75 PolarHBondContact O-N 2.98Å | ||
| 76 | I | 39.4 | Very low | 42.9 | Very low | 145 Ų | 145 | 144.1 Ų | 144.1 | 74% | 0.744 | 78% | 0.778 | S | S | * | * | trans | -118.6 | 137.4 | 160.4 | -69.3 | 176.8 | 0 | 0 | 0 | 108.2 | I74 | I74-I76 HydrophobicContact CG2-CD1 3.69Å; I74-I76 HydrophobicContact CG2-CG1 3.67Å | ||
| 77 | P | 55.4 | Low | 43.5 | Very low | 101 Ų | 101 | 145.4 Ų | 145.4 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | trans | -102.1 | 155.5 | -146.1 | 36 | -26.5 | 0 | 0 | 0 | 112.1 | ||||
| 78 | S | 36.6 | Very low | 42.8 | Very low | 113 Ų | 113 | 145.6 Ų | 145.6 | 79% | 0.79 | 78% | 0.781 | S | S | * | * | trans | -135.4 | 101.8 | 161.1 | -73.8 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 79 | T | 41.4 | Very low | 42.2 | Very low | 124 Ų | 124 | 149.3 Ų | 149.3 | 76% | 0.761 | 79% | 0.786 | S | S | * | * | trans | 68.5 | 101.2 | 138.5 | 57.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 80 | L | 48.8 | Very low | 41.3 | Very low | 175 Ų | 175 | 142.4 Ų | 142.4 | 92% | 0.916 | 77% | 0.774 | S | S | * | * | 51.9 | 87.9 | 126.5 | -79.6 | 168.2 | 0 | 0 | 0 | 117.7 | |||||
| 81 | A | 36 | Very low | 41 | Very low | 85 Ų | 85 | 141.5 Ų | 141.5 | 70% | 0.702 | 77% | 0.774 | S | S | * | * | -152.3 | 127.8 | 123.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 82 | F | 35.7 | Very low | 40 | Very low | 201 Ų | 201 | 139.7 Ų | 139.7 | 88% | 0.882 | 78% | 0.775 | S | S | * | * | trans | 168.1 | 84 | 145.9 | -94.5 | -70.3 | 0 | 0 | 0 | 107.8 | D84 | F82-D84 VanDerWaalsContact C-N 3.34Å; F82-D84 PolarHBondContact O-N 3.07Å | ||
| 83 | M | 49.3 | Very low | 40.1 | Very low | 198 Ų | 198 | 140 Ų | 140 | 98% | 0.975 | 78% | 0.777 | S | S | * | * | trans | -85.4 | 91.4 | 148.9 | -58.6 | -153.6 | 84.9 | 0 | 0 | 106.5 | ||||
| 84 | D | 40.9 | Very low | 39.9 | Very low | 141 Ų | 141 | 142 Ų | 142 | 75% | 0.754 | 78% | 0.78 | S | S | * | * | trans | -144.9 | 110.5 | 144.2 | -168 | 54.2 | 0 | 0 | 0 | 107.5 | F82 | F82-D84 VanDerWaalsContact C-N 3.34Å; F82-D84 PolarHBondContact O-N 3.07Å | ||
| 85 | S | 34.2 | Very low | 39.8 | Very low | 125 Ų | 125 | 142.1 Ų | 142.1 | 87% | 0.874 | 78% | 0.783 | S | S | * | * | trans | -122.3 | 94.2 | 172.4 | -126 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 86 | G | 40.3 | Very low | 39.3 | Very low | 53 Ų | 53 | 141.5 Ų | 141.5 | 55% | 0.546 | 78% | 0.779 | S | S | . | * | trans | -69.2 | 126.4 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 87 | N | 48.6 | Very low | 39.8 | Very low | 150 Ų | 150 | 144.8 Ų | 144.8 | 80% | 0.802 | 78% | 0.782 | S | S | * | * | trans | 76.1 | 128.4 | 147.7 | 95.6 | 79.7 | 0 | 0 | 0 | 120.5 | ||||
| 88 | R | 37.1 | Very low | 39.3 | Very low | 241 Ų | 241 | 146.1 Ų | 146.1 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | -146.2 | 128.9 | 126.8 | -118.2 | -177.1 | -174.8 | -85 | 0.1 | 112 | |||||
| 89 | R | 28.8 | Very low | 39.3 | Very low | 224 Ų | 224 | 150 Ų | 150 | 85% | 0.845 | 79% | 0.793 | S | S | * | * | trans | -73.3 | 137.4 | 173.3 | 175.7 | 168.5 | -165.5 | 149.6 | 5.2 | 110.8 | ||||
| 90 | S | 37.8 | Very low | 39.4 | Very low | 95 Ų | 95 | 150.5 Ų | 150.5 | 66% | 0.664 | 80% | 0.797 | S | S | * | * | 179.4 | 145.2 | 112.6 | -116.1 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 91 | T | 32.9 | Very low | 38.8 | Very low | 125 Ų | 125 | 151.4 Ų | 151.4 | 77% | 0.767 | 79% | 0.793 | S | S | * | * | trans | 81.9 | 126.8 | 147.6 | 57.6 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 92 | V | 32.3 | Very low | 38.8 | Very low | 145 Ų | 145 | 153.8 Ų | 153.8 | 88% | 0.879 | 79% | 0.794 | S | S | * | * | trans | 99.2 | 120.8 | 156.2 | 169.6 | 0 | 0 | 0 | 0 | 118.5 | ||||
| 93 | S | 42.4 | Very low | 39 | Very low | 101 Ų | 101 | 154.6 Ų | 154.6 | 71% | 0.706 | 79% | 0.791 | S | S | * | * | trans | -71.9 | 154.2 | -172 | -43.2 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 94 | K | 37.8 | Very low | 38.6 | Very low | 187 Ų | 187 | 151.5 Ų | 151.5 | 81% | 0.813 | 78% | 0.779 | S | S | * | * | -179.5 | 120.2 | 117.4 | -94.2 | 153.5 | -173 | 167 | 0 | 111.9 | |||||
| 95 | D | 35.8 | Very low | 38.5 | Very low | 139 Ų | 139 | 149.8 Ų | 149.8 | 74% | 0.743 | 78% | 0.778 | S | S | * | * | trans | 61.5 | 120.9 | 131.2 | -75.4 | -80.3 | 0 | 0 | 0 | 123 | ||||
| 96 | V | 32.8 | Very low | 38.7 | Very low | 104 Ų | 104 | 149 Ų | 149 | 63% | 0.63 | 77% | 0.772 | S | S | * | * | 100.4 | 106.6 | 127.9 | 175.3 | 0 | 0 | 0 | 0 | 119 | |||||
| 97 | R | 50.2 | Low | 38.2 | Very low | 213 Ų | 213 | 152.8 Ų | 152.8 | 80% | 0.804 | 79% | 0.785 | S | S | * | * | trans | 87.9 | 126.9 | 144.5 | -75.8 | 165.7 | -170.6 | -178.4 | 0.8 | 120.6 | ||||
| 98 | P | 46.5 | Very low | 37.5 | Very low | 129 Ų | 129 | 154.9 Ų | 154.9 | 84% | 0.838 | 79% | 0.787 | S | S | * | * | trans | -86.1 | 129.3 | 149.6 | 32.1 | -24.1 | 0 | 0 | 0 | 109.6 | ||||
| 99 | K | 35.2 | Very low | 37.4 | Very low | 195 Ų | 195 | 153.4 Ų | 153.4 | 85% | 0.848 | 78% | 0.781 | S | S | * | * | trans | -121.5 | 114.1 | 169.1 | -134.1 | -178.2 | -174.4 | -178.4 | 0 | 110.4 | ||||
| 100 | T | 43 | Very low | 37.5 | Very low | 135 Ų | 135 | 149.7 Ų | 149.7 | 83% | 0.828 | 77% | 0.773 | S | S | * | * | trans | -57.2 | 173.4 | 163.4 | 9.5 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 101 | K | 36.3 | Very low | 37.1 | Very low | 194 Ų | 194 | 150.3 Ų | 150.3 | 84% | 0.843 | 77% | 0.773 | S | S | * | * | trans | 101.2 | 124.8 | 163.9 | -150 | 176.9 | -176.7 | 179.8 | 0 | 111.4 | ||||
| 102 | N | 37.4 | Very low | 37.1 | Very low | 134 Ų | 134 | 152.6 Ų | 152.6 | 72% | 0.717 | 77% | 0.772 | S | S | * | * | -166.4 | 152.8 | 52.1 | -171.6 | 14.2 | 0 | 0 | 0 | 112.5 | |||||
| 103 | R | 39.6 | Very low | 36.9 | Very low | 218 Ų | 218 | 152.1 Ų | 152.1 | 82% | 0.823 | 76% | 0.759 | S | S | * | * | trans | -93 | 144.1 | 176.7 | 144.5 | -168.2 | 162.1 | -161.4 | -3.3 | 110.5 | ||||
| 104 | N | 41.4 | Very low | 36.8 | Very low | 134 Ų | 134 | 153.6 Ų | 153.6 | 72% | 0.717 | 75% | 0.754 | S | S | * | * | trans | 158.7 | 126.7 | 137.9 | 59.5 | 21.5 | 0 | 0 | 0 | 107.4 | ||||
| 105 | S | 37.5 | Very low | 36.3 | Very low | 105 Ų | 105 | 151 Ų | 151 | 73% | 0.734 | 75% | 0.75 | S | S | * | * | cis | 94.5 | 104.4 | 42.4 | 73.5 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 106 | S | 39 | Very low | 36 | Very low | 109 Ų | 109 | 147.9 Ų | 147.9 | 76% | 0.762 | 75% | 0.75 | S | S | * | * | 83.5 | 143.6 | 128.9 | -134.3 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 107 | T | 29.4 | Very low | 35.7 | Very low | 131 Ų | 131 | 149 Ų | 149 | 80% | 0.804 | 76% | 0.758 | S | S | * | * | trans | 94.2 | 125.5 | 149.7 | 63.1 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 108 | K | 34.1 | Very low | 35 | Very low | 194 Ų | 194 | 145.4 Ų | 145.4 | 84% | 0.843 | 76% | 0.759 | S | S | * | * | 124.4 | 94.8 | 127 | -153.9 | 174 | -176.9 | -176.4 | 0 | 112.6 | |||||
| 109 | R | 35.3 | Very low | 34.1 | Very low | 210 Ų | 210 | 143.2 Ų | 143.2 | 79% | 0.792 | 75% | 0.752 | S | S | * | * | 70.7 | 124.3 | 88.7 | -91 | -167 | -178.1 | -159.8 | 4.9 | 115.3 | |||||
| 110 | E | 29.9 | Very low | 34.2 | Very low | 147 Ų | 147 | 142.1 Ų | 142.1 | 69% | 0.687 | 75% | 0.754 | S | S | * | * | trans | 73.8 | 144.9 | 142.5 | -63.3 | -172.6 | 103 | 0 | 0 | 116 | ||||
| 111 | T | 29.5 | Very low | 34 | Very low | 108 Ų | 108 | 141.7 Ų | 141.7 | 66% | 0.663 | 75% | 0.754 | S | S | * | * | cis | -174.3 | 158.1 | 18.6 | -6.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 112 | K | 33.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 139.8 Ų | 139.8 | 75% | 0.748 | 75% | 0.752 | S | S | * | * | trans | 69.8 | 131.6 | 130.9 | -159.6 | 169.8 | -175.2 | -177.2 | 0 | 116.3 | ||||
| 113 | K | 28.4 | Very low | 33.9 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 59% | 0.587 | 76% | 0.756 | S | S | * | * | cis | 175.1 | 154.9 | 15.1 | -126 | -179.5 | 169.3 | -147.9 | 0 | 106 | ||||
| 114 | Q | 39 | Very low | 33.6 | Very low | 132 Ų | 132 | 137.9 Ų | 137.9 | 62% | 0.617 | 76% | 0.759 | S | S | * | * | trans | 68.2 | 149 | 133.1 | -75.6 | 175.9 | -1.9 | 0 | 0 | 120.5 | ||||
| 115 | N | 27.6 | Very low | 33 | Very low | 134 Ų | 134 | 135.1 Ų | 135.1 | 72% | 0.717 | 76% | 0.762 | S | S | * | * | cis | 175.2 | 147.4 | -19.6 | 47.1 | -4.8 | 0 | 0 | 0 | 108.1 | ||||
| 116 | G | 29.6 | Very low | 33.4 | Very low | 73 Ų | 73 | 137.6 Ų | 137.6 | 75% | 0.753 | 77% | 0.766 | S | S | * | * | trans | 69 | 168.5 | 159 | 0 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 117 | T | 27.8 | Very low | 33.3 | Very low | 128 Ų | 128 | 141.5 Ų | 141.5 | 79% | 0.785 | 77% | 0.772 | S | S | * | * | cis | -176.4 | 136.1 | -19.7 | -85.6 | 0 | 0 | 0 | 0 | 105 | ||||
| 118 | V | 34.1 | Very low | 33.8 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 82% | 0.824 | 77% | 0.774 | S | S | * | * | trans | 65.8 | 123 | 155.9 | 176.4 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 119 | A | 28.1 | Very low | 33.7 | Very low | 84 Ų | 84 | 146.6 Ų | 146.6 | 69% | 0.694 | 78% | 0.779 | S | S | * | * | 138.8 | 119.7 | 125.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | |||||
| 120 | L | 36.9 | Very low | 34.2 | Very low | 172 Ų | 172 | 140.6 Ų | 140.6 | 90% | 0.901 | 78% | 0.775 | S | S | * | * | trans | -65.3 | 145.2 | 151.8 | -67.1 | 169.3 | 0 | 0 | 0 | 108.7 | ||||
| 121 | P | 38.6 | Very low | 34.9 | Very low | 126 Ų | 126 | 141.3 Ų | 141.3 | 82% | 0.818 | 78% | 0.783 | S | S | * | * | -137.9 | 161.8 | 112.1 | 14.8 | 7.4 | 0 | 0 | 0 | 114.8 | |||||
| 122 | L | 35.3 | Very low | 35.5 | Very low | 154 Ų | 154 | 143.9 Ų | 143.9 | 81% | 0.806 | 79% | 0.792 | S | S | * | * | trans | -65.2 | 147.4 | -170.9 | -83 | 144.9 | 0 | 0 | 0 | 117.4 | ||||
| 123 | K | 37.2 | Very low | 36.1 | Very low | 186 Ų | 186 | 141.3 Ų | 141.3 | 81% | 0.809 | 79% | 0.793 | S | S | * | * | trans | 77.6 | 124.6 | 139.7 | -74.8 | -179 | 179.9 | -170.4 | 0 | 121.4 | ||||
| 124 | S | 34.2 | Very low | 37 | Very low | 126 Ų | 126 | 141.2 Ų | 141.2 | 88% | 0.881 | 80% | 0.804 | S | S | * | * | 126.5 | 128.5 | 118.4 | 72.3 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 125 | G | 28.9 | Very low | 37.5 | Very low | 75 Ų | 75 | 137.4 Ų | 137.4 | 77% | 0.773 | 80% | 0.8 | S | S | * | * | trans | 168.5 | 68.3 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q127 | G125-Q127 PolarHBondContact O-N 3.36Š| ||
| 126 | L | 46.1 | Very low | 39 | Very low | 157 Ų | 157 | 136 Ų | 136 | 82% | 0.822 | 79% | 0.793 | S | S | * | * | trans | -64.4 | 107.5 | 157.9 | -102.4 | 169.2 | 0 | 0 | 0 | 107.5 | Q128 | L126-Q128 HydrophobicContact CD2-CG 4.48Š| ||
| 127 | Q | 35.3 | Very low | 40.2 | Very low | 191 Ų | 191 | 140.7 Ų | 140.7 | 89% | 0.893 | 79% | 0.794 | S | S | * | * | trans | -138.2 | 97.4 | 151 | -70.3 | -165.8 | 14.3 | 0 | 0 | 108.1 | G125 | G125-Q127 PolarHBondContact O-N 3.36Š| ||
| 128 | Q | 41.3 | Very low | 41.6 | Very low | 180 Ų | 180 | 139.2 Ų | 139.2 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | trans | -67.1 | 132.9 | 162.2 | -70 | 175.7 | -21.2 | 0 | 0 | 108.4 | L126 | L126-Q128 HydrophobicContact CD2-CG 4.48Š| ||
| 129 | R | 30.2 | Very low | 42.6 | Very low | 253 Ų | 253 | 133.5 Ų | 133.5 | 96% | 0.955 | 75% | 0.753 | S | S | * | * | trans | -128.7 | 125.6 | 152.5 | -129 | 178.8 | -171.2 | -174.7 | 1.9 | 107.4 | ||||
| 130 | A | 46.1 | Very low | 43.8 | Very low | 84 Ų | 84 | 136.6 Ų | 136.6 | 69% | 0.694 | 75% | 0.747 | S | S | * | * | trans | -66.2 | 149.4 | -165.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 131 | D | 45.2 | Very low | 44.9 | Very low | 161 Ų | 161 | 134.6 Ų | 134.6 | 86% | 0.861 | 74% | 0.738 | S | S | * | * | -172 | 146.6 | 119.5 | -91.3 | -47.7 | 0 | 0 | 0 | 111.2 | |||||
| 132 | L | 42.1 | Very low | 46.2 | Very low | 163 Ų | 163 | 132 Ų | 132 | 85% | 0.853 | 72% | 0.72 | S | S | * | * | S | Bend | trans | 88.6 | 142.9 | 167.7 | -121 | 51.4 | 0 | 0 | 0 | 118.9 | T134 | L132-T134 PolarHBondContact O-N 2.81Š|
| 133 | P | 46.1 | Very low | 47.7 | Very low | 117 Ų | 117 | 129.3 Ų | 129.3 | 76% | 0.76 | 71% | 0.706 | S | S | * | * | trans | -70.8 | 127.9 | -161.4 | 29.1 | -24.9 | 0 | 0 | 0 | 110.2 | G135 | P133-G135 VanDerWaalsContact C-N 3.32Å; P133-G135 PolarHBondContact O-N 2.84Å | ||
| 134 | T | 47.2 | Very low | 49.2 | Very low | 134 Ų | 134 | 125.3 Ų | 125.3 | 82% | 0.822 | 69% | 0.69 | S | S | * | * | trans | -61.1 | 89.6 | 173.4 | -48.7 | 0 | 0 | 0 | 0 | 109.8 | L132 | L132-T134 PolarHBondContact O-N 2.81Š| ||
| 135 | G | 50.8 | Low | 50.5 | Low | 52 Ų | 52 | 122.8 Ų | 122.8 | 54% | 0.536 | 67% | 0.667 | S | S | . | * | trans | -72.2 | 122.8 | 137.6 | 0 | 0 | 0 | 0 | 0 | 106.1 | P133 E137 | P133-G135 VanDerWaalsContact C-N 3.32Å; P133-G135 PolarHBondContact O-N 2.84Å; G135-E137 VanDerWaalsContact C-N 3.28Å; G135-E137 PolarHBondContact O-N 2.91Å | ||
| 136 | D | 57.7 | Low | 52.6 | Low | 105 Ų | 105 | 119.3 Ų | 119.3 | 56% | 0.561 | 63% | 0.63 | S | S | * | * | trans | -56.4 | 79.2 | -179.6 | 44.1 | -48.3 | 0 | 0 | 0 | 112.4 | T138 A139 | D136-T138 PolarHBondContact O-N 2.98Å; D136-A139 VanDerWaalsContact O-CB 3.28Å; D136-A139 WeakPolarHBondContact O-CB 3.42Å; D136-A139 PolarHBondContact O-N 2.99Å; D136-A139 WeakPolarHBondContact OD2-CB 3.01Å | ||
| 137 | E | 54.7 | Low | 53.2 | Low | 170 Ų | 170 | 115.8 Ų | 115.8 | 79% | 0.794 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -53.6 | -24.8 | 176.8 | -75.8 | -166.4 | 111.7 | 0 | 0 | 112.8 | G135 A139 | G135-E137 VanDerWaalsContact C-N 3.28Å; G135-E137 PolarHBondContact O-N 2.91Å; E137-A139 VanDerWaalsContact C-N 3.25Å; E137-A139 PolarHBondContact O-N 3.09Å |
| 138 | T | 57.9 | Low | 54.6 | Low | 97 Ų | 97 | 112.5 Ų | 112.5 | 60% | 0.595 | 60% | 0.602 | S | S | * | * | G | 310 helix | trans | -72.3 | -13.3 | 177.1 | 56.7 | 0 | 0 | 0 | 0 | 114.4 | D136 Y140 D141 T142 | D136-T138 PolarHBondContact O-N 2.98Å; T138-Y140 VanDerWaalsContact C-N 3.28Å; T138-Y140 PolarHBondContact O-N 3.31Å; T138-D141 PolarHBondContact O-N 2.71Å; T138-T142 PolarHBondContact O-N 2.88Å; T138-T142 PolarHBondContact O-OG1 3.44Å |
| 139 | A | 54.2 | Low | 55.7 | Low | 17 Ų | 17 | 106.3 Ų | 106.3 | 14% | 0.14 | 58% | 0.579 | C | S | . | * | G | 310 helix | trans | -69.5 | -27.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | D136 E137 P156 | D136-A139 VanDerWaalsContact O-CB 3.28Å; D136-A139 WeakPolarHBondContact O-CB 3.42Å; D136-A139 PolarHBondContact O-N 2.99Å; D136-A139 WeakPolarHBondContact OD2-CB 3.01Å; E137-A139 VanDerWaalsContact C-N 3.25Å; E137-A139 PolarHBondContact O-N 3.09Å; A139-P156 WeakPolarHBondContact O-CD 3.48Å |
| 140 | Y | 54.6 | Low | 57.1 | Low | 148 Ų | 148 | 103 Ų | 103 | 58% | 0.58 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.6 | -20.3 | 174.4 | -65.7 | -81.5 | 0 | 0 | 0 | 113 | T138 P154 P156 | T138-Y140 VanDerWaalsContact C-N 3.28Å; T138-Y140 PolarHBondContact O-N 3.31Å; Y140-P154 HydrophobicContact CD1-CB 4.41Å; Y140-P156 HydrophobicContact CD1-CG 3.92Å; Y140-P156 HydrophobicContact CE1-CB 4.5Å; Y140-P156 HydrophobicContact CE1-CG 3.64Å |
| 141 | D | 59.8 | Low | 58.2 | Low | 130 Ų | 130 | 103.2 Ų | 103.2 | 70% | 0.695 | 56% | 0.555 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.8 | -17.3 | 178 | -67.6 | -44.9 | 0 | 0 | 0 | 113.5 | T138 L143 | T138-D141 PolarHBondContact O-N 2.71Å; D141-L143 PolarHBondContact O-N 3.41Å |
| 142 | T | 65.6 | Low | 59.2 | Low | 72 Ų | 72 | 100.3 Ų | 100.3 | 44% | 0.442 | 54% | 0.539 | S | S | . | . | trans | -91.3 | 96.8 | 177.8 | -53.2 | 0 | 0 | 0 | 0 | 110.2 | T138 L155 | T138-T142 PolarHBondContact O-N 2.88Å; T138-T142 PolarHBondContact O-OG1 3.44Å; T142-L155 HydrophobicContact CG2-CD1 3.88Å; T142-L155 PolarHBondContact O-N 3.47Å | ||
| 143 | L | 66.3 | Low | 60.8 | Low | 97 Ų | 97 | 94.3 Ų | 94.3 | 51% | 0.508 | 51% | 0.507 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.6 | 125.7 | 175.2 | -58.1 | -179.4 | 0 | 0 | 0 | 110.7 | D141 L152 L153 P154 | D141-L143 PolarHBondContact O-N 3.41Å; L143-L152 HydrophobicContact CB-CD2 4.27Å; L143-L153 WeakPolarHBondContact CA-O 3.45Å; L143-P154 HydrophobicContact CD2-CB 4.21Å; L143-P154 VanDerWaalsContact CD2-CD 3.46Å; L143-P154 HydrophobicContact CD2-CG 3.58Å |
| 144 | Q | 69.3 | Low | 62.3 | Low | 102 Ų | 102 | 89.7 Ų | 89.7 | 48% | 0.477 | 48% | 0.477 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 147.2 | 175.2 | -176.1 | 172.5 | 2.9 | 0 | 0 | 110.3 | L153 L158 | Q144-L153 PolarHBondContact N-O 3.45Å; Q144-L153 PolarHBondContact O-N 3.45Å; Q144-L153 VanDerWaalsContact O-N 3.1Å; Q144-L158 HydrophobicContact CB-CD2 3.6Å; Q144-L158 HydrophobicContact CG-CD2 3.77Å |
| 145 | N | 61.1 | Low | 63.3 | Low | 74 Ų | 74 | 86.7 Ų | 86.7 | 40% | 0.396 | 46% | 0.456 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 135 | 176.7 | -72.2 | -52.1 | 0 | 0 | 0 | 110.4 | C147 R150 I151 L152 | N145-C147 PolarHBondContact O-N 3.33Å; N145-R150 PolarHBondContact OD1-O 3.33Å; N145-I151 WeakPolarHBondContact CA-O 3.47Å; N145-L152 WeakPolarHBondContact OD1-CD2 3.49Å; N145-L152 WeakPolarHBondContact OD1-CG 3.24Å |
| 146 | C | 73.2 | Confident | 64.1 | Low | 1 Ų | 1 | 86.7 Ų | 86.7 | 1% | 0.007 | 45% | 0.447 | C | S | . | . | trans | -61.5 | 130.9 | 164.1 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | Q148 C149 R150 I151 L158 | C146-Q148 PolarHBondContact O-N 3.21Å; C146-C149 WeakPolarHBondContact CB-SG 3.44Å; C146-C149 VanDerWaalsContact SG-SG 3.66Å; C146-R150 VanDerWaalsContact O-CA 3.24Å; C146-R150 WeakPolarHBondContact O-CA 3.19Å; C146-R150 PolarHBondContact O-N 3.35Å; C146-I151 PolarHBondContact N-O 2.8Å; C146-I151 VanDerWaalsContact N-O 3.08Å; C146-L158 HydrophobicContact CB-CD1 3.57Å | ||
| 147 | C | 59.8 | Low | 64.7 | Low | 84 Ų | 84 | 85.6 Ų | 85.6 | 57% | 0.568 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -25 | 179.9 | 56.2 | 0 | 0 | 0 | 0 | 112.7 | N145 | N145-C147 PolarHBondContact O-N 3.33Š|
| 148 | Q | 64.7 | Low | 65.4 | Low | 121 Ų | 121 | 77.5 Ų | 77.5 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -44.6 | -176.8 | -56.3 | -58.8 | -11 | 0 | 0 | 113.8 | C146 | C146-Q148 PolarHBondContact O-N 3.21Š|
| 149 | C | 63.7 | Low | 65.8 | Low | 51 Ų | 51 | 77.9 Ų | 77.9 | 35% | 0.345 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -117.8 | -1.8 | -172.5 | 68.7 | 0 | 0 | 0 | 0 | 114.3 | C146 I151 H161 | C146-C149 WeakPolarHBondContact CB-SG 3.44Å; C146-C149 VanDerWaalsContact SG-SG 3.66Å; C149-I151 HydrophobicContact CB-CG1 4.44Å; C149-I151 PolarHBondContact O-N 3.27Å; C149-H161 PolarHBondContact SG-NE2 3.36Å |
| 150 | R | 58.6 | Low | 66.3 | Low | 184 Ų | 184 | 83.8 Ų | 83.8 | 69% | 0.694 | 43% | 0.425 | S | S | * | . | trans | 55.3 | 20 | 177.3 | -59.8 | -65.6 | -173.4 | 104.4 | 0.2 | 115.8 | N145 C146 | N145-R150 PolarHBondContact OD1-O 3.33Å; C146-R150 VanDerWaalsContact O-CA 3.24Å; C146-R150 WeakPolarHBondContact O-CA 3.19Å; C146-R150 PolarHBondContact O-N 3.35Å | ||
| 151 | I | 70.5 | Confident | 67.1 | Low | 88 Ų | 88 | 78.9 Ų | 78.9 | 45% | 0.451 | 41% | 0.407 | S | S | . | . | trans | -71.2 | 133 | 170.2 | -57.4 | 174.1 | 0 | 0 | 0 | 108.3 | N145 C146 C149 L153 | N145-I151 WeakPolarHBondContact CA-O 3.47Å; C146-I151 PolarHBondContact N-O 2.8Å; C146-I151 VanDerWaalsContact N-O 3.08Å; C149-I151 HydrophobicContact CB-CG1 4.44Å; C149-I151 PolarHBondContact O-N 3.27Å; I151-L153 HydrophobicContact CG2-CD1 4.27Å; I151-L153 HydrophobicContact CG2-CD2 4.25Å; I151-L153 HydrophobicContact CG2-CG 3.93Å | ||
| 152 | L | 66.1 | Low | 67.4 | Low | 100 Ų | 100 | 77 Ų | 77 | 52% | 0.524 | 39% | 0.394 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.5 | 115.9 | 172.6 | -77.6 | 168.5 | 0 | 0 | 0 | 109.4 | L143 N145 | L143-L152 HydrophobicContact CB-CD2 4.27Å; N145-L152 WeakPolarHBondContact OD1-CD2 3.49Å; N145-L152 WeakPolarHBondContact OD1-CG 3.24Å |
| 153 | L | 74.4 | Confident | 67.4 | Low | 36 Ų | 36 | 79 Ų | 79 | 19% | 0.188 | 41% | 0.406 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.3 | 149.7 | 175.9 | -67.4 | 169.6 | 0 | 0 | 0 | 109.7 | L143 Q144 I151 I157 L158 H161 | L143-L153 WeakPolarHBondContact CA-O 3.45Å; Q144-L153 PolarHBondContact N-O 3.45Å; Q144-L153 PolarHBondContact O-N 3.45Å; Q144-L153 VanDerWaalsContact O-N 3.1Å; I151-L153 HydrophobicContact CG2-CD1 4.27Å; I151-L153 HydrophobicContact CG2-CD2 4.25Å; I151-L153 HydrophobicContact CG2-CG 3.93Å; L153-I157 HydrophobicContact CB-CB 4.45Å; L153-I157 HydrophobicContact CB-CG2 4.48Å; L153-I157 HydrophobicContact CD1-CG2 4.26Å; L153-I157 HydrophobicContact CD2-CG2 4.17Å; L153-L158 HydrophobicContact CB-CB 4.07Å; L153-L158 HydrophobicContact CB-CD1 4.3Å; L153-L158 HydrophobicContact CD1-CD1 4.49Å; L153-H161 HydrophobicContact CD1-CB 3.8Å |
| 154 | P | 77.6 | Confident | 67.1 | Low | 21 Ų | 21 | 80.6 Ų | 80.6 | 14% | 0.136 | 42% | 0.415 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -57.2 | 139.4 | 166.9 | -19.3 | 29.3 | 0 | 0 | 0 | 110.6 | Y140 L143 P156 I157 L158 | Y140-P154 HydrophobicContact CD1-CB 4.41Å; L143-P154 HydrophobicContact CD2-CB 4.21Å; L143-P154 VanDerWaalsContact CD2-CD 3.46Å; L143-P154 HydrophobicContact CD2-CG 3.58Å; P154-P156 VanDerWaalsContact C-N 3.33Å; P154-P156 HydrophobicContact CB-CG 4.43Å; P154-P156 VanDerWaalsContact O-N 3.1Å; P154-I157 HydrophobicContact CB-CD1 4.46Å; P154-I157 HydrophobicContact CG-CD1 4.01Å; P154-I157 PolarHBondContact O-N 3.49Å; P154-L158 WeakPolarHBondContact O-CB 3.48Å; P154-L158 PolarHBondContact O-N 3.42Å |
| 155 | L | 68.3 | Low | 66.6 | Low | 71 Ų | 71 | 77 Ų | 77 | 37% | 0.372 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -37.4 | -49.1 | -179.9 | -84.5 | 162.1 | 0 | 0 | 0 | 116 | T142 I157 L158 N159 | T142-L155 HydrophobicContact CG2-CD1 3.88Å; T142-L155 PolarHBondContact O-N 3.47Å; L155-I157 PolarHBondContact O-N 3.43Å; L155-L158 WeakPolarHBondContact O-CB 3.27Å; L155-L158 PolarHBondContact O-N 3.21Å; L155-N159 PolarHBondContact O-N 2.91Å |
| 156 | P | 68.3 | Low | 66.3 | Low | 52 Ų | 52 | 77.8 Ų | 77.8 | 34% | 0.338 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -64.2 | -39.5 | -179.5 | 21 | -31.8 | 0 | 0 | 0 | 112.8 | A139 Y140 P154 N159 E160 | A139-P156 WeakPolarHBondContact O-CD 3.48Å; Y140-P156 HydrophobicContact CD1-CG 3.92Å; Y140-P156 HydrophobicContact CE1-CB 4.5Å; Y140-P156 HydrophobicContact CE1-CG 3.64Å; P154-P156 VanDerWaalsContact C-N 3.33Å; P154-P156 HydrophobicContact CB-CG 4.43Å; P154-P156 VanDerWaalsContact O-N 3.1Å; P156-N159 PolarHBondContact O-N 3.19Å; P156-E160 PolarHBondContact O-N 2.9Å |
| 157 | I | 71.3 | Confident | 65.3 | Low | 81 Ų | 81 | 81.9 Ų | 81.9 | 42% | 0.415 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -74.4 | -35.7 | 177.7 | -53.6 | 178.9 | 0 | 0 | 0 | 110.1 | L153 P154 L155 N159 E160 H161 | L153-I157 HydrophobicContact CB-CB 4.45Å; L153-I157 HydrophobicContact CB-CG2 4.48Å; L153-I157 HydrophobicContact CD1-CG2 4.26Å; L153-I157 HydrophobicContact CD2-CG2 4.17Å; P154-I157 HydrophobicContact CB-CD1 4.46Å; P154-I157 HydrophobicContact CG-CD1 4.01Å; P154-I157 PolarHBondContact O-N 3.49Å; L155-I157 PolarHBondContact O-N 3.43Å; I157-N159 VanDerWaalsContact C-N 3.27Å; I157-N159 PolarHBondContact O-N 3.42Å; I157-E160 PolarHBondContact O-N 3.42Å; I157-H161 WeakPolarHBondContact O-CB 3.4Å; I157-H161 PolarHBondContact O-N 3.06Å |
| 158 | L | 69.2 | Low | 64.4 | Low | 1 Ų | 1 | 84 Ų | 84 | 1% | 0.005 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -62.9 | -35.4 | 176.1 | -175.7 | 65.1 | 0 | 0 | 0 | 111.7 | Q144 C146 L153 P154 L155 H161 Q162 | Q144-L158 HydrophobicContact CB-CD2 3.6Å; Q144-L158 HydrophobicContact CG-CD2 3.77Å; C146-L158 HydrophobicContact CB-CD1 3.57Å; L153-L158 HydrophobicContact CB-CB 4.07Å; L153-L158 HydrophobicContact CB-CD1 4.3Å; L153-L158 HydrophobicContact CD1-CD1 4.49Å; P154-L158 WeakPolarHBondContact O-CB 3.48Å; P154-L158 PolarHBondContact O-N 3.42Å; L155-L158 WeakPolarHBondContact O-CB 3.27Å; L155-L158 PolarHBondContact O-N 3.21Å; L158-H161 PolarHBondContact O-N 3.1Å; L158-Q162 HydrophobicContact CG-CG 4.49Å; L158-Q162 WeakPolarHBondContact O-CB 3.05Å; L158-Q162 VanDerWaalsContact O-CG 3.27Å; L158-Q162 WeakPolarHBondContact O-CG 3.19Å; L158-Q162 PolarHBondContact O-N 3.37Å; L158-Q162 PolarHBondContact O-NE2 2.82Å |
| 159 | N | 64.9 | Low | 63.1 | Low | 105 Ų | 105 | 85.4 Ų | 85.4 | 56% | 0.561 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -68 | -46.1 | 178.6 | -167.1 | 43.2 | 0 | 0 | 0 | 111.7 | L155 P156 I157 H161 Q162 V163 | L155-N159 PolarHBondContact O-N 2.91Å; P156-N159 PolarHBondContact O-N 3.19Å; I157-N159 VanDerWaalsContact C-N 3.27Å; I157-N159 PolarHBondContact O-N 3.42Å; N159-H161 VanDerWaalsContact C-N 3.3Å; N159-H161 PolarHBondContact O-N 3.08Å; N159-Q162 PolarHBondContact O-N 3.3Å; N159-V163 WeakPolarHBondContact O-CG2 3.4Å; N159-V163 PolarHBondContact O-N 2.93Å |
| 160 | E | 64.8 | Low | 62.2 | Low | 140 Ų | 140 | 88.1 Ų | 88.1 | 65% | 0.654 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -40.7 | 173.3 | -168.5 | -174 | 102.5 | 0 | 0 | 111.2 | P156 I157 V163 L164 | P156-E160 PolarHBondContact O-N 2.9Å; I157-E160 PolarHBondContact O-N 3.42Å; E160-V163 PolarHBondContact O-N 2.97Å; E160-L164 PolarHBondContact O-N 3.29Å |
| 161 | H | 71.3 | Confident | 61.3 | Low | 46 Ų | 46 | 86.8 Ų | 86.8 | 21% | 0.213 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -63.2 | -40.8 | 175.3 | 177.5 | 79.9 | 0 | 0 | 0 | 112.4 | C149 L153 I157 L158 N159 V163 L164 C165 | C149-H161 PolarHBondContact SG-NE2 3.36Å; L153-H161 HydrophobicContact CD1-CB 3.8Å; I157-H161 WeakPolarHBondContact O-CB 3.4Å; I157-H161 PolarHBondContact O-N 3.06Å; L158-H161 PolarHBondContact O-N 3.1Å; N159-H161 VanDerWaalsContact C-N 3.3Å; N159-H161 PolarHBondContact O-N 3.08Å; H161-V163 VanDerWaalsContact C-N 3.27Å; H161-V163 PolarHBondContact O-N 3.48Å; H161-L164 CarbonylContact O-C 3.58Å; H161-L164 PolarHBondContact O-N 3.45Å; H161-C165 WeakPolarHBondContact O-CA 3.44Å; H161-C165 WeakPolarHBondContact O-CB 3.28Å; H161-C165 PolarHBondContact O-N 3.47Å |
| 162 | Q | 67.5 | Low | 59.9 | Low | 90 Ų | 90 | 88 Ų | 88 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -35.1 | 178.6 | -84 | 175 | 75.6 | 0 | 0 | 112.5 | L158 N159 | L158-Q162 HydrophobicContact CG-CG 4.49Å; L158-Q162 WeakPolarHBondContact O-CB 3.05Å; L158-Q162 VanDerWaalsContact O-CG 3.27Å; L158-Q162 WeakPolarHBondContact O-CG 3.19Å; L158-Q162 PolarHBondContact O-N 3.37Å; L158-Q162 PolarHBondContact O-NE2 2.82Å; N159-Q162 PolarHBondContact O-N 3.3Å |
| 163 | V | 64.2 | Low | 58.6 | Low | 114 Ų | 114 | 90.9 Ų | 90.9 | 69% | 0.691 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.2 | -36.2 | 177.7 | 177.8 | 0 | 0 | 0 | 0 | 111.3 | N159 E160 H161 | N159-V163 WeakPolarHBondContact O-CG2 3.4Å; N159-V163 PolarHBondContact O-N 2.93Å; E160-V163 PolarHBondContact O-N 2.97Å; H161-V163 VanDerWaalsContact C-N 3.27Å; H161-V163 PolarHBondContact O-N 3.48Å |
| 164 | L | 60.5 | Low | 57.1 | Low | 131 Ų | 131 | 96 Ų | 96 | 69% | 0.686 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -89.2 | -21.8 | 179.6 | -64.7 | 170.3 | 0 | 0 | 0 | 113.3 | E160 H161 S166 | E160-L164 PolarHBondContact O-N 3.29Å; H161-L164 CarbonylContact O-C 3.58Å; H161-L164 PolarHBondContact O-N 3.45Å; L164-S166 PolarHBondContact O-N 3.44Å |
| 165 | C | 59.7 | Low | 55.5 | Low | 25 Ų | 25 | 99.9 Ų | 99.9 | 17% | 0.169 | 57% | 0.571 | C | S | . | * | trans | -79.2 | 69.8 | 176 | -165.3 | 0 | 0 | 0 | 0 | 109.1 | H161 | H161-C165 WeakPolarHBondContact O-CA 3.44Å; H161-C165 WeakPolarHBondContact O-CB 3.28Å; H161-C165 PolarHBondContact O-N 3.47Å | ||
| 166 | S | 54.9 | Low | 54 | Low | 91 Ų | 91 | 102.5 Ų | 102.5 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -55.5 | 145.5 | 169.4 | -67.8 | 0 | 0 | 0 | 0 | 110.1 | L164 C168 | L164-S166 PolarHBondContact O-N 3.44Å; S166-C168 PolarHBondContact O-N 3.33Å |
| 167 | P | 51.5 | Low | 52.7 | Low | 88 Ų | 88 | 108.5 Ų | 108.5 | 57% | 0.571 | 62% | 0.622 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 133.4 | -179.9 | 25.3 | -32.3 | 0 | 0 | 0 | 108.9 | I169 | P167-I169 PolarHBondContact O-N 3.38Å; P167-I169 VanDerWaalsContact O-N 3.09Å |
| 168 | C | 40.8 | Very low | 51.4 | Low | 128 Ų | 128 | 107.3 Ų | 107.3 | 87% | 0.865 | 63% | 0.629 | S | S | * | * | S | Bend | trans | -46.3 | 123.8 | 154.7 | -75.2 | 0 | 0 | 0 | 0 | 107.1 | S166 | S166-C168 PolarHBondContact O-N 3.33Š|
| 169 | I | 38.3 | Very low | 50.4 | Low | 150 Ų | 150 | 113.6 Ų | 113.6 | 77% | 0.769 | 67% | 0.668 | S | S | * | * | trans | -33.9 | 136.6 | -172.1 | -61.7 | 172.8 | 0 | 0 | 0 | 112.8 | P167 N171 | P167-I169 PolarHBondContact O-N 3.38Å; P167-I169 VanDerWaalsContact O-N 3.09Å; I169-N171 PolarHBondContact O-N 3.29Å | ||
| 170 | P | 43.6 | Very low | 49.4 | Very low | 108 Ų | 108 | 113.6 Ų | 113.6 | 70% | 0.701 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -76.5 | 96.2 | -172.3 | 32.7 | -33.6 | 0 | 0 | 0 | 110 | ||
| 171 | N | 39.5 | Very low | 48.1 | Very low | 156 Ų | 156 | 113.5 Ų | 113.5 | 83% | 0.834 | 69% | 0.688 | S | S | * | * | trans | -149.3 | 27.2 | 152.7 | -101.8 | -41.4 | 0 | 0 | 0 | 112.5 | I169 L173 | I169-N171 PolarHBondContact O-N 3.29Å; N171-L173 PolarHBondContact O-N 3.32Å | ||
| 172 | C | 40.4 | Very low | 46.5 | Very low | 114 Ų | 114 | 116.1 Ų | 116.1 | 77% | 0.77 | 71% | 0.711 | S | S | * | * | trans | -99.8 | 65.5 | 168.8 | -125.8 | 0 | 0 | 0 | 0 | 109.3 | L174 | C172-L174 PolarHBondContact O-N 3.27Š| ||
| 173 | L | 39.9 | Very low | 45.2 | Very low | 161 Ų | 161 | 117.7 Ų | 117.7 | 84% | 0.843 | 73% | 0.727 | S | S | * | * | trans | -90.5 | 30.7 | 170.5 | -119.7 | 163.1 | 0 | 0 | 0 | 111.4 | N171 | N171-L173 PolarHBondContact O-N 3.32Š| ||
| 174 | L | 42.8 | Very low | 44.3 | Very low | 144 Ų | 144 | 118.7 Ų | 118.7 | 75% | 0.754 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -146.7 | 112.8 | 171.4 | -133.2 | 67.1 | 0 | 0 | 0 | 110.5 | C172 | C172-L174 PolarHBondContact O-N 3.27Š|
| 175 | S | 44.6 | Very low | 43 | Very low | 102 Ų | 102 | 121.1 Ų | 121.1 | 71% | 0.713 | 73% | 0.733 | S | S | * | * | trans | 51.5 | 105.9 | 152.9 | 54.4 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 176 | C | 35.4 | Very low | 41.7 | Very low | 125 Ų | 125 | 126.7 Ų | 126.7 | 85% | 0.845 | 76% | 0.756 | S | S | * | * | trans | -128.6 | 69.8 | 151.6 | -82.3 | 0 | 0 | 0 | 0 | 110 | G178 | C176-G178 VanDerWaalsContact C-N 3.27Å; C176-G178 PolarHBondContact O-N 2.94Å | ||
| 177 | L | 40.7 | Very low | 40.9 | Very low | 179 Ų | 179 | 128.4 Ų | 128.4 | 94% | 0.937 | 77% | 0.765 | S | S | * | * | trans | -68.4 | 94.2 | 142.5 | -89 | 158.2 | 0 | 0 | 0 | 106.8 | ||||
| 178 | G | 45.4 | Very low | 40.3 | Very low | 55 Ų | 55 | 129.1 Ų | 129.1 | 57% | 0.567 | 77% | 0.772 | S | S | * | * | S | Bend | trans | 69.9 | 130.2 | 155 | 0 | 0 | 0 | 0 | 0 | 118.3 | C176 | C176-G178 VanDerWaalsContact C-N 3.27Å; C176-G178 PolarHBondContact O-N 2.94Å |
| 179 | T | 47 | Very low | 40.4 | Very low | 134 Ų | 134 | 128.1 Ų | 128.1 | 82% | 0.822 | 76% | 0.757 | S | S | * | * | trans | 77.3 | 127.2 | 149.2 | -5.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 180 | C | 44.5 | Very low | 40.5 | Very low | 104 Ų | 104 | 125.4 Ų | 125.4 | 70% | 0.703 | 76% | 0.757 | S | S | * | * | trans | 58.8 | 108.4 | 151 | 58.8 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 181 | C | 37.2 | Very low | 40.6 | Very low | 139 Ų | 139 | 126 Ų | 126 | 94% | 0.939 | 76% | 0.764 | S | S | * | * | trans | -138.8 | 79.6 | 131 | -97.3 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 182 | S | 38.7 | Very low | 40.9 | Very low | 100 Ų | 100 | 126.1 Ų | 126.1 | 70% | 0.699 | 76% | 0.76 | S | S | * | * | trans | -57.9 | 135.3 | 150.8 | -49.5 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 183 | V | 40.4 | Very low | 40.6 | Very low | 124 Ų | 124 | 126.7 Ų | 126.7 | 75% | 0.752 | 76% | 0.764 | S | S | * | * | S | Bend | trans | 78.9 | 125.3 | 142.7 | 177.6 | 0 | 0 | 0 | 0 | 116.5 | ||
| 184 | L | 44.8 | Very low | 41 | Very low | 134 Ų | 134 | 125.6 Ų | 125.6 | 70% | 0.702 | 76% | 0.763 | S | S | * | * | trans | 77.5 | 112 | 161.1 | -61.8 | 157.9 | 0 | 0 | 0 | 119 | ||||
| 185 | K | 32.5 | Very low | 41 | Very low | 183 Ų | 183 | 122.8 Ų | 122.8 | 80% | 0.796 | 76% | 0.761 | S | S | * | * | -141.5 | 103.9 | 126.1 | -141.5 | 105.7 | 179.9 | -168.3 | 0 | 111.2 | |||||
| 186 | H | 33.2 | Very low | 41.1 | Very low | 141 Ų | 141 | 123.3 Ų | 123.3 | 65% | 0.653 | 76% | 0.762 | S | S | * | * | trans | -49.8 | 156.1 | 160.9 | -100 | -101.4 | 0 | 0 | 0 | 112.2 | S188 | H186-S188 PolarHBondContact O-N 3.02Š| ||
| 187 | P | 37.6 | Very low | 41.7 | Very low | 128 Ų | 128 | 123.3 Ų | 123.3 | 83% | 0.831 | 76% | 0.76 | S | S | * | * | S | Bend | trans | -75.8 | 27.2 | -177 | 33 | -37.9 | 0 | 0 | 0 | 115.6 | ||
| 188 | S | 38.4 | Very low | 42.3 | Very low | 102 Ų | 102 | 121.4 Ų | 121.4 | 71% | 0.713 | 76% | 0.756 | S | S | * | * | trans | -106.4 | 7.6 | -169.7 | -166 | 0 | 0 | 0 | 0 | 116.5 | H186 | H186-S188 PolarHBondContact O-N 3.02Š| ||
| 189 | L | 43.4 | Very low | 42.5 | Very low | 107 Ų | 107 | 124 Ų | 124 | 56% | 0.56 | 76% | 0.763 | S | S | * | * | trans | -126.8 | 35.3 | -176.9 | -68.5 | 173 | 0 | 0 | 0 | 113.6 | S191 | L189-S191 PolarHBondContact O-N 2.77Š| ||
| 190 | A | 40.9 | Very low | 42.7 | Very low | 93 Ų | 93 | 123.7 Ų | 123.7 | 77% | 0.769 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -5.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||
| 191 | S | 46 | Very low | 42.9 | Very low | 121 Ų | 121 | 124.3 Ų | 124.3 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.4 | 15.6 | -169.8 | -58.2 | 0 | 0 | 0 | 0 | 116.1 | L189 | L189-S191 PolarHBondContact O-N 2.77Š|
| 192 | Q | 44.1 | Very low | 43.5 | Very low | 158 Ų | 158 | 122.3 Ų | 122.3 | 74% | 0.738 | 76% | 0.762 | S | S | * | * | trans | -120.1 | 11 | -177.3 | -73.8 | -178.6 | 54.8 | 0 | 0 | 115.6 | V194 | Q192-V194 PolarHBondContact O-N 2.86Š| ||
| 193 | C | 35.8 | Very low | 44 | Very low | 127 Ų | 127 | 123.3 Ų | 123.3 | 86% | 0.858 | 77% | 0.769 | S | S | * | * | trans | -92.4 | 90.5 | 174.6 | -63.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 194 | V | 48 | Very low | 44.5 | Very low | 138 Ų | 138 | 123.6 Ų | 123.6 | 84% | 0.836 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -88.8 | 132.1 | 161.6 | 175.8 | 0 | 0 | 0 | 0 | 108.1 | Q192 | Q192-V194 PolarHBondContact O-N 2.86Š|
| 195 | A | 42.9 | Very low | 44.8 | Very low | 84 Ų | 84 | 122.5 Ų | 122.5 | 69% | 0.694 | 77% | 0.774 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 144.1 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||
| 196 | P | 46.8 | Very low | 45.6 | Very low | 113 Ų | 113 | 121.2 Ų | 121.2 | 73% | 0.734 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -69.2 | 150.1 | 174.7 | 28.9 | -33.7 | 0 | 0 | 0 | 111.5 | ||
| 197 | P | 47.4 | Very low | 46.5 | Very low | 126 Ų | 126 | 124 Ų | 124 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | P | Polyproline II helix | trans | -72.1 | 138.6 | -179.8 | 29.6 | -32.9 | 0 | 0 | 0 | 111.5 | ||
| 198 | V | 53 | Low | 46.9 | Very low | 138 Ų | 138 | 123.9 Ų | 123.9 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | P | Polyproline II helix | trans | -73.2 | 130.8 | 177 | -146.1 | 0 | 0 | 0 | 0 | 109.3 | ||
| 199 | P | 49.8 | Very low | 47.3 | Very low | 111 Ų | 111 | 125 Ų | 125 | 72% | 0.721 | 81% | 0.812 | S | S | * | * | P | Polyproline II helix | trans | -74.1 | 147.5 | 176.2 | 29.4 | -33.3 | 0 | 0 | 0 | 111.3 | ||
| 200 | P | 52.2 | Low | 47.6 | Very low | 127 Ų | 127 | 126 Ų | 126 | 83% | 0.825 | 83% | 0.826 | S | S | * | * | P | Polyproline II helix | trans | -73.4 | 134.2 | 178.6 | 29 | -32.6 | 0 | 0 | 0 | 111.6 | A202 | P200-A202 PolarHBondContact O-N 3.36Š|
| 201 | S | 48.2 | Very low | 47.9 | Very low | 116 Ų | 116 | 127.9 Ų | 127.9 | 81% | 0.811 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 119.2 | 172.5 | 40.4 | 0 | 0 | 0 | 0 | 111.3 | S203 | S201-S203 PolarHBondContact O-N 3.23Š|
| 202 | A | 48.6 | Very low | 48.1 | Very low | 98 Ų | 98 | 128.4 Ų | 128.4 | 81% | 0.81 | 83% | 0.829 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 116.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | P200 V204 | P200-A202 PolarHBondContact O-N 3.36Å; A202-V204 PolarHBondContact O-N 3.16Å |
| 203 | S | 51 | Low | 48.3 | Very low | 121 Ų | 121 | 126.4 Ų | 126.4 | 85% | 0.846 | 84% | 0.835 | S | S | * | * | trans | -71.8 | 114.4 | 169.4 | -5.5 | 0 | 0 | 0 | 0 | 109.2 | S201 S205 | S201-S203 PolarHBondContact O-N 3.23Å; S203-S205 PolarHBondContact O-N 3.21Å | ||
| 204 | V | 49 | Very low | 49.2 | Very low | 129 Ų | 129 | 126.4 Ų | 126.4 | 78% | 0.782 | 83% | 0.833 | S | S | * | * | trans | -75.2 | 112.3 | 170.6 | 179.9 | 0 | 0 | 0 | 0 | 108.1 | A202 L206 | A202-V204 PolarHBondContact O-N 3.16Å; V204-L206 HydrophobicContact CG1-CD1 4.33Å | ||
| 205 | S | 52.6 | Low | 49.3 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 78% | 0.783 | 83% | 0.833 | S | S | * | * | trans | -89.3 | 114.8 | 171.8 | -150.1 | 0 | 0 | 0 | 0 | 108.4 | S203 | S203-S205 PolarHBondContact O-N 3.21Š| ||
| 206 | L | 49.7 | Very low | 49.9 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 82% | 0.817 | 85% | 0.845 | S | S | * | * | trans | -74.9 | 130.6 | 170.5 | -95.1 | 77.8 | 0 | 0 | 0 | 109.6 | V204 | V204-L206 HydrophobicContact CG1-CD1 4.33Š| ||
| 207 | C | 50 | Low | 50.1 | Low | 200 Ų | 200 | 130.4 Ų | 130.4 | 100% | 1.351 | 86% | 0.855 | S | S | * | * | trans | -132.3 | 0 | 157.1 | -75.4 | 0 | 0 | 0 | 0 | 107.7 |
Retrieved 207 of 207 residues in 31.2 ms
(Link to these results)