| 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 | 32.8 | Very low | 62.7 | Low | 241 Ų | 241 | 144.9 Ų | 144.9 | 100% | 1.187 | 74% | 0.735 | S | S | * | * | 0 | 107.2 | 0 | -68.9 | -156.8 | -80.5 | 0 | 0 | 107.8 | Q3 | M1-Q3 PolarHBondContact O-N 3.42Š| |||
| 2 | L | 37.7 | Very low | 65 | Low | 176 Ų | 176 | 138.5 Ų | 138.5 | 92% | 0.921 | 70% | 0.7 | S | S | * | * | trans | -72.2 | 106 | 173.2 | -79.5 | 148.1 | 0 | 0 | 0 | 106.7 | M4 | L2-M4 PolarHBondContact O-N 3.21Š| ||
| 3 | Q | 46.6 | Very low | 66.8 | Low | 176 Ų | 176 | 129.5 Ų | 129.5 | 82% | 0.822 | 65% | 0.653 | S | S | * | * | trans | -57.1 | 112.7 | 169.5 | -81.2 | 177.7 | -4.4 | 0 | 0 | 106.8 | M1 A5 | M1-Q3 PolarHBondContact O-N 3.42Å; Q3-A5 VanDerWaalsContact C-N 3.33Å; Q3-A5 PolarHBondContact O-N 3.16Å | ||
| 4 | M | 42.3 | Very low | 68.4 | Low | 182 Ų | 182 | 125.4 Ų | 125.4 | 90% | 0.897 | 63% | 0.628 | S | S | * | * | trans | -61.2 | 104.2 | 166.4 | -63.2 | -165 | 174.7 | 0 | 0 | 105.6 | L2 R6 | L2-M4 PolarHBondContact O-N 3.21Å; M4-R6 PolarHBondContact O-N 3.36Å | ||
| 5 | A | 56.7 | Low | 69.8 | Low | 85 Ų | 85 | 118.2 Ų | 118.2 | 70% | 0.702 | 59% | 0.593 | S | S | * | * | trans | -55 | 108.4 | 170.7 | 0 | 0 | 0 | 0 | 0 | 105.8 | Q3 Q7 | Q3-A5 VanDerWaalsContact C-N 3.33Å; Q3-A5 PolarHBondContact O-N 3.16Å; A5-Q7 PolarHBondContact O-N 3.47Å | ||
| 6 | R | 62.4 | Low | 70.9 | Confident | 178 Ų | 178 | 116.2 Ų | 116.2 | 67% | 0.672 | 59% | 0.594 | S | S | * | * | trans | -52.1 | 114.7 | 175.2 | -116.9 | -177.2 | 175.6 | -176.9 | -2.1 | 106 | M4 C8 F14 | M4-R6 PolarHBondContact O-N 3.36Å; R6-C8 PolarHBondContact O-N 2.98Å; R6-F14 HydrophobicContact CB-CD2 4.38Å; R6-F14 HydrophobicContact CB-CE2 4.3Å | ||
| 7 | Q | 74.4 | Confident | 72 | Confident | 197 Ų | 197 | 118.6 Ų | 118.6 | 92% | 0.921 | 61% | 0.607 | S | S | * | * | trans | -71 | 103.8 | 177.6 | -110.9 | 164.7 | -29.8 | 0 | 0 | 106.9 | A5 | A5-Q7 PolarHBondContact O-N 3.47Š| ||
| 8 | C | 84.1 | Confident | 72.9 | Confident | 32 Ų | 32 | 117.9 Ų | 117.9 | 22% | 0.216 | 60% | 0.604 | C | S | . | * | P | Polyproline II helix | trans | -67.5 | 158.5 | 172.3 | -62.9 | 0 | 0 | 0 | 0 | 110.2 | R6 E12 C21 | R6-C8 PolarHBondContact O-N 2.98Å; C8-E12 HydrophobicContact CB-CB 3.9Å; C8-C21 WeakPolarHBondContact CA-SG 3.41Å; C8-C21 HydrophobicContact CB-CB 3.79Å; C8-C21 WeakPolarHBondContact CB-SG 2.7Å; C8-C21 VanDerWaalsContact SG-CA 3.58Å; C8-C21 WeakPolarHBondContact SG-CB 2.83Å; C8-C21 CovalentContact SG-SG 2.04Å; C8-C21 PolarHBondContact SG-SG 3.38Å |
| 9 | S | 85.1 | Confident | 73.7 | Confident | 70 Ų | 70 | 118.3 Ų | 118.3 | 49% | 0.49 | 60% | 0.603 | S | S | . | * | P | Polyproline II helix | trans | -72.1 | 173.4 | -178.8 | 77.2 | 0 | 0 | 0 | 0 | 111.8 | N11 E12 | S9-N11 PolarHBondContact O-N 3.21Å; S9-E12 WeakPolarHBondContact CB-OE2 3.47Å; S9-E12 PolarHBondContact N-OE2 3.09Å; S9-E12 PolarHBondContact O-N 3.04Å; S9-E12 VanDerWaalsContact O-N 3.15Å; S9-E12 PolarHBondContact OG-OE1 3.19Å; S9-E12 PolarHBondContact OG-OE2 3.24Å |
| 10 | Q | 82.5 | Confident | 74.6 | Confident | 177 Ų | 177 | 115.7 Ų | 115.7 | 83% | 0.827 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.2 | 131.8 | -177.9 | -164.7 | 166.9 | 10.4 | 0 | 0 | 110.7 | E12 | Q10-E12 VanDerWaalsContact C-N 3.34Š|
| 11 | N | 85.2 | Confident | 75.3 | Confident | 80 Ų | 80 | 111.6 Ų | 111.6 | 43% | 0.428 | 57% | 0.572 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 72.2 | 19.5 | -172.8 | -43.8 | -48.6 | 0 | 0 | 0 | 115.4 | S9 C24 Y39 | S9-N11 PolarHBondContact O-N 3.21Å; N11-C24 VanDerWaalsContact O-CB 3.25Å; N11-C24 WeakPolarHBondContact O-CB 3.23Å; N11-C24 PolarHBondContact O-N 2.73Å; N11-C24 PolarHBondContact O-SG 2.83Å; N11-Y39 HydrophobicContact CB-CD2 3.73Å; N11-Y39 HydrophobicContact CB-CE2 4.01Å; N11-Y39 HydrophobicContact CB-CG 4.22Å; N11-Y39 WeakPolarHBondContact OD1-CD2 3.27Å |
| 12 | E | 89.8 | Confident | 78.1 | Confident | 68 Ų | 68 | 102.8 Ų | 102.8 | 32% | 0.318 | 53% | 0.527 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 158.1 | 167.8 | -64.5 | 176.9 | 158.7 | 0 | 0 | 110.9 | C8 S9 Q10 K22 | C8-E12 HydrophobicContact CB-CB 3.9Å; S9-E12 WeakPolarHBondContact CB-OE2 3.47Å; S9-E12 PolarHBondContact N-OE2 3.09Å; S9-E12 PolarHBondContact O-N 3.04Å; S9-E12 VanDerWaalsContact O-N 3.15Å; S9-E12 PolarHBondContact OG-OE1 3.19Å; S9-E12 PolarHBondContact OG-OE2 3.24Å; Q10-E12 VanDerWaalsContact C-N 3.34Å; E12-K22 CarbonylContact C-O 3.53Å; E12-K22 VanDerWaalsContact CA-O 3.25Å; E12-K22 WeakPolarHBondContact CA-O 2.89Å; E12-K22 WeakPolarHBondContact CB-O 3.23Å |
| 13 | Y | 88.4 | Confident | 80.7 | Confident | 22 Ų | 22 | 97.2 Ų | 97.2 | 9% | 0.086 | 50% | 0.501 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 149.8 | 170.8 | 74.7 | -76.5 | 0 | 0 | 0 | 109.8 | D15 K22 R27 P33 | Y13-D15 HydrophobicContact CE2-CB 4.11Å; Y13-K22 HydrophobicContact CD1-CB 4.3Å; Y13-K22 WeakPolarHBondContact CD1-O 3.43Å; Y13-K22 HydrophobicContact CE1-CB 3.67Å; Y13-K22 PolarHBondContact N-O 3.41Å; Y13-K22 PolarHBondContact O-N 3.48Å; Y13-R27 HydrophobicContact CE1-CG 3.68Å; Y13-R27 HydrophobicContact CE2-CG 4.5Å; Y13-R27 PolarHBondContact OH-NE 3.29Å; Y13-P33 HydrophobicContact CD2-CG 3.97Å; Y13-P33 HydrophobicContact CE2-CG 4.45Å; Y13-P33 HydrophobicContact CG-CG 4.07Å |
| 14 | F | 89.9 | Confident | 82.8 | Confident | 71 Ų | 71 | 88.8 Ų | 88.8 | 31% | 0.311 | 46% | 0.462 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.1 | 123 | 174.7 | -174.4 | -103.9 | 0 | 0 | 0 | 109.6 | R6 H19 | R6-F14 HydrophobicContact CB-CD2 4.38Å; R6-F14 HydrophobicContact CB-CE2 4.3Å; F14-H19 HydrophobicContact CZ-CB 4.41Å |
| 15 | D | 89.8 | Confident | 85 | Confident | 18 Ų | 18 | 86.2 Ų | 86.2 | 10% | 0.096 | 45% | 0.448 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 108.7 | 173 | -167.1 | -51.1 | 0 | 0 | 0 | 109.2 | Y13 L17 L18 H19 D20 K22 R27 | Y13-D15 HydrophobicContact CE2-CB 4.11Å; D15-L17 PolarHBondContact O-N 2.9Å; D15-L17 WeakPolarHBondContact OD1-CA 3.26Å; D15-L17 VanDerWaalsContact OD1-CB 3.27Å; D15-L17 WeakPolarHBondContact OD1-CB 3.12Å; D15-L17 PolarHBondContact OD1-N 3.4Å; D15-L18 HydrophobicContact CB-CB 4.31Å; D15-L18 PolarHBondContact O-N 3.41Å; D15-L18 PolarHBondContact OD1-N 3.1Å; D15-H19 VanDerWaalsContact O-CA 3.32Å; D15-H19 WeakPolarHBondContact O-CA 2.88Å; D15-H19 PolarHBondContact O-N 3.42Å; D15-D20 PolarHBondContact N-O 2.83Å; D15-D20 PolarHBondContact O-N 3.13Å; D15-K22 HydrophobicContact CB-CG 4.16Å; D15-R27 IonicContact OD2-NH2 3.64Å |
| 16 | S | 87.4 | Confident | 86.5 | Confident | 86 Ų | 86 | 87.8 Ų | 87.8 | 60% | 0.601 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | -21.2 | -178.6 | -56.1 | 0 | 0 | 0 | 0 | 113.8 | ||
| 17 | L | 88.9 | Confident | 87.8 | Confident | 157 Ų | 157 | 84 Ų | 84 | 82% | 0.822 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.6 | -40.6 | 177.6 | -177.2 | 65.7 | 0 | 0 | 0 | 110.6 | D15 | D15-L17 PolarHBondContact O-N 2.9Å; D15-L17 WeakPolarHBondContact OD1-CA 3.26Å; D15-L17 VanDerWaalsContact OD1-CB 3.27Å; D15-L17 WeakPolarHBondContact OD1-CB 3.12Å; D15-L17 PolarHBondContact OD1-N 3.4Å |
| 18 | L | 88.3 | Confident | 88.4 | Confident | 106 Ų | 106 | 76 Ų | 76 | 56% | 0.555 | 39% | 0.394 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.2 | -7.5 | 179.6 | -65.1 | 169.7 | 0 | 0 | 0 | 113.2 | D15 D20 | D15-L18 HydrophobicContact CB-CB 4.31Å; D15-L18 PolarHBondContact O-N 3.41Å; D15-L18 PolarHBondContact OD1-N 3.1Å; L18-D20 HydrophobicContact CB-CB 4.37Å; L18-D20 PolarHBondContact O-N 3.4Å |
| 19 | H | 87.6 | Confident | 88.4 | Confident | 125 Ų | 125 | 80 Ų | 80 | 58% | 0.579 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 49.6 | 36.8 | -172.4 | -74.2 | -76.9 | 0 | 0 | 0 | 113.5 | F14 D15 | F14-H19 HydrophobicContact CZ-CB 4.41Å; D15-H19 VanDerWaalsContact O-CA 3.32Å; D15-H19 WeakPolarHBondContact O-CA 2.88Å; D15-H19 PolarHBondContact O-N 3.42Å |
| 20 | D | 91.6 | Very high | 88.4 | Confident | 66 Ų | 66 | 80.5 Ų | 80.5 | 35% | 0.353 | 43% | 0.426 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.8 | 157.9 | -170.8 | -168.8 | 25.7 | 0 | 0 | 0 | 112.3 | D15 L18 K22 | D15-D20 PolarHBondContact N-O 2.83Å; D15-D20 PolarHBondContact O-N 3.13Å; L18-D20 HydrophobicContact CB-CB 4.37Å; L18-D20 PolarHBondContact O-N 3.4Å; D20-K22 IonicContact OD2-NZ 2.76Å; D20-K22 PolarHBondContact OD2-NZ 3.29Å |
| 21 | C | 90.4 | Very high | 88.4 | Confident | 30 Ų | 30 | 78.4 Ų | 78.4 | 20% | 0.203 | 43% | 0.426 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.4 | 127.1 | 176.4 | -65.7 | 0 | 0 | 0 | 0 | 110.2 | C8 | C8-C21 WeakPolarHBondContact CA-SG 3.41Å; C8-C21 HydrophobicContact CB-CB 3.79Å; C8-C21 WeakPolarHBondContact CB-SG 2.7Å; C8-C21 VanDerWaalsContact SG-CA 3.58Å; C8-C21 WeakPolarHBondContact SG-CB 2.83Å; C8-C21 CovalentContact SG-SG 2.04Å; C8-C21 PolarHBondContact SG-SG 3.38Å |
| 22 | K | 91.1 | Very high | 88.4 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 24% | 0.243 | 42% | 0.419 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.7 | 147 | 179 | -64.4 | -56.3 | -178.8 | -149.5 | 0 | 111.5 | E12 Y13 D15 D20 | E12-K22 CarbonylContact C-O 3.53Å; E12-K22 VanDerWaalsContact CA-O 3.25Å; E12-K22 WeakPolarHBondContact CA-O 2.89Å; E12-K22 WeakPolarHBondContact CB-O 3.23Å; Y13-K22 HydrophobicContact CD1-CB 4.3Å; Y13-K22 WeakPolarHBondContact CD1-O 3.43Å; Y13-K22 HydrophobicContact CE1-CB 3.67Å; Y13-K22 PolarHBondContact N-O 3.41Å; Y13-K22 PolarHBondContact O-N 3.48Å; D15-K22 HydrophobicContact CB-CG 4.16Å; D20-K22 IonicContact OD2-NZ 2.76Å; D20-K22 PolarHBondContact OD2-NZ 3.29Å |
| 23 | P | 91.9 | Very high | 88.3 | Confident | 59 Ų | 59 | 75.4 Ų | 75.4 | 38% | 0.383 | 42% | 0.417 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.1 | 139.9 | -179.7 | 26.3 | -32.6 | 0 | 0 | 0 | 111.7 | Q25 L26 | P23-Q25 PolarHBondContact O-N 2.67Å; P23-L26 HydrophobicContact CG-CD1 3.8Å; P23-L26 HydrophobicContact CG-CG 4.04Å; P23-L26 PolarHBondContact O-N 3.09Å |
| 24 | C | 90.5 | Very high | 88.1 | Confident | 0 Ų | 0 | 81.8 Ų | 81.8 | 0% | 0 | 45% | 0.451 | C | S | . | . | G | 310 helix | trans | -60.6 | -28.1 | -179.8 | -75.5 | 0 | 0 | 0 | 0 | 113.6 | N11 L26 R27 C28 C36 Y39 | N11-C24 VanDerWaalsContact O-CB 3.25Å; N11-C24 WeakPolarHBondContact O-CB 3.23Å; N11-C24 PolarHBondContact O-N 2.73Å; N11-C24 PolarHBondContact O-SG 2.83Å; C24-L26 PolarHBondContact O-N 3.44Å; C24-L26 VanDerWaalsContact O-N 3.13Å; C24-R27 PolarHBondContact O-N 3.46Å; C24-C28 PolarHBondContact O-N 2.82Å; C24-C28 PolarHBondContact O-SG 3.48Å; C24-C28 VanDerWaalsContact O-SG 3.33Å; C24-C36 WeakPolarHBondContact CA-SG 3.33Å; C24-C36 HydrophobicContact CB-CB 3.5Å; C24-C36 WeakPolarHBondContact CB-SG 3.35Å; C24-C36 WeakPolarHBondContact SG-CA 3.37Å; C24-C36 WeakPolarHBondContact SG-CB 3.37Å; C24-C36 CovalentContact SG-SG 2.03Å; C24-C36 PolarHBondContact SG-SG 3.45Å; C24-Y39 HydrophobicContact CB-CD1 3.79Å; C24-Y39 HydrophobicContact CB-CE1 4.36Å; C24-Y39 HydrophobicContact CB-CG 4.31Å |
| 25 | Q | 88.6 | Confident | 87.9 | Confident | 128 Ų | 128 | 83.5 Ų | 83.5 | 60% | 0.598 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -54.4 | -33.6 | -179.4 | -170.3 | 174.5 | 1.8 | 0 | 0 | 112.9 | P23 R27 C28 Y39 | P23-Q25 PolarHBondContact O-N 2.67Å; Q25-R27 PolarHBondContact O-N 3.1Å; Q25-C28 PolarHBondContact O-N 3.35Å; Q25-Y39 HydrophobicContact CB-CE1 4.08Å |
| 26 | L | 88.9 | Confident | 87.9 | Confident | 118 Ų | 118 | 82.7 Ų | 82.7 | 62% | 0.618 | 46% | 0.464 | S | S | * | . | G | 310 helix | trans | -66.8 | -23 | 179.6 | -62.2 | 174.2 | 0 | 0 | 0 | 113.4 | P23 C24 | P23-L26 HydrophobicContact CG-CD1 3.8Å; P23-L26 HydrophobicContact CG-CG 4.04Å; P23-L26 PolarHBondContact O-N 3.09Å; C24-L26 PolarHBondContact O-N 3.44Å; C24-L26 VanDerWaalsContact O-N 3.13Å |
| 27 | R | 88.4 | Confident | 88 | Confident | 99 Ų | 99 | 83.2 Ų | 83.2 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | G | 310 helix | trans | -102.4 | -6 | -177.9 | -66.3 | -69.1 | -170.8 | 163.3 | 0.3 | 113.1 | Y13 D15 C24 Q25 S29 S30 P32 | Y13-R27 HydrophobicContact CE1-CG 3.68Å; Y13-R27 HydrophobicContact CE2-CG 4.5Å; Y13-R27 PolarHBondContact OH-NE 3.29Å; D15-R27 IonicContact OD2-NH2 3.64Å; C24-R27 PolarHBondContact O-N 3.46Å; Q25-R27 PolarHBondContact O-N 3.1Å; R27-S29 PolarHBondContact O-N 3.34Å; R27-S30 CarbonylContact O-C 3.43Å; R27-S30 PolarHBondContact O-N 3.35Å; R27-P32 HydrophobicContact CB-CB 4.48Å |
| 28 | C | 88.8 | Confident | 87.9 | Confident | 27 Ų | 27 | 86.2 Ų | 86.2 | 18% | 0.182 | 46% | 0.457 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68 | -20.8 | -178.1 | -62.5 | 0 | 0 | 0 | 0 | 113.9 | C24 Q25 S30 C40 | C24-C28 PolarHBondContact O-N 2.82Å; C24-C28 PolarHBondContact O-SG 3.48Å; C24-C28 VanDerWaalsContact O-SG 3.33Å; Q25-C28 PolarHBondContact O-N 3.35Å; C28-S30 VanDerWaalsContact C-N 3.33Å; C28-C40 WeakPolarHBondContact CA-SG 3.42Å; C28-C40 HydrophobicContact CB-CB 3.66Å; C28-C40 WeakPolarHBondContact CB-SG 3.35Å; C28-C40 WeakPolarHBondContact SG-CA 3.4Å; C28-C40 WeakPolarHBondContact SG-CB 3.24Å; C28-C40 CovalentContact SG-SG 2.04Å; C28-C40 PolarHBondContact SG-SG 2.95Å |
| 29 | S | 84.1 | Confident | 88 | Confident | 118 Ų | 118 | 84.5 Ų | 84.5 | 83% | 0.825 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.9 | -7.5 | 173.2 | -54.3 | 0 | 0 | 0 | 0 | 113.5 | R27 | R27-S29 PolarHBondContact O-N 3.34Š|
| 30 | S | 83.8 | Confident | 88 | Confident | 79 Ų | 79 | 78.9 Ų | 78.9 | 55% | 0.552 | 42% | 0.418 | S | S | * | . | S | Bend | trans | -123.7 | -168.8 | 178.3 | -57.8 | 0 | 0 | 0 | 0 | 109.6 | R27 C28 P32 | R27-S30 CarbonylContact O-C 3.43Å; R27-S30 PolarHBondContact O-N 3.35Å; C28-S30 VanDerWaalsContact C-N 3.33Å; S30-P32 WeakPolarHBondContact O-CD 3.27Å |
| 31 | T | 83.4 | Confident | 87.8 | Confident | 134 Ų | 134 | 80.1 Ų | 80.1 | 82% | 0.822 | 43% | 0.425 | S | S | * | . | trans | -69.8 | 107.5 | 171.5 | -47.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 32 | P | 85.8 | Confident | 87.5 | Confident | 42 Ų | 42 | 80.9 Ų | 80.9 | 27% | 0.273 | 43% | 0.434 | S | S | . | . | trans | -79.4 | 151.7 | -172.8 | 32.6 | -31.9 | 0 | 0 | 0 | 111 | R27 S30 C36 | R27-P32 HydrophobicContact CB-CB 4.48Å; S30-P32 WeakPolarHBondContact O-CD 3.27Å; P32-C36 HydrophobicContact CB-CB 4.23Å | ||
| 33 | P | 85.7 | Confident | 86.9 | Confident | 42 Ų | 42 | 80.8 Ų | 80.8 | 27% | 0.273 | 44% | 0.44 | S | S | . | . | trans | -57.8 | 152.6 | 166.8 | -20.4 | 31 | 0 | 0 | 0 | 111.4 | Y13 T35 C36 Q37 | Y13-P33 HydrophobicContact CD2-CG 3.97Å; Y13-P33 HydrophobicContact CE2-CG 4.45Å; Y13-P33 HydrophobicContact CG-CG 4.07Å; P33-T35 PolarHBondContact O-N 2.79Å; P33-T35 VanDerWaalsContact O-N 3.15Å; P33-C36 WeakPolarHBondContact O-CA 3.44Å; P33-C36 WeakPolarHBondContact O-CB 3.35Å; P33-C36 PolarHBondContact O-N 3.38Å; P33-Q37 PolarHBondContact O-N 2.71Å | ||
| 34 | L | 85.9 | Confident | 86 | Confident | 156 Ų | 156 | 84 Ų | 84 | 82% | 0.817 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -57.2 | -34.9 | -176 | -138 | 125.9 | 0 | 0 | 0 | 112.9 | C36 Q37 | L34-C36 VanDerWaalsContact C-N 3.29Å; L34-C36 PolarHBondContact O-N 3.38Å; L34-Q37 PolarHBondContact O-N 2.86Å |
| 35 | T | 85.7 | Confident | 85.1 | Confident | 108 Ų | 108 | 88.3 Ų | 88.3 | 66% | 0.663 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -65 | -30.1 | 175.4 | 51.4 | 0 | 0 | 0 | 0 | 113.2 | P33 | P33-T35 PolarHBondContact O-N 2.79Å; P33-T35 VanDerWaalsContact O-N 3.15Å |
| 36 | C | 89.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 87.4 Ų | 87.4 | 0% | 0 | 48% | 0.477 | C | S | . | . | H | α-helix | trans | -91.9 | -13.3 | -177.7 | -66.9 | 0 | 0 | 0 | 0 | 113.7 | C24 P32 P33 L34 R38 Y39 C40 | C24-C36 WeakPolarHBondContact CA-SG 3.33Å; C24-C36 HydrophobicContact CB-CB 3.5Å; C24-C36 WeakPolarHBondContact CB-SG 3.35Å; C24-C36 WeakPolarHBondContact SG-CA 3.37Å; C24-C36 WeakPolarHBondContact SG-CB 3.37Å; C24-C36 CovalentContact SG-SG 2.03Å; C24-C36 PolarHBondContact SG-SG 3.45Å; P32-C36 HydrophobicContact CB-CB 4.23Å; P33-C36 WeakPolarHBondContact O-CA 3.44Å; P33-C36 WeakPolarHBondContact O-CB 3.35Å; P33-C36 PolarHBondContact O-N 3.38Å; L34-C36 VanDerWaalsContact C-N 3.29Å; L34-C36 PolarHBondContact O-N 3.38Å; C36-R38 PolarHBondContact O-N 2.85Å; C36-Y39 WeakPolarHBondContact O-CB 3.42Å; C36-Y39 PolarHBondContact O-N 3.44Å; C36-Y39 VanDerWaalsContact O-N 3.13Å; C36-C40 PolarHBondContact O-N 3.32Å; C36-C40 PolarHBondContact O-SG 2.9Å; C36-C40 VanDerWaalsContact O-SG 3.38Å |
| 37 | Q | 88.8 | Confident | 83.3 | Confident | 97 Ų | 97 | 85.1 Ų | 85.1 | 45% | 0.453 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -58.8 | -44.1 | -173.1 | -172.8 | 175.9 | -0.8 | 0 | 0 | 112.7 | P33 L34 Y39 C40 N41 | P33-Q37 PolarHBondContact O-N 2.71Å; L34-Q37 PolarHBondContact O-N 2.86Å; Q37-Y39 VanDerWaalsContact C-N 3.33Å; Q37-Y39 PolarHBondContact O-N 3.41Å; Q37-C40 PolarHBondContact O-N 3.14Å; Q37-N41 WeakPolarHBondContact O-CB 3.21Å; Q37-N41 PolarHBondContact O-N 2.98Å; Q37-N41 PolarHBondContact O-ND2 3.43Å |
| 38 | R | 87.5 | Confident | 82.4 | Confident | 221 Ų | 221 | 84.2 Ų | 84.2 | 83% | 0.834 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -60.9 | -42.6 | 177.8 | -178.5 | -176.8 | -106.8 | 157.4 | -5.8 | 111.7 | C36 A42 | C36-R38 PolarHBondContact O-N 2.85Å; R38-A42 WeakPolarHBondContact O-CB 3.29Å; R38-A42 PolarHBondContact O-N 3.2Å; R38-A42 VanDerWaalsContact O-N 3.12Å |
| 39 | Y | 88.7 | Confident | 81.6 | Confident | 70 Ų | 70 | 90.5 Ų | 90.5 | 28% | 0.275 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65 | -48.5 | 178.8 | 176.5 | -92.6 | 0 | 0 | 0 | 111.3 | N11 C24 Q25 C36 Q37 N41 A42 S43 | N11-Y39 HydrophobicContact CB-CD2 3.73Å; N11-Y39 HydrophobicContact CB-CE2 4.01Å; N11-Y39 HydrophobicContact CB-CG 4.22Å; N11-Y39 WeakPolarHBondContact OD1-CD2 3.27Å; C24-Y39 HydrophobicContact CB-CD1 3.79Å; C24-Y39 HydrophobicContact CB-CE1 4.36Å; C24-Y39 HydrophobicContact CB-CG 4.31Å; Q25-Y39 HydrophobicContact CB-CE1 4.08Å; C36-Y39 WeakPolarHBondContact O-CB 3.42Å; C36-Y39 PolarHBondContact O-N 3.44Å; C36-Y39 VanDerWaalsContact O-N 3.13Å; Q37-Y39 VanDerWaalsContact C-N 3.33Å; Q37-Y39 PolarHBondContact O-N 3.41Å; Y39-N41 PolarHBondContact O-N 3.38Å; Y39-A42 PolarHBondContact O-N 2.86Å; Y39-S43 PolarHBondContact O-N 2.82Å |
| 40 | C | 88.6 | Confident | 80.8 | Confident | 7 Ų | 7 | 86.4 Ų | 86.4 | 5% | 0.047 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -63.9 | -40.4 | -179.4 | -63.7 | 0 | 0 | 0 | 0 | 112.6 | C28 C36 Q37 S43 M44 | C28-C40 WeakPolarHBondContact CA-SG 3.42Å; C28-C40 HydrophobicContact CB-CB 3.66Å; C28-C40 WeakPolarHBondContact CB-SG 3.35Å; C28-C40 WeakPolarHBondContact SG-CA 3.4Å; C28-C40 WeakPolarHBondContact SG-CB 3.24Å; C28-C40 CovalentContact SG-SG 2.04Å; C28-C40 PolarHBondContact SG-SG 2.95Å; C36-C40 PolarHBondContact O-N 3.32Å; C36-C40 PolarHBondContact O-SG 2.9Å; C36-C40 VanDerWaalsContact O-SG 3.38Å; Q37-C40 PolarHBondContact O-N 3.14Å; C40-S43 PolarHBondContact O-N 2.93Å; C40-M44 PolarHBondContact O-N 2.95Å |
| 41 | N | 87.3 | Confident | 80.5 | Confident | 92 Ų | 92 | 88 Ų | 88 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 176.1 | -71.2 | -10.8 | 0 | 0 | 0 | 111.7 | Q37 Y39 S43 M44 T45 | Q37-N41 WeakPolarHBondContact O-CB 3.21Å; Q37-N41 PolarHBondContact O-N 2.98Å; Q37-N41 PolarHBondContact O-ND2 3.43Å; Y39-N41 PolarHBondContact O-N 3.38Å; N41-S43 VanDerWaalsContact C-N 3.33Å; N41-S43 PolarHBondContact O-N 3.28Å; N41-M44 PolarHBondContact O-N 3.3Å; N41-T45 WeakPolarHBondContact O-CG2 3.3Å; N41-T45 PolarHBondContact O-N 3.41Å; N41-T45 VanDerWaalsContact O-N 3.16Å; N41-T45 PolarHBondContact O-OG1 3.45Å |
| 42 | A | 84.8 | Confident | 80.3 | Confident | 46 Ų | 46 | 86.1 Ų | 86.1 | 38% | 0.38 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65.3 | -36 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | R38 Y39 T45 N46 | R38-A42 WeakPolarHBondContact O-CB 3.29Å; R38-A42 PolarHBondContact O-N 3.2Å; R38-A42 VanDerWaalsContact O-N 3.12Å; Y39-A42 PolarHBondContact O-N 2.86Å; A42-T45 PolarHBondContact O-OG1 2.97Å; A42-N46 PolarHBondContact O-N 3.27Å; A42-N46 PolarHBondContact O-ND2 3.42Å |
| 43 | S | 78.8 | Confident | 80.2 | Confident | 53 Ų | 53 | 86.8 Ų | 86.8 | 37% | 0.371 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.3 | -43.7 | 176.2 | -171.5 | 0 | 0 | 0 | 0 | 111.9 | Y39 C40 N41 S47 | Y39-S43 PolarHBondContact O-N 2.82Å; C40-S43 PolarHBondContact O-N 2.93Å; N41-S43 VanDerWaalsContact C-N 3.33Å; N41-S43 PolarHBondContact O-N 3.28Å; S43-S47 PolarHBondContact O-N 3.49Å; S43-S47 VanDerWaalsContact O-N 3.11Å |
| 44 | M | 72.6 | Confident | 80.1 | Confident | 127 Ų | 127 | 89.8 Ų | 89.8 | 63% | 0.626 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.8 | -40.6 | 179 | -81.3 | -150.8 | 167.7 | 0 | 0 | 112.7 | C40 N41 N46 S47 V48 | C40-M44 PolarHBondContact O-N 2.95Å; N41-M44 PolarHBondContact O-N 3.3Å; M44-N46 VanDerWaalsContact C-N 3.33Å; M44-N46 PolarHBondContact O-N 2.9Å; M44-S47 PolarHBondContact O-N 3.28Å; M44-V48 WeakPolarHBondContact O-CG2 3.38Å; M44-V48 PolarHBondContact O-N 2.98Å |
| 45 | T | 71.4 | Confident | 80.3 | Confident | 91 Ų | 91 | 87 Ų | 87 | 56% | 0.558 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -65.3 | -37.6 | 179.7 | 55.1 | 0 | 0 | 0 | 0 | 112.2 | N41 A42 K49 | N41-T45 WeakPolarHBondContact O-CG2 3.3Å; N41-T45 PolarHBondContact O-N 3.41Å; N41-T45 VanDerWaalsContact O-N 3.16Å; N41-T45 PolarHBondContact O-OG1 3.45Å; A42-T45 PolarHBondContact O-OG1 2.97Å; T45-K49 VanDerWaalsContact O-CB 3.28Å; T45-K49 WeakPolarHBondContact O-CB 3.49Å; T45-K49 PolarHBondContact O-N 2.94Å |
| 46 | N | 69.3 | Low | 80.5 | Confident | 109 Ų | 109 | 91.6 Ų | 91.6 | 58% | 0.583 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -66 | -41.1 | 173.8 | -72.4 | -44.4 | 0 | 0 | 0 | 112.1 | A42 M44 K49 G50 | A42-N46 PolarHBondContact O-N 3.27Å; A42-N46 PolarHBondContact O-ND2 3.42Å; M44-N46 VanDerWaalsContact C-N 3.33Å; M44-N46 PolarHBondContact O-N 2.9Å; N46-K49 PolarHBondContact O-N 3.42Å; N46-G50 PolarHBondContact O-N 2.93Å |
| 47 | S | 69.3 | Low | 80.6 | Confident | 69 Ų | 69 | 95.9 Ų | 95.9 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -46.4 | 177.6 | -169.2 | 0 | 0 | 0 | 0 | 112.2 | S43 M44 K49 G50 M51 | S43-S47 PolarHBondContact O-N 3.49Å; S43-S47 VanDerWaalsContact O-N 3.11Å; M44-S47 PolarHBondContact O-N 3.28Å; S47-K49 VanDerWaalsContact C-N 3.33Å; S47-K49 PolarHBondContact O-N 3.46Å; S47-G50 PolarHBondContact O-N 2.7Å; S47-M51 PolarHBondContact O-N 2.68Å |
| 48 | V | 71.2 | Confident | 80.7 | Confident | 80 Ų | 80 | 94.8 Ų | 94.8 | 49% | 0.485 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.1 | -39.7 | 178.5 | 174.5 | 0 | 0 | 0 | 0 | 110.8 | M44 G50 M51 N52 | M44-V48 WeakPolarHBondContact O-CG2 3.38Å; M44-V48 PolarHBondContact O-N 2.98Å; V48-G50 PolarHBondContact O-N 2.92Å; V48-M51 PolarHBondContact O-N 3.35Å; V48-N52 WeakPolarHBondContact O-CB 3.29Å; V48-N52 PolarHBondContact O-N 3.36Å; V48-N52 PolarHBondContact O-ND2 2.97Å |
| 49 | K | 70.2 | Confident | 81 | Confident | 159 Ų | 159 | 89.9 Ų | 89.9 | 69% | 0.691 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.7 | -40.3 | 176.5 | -171 | 170.8 | -176.2 | 176 | 0 | 112.2 | T45 N46 S47 A53 | T45-K49 VanDerWaalsContact O-CB 3.28Å; T45-K49 WeakPolarHBondContact O-CB 3.49Å; T45-K49 PolarHBondContact O-N 2.94Å; N46-K49 PolarHBondContact O-N 3.42Å; S47-K49 VanDerWaalsContact C-N 3.33Å; S47-K49 PolarHBondContact O-N 3.46Å; K49-A53 PolarHBondContact O-N 3.49Å |
| 50 | G | 69.1 | Low | 81.2 | Confident | 32 Ų | 32 | 88.2 Ų | 88.2 | 33% | 0.33 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -47.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N46 S47 V48 N52 A53 I54 | N46-G50 PolarHBondContact O-N 2.93Å; S47-G50 PolarHBondContact O-N 2.7Å; V48-G50 PolarHBondContact O-N 2.92Å; G50-N52 PolarHBondContact O-N 3.35Å; G50-A53 PolarHBondContact O-N 2.99Å; G50-I54 WeakPolarHBondContact O-CD1 3.25Å; G50-I54 VanDerWaalsContact O-CG1 3.25Å; G50-I54 WeakPolarHBondContact O-CG1 3.42Å; G50-I54 PolarHBondContact O-N 3.11Å |
| 51 | M | 77.4 | Confident | 81.5 | Confident | 112 Ų | 112 | 93.2 Ų | 93.2 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -41.7 | 178.4 | -77.4 | 167 | 62.1 | 0 | 0 | 112.5 | S47 V48 A53 I54 L55 | S47-M51 PolarHBondContact O-N 2.68Å; V48-M51 PolarHBondContact O-N 3.35Å; M51-A53 PolarHBondContact O-N 2.93Å; M51-I54 PolarHBondContact O-N 3.33Å; M51-L55 WeakPolarHBondContact O-CB 3.42Å; M51-L55 WeakPolarHBondContact O-CD1 3.27Å; M51-L55 WeakPolarHBondContact O-CG 3.46Å; M51-L55 PolarHBondContact O-N 3.15Å |
| 52 | N | 78.3 | Confident | 81.9 | Confident | 96 Ų | 96 | 92.2 Ų | 92.2 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.1 | -39.9 | 178.5 | -69.6 | -21.8 | 0 | 0 | 0 | 112.3 | V48 G50 W56 | V48-N52 WeakPolarHBondContact O-CB 3.29Å; V48-N52 PolarHBondContact O-N 3.36Å; V48-N52 PolarHBondContact O-ND2 2.97Å; G50-N52 PolarHBondContact O-N 3.35Å; N52-W56 WeakPolarHBondContact O-CB 3.36Å; N52-W56 PolarHBondContact O-N 3.48Å; N52-W56 VanDerWaalsContact O-N 3.08Å |
| 53 | A | 82.9 | Confident | 82.5 | Confident | 56 Ų | 56 | 96 Ų | 96 | 46% | 0.463 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | K49 G50 M51 W56 T57 | K49-A53 PolarHBondContact O-N 3.49Å; G50-A53 PolarHBondContact O-N 2.99Å; M51-A53 PolarHBondContact O-N 2.93Å; A53-W56 PolarHBondContact O-N 3.34Å; A53-T57 WeakPolarHBondContact O-CG2 3.33Å; A53-T57 PolarHBondContact O-N 3.02Å; A53-T57 PolarHBondContact O-OG1 3.33Å |
| 54 | I | 85.6 | Confident | 83.3 | Confident | 104 Ų | 104 | 98.7 Ų | 98.7 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.2 | -47.6 | 179.1 | -65.2 | 162.4 | 0 | 0 | 0 | 110.7 | G50 M51 W56 T57 C58 | G50-I54 WeakPolarHBondContact O-CD1 3.25Å; G50-I54 VanDerWaalsContact O-CG1 3.25Å; G50-I54 WeakPolarHBondContact O-CG1 3.42Å; G50-I54 PolarHBondContact O-N 3.11Å; M51-I54 PolarHBondContact O-N 3.33Å; I54-W56 VanDerWaalsContact C-N 3.32Å; I54-W56 PolarHBondContact O-N 3.06Å; I54-T57 WeakPolarHBondContact CA-OG1 3.33Å; I54-T57 PolarHBondContact O-N 3.47Å; I54-T57 VanDerWaalsContact O-N 3.15Å; I54-T57 PolarHBondContact O-OG1 3.2Å; I54-C58 PolarHBondContact O-N 2.87Å; I54-C58 PolarHBondContact O-SG 3.03Å |
| 55 | L | 88.4 | Confident | 84.5 | Confident | 98 Ų | 98 | 97 Ų | 97 | 51% | 0.513 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -56.8 | -44.9 | 177.2 | -81.3 | 158.9 | 0 | 0 | 0 | 111.9 | M51 T57 C58 L59 | M51-L55 WeakPolarHBondContact O-CB 3.42Å; M51-L55 WeakPolarHBondContact O-CD1 3.27Å; M51-L55 WeakPolarHBondContact O-CG 3.46Å; M51-L55 PolarHBondContact O-N 3.15Å; L55-T57 VanDerWaalsContact C-N 3.35Å; L55-T57 PolarHBondContact O-N 3.47Å; L55-C58 PolarHBondContact O-N 3.45Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 WeakPolarHBondContact O-CG 3.36Å; L55-L59 PolarHBondContact O-N 3.48Å |
| 56 | W | 89.9 | Confident | 85.7 | Confident | 205 Ų | 205 | 96 Ų | 96 | 78% | 0.777 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.2 | -41.1 | 177.9 | -166.4 | -90.4 | 0 | 0 | 0 | 112.1 | N52 A53 I54 G60 | N52-W56 WeakPolarHBondContact O-CB 3.36Å; N52-W56 PolarHBondContact O-N 3.48Å; N52-W56 VanDerWaalsContact O-N 3.08Å; A53-W56 PolarHBondContact O-N 3.34Å; I54-W56 VanDerWaalsContact C-N 3.32Å; I54-W56 PolarHBondContact O-N 3.06Å; W56-G60 PolarHBondContact O-N 3.37Å |
| 57 | T | 92.3 | Very high | 87 | Confident | 90 Ų | 90 | 96 Ų | 96 | 55% | 0.552 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.3 | -42.5 | 176.1 | 57.4 | 0 | 0 | 0 | 0 | 112.5 | A53 I54 L55 G60 L61 | A53-T57 WeakPolarHBondContact O-CG2 3.33Å; A53-T57 PolarHBondContact O-N 3.02Å; A53-T57 PolarHBondContact O-OG1 3.33Å; I54-T57 WeakPolarHBondContact CA-OG1 3.33Å; I54-T57 PolarHBondContact O-N 3.47Å; I54-T57 VanDerWaalsContact O-N 3.15Å; I54-T57 PolarHBondContact O-OG1 3.2Å; L55-T57 VanDerWaalsContact C-N 3.35Å; L55-T57 PolarHBondContact O-N 3.47Å; T57-G60 PolarHBondContact O-N 3.08Å; T57-L61 WeakPolarHBondContact O-CB 3.06Å; T57-L61 PolarHBondContact O-N 2.76Å |
| 58 | C | 92.2 | Very high | 88.3 | Confident | 74 Ų | 74 | 95.5 Ų | 95.5 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 177.8 | -69.7 | 0 | 0 | 0 | 0 | 112 | I54 L55 L61 S62 | I54-C58 PolarHBondContact O-N 2.87Å; I54-C58 PolarHBondContact O-SG 3.03Å; L55-C58 PolarHBondContact O-N 3.45Å; C58-L61 PolarHBondContact O-N 3.03Å; C58-S62 VanDerWaalsContact O-CB 3.29Å; C58-S62 WeakPolarHBondContact O-CB 3.37Å; C58-S62 PolarHBondContact O-N 3.46Å |
| 59 | L | 93.1 | Very high | 89.5 | Confident | 117 Ų | 117 | 95.5 Ų | 95.5 | 61% | 0.613 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -46.4 | 177 | -78.9 | 163.7 | 0 | 0 | 0 | 111.6 | L55 S62 L63 | L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 WeakPolarHBondContact O-CG 3.36Å; L55-L59 PolarHBondContact O-N 3.48Å; L59-S62 PolarHBondContact O-N 3.37Å; L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 PolarHBondContact O-N 3.21Å |
| 60 | G | 93.1 | Very high | 90.7 | Very high | 35 Ų | 35 | 94.7 Ų | 94.7 | 36% | 0.361 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -48.7 | 177 | 0 | 0 | 0 | 0 | 0 | 111.9 | W56 T57 S62 L63 I64 | W56-G60 PolarHBondContact O-N 3.37Å; T57-G60 PolarHBondContact O-N 3.08Å; G60-S62 PolarHBondContact O-N 3.28Å; G60-L63 PolarHBondContact O-N 2.9Å; G60-I64 VanDerWaalsContact O-CG1 3.27Å; G60-I64 WeakPolarHBondContact O-CG1 3.4Å; G60-I64 PolarHBondContact O-N 2.63Å; G60-I64 VanDerWaalsContact O-N 3.11Å |
| 61 | L | 95.3 | Very high | 92 | Very high | 112 Ų | 112 | 96.4 Ų | 96.4 | 59% | 0.586 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.8 | -44.4 | -179.8 | -170.5 | 72.1 | 0 | 0 | 0 | 111.8 | T57 C58 L63 I64 I65 | T57-L61 WeakPolarHBondContact O-CB 3.06Å; T57-L61 PolarHBondContact O-N 2.76Å; C58-L61 PolarHBondContact O-N 3.03Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 3.13Å; L61-I64 PolarHBondContact O-N 3.35Å; L61-I65 HydrophobicContact CD1-CD1 4.36Å; L61-I65 HydrophobicContact CD2-CD1 4.29Å; L61-I65 HydrophobicContact CG-CD1 3.82Å; L61-I65 HydrophobicContact CG-CG1 4.46Å; L61-I65 VanDerWaalsContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.34Å; L61-I65 PolarHBondContact O-N 3.19Å |
| 62 | S | 95.3 | Very high | 92.9 | Very high | 71 Ų | 71 | 95.8 Ų | 95.8 | 50% | 0.497 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.8 | -41.3 | 178.6 | -172.2 | 0 | 0 | 0 | 0 | 112 | C58 L59 G60 S66 | C58-S62 VanDerWaalsContact O-CB 3.29Å; C58-S62 WeakPolarHBondContact O-CB 3.37Å; C58-S62 PolarHBondContact O-N 3.46Å; L59-S62 PolarHBondContact O-N 3.37Å; G60-S62 PolarHBondContact O-N 3.28Å; S62-S66 WeakPolarHBondContact O-CB 3.43Å; S62-S66 PolarHBondContact O-N 2.88Å; S62-S66 PolarHBondContact O-OG 2.86Å |
| 63 | L | 96.4 | Very high | 93.6 | Very high | 125 Ų | 125 | 94.9 Ų | 94.9 | 65% | 0.654 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65 | -44 | 178.7 | -173.6 | 70.1 | 0 | 0 | 0 | 111.5 | L59 G60 L61 S66 L67 | L59-L63 WeakPolarHBondContact O-CB 3.43Å; L59-L63 PolarHBondContact O-N 3.21Å; G60-L63 PolarHBondContact O-N 2.9Å; L61-L63 VanDerWaalsContact C-N 3.32Å; L61-L63 PolarHBondContact O-N 3.13Å; L63-S66 PolarHBondContact O-N 3.24Å; L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 PolarHBondContact O-N 3.48Å |
| 64 | I | 96.4 | Very high | 94.1 | Very high | 110 Ų | 110 | 98 Ų | 98 | 56% | 0.564 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.8 | -45.8 | 179.8 | -63.8 | -66.6 | 0 | 0 | 0 | 111 | G60 L61 S66 L67 A68 | G60-I64 VanDerWaalsContact O-CG1 3.27Å; G60-I64 WeakPolarHBondContact O-CG1 3.4Å; G60-I64 PolarHBondContact O-N 2.63Å; G60-I64 VanDerWaalsContact O-N 3.11Å; L61-I64 PolarHBondContact O-N 3.35Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3.31Å; I64-L67 PolarHBondContact O-N 3.48Å; I64-A68 WeakPolarHBondContact O-CB 3.27Å; I64-A68 PolarHBondContact O-N 3.41Å |
| 65 | I | 97.1 | Very high | 94.4 | Very high | 92 Ų | 92 | 97 Ų | 97 | 47% | 0.472 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -60 | -44.9 | 176.2 | -68.1 | 169.7 | 0 | 0 | 0 | 110.3 | L61 L67 A68 V69 | L61-I65 HydrophobicContact CD1-CD1 4.36Å; L61-I65 HydrophobicContact CD2-CD1 4.29Å; L61-I65 HydrophobicContact CG-CD1 3.82Å; L61-I65 HydrophobicContact CG-CG1 4.46Å; L61-I65 VanDerWaalsContact O-CG1 3.3Å; L61-I65 WeakPolarHBondContact O-CG1 3.34Å; L61-I65 PolarHBondContact O-N 3.19Å; I65-L67 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 3.47Å; I65-A68 PolarHBondContact O-N 3.11Å; I65-V69 HydrophobicContact CG2-CG2 4.38Å; I65-V69 WeakPolarHBondContact O-CG2 3.32Å; I65-V69 PolarHBondContact O-N 2.97Å |
| 66 | S | 96.8 | Very high | 94.3 | Very high | 69 Ų | 69 | 97.4 Ų | 97.4 | 48% | 0.483 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -60 | -43.7 | 178.4 | -58.8 | 0 | 0 | 0 | 0 | 111.7 | S62 L63 I64 F70 | S62-S66 WeakPolarHBondContact O-CB 3.43Å; S62-S66 PolarHBondContact O-N 2.88Å; S62-S66 PolarHBondContact O-OG 2.86Å; L63-S66 PolarHBondContact O-N 3.24Å; I64-S66 VanDerWaalsContact C-N 3.32Å; I64-S66 PolarHBondContact O-N 3.31Å; S66-F70 WeakPolarHBondContact O-CB 3.28Å; S66-F70 PolarHBondContact O-N 2.97Å |
| 67 | L | 96.8 | Very high | 94.3 | Very high | 109 Ų | 109 | 96.4 Ų | 96.4 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -66 | -42.3 | 177.5 | -172.5 | 67.4 | 0 | 0 | 0 | 111.8 | L63 I64 I65 F70 V71 | L63-L67 WeakPolarHBondContact O-CB 3.44Å; L63-L67 PolarHBondContact O-N 3.48Å; I64-L67 PolarHBondContact O-N 3.48Å; I65-L67 VanDerWaalsContact C-N 3.33Å; I65-L67 PolarHBondContact O-N 3.47Å; L67-F70 PolarHBondContact O-N 3.43Å; L67-V71 WeakPolarHBondContact O-CG2 3.22Å; L67-V71 PolarHBondContact O-N 3.22Å |
| 68 | A | 96.8 | Very high | 93.9 | Very high | 59 Ų | 59 | 97.7 Ų | 97.7 | 49% | 0.488 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.9 | -45.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I64 I65 F70 V71 L72 | I64-A68 WeakPolarHBondContact O-CB 3.27Å; I64-A68 PolarHBondContact O-N 3.41Å; I65-A68 PolarHBondContact O-N 3.11Å; A68-F70 VanDerWaalsContact C-N 3.34Å; A68-F70 PolarHBondContact O-N 3.19Å; A68-V71 PolarHBondContact O-N 3.04Å; A68-L72 VanDerWaalsContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.48Å; A68-L72 PolarHBondContact O-N 2.97Å |
| 69 | V | 96.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 100.7 Ų | 100.7 | 49% | 0.491 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 175.6 | 172.7 | 0 | 0 | 0 | 0 | 111 | I65 L72 T73 | I65-V69 HydrophobicContact CG2-CG2 4.38Å; I65-V69 WeakPolarHBondContact O-CG2 3.32Å; I65-V69 PolarHBondContact O-N 2.97Å; V69-L72 PolarHBondContact O-N 3.24Å; V69-T73 WeakPolarHBondContact O-CB 3.25Å; V69-T73 PolarHBondContact O-N 3.33Å; V69-T73 PolarHBondContact O-OG1 2.89Å |
| 70 | F | 95.9 | Very high | 91.8 | Very high | 142 Ų | 142 | 98.4 Ų | 98.4 | 62% | 0.623 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -47.1 | 177 | -178.3 | -98.4 | 0 | 0 | 0 | 112 | S66 L67 A68 T73 F74 | S66-F70 WeakPolarHBondContact O-CB 3.28Å; S66-F70 PolarHBondContact O-N 2.97Å; L67-F70 PolarHBondContact O-N 3.43Å; A68-F70 VanDerWaalsContact C-N 3.34Å; A68-F70 PolarHBondContact O-N 3.19Å; F70-T73 PolarHBondContact O-N 2.81Å; F70-F74 WeakPolarHBondContact O-CB 3.05Å; F70-F74 PolarHBondContact O-N 3.03Å |
| 71 | V | 95.8 | Very high | 90.3 | Very high | 67 Ų | 67 | 100.9 Ų | 100.9 | 41% | 0.406 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64 | -44.9 | 176.8 | 173.8 | 0 | 0 | 0 | 0 | 110.7 | L67 A68 T73 F74 L75 | L67-V71 WeakPolarHBondContact O-CG2 3.22Å; L67-V71 PolarHBondContact O-N 3.22Å; A68-V71 PolarHBondContact O-N 3.04Å; V71-T73 VanDerWaalsContact C-N 3.34Å; V71-T73 PolarHBondContact O-N 2.88Å; V71-F74 PolarHBondContact O-N 2.97Å; V71-L75 HydrophobicContact CG1-CD1 3.93Å; V71-L75 HydrophobicContact CG1-CG 4.2Å; V71-L75 WeakPolarHBondContact O-CB 3.02Å; V71-L75 VanDerWaalsContact O-CG 3.27Å; V71-L75 WeakPolarHBondContact O-CG 3.45Å; V71-L75 PolarHBondContact O-N 3.21Å |
| 72 | L | 95 | Very high | 88.8 | Confident | 100 Ų | 100 | 102.7 Ų | 102.7 | 52% | 0.524 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -58.8 | -46.5 | 176.7 | -178.5 | 62.9 | 0 | 0 | 0 | 111.1 | A68 V69 F74 L75 L76 | A68-L72 VanDerWaalsContact O-CB 3.29Å; A68-L72 WeakPolarHBondContact O-CB 3.48Å; A68-L72 PolarHBondContact O-N 2.97Å; V69-L72 PolarHBondContact O-N 3.24Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-F74 PolarHBondContact O-N 3.34Å; L72-L75 PolarHBondContact O-N 2.9Å; L72-L76 HydrophobicContact CD1-CD1 4.35Å; L72-L76 HydrophobicContact CD1-CG 4.35Å; L72-L76 HydrophobicContact CG-CD1 4.06Å; L72-L76 HydrophobicContact CG-CG 4.47Å; L72-L76 WeakPolarHBondContact O-CB 3.02Å; L72-L76 VanDerWaalsContact O-CG 3.23Å; L72-L76 WeakPolarHBondContact O-CG 3.25Å; L72-L76 PolarHBondContact O-N 3.28Å |
| 73 | T | 93.4 | Very high | 86.8 | Confident | 76 Ų | 76 | 103 Ų | 103 | 47% | 0.466 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -63.4 | -40.4 | 177.2 | -52.3 | 0 | 0 | 0 | 0 | 111.4 | V69 F70 V71 L76 R77 | V69-T73 WeakPolarHBondContact O-CB 3.25Å; V69-T73 PolarHBondContact O-N 3.33Å; V69-T73 PolarHBondContact O-OG1 2.89Å; F70-T73 PolarHBondContact O-N 2.81Å; V71-T73 VanDerWaalsContact C-N 3.34Å; V71-T73 PolarHBondContact O-N 2.88Å; T73-L76 PolarHBondContact O-N 3.41Å; T73-R77 WeakPolarHBondContact O-CB 3.32Å; T73-R77 PolarHBondContact O-N 3.2Å |
| 74 | F | 93.3 | Very high | 84.5 | Confident | 122 Ų | 122 | 104.2 Ų | 104.2 | 54% | 0.535 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -64.9 | -43.3 | 176.4 | -179.8 | -96.7 | 0 | 0 | 0 | 111.9 | F70 V71 L72 R77 K78 | F70-F74 WeakPolarHBondContact O-CB 3.05Å; F70-F74 PolarHBondContact O-N 3.03Å; V71-F74 PolarHBondContact O-N 2.97Å; L72-F74 VanDerWaalsContact C-N 3.33Å; L72-F74 PolarHBondContact O-N 3.34Å; F74-R77 PolarHBondContact O-N 3.33Å; F74-K78 HydrophobicContact CE1-CD 4.5Å; F74-K78 VanDerWaalsContact O-CB 3.24Å; F74-K78 WeakPolarHBondContact O-CB 3.49Å; F74-K78 PolarHBondContact O-N 3.38Å |
| 75 | L | 92.1 | Very high | 82.4 | Confident | 84 Ų | 84 | 108 Ų | 108 | 44% | 0.44 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.6 | -45.1 | 175.8 | -70.2 | 175.7 | 0 | 0 | 0 | 111.3 | V71 L72 R77 K78 M79 | V71-L75 HydrophobicContact CG1-CD1 3.93Å; V71-L75 HydrophobicContact CG1-CG 4.2Å; V71-L75 WeakPolarHBondContact O-CB 3.02Å; V71-L75 VanDerWaalsContact O-CG 3.27Å; V71-L75 WeakPolarHBondContact O-CG 3.45Å; V71-L75 PolarHBondContact O-N 3.21Å; L72-L75 PolarHBondContact O-N 2.9Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 2.04Å; L75-K78 PolarHBondContact O-N 2.94Å; L75-M79 VanDerWaalsContact O-CB 3.27Å; L75-M79 WeakPolarHBondContact O-CB 3.49Å; L75-M79 WeakPolarHBondContact O-CG 3.41Å; L75-M79 PolarHBondContact O-N 3.05Å |
| 76 | L | 87.4 | Confident | 80.4 | Confident | 106 Ų | 106 | 109.6 Ų | 109.6 | 56% | 0.555 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -61.2 | -42.3 | 174.9 | -72 | 173.5 | 0 | 0 | 0 | 111.2 | L72 T73 M79 S80 | L72-L76 HydrophobicContact CD1-CD1 4.35Å; L72-L76 HydrophobicContact CD1-CG 4.35Å; L72-L76 HydrophobicContact CG-CD1 4.06Å; L72-L76 HydrophobicContact CG-CG 4.47Å; L72-L76 WeakPolarHBondContact O-CB 3.02Å; L72-L76 VanDerWaalsContact O-CG 3.23Å; L72-L76 WeakPolarHBondContact O-CG 3.25Å; L72-L76 PolarHBondContact O-N 3.28Å; T73-L76 PolarHBondContact O-N 3.41Å; L76-M79 CarbonylContact O-C 3.42Å; L76-M79 PolarHBondContact O-N 2.04Å; L76-S80 VanDerWaalsContact O-CB 3.23Å; L76-S80 WeakPolarHBondContact O-CB 3.42Å; L76-S80 PolarHBondContact O-N 2.85Å; L76-S80 PolarHBondContact O-OG 2.03Å |
| 77 | R | 88.1 | Confident | 78.2 | Confident | 184 Ų | 184 | 114.7 Ų | 114.7 | 69% | 0.694 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -69.9 | -36.7 | 178.3 | -163.9 | 175.7 | -173.8 | 176.2 | 2.5 | 112.3 | T73 F74 L75 S80 S81 | T73-R77 WeakPolarHBondContact O-CB 3.32Å; T73-R77 PolarHBondContact O-N 3.2Å; F74-R77 PolarHBondContact O-N 3.33Å; L75-R77 VanDerWaalsContact C-N 3.34Å; L75-R77 PolarHBondContact O-N 2.04Å; R77-S80 WeakPolarHBondContact CA-OG 3.07Å; R77-S80 PolarHBondContact O-N 3.02Å; R77-S80 PolarHBondContact O-OG 3.41Å; R77-S80 VanDerWaalsContact O-OG 3.09Å; R77-S81 WeakPolarHBondContact O-CB 3.05Å; R77-S81 PolarHBondContact O-N 3.33Å; R77-S81 VanDerWaalsContact O-N 3.1Å; R77-S81 PolarHBondContact O-OG 3.13Å |
| 78 | K | 84.6 | Confident | 75.9 | Confident | 116 Ų | 116 | 119.3 Ų | 119.3 | 50% | 0.504 | 61% | 0.605 | S | S | . | * | H | α-helix | trans | -65 | -47 | 172.9 | -176.8 | 178.4 | 175.5 | -179.7 | 0 | 110.3 | F74 L75 S80 S81 E82 | F74-K78 HydrophobicContact CE1-CD 4.5Å; F74-K78 VanDerWaalsContact O-CB 3.24Å; F74-K78 WeakPolarHBondContact O-CB 3.49Å; F74-K78 PolarHBondContact O-N 3.38Å; L75-K78 PolarHBondContact O-N 2.94Å; K78-S80 VanDerWaalsContact C-N 3.33Å; K78-S80 PolarHBondContact O-N 3.15Å; K78-S81 PolarHBondContact O-N 2.96Å; K78-E82 PolarHBondContact O-N 3.44Å |
| 79 | M | 75.6 | Confident | 73.7 | Confident | 138 Ų | 138 | 124.4 Ų | 124.4 | 68% | 0.68 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -75.5 | -11.2 | 176.1 | -73.6 | -170.5 | 170.1 | 0 | 0 | 114.2 | L75 L76 P83 | L75-M79 VanDerWaalsContact O-CB 3.27Å; L75-M79 WeakPolarHBondContact O-CB 3.49Å; L75-M79 WeakPolarHBondContact O-CG 3.41Å; L75-M79 PolarHBondContact O-N 3.05Å; L76-M79 CarbonylContact O-C 3.42Å; L76-M79 PolarHBondContact O-N 2.04Å; M79-P83 WeakPolarHBondContact O-CD 3.49Å; M79-P83 WeakPolarHBondContact O-CG 3.35Å |
| 80 | S | 66.7 | Low | 71.3 | Confident | 68 Ų | 68 | 127.5 Ų | 127.5 | 48% | 0.476 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -92.7 | -20.8 | 171.2 | 71.7 | 0 | 0 | 0 | 0 | 111.4 | L76 R77 K78 | L76-S80 VanDerWaalsContact O-CB 3.23Å; L76-S80 WeakPolarHBondContact O-CB 3.42Å; L76-S80 PolarHBondContact O-N 2.85Å; L76-S80 PolarHBondContact O-OG 2.03Å; R77-S80 WeakPolarHBondContact CA-OG 3.07Å; R77-S80 PolarHBondContact O-N 3.02Å; R77-S80 PolarHBondContact O-OG 3.41Å; R77-S80 VanDerWaalsContact O-OG 3.09Å; K78-S80 VanDerWaalsContact C-N 3.33Å; K78-S80 PolarHBondContact O-N 3.15Å |
| 81 | S | 61.1 | Low | 69 | Low | 87 Ų | 87 | 128 Ų | 128 | 61% | 0.608 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -81.7 | -22.3 | 176.9 | -56.3 | 0 | 0 | 0 | 0 | 112.5 | R77 K78 | R77-S81 WeakPolarHBondContact O-CB 3.05Å; R77-S81 PolarHBondContact O-N 3.33Å; R77-S81 VanDerWaalsContact O-N 3.1Å; R77-S81 PolarHBondContact O-OG 3.13Å; K78-S81 PolarHBondContact O-N 2.96Å |
| 82 | E | 62.7 | Low | 66.4 | Low | 151 Ų | 151 | 128.4 Ų | 128.4 | 71% | 0.706 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.9 | -25.4 | -174 | -138 | 143.7 | 101.3 | 0 | 0 | 116.2 | K78 | K78-E82 PolarHBondContact O-N 3.44Š|
| 83 | P | 53.5 | Low | 63.8 | Low | 76 Ų | 76 | 130.1 Ų | 130.1 | 49% | 0.494 | 68% | 0.683 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -102.9 | -7.8 | 178.1 | 35.8 | -30.7 | 0 | 0 | 0 | 114.5 | M79 K85 D86 | M79-P83 WeakPolarHBondContact O-CD 3.49Å; M79-P83 WeakPolarHBondContact O-CG 3.35Å; P83-K85 PolarHBondContact O-N 2.97Å; P83-D86 PolarHBondContact O-N 3.41Å |
| 84 | L | 49.2 | Very low | 61.6 | Low | 151 Ų | 151 | 129.5 Ų | 129.5 | 79% | 0.791 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.6 | 34.5 | 173.2 | -157 | 105.1 | 0 | 0 | 0 | 112.9 | ||
| 85 | K | 51.8 | Low | 58.9 | Low | 191 Ų | 191 | 129 Ų | 129 | 83% | 0.83 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.7 | -5.2 | 170.5 | -82.3 | -170.9 | 174.7 | -178.1 | 0 | 114.3 | P83 | P83-K85 PolarHBondContact O-N 2.97Š|
| 86 | D | 54.1 | Low | 56.2 | Low | 125 Ų | 125 | 130 Ų | 130 | 67% | 0.668 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -121.9 | 8 | -178.2 | -123.3 | -9.6 | 0 | 0 | 0 | 115.5 | P83 | P83-D86 PolarHBondContact O-N 3.41Š|
| 87 | E | 51.3 | Low | 53.5 | Low | 176 Ų | 176 | 127.8 Ų | 127.8 | 82% | 0.822 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -114.5 | 45.9 | 173.7 | -156.7 | 161.6 | 115.5 | 0 | 0 | 112.3 | ||
| 88 | F | 49.8 | Very low | 50.9 | Low | 206 Ų | 206 | 127.4 Ų | 127.4 | 90% | 0.904 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -139.2 | 34.5 | 161.8 | -90.3 | -72.2 | 0 | 0 | 0 | 111.7 | ||
| 89 | K | 50.1 | Low | 48.6 | Very low | 165 Ų | 165 | 126 Ų | 126 | 72% | 0.717 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -121.5 | -8.8 | 176.2 | -76 | -171.7 | 175.7 | 177.8 | 0 | 116.1 | ||
| 90 | N | 46 | Very low | 46.7 | Very low | 146 Ų | 146 | 126.6 Ų | 126.6 | 78% | 0.781 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -132.9 | 47.5 | -169.7 | -57.7 | -43.5 | 0 | 0 | 0 | 113.6 | ||
| 91 | T | 46.7 | Very low | 45.3 | Very low | 152 Ų | 152 | 130.1 Ų | 130.1 | 93% | 0.933 | 74% | 0.738 | S | S | * | * | S | Bend | trans | -155.5 | 107.6 | 156.7 | -55 | 0 | 0 | 0 | 0 | 108.6 | ||
| 92 | G | 42.7 | Very low | 44 | Very low | 77 Ų | 77 | 133.1 Ų | 133.1 | 79% | 0.794 | 75% | 0.747 | S | S | * | * | trans | 116.3 | 40.8 | 168.7 | 0 | 0 | 0 | 0 | 0 | 117 | ||||
| 93 | S | 39.8 | Very low | 42.7 | Very low | 135 Ų | 135 | 133 Ų | 133 | 94% | 0.944 | 75% | 0.751 | S | S | * | * | trans | -124.5 | 51.3 | 156.1 | -178.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 94 | G | 47.2 | Very low | 41.7 | Very low | 64 Ų | 64 | 137.4 Ų | 137.4 | 66% | 0.66 | 77% | 0.765 | S | S | * | * | trans | -122.8 | 130.7 | 154.3 | 0 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 95 | L | 36.6 | Very low | 40.8 | Very low | 112 Ų | 112 | 139.7 Ų | 139.7 | 59% | 0.586 | 77% | 0.768 | S | S | * | * | S | Bend | trans | 103.7 | 103.9 | 159.2 | -145.6 | 154 | 0 | 0 | 0 | 116.6 | I112 V113 | L95-I112 HydrophobicContact CD1-CG2 3.89Å; L95-I112 HydrophobicContact CD2-CG2 4.4Å; L95-I112 VanDerWaalsContact CD2-O 3.26Å; L95-I112 WeakPolarHBondContact CD2-O 3.38Å; L95-V113 HydrophobicContact CD2-CB 4.31Å; L95-V113 WeakPolarHBondContact CD2-O 3.47Å |
| 96 | L | 34.3 | Very low | 40.1 | Very low | 105 Ų | 105 | 134.4 Ų | 134.4 | 55% | 0.55 | 77% | 0.768 | S | S | . | * | trans | 66.7 | 137.1 | 161.2 | -85 | 170.9 | 0 | 0 | 0 | 120.3 | I112 V113 L114 | L96-I112 WeakPolarHBondContact CD1-O 3.44Å; L96-I112 WeakPolarHBondContact CG-O 3.12Å; L96-V113 WeakPolarHBondContact CD1-O 3.47Å; L96-L114 HydrophobicContact CB-CD1 4.32Å | ||
| 97 | G | 31.6 | Very low | 39.2 | Very low | 58 Ų | 58 | 139.7 Ų | 139.7 | 60% | 0.598 | 78% | 0.779 | S | S | * | * | cis | -175.1 | 120.8 | 7.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | A99 | G97-A99 PolarHBondContact O-N 2.92Å; G97-A99 VanDerWaalsContact O-N 3.16Å | ||
| 98 | M | 34.4 | Very low | 38.4 | Very low | 176 Ų | 176 | 137.6 Ų | 137.6 | 87% | 0.867 | 78% | 0.778 | S | S | * | * | trans | -76.3 | 94.7 | 179.2 | -175.9 | 152.3 | 169.6 | 0 | 0 | 109.2 | I101 | M98-I101 HydrophobicContact CE-CD1 4.5Š| ||
| 99 | A | 35 | Very low | 37.5 | Very low | 86 Ų | 86 | 131.3 Ų | 131.3 | 71% | 0.711 | 77% | 0.772 | S | S | * | * | trans | -92.7 | 100.5 | 167.3 | 0 | 0 | 0 | 0 | 0 | 109 | G97 | G97-A99 PolarHBondContact O-N 2.92Å; G97-A99 VanDerWaalsContact O-N 3.16Å | ||
| 100 | N | 36.3 | Very low | 36.8 | Very low | 151 Ų | 151 | 131.1 Ų | 131.1 | 81% | 0.807 | 78% | 0.778 | S | S | * | * | trans | 160.5 | 79.7 | 146.6 | -85.3 | -47.3 | 0 | 0 | 0 | 110.1 | ||||
| 101 | I | 36.5 | Very low | 36.4 | Very low | 143 Ų | 143 | 131.7 Ų | 131.7 | 73% | 0.733 | 78% | 0.776 | S | S | * | * | trans | -142.6 | 101.5 | 147 | -59.2 | -174.3 | 0 | 0 | 0 | 106.7 | M98 L103 | M98-I101 HydrophobicContact CE-CD1 4.5Å; I101-L103 PolarHBondContact O-N 3.27Å | ||
| 102 | D | 35 | Very low | 36 | Very low | 149 Ų | 149 | 128.4 Ų | 128.4 | 80% | 0.797 | 75% | 0.752 | S | S | * | * | trans | -69.1 | 108.2 | 158.8 | 173.7 | 33.2 | 0 | 0 | 0 | 108.2 | ||||
| 103 | L | 33.9 | Very low | 35.7 | Very low | 150 Ų | 150 | 129.7 Ų | 129.7 | 79% | 0.785 | 74% | 0.744 | S | S | * | * | trans | -167.4 | 99.2 | 147.3 | -153.3 | 67 | 0 | 0 | 0 | 110.9 | I101 | I101-L103 PolarHBondContact O-N 3.27Š| ||
| 104 | E | 33.7 | Very low | 35.4 | Very low | 168 Ų | 168 | 129 Ų | 129 | 79% | 0.785 | 73% | 0.73 | S | S | * | * | trans | 27.2 | 127.8 | 142.7 | -75.3 | -72.4 | 127.4 | 0 | 0 | 120.5 | ||||
| 105 | K | 30.7 | Very low | 35.2 | Very low | 199 Ų | 199 | 132 Ų | 132 | 87% | 0.865 | 74% | 0.737 | S | S | * | * | trans | 100.6 | 74.8 | 148.8 | -149.4 | 168.5 | -173.8 | 172.6 | 0 | 118.6 | ||||
| 106 | G | 36.5 | Very low | 35.3 | Very low | 80 Ų | 80 | 138.3 Ų | 138.3 | 83% | 0.825 | 75% | 0.753 | S | S | * | * | 58.6 | 89.2 | 128.7 | 0 | 0 | 0 | 0 | 0 | 119 | |||||
| 107 | R | 35.5 | Very low | 35.4 | Very low | 235 Ų | 235 | 136.9 Ų | 136.9 | 89% | 0.887 | 76% | 0.764 | S | S | * | * | trans | -157.8 | 116.2 | 162.1 | -157.6 | 166.8 | -179.9 | 157.6 | -1.4 | 113.1 | ||||
| 108 | T | 33.2 | Very low | 35.6 | Very low | 133 Ų | 133 | 142.1 Ų | 142.1 | 82% | 0.816 | 78% | 0.777 | S | S | * | * | trans | 45.5 | 112.9 | 141.3 | -36.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 109 | G | 31.2 | Very low | 35.3 | Very low | 74 Ų | 74 | 140.7 Ų | 140.7 | 76% | 0.763 | 77% | 0.769 | S | S | * | * | trans | 96.4 | 103.6 | 132.8 | 0 | 0 | 0 | 0 | 0 | 119 | ||||
| 110 | D | 35.7 | Very low | 35.4 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 86% | 0.861 | 77% | 0.769 | S | S | * | * | trans | 4.7 | 141.9 | 138.7 | -103.1 | -14.1 | 0 | 0 | 0 | 118.2 | ||||
| 111 | E | 37.8 | Very low | 35.5 | Very low | 157 Ų | 157 | 144.7 Ų | 144.7 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | cis | -178.7 | 171.9 | 32 | -173.2 | -160.4 | 151.5 | 0 | 0 | 108.9 | ||||
| 112 | I | 37.8 | Very low | 36.1 | Very low | 84 Ų | 84 | 144 Ų | 144 | 43% | 0.431 | 77% | 0.773 | S | S | . | * | trans | 99.2 | 103.5 | 146.1 | -50.4 | -179.5 | 0 | 0 | 0 | 121.5 | L95 L96 | L95-I112 HydrophobicContact CD1-CG2 3.89Å; L95-I112 HydrophobicContact CD2-CG2 4.4Å; L95-I112 VanDerWaalsContact CD2-O 3.26Å; L95-I112 WeakPolarHBondContact CD2-O 3.38Å; L96-I112 WeakPolarHBondContact CD1-O 3.44Å; L96-I112 WeakPolarHBondContact CG-O 3.12Å | ||
| 113 | V | 36.3 | Very low | 36.5 | Very low | 103 Ų | 103 | 145.8 Ų | 145.8 | 62% | 0.624 | 78% | 0.777 | S | S | * | * | 75 | 119.3 | 122.7 | -172.9 | 0 | 0 | 0 | 0 | 126.6 | L95 L96 | L95-V113 HydrophobicContact CD2-CB 4.31Å; L95-V113 WeakPolarHBondContact CD2-O 3.47Å; L96-V113 WeakPolarHBondContact CD1-O 3.47Å | |||
| 114 | L | 34.9 | Very low | 36.6 | Very low | 122 Ų | 122 | 146.9 Ų | 146.9 | 64% | 0.639 | 78% | 0.778 | S | S | * | * | trans | -126.4 | 158.2 | 151.6 | -104.8 | 153.4 | 0 | 0 | 0 | 107.7 | L96 | L96-L114 HydrophobicContact CB-CD1 4.32Š| ||
| 115 | P | 42.8 | Very low | 36.8 | Very low | 126 Ų | 126 | 145.1 Ų | 145.1 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | cis | -150 | 179 | 49.6 | 36.9 | -12.8 | 0 | 0 | 0 | 118.2 | ||||
| 116 | R | 38.4 | Very low | 37.1 | Very low | 244 Ų | 244 | 141.8 Ų | 141.8 | 92% | 0.921 | 78% | 0.779 | S | S | * | * | trans | -102.1 | 139.8 | 173.4 | -176.6 | -171.5 | -158.5 | -175 | 6.6 | 109.6 | ||||
| 117 | G | 35.2 | Very low | 37 | Very low | 75 Ų | 75 | 144.3 Ų | 144.3 | 77% | 0.773 | 78% | 0.783 | S | S | * | * | trans | 169.5 | 120.8 | 164.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 118 | L | 35.9 | Very low | 37.4 | Very low | 169 Ų | 169 | 141.9 Ų | 141.9 | 89% | 0.885 | 78% | 0.781 | S | S | * | * | trans | -51 | 141.9 | 170.1 | -91.1 | 112.8 | 0 | 0 | 0 | 113.4 | ||||
| 119 | E | 29.9 | Very low | 37.7 | Very low | 146 Ų | 146 | 142 Ų | 142 | 68% | 0.682 | 78% | 0.777 | S | S | * | * | 166.7 | 147 | 121 | -94.1 | 178.3 | 110.8 | 0 | 0 | 111.7 | |||||
| 120 | Y | 36.4 | Very low | 38.2 | Very low | 181 Ų | 181 | 144.3 Ų | 144.3 | 71% | 0.71 | 78% | 0.78 | S | S | * | * | trans | -52.8 | 149 | 178.8 | 47.1 | -89.1 | 0 | 0 | 0 | 114.4 | ||||
| 121 | T | 37.7 | Very low | 38.3 | Very low | 139 Ų | 139 | 143.3 Ų | 143.3 | 85% | 0.853 | 77% | 0.773 | S | S | * | * | trans | -151.1 | 114.9 | 144.5 | 39.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 122 | V | 50.6 | Low | 38.7 | Very low | 128 Ų | 128 | 144.8 Ų | 144.8 | 78% | 0.776 | 78% | 0.777 | S | S | * | * | trans | -71.4 | 131.2 | 156.9 | 164.3 | 0 | 0 | 0 | 0 | 106.2 | E124 | V122-E124 PolarHBondContact O-N 3.43Š| ||
| 123 | E | 41.8 | Very low | 38.8 | Very low | 188 Ų | 188 | 148.8 Ų | 148.8 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -67.4 | 96.6 | 167.8 | -81.1 | -176.3 | 141.7 | 0 | 0 | 108.8 | C125 | E123-C125 PolarHBondContact O-N 3.12Š| ||
| 124 | E | 36.9 | Very low | 38.8 | Very low | 173 Ų | 173 | 153.2 Ų | 153.2 | 81% | 0.808 | 81% | 0.81 | S | S | * | * | trans | -75.5 | 105.6 | 162.5 | -82.4 | 179 | 153.8 | 0 | 0 | 108.6 | V122 T126 | V122-E124 PolarHBondContact O-N 3.43Å; E124-T126 PolarHBondContact O-N 3.16Å | ||
| 125 | C | 36.8 | Very low | 39 | Very low | 130 Ų | 130 | 153.6 Ų | 153.6 | 88% | 0.878 | 82% | 0.82 | S | S | * | * | trans | -67.7 | 112.5 | 164.5 | -75.4 | 0 | 0 | 0 | 0 | 109.1 | E123 | E123-C125 PolarHBondContact O-N 3.12Š| ||
| 126 | T | 38.4 | Very low | 38.7 | Very low | 130 Ų | 130 | 157.2 Ų | 157.2 | 80% | 0.798 | 82% | 0.823 | S | S | * | * | trans | -73.1 | 133.8 | 174.8 | 36.8 | 0 | 0 | 0 | 0 | 111.9 | E124 | E124-T126 PolarHBondContact O-N 3.16Š| ||
| 127 | C | 34.1 | Very low | 39.2 | Very low | 133 Ų | 133 | 152.2 Ų | 152.2 | 90% | 0.899 | 82% | 0.819 | S | S | * | * | trans | -143.9 | 90.6 | 154.4 | -169.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 128 | E | 44.4 | Very low | 39.6 | Very low | 183 Ų | 183 | 154.7 Ų | 154.7 | 86% | 0.855 | 82% | 0.815 | S | S | * | * | trans | -93.4 | 139.2 | 155.7 | -68.2 | 176.4 | 134.7 | 0 | 0 | 105.4 | ||||
| 129 | D | 38 | Very low | 39.7 | Very low | 136 Ų | 136 | 152 Ų | 152 | 73% | 0.727 | 81% | 0.81 | S | S | * | * | cis | -166 | 147.8 | 27 | -165.2 | -5.1 | 0 | 0 | 0 | 106.7 | ||||
| 130 | C | 42.3 | Very low | 40.6 | Very low | 122 Ų | 122 | 151.4 Ų | 151.4 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | trans | -179.9 | 82.4 | 149.2 | -93.5 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 131 | I | 38.5 | Very low | 41.6 | Very low | 140 Ų | 140 | 150.7 Ų | 150.7 | 72% | 0.718 | 81% | 0.814 | S | S | * | * | 53.2 | 111.6 | 129.2 | -55.2 | -175.9 | 0 | 0 | 0 | 119.7 | |||||
| 132 | K | 46 | Very low | 42 | Very low | 188 Ų | 188 | 150 Ų | 150 | 82% | 0.817 | 81% | 0.813 | S | S | * | * | trans | 26 | 107.4 | 142.3 | -69 | 179.4 | 178.5 | -180 | 0 | 117.8 | ||||
| 133 | N | 39.7 | Very low | 42.2 | Very low | 168 Ų | 168 | 152.6 Ų | 152.6 | 90% | 0.898 | 82% | 0.815 | S | S | * | * | -152.2 | 141.3 | 128 | -89.9 | -31.6 | 0 | 0 | 0 | 110.2 | |||||
| 134 | K | 36.6 | Very low | 42.8 | Very low | 197 Ų | 197 | 149.4 Ų | 149.4 | 86% | 0.857 | 81% | 0.81 | S | S | * | * | trans | -56.8 | 147 | -176.7 | -67.6 | -163.3 | 175.3 | -170.8 | 0 | 112 | K136 | K134-K136 PolarHBondContact O-N 3.42Š| ||
| 135 | P | 38.8 | Very low | 43.5 | Very low | 129 Ų | 129 | 148.7 Ų | 148.7 | 84% | 0.838 | 81% | 0.811 | S | S | * | * | trans | -72.5 | 114.4 | 175.9 | 30.1 | -30.9 | 0 | 0 | 0 | 109 | ||||
| 136 | K | 35.4 | Very low | 43.9 | Very low | 203 Ų | 203 | 148.1 Ų | 148.1 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -90.3 | 113.1 | 153 | -88.8 | -173 | 175.3 | -178.5 | 0 | 106.9 | K134 D138 | K134-K136 PolarHBondContact O-N 3.42Å; K136-D138 PolarHBondContact O-N 3.04Å | ||
| 137 | V | 49.9 | Very low | 44.7 | Very low | 138 Ų | 138 | 147 Ų | 147 | 84% | 0.836 | 81% | 0.809 | S | S | * | * | trans | -26.1 | 113.6 | 149.5 | 169.7 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 138 | D | 43.6 | Very low | 45.8 | Very low | 128 Ų | 128 | 149.5 Ų | 149.5 | 68% | 0.684 | 81% | 0.81 | S | S | * | * | 160.5 | 101.5 | 111 | -150.9 | -1.6 | 0 | 0 | 0 | 107.2 | K136 | K136-D138 PolarHBondContact O-N 3.04Š| |||
| 139 | S | 36.9 | Very low | 46.2 | Very low | 113 Ų | 113 | 149.4 Ų | 149.4 | 79% | 0.79 | 81% | 0.81 | S | S | * | * | trans | -147.7 | 60.2 | 168.8 | -162.3 | 0 | 0 | 0 | 0 | 108.1 | H141 | S139-H141 VanDerWaalsContact C-N 3.32Å; S139-H141 PolarHBondContact O-N 3.49Å | ||
| 140 | D | 50.8 | Low | 47.2 | Very low | 132 Ų | 132 | 152.1 Ų | 152.1 | 71% | 0.706 | 82% | 0.818 | S | S | * | * | trans | -60.6 | 101.9 | 153.1 | -76.9 | -27.2 | 0 | 0 | 0 | 106.8 | ||||
| 141 | H | 57.4 | Low | 47.8 | Very low | 166 Ų | 166 | 149.5 Ų | 149.5 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | 179.1 | 64.7 | 145.9 | -78.5 | -16.9 | 0 | 0 | 0 | 109.1 | S139 | S139-H141 VanDerWaalsContact C-N 3.32Å; S139-H141 PolarHBondContact O-N 3.49Å | ||
| 142 | C | 44.3 | Very low | 48.8 | Very low | 124 Ų | 124 | 148 Ų | 148 | 84% | 0.838 | 82% | 0.821 | S | S | * | * | trans | -94.1 | 107.6 | 154 | -76.2 | 0 | 0 | 0 | 0 | 107.2 | P144 | C142-P144 WeakPolarHBondContact O-CD 3.38Š| ||
| 143 | F | 55.4 | Low | 49.4 | Very low | 183 Ų | 183 | 145.5 Ų | 145.5 | 80% | 0.803 | 82% | 0.821 | S | S | * | * | trans | -67.6 | 121.5 | 164.5 | -76.3 | -85.6 | 0 | 0 | 0 | 107.9 | L145 | F143-L145 PolarHBondContact O-N 3.26Å; F143-L145 VanDerWaalsContact O-N 3.09Å | ||
| 144 | P | 54.4 | Low | 50.2 | Low | 122 Ų | 122 | 144.7 Ų | 144.7 | 79% | 0.792 | 82% | 0.816 | S | S | * | * | trans | -71.6 | 111.1 | 175.2 | 27.6 | -29.5 | 0 | 0 | 0 | 108.2 | C142 | C142-P144 WeakPolarHBondContact O-CD 3.38Š| ||
| 145 | L | 51.4 | Low | 51 | Low | 157 Ų | 157 | 142.7 Ų | 142.7 | 82% | 0.822 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -67.1 | 132.7 | 163.9 | -67 | 172.6 | 0 | 0 | 0 | 107.8 | F143 A147 | F143-L145 PolarHBondContact O-N 3.26Å; F143-L145 VanDerWaalsContact O-N 3.09Å; L145-A147 PolarHBondContact O-N 3.3Å |
| 146 | P | 45.3 | Very low | 51.9 | Low | 119 Ų | 119 | 142.3 Ų | 142.3 | 77% | 0.773 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -67.3 | 121.8 | -178.2 | 26.2 | -31.8 | 0 | 0 | 0 | 110 | M148 | P146-M148 PolarHBondContact O-N 3.34Š|
| 147 | A | 54.9 | Low | 53.2 | Low | 105 Ų | 105 | 138.1 Ų | 138.1 | 87% | 0.868 | 80% | 0.8 | S | S | * | * | P | Polyproline II helix | trans | -70.7 | 123.3 | 169 | 0 | 0 | 0 | 0 | 0 | 109.1 | L145 | L145-A147 PolarHBondContact O-N 3.3Š|
| 148 | M | 57 | Low | 54.1 | Low | 187 Ų | 187 | 137.3 Ų | 137.3 | 92% | 0.921 | 80% | 0.795 | S | S | * | * | trans | -87.9 | 112.4 | 171.2 | -77.6 | 176 | 49.9 | 0 | 0 | 109.6 | P146 | P146-M148 PolarHBondContact O-N 3.34Š| ||
| 149 | E | 53.7 | Low | 54.4 | Low | 181 Ų | 181 | 140.8 Ų | 140.8 | 85% | 0.846 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -156.4 | 107.2 | 136 | -160.3 | 171.9 | 133.2 | 0 | 0 | 108.4 | ||
| 150 | E | 59 | Low | 55.1 | Low | 192 Ų | 192 | 140.6 Ų | 140.6 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | S | Bend | trans | 53.8 | 81.2 | 156.5 | -55.9 | -95.7 | 143.2 | 0 | 0 | 117.7 | ||
| 151 | G | 53.9 | Low | 55.2 | Low | 68 Ų | 68 | 140.9 Ų | 140.9 | 70% | 0.701 | 80% | 0.8 | S | S | * | * | trans | 166.7 | 124.1 | 162.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | T153 | G151-T153 PolarHBondContact O-N 2.88Š| ||
| 152 | A | 60.7 | Low | 54.5 | Low | 109 Ų | 109 | 139.3 Ų | 139.3 | 90% | 0.901 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -57 | 121.1 | -173.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 153 | T | 57.4 | Low | 54.4 | Low | 135 Ų | 135 | 142.6 Ų | 142.6 | 83% | 0.828 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -87.9 | 118.2 | 171.6 | 49.7 | 0 | 0 | 0 | 0 | 110.7 | G151 L155 | G151-T153 PolarHBondContact O-N 2.88Å; T153-L155 PolarHBondContact O-N 3.02Å |
| 154 | I | 58 | Low | 53.3 | Low | 151 Ų | 151 | 138.9 Ų | 138.9 | 77% | 0.774 | 79% | 0.789 | S | S | * | * | P | Polyproline II helix | trans | -75.7 | 117.5 | 168.1 | -67.4 | 173.8 | 0 | 0 | 0 | 108.3 | V156 | I154-V156 HydrophobicContact CG2-CG2 4.11Å; I154-V156 PolarHBondContact O-N 3.2Å; I154-V156 VanDerWaalsContact O-N 3.13Å |
| 155 | L | 53.5 | Low | 52.6 | Low | 154 Ų | 154 | 140.5 Ų | 140.5 | 81% | 0.806 | 79% | 0.791 | S | S | * | * | trans | -73.2 | 99 | 173 | -163.5 | 85.9 | 0 | 0 | 0 | 109.2 | T153 T157 | T153-L155 PolarHBondContact O-N 3.02Å; L155-T157 HydrophobicContact CD2-CG2 3.91Å; L155-T157 HydrophobicContact CG-CG2 4.25Å; L155-T157 PolarHBondContact O-N 2.87Å | ||
| 156 | V | 57.3 | Low | 51.9 | Low | 122 Ų | 122 | 137.8 Ų | 137.8 | 74% | 0.739 | 79% | 0.785 | S | S | * | * | trans | -86.4 | 103.6 | 169.7 | -176.6 | 0 | 0 | 0 | 0 | 108 | I154 | I154-V156 HydrophobicContact CG2-CG2 4.11Å; I154-V156 PolarHBondContact O-N 3.2Å; I154-V156 VanDerWaalsContact O-N 3.13Å | ||
| 157 | T | 62.3 | Low | 51.5 | Low | 114 Ų | 114 | 139.9 Ų | 139.9 | 70% | 0.699 | 79% | 0.789 | S | S | * | * | trans | -89.7 | 119.2 | 167 | 51.1 | 0 | 0 | 0 | 0 | 108.5 | L155 K159 | L155-T157 HydrophobicContact CD2-CG2 3.91Å; L155-T157 HydrophobicContact CG-CG2 4.25Å; L155-T157 PolarHBondContact O-N 2.87Å; T157-K159 PolarHBondContact O-N 3.15Å | ||
| 158 | T | 68.1 | Low | 50.9 | Low | 121 Ų | 121 | 140.5 Ų | 140.5 | 74% | 0.742 | 78% | 0.784 | S | S | * | * | trans | -76 | 113.4 | 167 | 34 | 0 | 0 | 0 | 0 | 108.3 | T160 | T158-T160 PolarHBondContact O-N 3.46Å; T158-T160 VanDerWaalsContact O-N 3.1Å | ||
| 159 | K | 50.2 | Low | 49.7 | Very low | 202 Ų | 202 | 136 Ų | 136 | 88% | 0.878 | 78% | 0.776 | S | S | * | * | trans | -72.3 | 99.4 | 166.6 | -176.8 | -179.9 | 177.7 | 176.2 | 0 | 108.2 | T157 N161 | T157-K159 PolarHBondContact O-N 3.15Å; K159-N161 PolarHBondContact O-N 3.41Å | ||
| 160 | T | 52.9 | Low | 48.7 | Very low | 109 Ų | 109 | 131.5 Ų | 131.5 | 67% | 0.669 | 77% | 0.771 | S | S | * | * | trans | -70.4 | 116.4 | 165.1 | 44.6 | 0 | 0 | 0 | 0 | 108.3 | T158 | T158-T160 PolarHBondContact O-N 3.46Å; T158-T160 VanDerWaalsContact O-N 3.1Å | ||
| 161 | N | 51.1 | Low | 47.5 | Very low | 138 Ų | 138 | 129.9 Ų | 129.9 | 74% | 0.738 | 77% | 0.767 | S | S | * | * | trans | -84.5 | 105.6 | 162.5 | -174.9 | 14.4 | 0 | 0 | 0 | 106.2 | K159 Y163 | K159-N161 PolarHBondContact O-N 3.41Å; N161-Y163 VanDerWaalsContact C-N 3.33Å; N161-Y163 PolarHBondContact O-N 3.44Å | ||
| 162 | D | 44.2 | Very low | 46.5 | Very low | 133 Ų | 133 | 130.9 Ų | 130.9 | 71% | 0.711 | 76% | 0.764 | S | S | * | * | trans | -64.3 | 96.7 | 171.5 | -73.5 | -43 | 0 | 0 | 0 | 108.9 | ||||
| 163 | Y | 41.8 | Very low | 45.2 | Very low | 193 Ų | 193 | 131.8 Ų | 131.8 | 76% | 0.757 | 76% | 0.758 | S | S | * | * | trans | -112.8 | 88.2 | 149.9 | -132.9 | -92.5 | 0 | 0 | 0 | 106.9 | N161 N165 | N161-Y163 VanDerWaalsContact C-N 3.33Å; N161-Y163 PolarHBondContact O-N 3.44Å; Y163-N165 PolarHBondContact O-N 3.19Å | ||
| 164 | C | 32.9 | Very low | 44.1 | Very low | 105 Ų | 105 | 130.8 Ų | 130.8 | 71% | 0.709 | 75% | 0.751 | S | S | * | * | trans | -58.7 | 102.2 | 166.4 | -93.4 | 0 | 0 | 0 | 0 | 108.6 | S166 | C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 2.92Å; C164-S166 VanDerWaalsContact O-N 3.14Å | ||
| 165 | N | 39.9 | Very low | 42.8 | Very low | 155 Ų | 155 | 131 Ų | 131 | 83% | 0.829 | 75% | 0.749 | S | S | * | * | trans | -75.4 | 91.3 | 156.6 | -78 | -32.7 | 0 | 0 | 0 | 107.9 | Y163 | Y163-N165 PolarHBondContact O-N 3.19Š| ||
| 166 | S | 36 | Very low | 42.1 | Very low | 101 Ų | 101 | 130.1 Ų | 130.1 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | -131.7 | 94.5 | 152.6 | 51.3 | 0 | 0 | 0 | 0 | 108.8 | C164 | C164-S166 VanDerWaalsContact C-N 3.31Å; C164-S166 PolarHBondContact O-N 2.92Å; C164-S166 VanDerWaalsContact O-N 3.14Å | ||
| 167 | L | 36.9 | Very low | 41 | Very low | 163 Ų | 163 | 132.9 Ų | 132.9 | 85% | 0.853 | 75% | 0.749 | S | S | * | * | trans | -62 | 146.2 | 146 | -89.5 | 160.8 | 0 | 0 | 0 | 107 | ||||
| 168 | P | 42.6 | Very low | 40 | Very low | 117 Ų | 117 | 135.3 Ų | 135.3 | 76% | 0.76 | 75% | 0.75 | S | S | * | * | cis | -143.2 | 171.2 | 42.4 | 36.1 | -15.1 | 0 | 0 | 0 | 116.7 | ||||
| 169 | A | 31.1 | Very low | 38.5 | Very low | 92 Ų | 92 | 135.2 Ų | 135.2 | 76% | 0.76 | 75% | 0.754 | S | S | * | * | trans | 78.8 | 101 | 156.8 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 170 | A | 33.5 | Very low | 38.2 | Very low | 88 Ų | 88 | 132 Ų | 132 | 73% | 0.727 | 75% | 0.745 | S | S | * | * | 169.4 | 136.3 | 91.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 171 | L | 33.1 | Very low | 37.5 | Very low | 158 Ų | 158 | 132.7 Ų | 132.7 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | 43.9 | 101.6 | 147.7 | -93.5 | 74.1 | 0 | 0 | 0 | 118.2 | ||||
| 172 | S | 34 | Very low | 36.8 | Very low | 89 Ų | 89 | 130.4 Ų | 130.4 | 62% | 0.622 | 76% | 0.755 | S | S | * | * | 85.1 | 123.8 | 81.7 | 70.6 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 173 | V | 32.8 | Very low | 36.6 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 77% | 0.77 | 78% | 0.778 | S | S | * | * | trans | 74.9 | 128.3 | 150.2 | -177.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 174 | T | 34.3 | Very low | 36.3 | Very low | 114 Ų | 114 | 136.7 Ų | 136.7 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -167.9 | 137.8 | 32.9 | 9.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 175 | E | 31.1 | Very low | 36.5 | Very low | 156 Ų | 156 | 138.3 Ų | 138.3 | 73% | 0.729 | 78% | 0.783 | S | S | * | * | 60.3 | 127.8 | 99.8 | -121.2 | -161.1 | 134.6 | 0 | 0 | 117.8 | |||||
| 176 | I | 37 | Very low | 36.3 | Very low | 136 Ų | 136 | 137.4 Ų | 137.4 | 70% | 0.697 | 78% | 0.78 | S | S | * | * | trans | 72.2 | 128.9 | 154.8 | -45.5 | 153.1 | 0 | 0 | 0 | 114.6 | ||||
| 177 | E | 34.8 | Very low | 36.3 | Very low | 180 Ų | 180 | 139.5 Ų | 139.5 | 84% | 0.841 | 79% | 0.785 | S | S | * | * | -167.6 | 151 | 63.2 | -159.9 | 171 | 143.1 | 0 | 0 | 113.5 | |||||
| 178 | K | 41.9 | Very low | 36.3 | Very low | 164 Ų | 164 | 138.1 Ų | 138.1 | 71% | 0.713 | 78% | 0.781 | S | S | * | * | trans | -79.3 | 140.9 | 172.7 | 169.9 | -173 | -177.9 | -178.3 | 0 | 110.8 | ||||
| 179 | S | 37 | Very low | 35.8 | Very low | 119 Ų | 119 | 139.5 Ų | 139.5 | 83% | 0.832 | 78% | 0.782 | S | S | * | * | trans | -145.6 | 113.7 | 155.6 | 54.3 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 180 | I | 43.4 | Very low | 36.2 | Very low | 136 Ų | 136 | 142.9 Ų | 142.9 | 70% | 0.697 | 78% | 0.783 | S | S | * | * | trans | -68.7 | 138.8 | 164 | -64.7 | 160.8 | 0 | 0 | 0 | 107.7 | ||||
| 181 | S | 38.6 | Very low | 36.4 | Very low | 122 Ų | 122 | 147.1 Ų | 147.1 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -139 | 105.5 | 161.7 | -175.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 182 | A | 36.6 | Very low | 36.7 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 75% | 0.752 | 79% | 0.785 | S | S | * | * | trans | -95.9 | 131.7 | 160.7 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 183 | R | 38.4 | Very low | 36.9 | Very low | 320 Ų | 320 | 151.4 Ų | 151.4 | 100% | 1.208 | 80% | 0.799 | S | S | * | * | trans | -156.4 | 0 | 145.3 | -127.9 | -178.6 | -164 | 163.1 | 5.4 | 109.8 |
Retrieved 183 of 183 residues in 122 ms
(Link to these results)