| 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 | 43.6 | Very low | 68.5 | Low | 241 Ų | 241 | 115.5 Ų | 115.5 | 100% | 1.187 | 61% | 0.611 | S | S | * | * | 0 | 108.1 | 0 | -96.4 | 165 | -177.2 | 0 | 0 | 107.3 | M3 | M1-M3 PolarHBondContact O-N 3.16Š| |||
| 2 | E | 46.8 | Very low | 70.8 | Confident | 198 Ų | 198 | 117 Ų | 117 | 93% | 0.925 | 61% | 0.609 | S | S | * | * | trans | -67.2 | 115.2 | 172.6 | -65.1 | 171.8 | 129 | 0 | 0 | 107.1 | Q4 | E2-Q4 VanDerWaalsContact C-N 3.25Å; E2-Q4 PolarHBondContact O-N 2.78Å | ||
| 3 | M | 51.4 | Low | 72.7 | Confident | 170 Ų | 170 | 119.7 Ų | 119.7 | 84% | 0.837 | 61% | 0.606 | S | S | * | * | trans | -70.9 | 91.2 | 172.7 | -69.5 | 178.7 | 91.4 | 0 | 0 | 106.9 | M1 Q5 | M1-M3 PolarHBondContact O-N 3.16Å; M3-Q5 PolarHBondContact O-N 2.93Å | ||
| 4 | Q | 55.4 | Low | 74.3 | Confident | 132 Ų | 132 | 113.7 Ų | 113.7 | 62% | 0.617 | 58% | 0.575 | S | S | * | * | trans | -59.8 | 111.9 | 176.5 | -160.7 | 173.8 | 20.1 | 0 | 0 | 107.7 | E2 N6 | E2-Q4 VanDerWaalsContact C-N 3.25Å; E2-Q4 PolarHBondContact O-N 2.78Å; Q4-N6 WeakPolarHBondContact CB-ND2 3.43Å; Q4-N6 WeakPolarHBondContact CG-ND2 3.42Å; Q4-N6 PolarHBondContact O-N 2.85Å; Q4-N6 PolarHBondContact O-ND2 3.09Å | ||
| 5 | Q | 60.3 | Low | 75.5 | Confident | 82 Ų | 82 | 113.5 Ų | 113.5 | 38% | 0.383 | 58% | 0.582 | S | S | . | * | trans | -74.6 | 61.9 | -176.1 | -66.3 | -76.5 | -14 | 0 | 0 | 110.4 | M3 | M3-Q5 PolarHBondContact O-N 2.93Š| ||
| 6 | N | 63.8 | Low | 76.7 | Confident | 87 Ų | 87 | 110.5 Ų | 110.5 | 47% | 0.465 | 57% | 0.565 | S | S | . | * | trans | -98.9 | 63.4 | 177.7 | 53.6 | 72.5 | 0 | 0 | 0 | 111.3 | Q4 | Q4-N6 WeakPolarHBondContact CB-ND2 3.43Å; Q4-N6 WeakPolarHBondContact CG-ND2 3.42Å; Q4-N6 PolarHBondContact O-N 2.85Å; Q4-N6 PolarHBondContact O-ND2 3.09Å | ||
| 7 | C | 71.6 | Confident | 77.6 | Confident | 46 Ų | 46 | 111.8 Ų | 111.8 | 31% | 0.311 | 58% | 0.582 | S | S | . | * | trans | -81.4 | 137.7 | 164.7 | -80.9 | 0 | 0 | 0 | 0 | 110.6 | I26 Y28 | C7-I26 WeakPolarHBondContact CB-O 3.47Å; C7-I26 PolarHBondContact SG-O 3.18Å; C7-Y28 WeakPolarHBondContact O-CB 3.28Å | ||
| 8 | S | 82.6 | Confident | 78.3 | Confident | 115 Ų | 115 | 114.5 Ų | 114.5 | 80% | 0.804 | 60% | 0.596 | S | S | * | * | trans | -87.6 | -11.1 | 172.4 | 55.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 9 | I | 90.8 | Very high | 79.2 | Confident | 110 Ų | 110 | 109.8 Ų | 109.8 | 56% | 0.564 | 58% | 0.579 | S | S | * | * | S | Bend | trans | -91.9 | 123.9 | -177.7 | -57.3 | 171.5 | 0 | 0 | 0 | 109.4 | F27 Y28 | I9-F27 HydrophobicContact CB-CD1 4.18Å; I9-F27 HydrophobicContact CG2-CD1 4.03Å; I9-F27 HydrophobicContact CG2-CE1 4.28Å; I9-Y28 VanDerWaalsContact O-CB 3.32Å; I9-Y28 WeakPolarHBondContact O-CB 3.48Å; I9-Y28 PolarHBondContact O-N 2.89Å |
| 10 | S | 93.1 | Very high | 80 | Confident | 86 Ų | 86 | 104.8 Ų | 104.8 | 60% | 0.601 | 55% | 0.553 | S | S | * | * | B | Isolated β-bridge | trans | -57.7 | 140.9 | 178 | -30.7 | 0 | 0 | 0 | 0 | 112.6 | F12 | S10-F12 PolarHBondContact O-N 3.28Å |
| 11 | C | 94.3 | Very high | 80.7 | Confident | 4 Ų | 4 | 104.9 Ų | 104.9 | 3% | 0.027 | 56% | 0.558 | C | S | . | * | trans | -71.4 | 114.4 | 171.3 | -172.8 | 0 | 0 | 0 | 0 | 110.3 | W13 E14 C25 F27 Y28 H29 | C11-W13 PolarHBondContact O-N 2.88Å; C11-E14 HydrophobicContact CB-CB 4.15Å; C11-E14 VanDerWaalsContact O-CB 3.31Å; C11-E14 WeakPolarHBondContact O-CB 3.35Å; C11-E14 PolarHBondContact O-N 2.81Å; C11-E14 VanDerWaalsContact O-N 3.09Å; C11-C25 VanDerWaalsContact SG-SG 3.62Å; C11-F27 HydrophobicContact CB-CB 3.69Å; C11-Y28 WeakPolarHBondContact CB-O 3.4Å; C11-Y28 PolarHBondContact N-O 3.38Å; C11-H29 WeakPolarHBondContact CB-NE2 3.39Å; C11-H29 PolarHBondContact SG-NE2 3.09Å; C11-H29 VanDerWaalsContact SG-NE2 3.41Å | ||
| 12 | F | 95.4 | Very high | 83.1 | Confident | 133 Ų | 133 | 100 Ų | 100 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | G | 310 helix | trans | -55.7 | -37.1 | 175.9 | 172.9 | -100.1 | 0 | 0 | 0 | 113.3 | S10 E14 T15 Q16 | S10-F12 PolarHBondContact O-N 3.28Å; F12-E14 VanDerWaalsContact C-N 3.27Å; F12-E14 PolarHBondContact O-N 3.49Å; F12-T15 PolarHBondContact O-OG1 2.83Å; F12-T15 VanDerWaalsContact O-OG1 3.1Å; F12-Q16 HydrophobicContact CE1-CG 4.34Å |
| 13 | W | 96.6 | Very high | 85.3 | Confident | 152 Ų | 152 | 94.1 Ų | 94.1 | 58% | 0.576 | 50% | 0.504 | S | S | * | . | G | 310 helix | trans | -73.9 | -16.1 | -178.7 | -66.9 | 106.7 | 0 | 0 | 0 | 113.4 | C11 T15 Q16 G19 C20 | C11-W13 PolarHBondContact O-N 2.88Å; W13-T15 PolarHBondContact O-N 3.49Å; W13-Q16 HydrophobicContact CD2-CG 4.41Å; W13-Q16 HydrophobicContact CE3-CB 4Å; W13-Q16 HydrophobicContact CE3-CG 3.53Å; W13-Q16 HydrophobicContact CZ3-CB 4.48Å; W13-Q16 HydrophobicContact CZ3-CG 3.93Å; W13-Q16 PolarHBondContact O-N 3.03Å; W13-G19 CarbonylContact O-C 3.09Å; W13-G19 WeakPolarHBondContact O-CA 3Å; W13-C20 HydrophobicContact CB-CB 3.9Å; W13-C20 PolarHBondContact O-N 2.67Å |
| 14 | E | 94.3 | Very high | 87.1 | Confident | 36 Ų | 36 | 90.1 Ų | 90.1 | 17% | 0.168 | 49% | 0.492 | C | S | . | . | G | 310 helix | trans | -62.1 | -31 | 176.8 | -173.1 | -179.9 | -178.5 | 0 | 0 | 112.2 | C11 F12 H29 S30 K31 | C11-E14 HydrophobicContact CB-CB 4.15Å; C11-E14 VanDerWaalsContact O-CB 3.31Å; C11-E14 WeakPolarHBondContact O-CB 3.35Å; C11-E14 PolarHBondContact O-N 2.81Å; C11-E14 VanDerWaalsContact O-N 3.09Å; F12-E14 VanDerWaalsContact C-N 3.27Å; F12-E14 PolarHBondContact O-N 3.49Å; E14-H29 VanDerWaalsContact OE2-CA 3.28Å; E14-H29 WeakPolarHBondContact OE2-CA 3.38Å; E14-S30 WeakPolarHBondContact OE1-CA 3.36Å; E14-S30 PolarHBondContact OE1-N 3.15Å; E14-S30 PolarHBondContact OE1-OG 3.02Å; E14-S30 PolarHBondContact OE2-N 3.47Å; E14-S30 VanDerWaalsContact OE2-N 3.09Å; E14-K31 PolarHBondContact OE1-N 3.45Å |
| 15 | T | 92.1 | Very high | 88.8 | Confident | 110 Ų | 110 | 84.4 Ų | 84.4 | 68% | 0.675 | 47% | 0.467 | S | S | * | . | G | 310 helix | trans | -89.1 | -1.3 | 180 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | F12 W13 | F12-T15 PolarHBondContact O-OG1 2.83Å; F12-T15 VanDerWaalsContact O-OG1 3.1Å; W13-T15 PolarHBondContact O-N 3.49Å |
| 16 | Q | 94.7 | Very high | 90.3 | Very high | 66 Ų | 66 | 85.1 Ų | 85.1 | 31% | 0.308 | 47% | 0.472 | S | S | . | . | S | Bend | trans | -84.3 | 153.3 | 179.2 | -60.2 | -58.3 | -38.7 | 0 | 0 | 110.4 | F12 W13 L18 G19 | F12-Q16 HydrophobicContact CE1-CG 4.34Å; W13-Q16 HydrophobicContact CD2-CG 4.41Å; W13-Q16 HydrophobicContact CE3-CB 4Å; W13-Q16 HydrophobicContact CE3-CG 3.53Å; W13-Q16 HydrophobicContact CZ3-CB 4.48Å; W13-Q16 HydrophobicContact CZ3-CG 3.93Å; W13-Q16 PolarHBondContact O-N 3.03Å; Q16-L18 PolarHBondContact O-N 3.11Å; Q16-L18 VanDerWaalsContact O-N 3.11Å; Q16-G19 PolarHBondContact O-N 3.1Å |
| 17 | P | 91.9 | Very high | 91.6 | Very high | 133 Ų | 133 | 85.1 Ų | 85.1 | 86% | 0.864 | 47% | 0.468 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.8 | -33.4 | -178.7 | -27.1 | 34.6 | 0 | 0 | 0 | 114.1 | ||
| 18 | L | 91.4 | Very high | 92.6 | Very high | 160 Ų | 160 | 86.1 Ų | 86.1 | 84% | 0.838 | 47% | 0.466 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -13.9 | 177.9 | -74.5 | 156.9 | 0 | 0 | 0 | 113.6 | Q16 | Q16-L18 PolarHBondContact O-N 3.11Å; Q16-L18 VanDerWaalsContact O-N 3.11Å |
| 19 | G | 94.1 | Very high | 93.1 | Very high | 25 Ų | 25 | 80.9 Ų | 80.9 | 26% | 0.258 | 43% | 0.429 | S | S | . | . | trans | 65.2 | -177.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | W13 Q16 | W13-G19 CarbonylContact O-C 3.09Å; W13-G19 WeakPolarHBondContact O-CA 3Å; Q16-G19 PolarHBondContact O-N 3.1Å | ||
| 20 | C | 95.4 | Very high | 93.2 | Very high | 9 Ų | 9 | 78.7 Ų | 78.7 | 6% | 0.061 | 42% | 0.424 | C | S | . | . | trans | -84.5 | 114.3 | 173.7 | -173.3 | 0 | 0 | 0 | 0 | 111.1 | W13 H29 R33 | W13-C20 HydrophobicContact CB-CB 3.9Å; W13-C20 PolarHBondContact O-N 2.67Å; C20-H29 WeakPolarHBondContact CB-NE2 3.32Å; C20-R33 WeakPolarHBondContact O-CD 3.31Å; C20-R33 PolarHBondContact O-NH1 3.47Å; C20-R33 PolarHBondContact SG-NH1 2.88Å | ||
| 21 | V | 94.6 | Very high | 93.2 | Very high | 108 Ų | 108 | 81.2 Ų | 81.2 | 66% | 0.655 | 42% | 0.423 | S | S | * | . | trans | -92.1 | -0.6 | 178 | -60.8 | 0 | 0 | 0 | 0 | 114.1 | I23 | V21-I23 PolarHBondContact O-N 2.98Š| ||
| 22 | K | 94.1 | Very high | 93.1 | Very high | 138 Ų | 138 | 84.2 Ų | 84.2 | 60% | 0.6 | 44% | 0.443 | S | S | * | . | trans | -80.3 | 112.3 | 178 | -171.1 | 171.3 | -178.1 | 170.9 | 0 | 109.7 | S24 C25 R33 | K22-S24 PolarHBondContact O-N 2.95Å; K22-C25 HydrophobicContact CB-CB 4.08Å; K22-C25 HydrophobicContact CG-CB 4.37Å; K22-C25 WeakPolarHBondContact O-CB 3.32Å; K22-C25 PolarHBondContact O-N 3.46Å; K22-R33 PolarHBondContact O-NH1 2.93Å | ||
| 23 | I | 92.5 | Very high | 93 | Very high | 75 Ų | 75 | 79.6 Ų | 79.6 | 39% | 0.385 | 42% | 0.422 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.8 | -50.7 | 179.6 | -62.3 | 174.3 | 0 | 0 | 0 | 110.2 | V21 C25 I35 L38 L40 | V21-I23 PolarHBondContact O-N 2.98Å; I23-C25 VanDerWaalsContact C-N 3.29Å; I23-C25 PolarHBondContact O-N 2.95Å; I23-I35 HydrophobicContact CD1-CG2 4.15Å; I23-I35 HydrophobicContact CG1-CB 4.1Å; I23-I35 HydrophobicContact CG1-CD1 4.18Å; I23-I35 HydrophobicContact CG1-CG2 3.68Å; I23-L38 HydrophobicContact CG2-CD2 3.9Å; I23-L40 HydrophobicContact CB-CD1 4.46Å; I23-L40 HydrophobicContact CG2-CD1 4.13Å; I23-L40 HydrophobicContact CG2-CD2 4.37Å |
| 24 | S | 90.2 | Very high | 92.8 | Very high | 85 Ų | 85 | 77.6 Ų | 77.6 | 59% | 0.594 | 42% | 0.423 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | 48.1 | 177.4 | -46.2 | 0 | 0 | 0 | 0 | 111.7 | K22 I26 | K22-S24 PolarHBondContact O-N 2.95Å; S24-I26 PolarHBondContact O-N 2.86Å |
| 25 | C | 91.8 | Very high | 92.8 | Very high | 13 Ų | 13 | 76.8 Ų | 76.8 | 9% | 0.088 | 42% | 0.419 | C | S | . | . | trans | -72 | 123.6 | 173.2 | -168.7 | 0 | 0 | 0 | 0 | 109.2 | C11 K22 I23 F27 H29 | C11-C25 VanDerWaalsContact SG-SG 3.62Å; K22-C25 HydrophobicContact CB-CB 4.08Å; K22-C25 HydrophobicContact CG-CB 4.37Å; K22-C25 WeakPolarHBondContact O-CB 3.32Å; K22-C25 PolarHBondContact O-N 3.46Å; I23-C25 VanDerWaalsContact C-N 3.29Å; I23-C25 PolarHBondContact O-N 2.95Å; C25-F27 VanDerWaalsContact C-N 3.33Å; C25-H29 VanDerWaalsContact CB-CE1 3.48Å; C25-H29 WeakPolarHBondContact CB-CE1 3.24Å; C25-H29 PolarHBondContact SG-CE1 2.81Å | ||
| 26 | I | 90.4 | Very high | 92.8 | Very high | 97 Ų | 97 | 79 Ų | 79 | 50% | 0.497 | 43% | 0.427 | S | S | . | . | trans | -78.3 | -20.4 | -177.9 | 63 | 174.3 | 0 | 0 | 0 | 112.8 | C7 S24 | C7-I26 WeakPolarHBondContact CB-O 3.47Å; C7-I26 PolarHBondContact SG-O 3.18Å; S24-I26 PolarHBondContact O-N 2.86Å | ||
| 27 | F | 92 | Very high | 92.8 | Very high | 86 Ų | 86 | 78.9 Ų | 78.9 | 38% | 0.377 | 44% | 0.443 | S | S | . | . | S | Bend | trans | -74.4 | 156.3 | -178.5 | -61.7 | -73.6 | 0 | 0 | 0 | 112.3 | I9 C11 C25 H29 | I9-F27 HydrophobicContact CB-CD1 4.18Å; I9-F27 HydrophobicContact CG2-CD1 4.03Å; I9-F27 HydrophobicContact CG2-CE1 4.28Å; C11-F27 HydrophobicContact CB-CB 3.69Å; C25-F27 VanDerWaalsContact C-N 3.33Å; F27-H29 PolarHBondContact O-CE1 3.24Å; F27-H29 PolarHBondContact O-ND1 3.43Å |
| 28 | Y | 92.7 | Very high | 92.9 | Very high | 68 Ų | 68 | 76.6 Ų | 76.6 | 27% | 0.267 | 42% | 0.423 | S | S | . | . | B | Isolated β-bridge | trans | -63.8 | 131.8 | 179.8 | -178.2 | -96.2 | 0 | 0 | 0 | 111.7 | C7 I9 C11 S43 | C7-Y28 WeakPolarHBondContact O-CB 3.28Å; I9-Y28 VanDerWaalsContact O-CB 3.32Å; I9-Y28 WeakPolarHBondContact O-CB 3.48Å; I9-Y28 PolarHBondContact O-N 2.89Å; C11-Y28 WeakPolarHBondContact CB-O 3.4Å; C11-Y28 PolarHBondContact N-O 3.38Å; Y28-S43 VanDerWaalsContact CD2-CB 3.4Å; Y28-S43 WeakPolarHBondContact CE2-O 3.38Å |
| 29 | H | 93.7 | Very high | 93 | Very high | 4 Ų | 4 | 75.4 Ų | 75.4 | 2% | 0.019 | 41% | 0.412 | C | S | . | . | trans | -115.8 | 128.9 | 170.3 | -61.9 | 75.9 | 0 | 0 | 0 | 110.9 | C11 E14 C20 C25 F27 R33 S43 | C11-H29 WeakPolarHBondContact CB-NE2 3.39Å; C11-H29 PolarHBondContact SG-NE2 3.09Å; C11-H29 VanDerWaalsContact SG-NE2 3.41Å; E14-H29 VanDerWaalsContact OE2-CA 3.28Å; E14-H29 WeakPolarHBondContact OE2-CA 3.38Å; C20-H29 WeakPolarHBondContact CB-NE2 3.32Å; C25-H29 VanDerWaalsContact CB-CE1 3.48Å; C25-H29 WeakPolarHBondContact CB-CE1 3.24Å; C25-H29 PolarHBondContact SG-CE1 2.81Å; F27-H29 PolarHBondContact O-CE1 3.24Å; F27-H29 PolarHBondContact O-ND1 3.43Å; H29-R33 PolarHBondContact CD2-NE 3.15Å; H29-R33 PolarHBondContact CE1-NH2 2.82Å; H29-R33 VanDerWaalsContact NE2-CZ 3.34Å; H29-R33 PolarHBondContact NE2-NE 2.91Å; H29-S43 PolarHBondContact N-OG 2.86Å; H29-S43 PolarHBondContact O-N 3.46Å | ||
| 30 | S | 92.4 | Very high | 92.9 | Very high | 65 Ų | 65 | 75.6 Ų | 75.6 | 46% | 0.455 | 41% | 0.407 | S | S | . | . | S | Bend | trans | -81.7 | -25.3 | 176.7 | 69.5 | 0 | 0 | 0 | 0 | 113.3 | E14 | E14-S30 WeakPolarHBondContact OE1-CA 3.36Å; E14-S30 PolarHBondContact OE1-N 3.15Å; E14-S30 PolarHBondContact OE1-OG 3.02Å; E14-S30 PolarHBondContact OE2-N 3.47Å; E14-S30 VanDerWaalsContact OE2-N 3.09Å |
| 31 | K | 92.2 | Very high | 92.8 | Very high | 138 Ų | 138 | 79.4 Ų | 79.4 | 60% | 0.6 | 43% | 0.431 | S | S | * | . | S | Bend | trans | -117 | 149.1 | -175.6 | -65.3 | 161.3 | -173.7 | 173.6 | 0 | 111.4 | E14 | E14-K31 PolarHBondContact OE1-N 3.45Š|
| 32 | P | 92.6 | Very high | 92.7 | Very high | 68 Ų | 68 | 77 Ų | 77 | 44% | 0.442 | 42% | 0.418 | S | S | . | . | trans | -64.9 | 153.6 | 171.2 | 27.1 | -31.4 | 0 | 0 | 0 | 110.7 | F39 L40 P42 | P32-F39 HydrophobicContact CB-CE2 3.56Å; P32-F39 HydrophobicContact CB-CZ 3.62Å; P32-F39 HydrophobicContact CG-CE2 4.29Å; P32-F39 HydrophobicContact CG-CZ 4.42Å; P32-L40 CarbonylContact C-O 3.53Å; P32-L40 VanDerWaalsContact CA-O 3.24Å; P32-L40 WeakPolarHBondContact CA-O 3.25Å; P32-P42 HydrophobicContact CB-CG 4.48Å | ||
| 33 | R | 93 | Very high | 92.4 | Very high | 35 Ų | 35 | 71.5 Ų | 71.5 | 13% | 0.132 | 40% | 0.396 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.5 | 144.8 | 178.4 | -63.5 | -177.9 | -71.5 | 143.7 | 0.2 | 110.5 | C20 K22 H29 I35 L40 | C20-R33 WeakPolarHBondContact O-CD 3.31Å; C20-R33 PolarHBondContact O-NH1 3.47Å; C20-R33 PolarHBondContact SG-NH1 2.88Å; K22-R33 PolarHBondContact O-NH1 2.93Å; H29-R33 PolarHBondContact CD2-NE 3.15Å; H29-R33 PolarHBondContact CE1-NH2 2.82Å; H29-R33 VanDerWaalsContact NE2-CZ 3.34Å; H29-R33 PolarHBondContact NE2-NE 2.91Å; R33-I35 HydrophobicContact CB-CD1 4.46Å; R33-I35 HydrophobicContact CB-CG1 4.35Å; R33-L40 HydrophobicContact CB-CB 4.41Å; R33-L40 PolarHBondContact N-O 2.84Å; R33-L40 PolarHBondContact O-N 2.82Å |
| 34 | N | 93.4 | Very high | 91.7 | Very high | 111 Ų | 111 | 70.8 Ų | 70.8 | 59% | 0.594 | 40% | 0.398 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -111.1 | 119.6 | 166.4 | -170.5 | -82.9 | 0 | 0 | 0 | 108.5 | G37 L38 | N34-G37 PolarHBondContact OD1-N 3.44Å; N34-L38 WeakPolarHBondContact CA-O 3.39Å |
| 35 | I | 93.8 | Very high | 90.4 | Very high | 18 Ų | 18 | 72.9 Ų | 72.9 | 9% | 0.092 | 40% | 0.403 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 115 | -179.1 | -53.5 | 175.8 | 0 | 0 | 0 | 107.1 | I23 R33 G37 L38 L40 | I23-I35 HydrophobicContact CD1-CG2 4.15Å; I23-I35 HydrophobicContact CG1-CB 4.1Å; I23-I35 HydrophobicContact CG1-CD1 4.18Å; I23-I35 HydrophobicContact CG1-CG2 3.68Å; R33-I35 HydrophobicContact CB-CD1 4.46Å; R33-I35 HydrophobicContact CB-CG1 4.35Å; I35-G37 PolarHBondContact O-N 3.41Å; I35-L38 PolarHBondContact N-O 3.24Å; I35-L38 VanDerWaalsContact O-CB 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.28Å; I35-L38 PolarHBondContact O-N 3.23Å; I35-L40 HydrophobicContact CD1-CD1 3.7Å; I35-L40 HydrophobicContact CG1-CD1 4.34Å |
| 36 | N | 92.9 | Very high | 88.6 | Confident | 158 Ų | 158 | 75.5 Ų | 75.5 | 85% | 0.845 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 38.2 | -177.6 | -57 | -17 | 0 | 0 | 0 | 113.3 | L38 | N36-L38 PolarHBondContact O-N 3.23Š|
| 37 | G | 93.4 | Very high | 86.6 | Confident | 63 Ų | 63 | 76.6 Ų | 76.6 | 65% | 0.649 | 43% | 0.43 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 79.2 | -7.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | N34 I35 F39 | N34-G37 PolarHBondContact OD1-N 3.44Å; I35-G37 PolarHBondContact O-N 3.41Å; G37-F39 PolarHBondContact O-N 3.46Å |
| 38 | L | 93.7 | Very high | 84.4 | Confident | 85 Ų | 85 | 80.2 Ų | 80.2 | 45% | 0.445 | 45% | 0.452 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.4 | 119 | 173.5 | -176.7 | 63.5 | 0 | 0 | 0 | 110.1 | I23 N34 I35 N36 L40 | I23-L38 HydrophobicContact CG2-CD2 3.9Å; N34-L38 WeakPolarHBondContact CA-O 3.39Å; I35-L38 PolarHBondContact N-O 3.24Å; I35-L38 VanDerWaalsContact O-CB 3.25Å; I35-L38 WeakPolarHBondContact O-CB 3.28Å; I35-L38 PolarHBondContact O-N 3.23Å; N36-L38 PolarHBondContact O-N 3.23Å; L38-L40 HydrophobicContact CD2-CD2 3.68Å; L38-L40 HydrophobicContact CD2-CG 4.34Å; L38-L40 HydrophobicContact CG-CD2 3.9Å; L38-L40 HydrophobicContact CG-CG 4.3Å |
| 39 | F | 93.8 | Very high | 82.1 | Confident | 135 Ų | 135 | 85.7 Ų | 85.7 | 59% | 0.592 | 48% | 0.48 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -79.5 | 119.1 | 169.7 | -179.7 | -96.5 | 0 | 0 | 0 | 110.1 | P32 G37 P41 | P32-F39 HydrophobicContact CB-CE2 3.56Å; P32-F39 HydrophobicContact CB-CZ 3.62Å; P32-F39 HydrophobicContact CG-CE2 4.29Å; P32-F39 HydrophobicContact CG-CZ 4.42Å; G37-F39 PolarHBondContact O-N 3.46Å; F39-P41 HydrophobicContact CE1-CB 4.35Å |
| 40 | L | 91.9 | Very high | 79.7 | Confident | 29 Ų | 29 | 93.5 Ų | 93.5 | 15% | 0.152 | 51% | 0.514 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 119.5 | 174.2 | -61.4 | 176.1 | 0 | 0 | 0 | 108.7 | I23 P32 R33 I35 L38 | I23-L40 HydrophobicContact CB-CD1 4.46Å; I23-L40 HydrophobicContact CG2-CD1 4.13Å; I23-L40 HydrophobicContact CG2-CD2 4.37Å; P32-L40 CarbonylContact C-O 3.53Å; P32-L40 VanDerWaalsContact CA-O 3.24Å; P32-L40 WeakPolarHBondContact CA-O 3.25Å; R33-L40 HydrophobicContact CB-CB 4.41Å; R33-L40 PolarHBondContact N-O 2.84Å; R33-L40 PolarHBondContact O-N 2.82Å; I35-L40 HydrophobicContact CD1-CD1 3.7Å; I35-L40 HydrophobicContact CG1-CD1 4.34Å; L38-L40 HydrophobicContact CD2-CD2 3.68Å; L38-L40 HydrophobicContact CD2-CG 4.34Å; L38-L40 HydrophobicContact CG-CD2 3.9Å; L38-L40 HydrophobicContact CG-CG 4.3Å |
| 41 | P | 92.9 | Very high | 77.2 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 57% | 0.571 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -68.1 | 164.7 | 177.7 | 29.8 | -34.9 | 0 | 0 | 0 | 111.5 | F39 | F39-P41 HydrophobicContact CE1-CB 4.35Š|
| 42 | P | 92.7 | Very high | 74.9 | Confident | 58 Ų | 58 | 95.9 Ų | 95.9 | 38% | 0.377 | 53% | 0.532 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 155.2 | 167.5 | -21.4 | 32.7 | 0 | 0 | 0 | 112 | P32 S44 | P32-P42 HydrophobicContact CB-CG 4.48Å; P42-S44 PolarHBondContact O-N 2.8Å |
| 43 | S | 89.3 | Confident | 72.5 | Confident | 22 Ų | 22 | 100.4 Ų | 100.4 | 15% | 0.154 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -65.6 | 132.1 | 172.3 | -64.8 | 0 | 0 | 0 | 0 | 110.1 | Y28 H29 N45 | Y28-S43 VanDerWaalsContact CD2-CB 3.4Å; Y28-S43 WeakPolarHBondContact CE2-O 3.38Å; H29-S43 PolarHBondContact N-OG 2.86Å; H29-S43 PolarHBondContact O-N 3.46Å; S43-N45 PolarHBondContact O-N 3.33Å |
| 44 | S | 76.9 | Confident | 70.2 | Confident | 60 Ų | 60 | 107.4 Ų | 107.4 | 42% | 0.42 | 58% | 0.582 | S | S | . | * | P | Polyproline II helix | trans | -71.9 | 126.4 | 176.3 | 55.8 | 0 | 0 | 0 | 0 | 110.2 | P42 T46 | P42-S44 PolarHBondContact O-N 2.8Å; S44-T46 PolarHBondContact O-N 3.48Å; S44-T46 PolarHBondContact OG-OG1 2.98Å |
| 45 | N | 62.5 | Low | 67.3 | Low | 129 Ų | 129 | 105.4 Ų | 105.4 | 69% | 0.69 | 59% | 0.588 | S | S | * | * | trans | -78.3 | 33.2 | 171.5 | 70.6 | -18.2 | 0 | 0 | 0 | 111.8 | S43 T47 | S43-N45 PolarHBondContact O-N 3.33Å; N45-T47 PolarHBondContact O-N 3.27Å; N45-T47 PolarHBondContact O-OG1 2.92Å | ||
| 46 | T | 53.9 | Low | 64.3 | Low | 68 Ų | 68 | 110 Ų | 110 | 42% | 0.417 | 62% | 0.621 | S | S | . | * | trans | -65 | 87.9 | -178.8 | 47.1 | 0 | 0 | 0 | 0 | 108.4 | S44 L48 | S44-T46 PolarHBondContact O-N 3.48Å; S44-T46 PolarHBondContact OG-OG1 2.98Å; T46-L48 PolarHBondContact O-N 3.31Å; T46-L48 VanDerWaalsContact O-N 3.09Å | ||
| 47 | T | 48.8 | Very low | 62.3 | Low | 121 Ų | 121 | 108.7 Ų | 108.7 | 74% | 0.742 | 62% | 0.621 | S | S | * | * | trans | -46 | 116 | 156.9 | -5.6 | 0 | 0 | 0 | 0 | 105.6 | N45 Q49 | N45-T47 PolarHBondContact O-N 3.27Å; N45-T47 PolarHBondContact O-OG1 2.92Å; T47-Q49 PolarHBondContact O-N 3.29Å | ||
| 48 | L | 46.5 | Very low | 59.5 | Low | 161 Ų | 161 | 110.9 Ų | 110.9 | 84% | 0.843 | 63% | 0.626 | S | S | * | * | trans | -31.7 | 92.7 | 170.5 | -175.4 | 78.3 | 0 | 0 | 0 | 111.7 | T46 | T46-L48 PolarHBondContact O-N 3.31Å; T46-L48 VanDerWaalsContact O-N 3.09Å | ||
| 49 | Q | 42.7 | Very low | 57.8 | Low | 183 Ų | 183 | 112.2 Ų | 112.2 | 86% | 0.855 | 64% | 0.64 | S | S | * | * | trans | -133.2 | 64.8 | 171.2 | -77.7 | -76.3 | 3 | 0 | 0 | 106.7 | T47 | T47-Q49 PolarHBondContact O-N 3.29Š| ||
| 50 | K | 43.3 | Very low | 55.3 | Low | 168 Ų | 168 | 112.2 Ų | 112.2 | 73% | 0.73 | 65% | 0.652 | S | S | * | * | trans | -157.9 | 92.7 | 158 | -162.8 | 165.9 | -176.3 | 175.3 | 0 | 106.1 | ||||
| 51 | E | 40.8 | Very low | 53 | Low | 145 Ų | 145 | 119.3 Ų | 119.3 | 68% | 0.678 | 68% | 0.684 | S | S | * | * | 115.5 | 98.1 | 74.6 | 178.7 | -158.6 | 129.7 | 0 | 0 | 104.6 | |||||
| 52 | S | 44.6 | Very low | 50.7 | Low | 109 Ų | 109 | 119.5 Ų | 119.5 | 76% | 0.762 | 69% | 0.687 | S | S | * | * | S | Bend | trans | -92.8 | 116.8 | 158.4 | 178.1 | 0 | 0 | 0 | 0 | 106.7 | ||
| 53 | Q | 41.1 | Very low | 48.8 | Very low | 162 Ų | 162 | 126.6 Ų | 126.6 | 76% | 0.757 | 72% | 0.715 | S | S | * | * | trans | 73.7 | 106.1 | 158.6 | -69.5 | -170.4 | -38.5 | 0 | 0 | 120.2 | ||||
| 54 | E | 46 | Very low | 46.7 | Very low | 183 Ų | 183 | 132.8 Ų | 132.8 | 86% | 0.855 | 74% | 0.742 | S | S | * | * | 54.3 | 107.8 | 110.7 | -157.4 | 167.3 | 109.4 | 0 | 0 | 118 | |||||
| 55 | G | 32.1 | Very low | 45.4 | Very low | 69 Ų | 69 | 135 Ų | 135 | 71% | 0.711 | 76% | 0.758 | S | S | * | * | trans | 170.6 | 89.4 | 165.7 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 56 | S | 30.8 | Very low | 44.8 | Very low | 114 Ų | 114 | 136.4 Ų | 136.4 | 80% | 0.797 | 76% | 0.764 | S | S | * | * | trans | 81.3 | 136 | 156.4 | 85.3 | 0 | 0 | 0 | 0 | 120 | ||||
| 57 | P | 49.6 | Very low | 45.1 | Very low | 130 Ų | 130 | 141 Ų | 141 | 84% | 0.844 | 78% | 0.778 | S | S | * | * | trans | -89.7 | 127.2 | 167.5 | 34.3 | -26.1 | 0 | 0 | 0 | 109.6 | ||||
| 58 | S | 36.4 | Very low | 45.2 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | trans | -127.1 | 127.7 | 157.2 | 72.4 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 59 | P | 56.2 | Low | 45.8 | Very low | 114 Ų | 114 | 140.2 Ų | 140.2 | 74% | 0.74 | 77% | 0.773 | S | S | * | * | trans | -84.8 | 171.2 | -174.1 | 36.4 | -34.4 | 0 | 0 | 0 | 111.2 | ||||
| 60 | T | 42 | Very low | 46.6 | Very low | 135 Ų | 135 | 139.9 Ų | 139.9 | 83% | 0.828 | 77% | 0.771 | S | S | * | * | trans | 90.6 | 105.4 | 168.3 | -29.6 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 61 | Q | 43.8 | Very low | 47.5 | Very low | 177 Ų | 177 | 137.1 Ų | 137.1 | 83% | 0.827 | 77% | 0.765 | S | S | * | * | 175.3 | 137.9 | 104.7 | -168.7 | 163.8 | -3.8 | 0 | 0 | 110.1 | |||||
| 62 | S | 44.1 | Very low | 48.5 | Very low | 92 Ų | 92 | 136.3 Ų | 136.3 | 64% | 0.643 | 77% | 0.77 | S | S | * | * | trans | 69.8 | 84.6 | 167.5 | 26.3 | 0 | 0 | 0 | 0 | 117.1 | E64 | S62-E64 PolarHBondContact O-N 3.09Å; S62-E64 VanDerWaalsContact O-N 3.16Å | ||
| 63 | Q | 53 | Low | 49.8 | Very low | 207 Ų | 207 | 136.6 Ų | 136.6 | 97% | 0.967 | 77% | 0.772 | S | S | * | * | trans | -57.7 | 104.1 | 138.2 | -74.5 | -178.4 | -42.7 | 0 | 0 | 108.4 | ||||
| 64 | E | 45.9 | Very low | 51.3 | Low | 153 Ų | 153 | 139.5 Ų | 139.5 | 72% | 0.715 | 78% | 0.775 | S | S | * | * | trans | -115.9 | 107.3 | 146 | 54.3 | -172.4 | 89.8 | 0 | 0 | 107.3 | S62 L66 | S62-E64 PolarHBondContact O-N 3.09Å; S62-E64 VanDerWaalsContact O-N 3.16Å; E64-L66 PolarHBondContact O-N 2.96Å | ||
| 65 | S | 49.2 | Very low | 52.9 | Low | 107 Ų | 107 | 136.4 Ų | 136.4 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | trans | -57.2 | 101.5 | 178.1 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | K67 | S65-K67 PolarHBondContact O-N 3.24Š| ||
| 66 | L | 50.7 | Low | 55.3 | Low | 157 Ų | 157 | 141.8 Ų | 141.8 | 82% | 0.822 | 78% | 0.782 | S | S | * | * | trans | -69.2 | 86.2 | 163.1 | -64.6 | -179.8 | 0 | 0 | 0 | 106.4 | E64 | E64-L66 PolarHBondContact O-N 2.96Š| ||
| 67 | K | 59.2 | Low | 57.6 | Low | 164 Ų | 164 | 141.9 Ų | 141.9 | 71% | 0.713 | 77% | 0.77 | S | S | * | * | trans | -50.8 | 133.8 | 164.9 | -53.8 | -148.1 | -49 | 168.3 | 0 | 106.9 | S65 M69 | S65-K67 PolarHBondContact O-N 3.24Å; K67-M69 PolarHBondContact O-N 2.65Å | ||
| 68 | P | 51.2 | Low | 59.3 | Low | 106 Ų | 106 | 141.9 Ų | 141.9 | 69% | 0.688 | 76% | 0.758 | S | S | * | * | trans | -56.4 | 111 | 165.2 | -17.1 | 29.5 | 0 | 0 | 0 | 106.3 | E70 | P68-E70 HydrophobicContact CB-CG 4.15Å; P68-E70 PolarHBondContact O-N 3.38Å | ||
| 69 | M | 59.3 | Low | 61.5 | Low | 160 Ų | 160 | 142.5 Ų | 142.5 | 79% | 0.788 | 76% | 0.759 | S | S | * | * | trans | -68.9 | 82.1 | 169.1 | -113.3 | -83.5 | -164.8 | 0 | 0 | 104.9 | K67 N71 | K67-M69 PolarHBondContact O-N 2.65Å; M69-N71 VanDerWaalsContact CB-OD1 3.28Å; M69-N71 WeakPolarHBondContact CB-OD1 3.17Å; M69-N71 PolarHBondContact O-N 3.33Å; M69-N71 PolarHBondContact O-OD1 3.39Å; M69-N71 VanDerWaalsContact O-OD1 3.11Å; M69-N71 HydrophobicContact SD-CB 3.95Å; M69-N71 PolarHBondContact SD-OD1 3.1Å | ||
| 70 | E | 59.8 | Low | 63 | Low | 176 Ų | 176 | 143.2 Ų | 143.2 | 82% | 0.822 | 76% | 0.756 | S | S | * | * | trans | -74.4 | 40.2 | 172.2 | -68.5 | -176.5 | 106.7 | 0 | 0 | 110.2 | P68 V72 | P68-E70 HydrophobicContact CB-CG 4.15Å; P68-E70 PolarHBondContact O-N 3.38Å; E70-V72 PolarHBondContact O-N 3.24Å | ||
| 71 | N | 61.7 | Low | 65.1 | Low | 111 Ų | 111 | 142.8 Ų | 142.8 | 59% | 0.594 | 75% | 0.753 | S | S | * | * | trans | -79.2 | 43.8 | 174.2 | 64.9 | -77.2 | 0 | 0 | 0 | 111 | M69 S73 | M69-N71 VanDerWaalsContact CB-OD1 3.28Å; M69-N71 WeakPolarHBondContact CB-OD1 3.17Å; M69-N71 PolarHBondContact O-N 3.33Å; M69-N71 PolarHBondContact O-OD1 3.39Å; M69-N71 VanDerWaalsContact O-OD1 3.11Å; M69-N71 HydrophobicContact SD-CB 3.95Å; M69-N71 PolarHBondContact SD-OD1 3.1Å; N71-S73 PolarHBondContact O-N 3.33Å | ||
| 72 | V | 62.3 | Low | 67.1 | Low | 128 Ų | 128 | 142 Ų | 142 | 78% | 0.776 | 75% | 0.754 | S | S | * | * | trans | -90.5 | 90.7 | 164.4 | -166.7 | 0 | 0 | 0 | 0 | 106 | E70 R74 | E70-V72 PolarHBondContact O-N 3.24Å; V72-R74 PolarHBondContact O-N 3.18Å; V72-R74 VanDerWaalsContact O-N 3.15Å | ||
| 73 | S | 71.8 | Confident | 68.8 | Low | 115 Ų | 115 | 146.3 Ų | 146.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -56.6 | 121.8 | 174.3 | -66.7 | 0 | 0 | 0 | 0 | 109.1 | N71 | N71-S73 PolarHBondContact O-N 3.33Š|
| 74 | R | 72.1 | Confident | 70.2 | Confident | 222 Ų | 222 | 142.2 Ų | 142.2 | 84% | 0.838 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 142.7 | 176.2 | -73.1 | -179.6 | 150.6 | -155.6 | -6.5 | 109.8 | V72 I76 | V72-R74 PolarHBondContact O-N 3.18Å; V72-R74 VanDerWaalsContact O-N 3.15Å; R74-I76 PolarHBondContact O-N 3.3Å |
| 75 | P | 79.1 | Confident | 71.5 | Confident | 118 Ų | 118 | 142.2 Ų | 142.2 | 77% | 0.766 | 76% | 0.755 | S | S | * | * | P | Polyproline II helix | trans | -54.3 | 131.1 | 172 | -23.5 | 32.9 | 0 | 0 | 0 | 110.5 | H77 | P75-H77 PolarHBondContact O-N 3.11Š|
| 76 | I | 82.4 | Confident | 72.6 | Confident | 182 Ų | 182 | 146.2 Ų | 146.2 | 93% | 0.933 | 76% | 0.759 | S | S | * | * | S | Bend | trans | -78.6 | -1.1 | -177.9 | -54.8 | 169.6 | 0 | 0 | 0 | 111 | R74 | R74-I76 PolarHBondContact O-N 3.3Š|
| 77 | H | 80.8 | Confident | 73.6 | Confident | 117 Ų | 117 | 147.5 Ų | 147.5 | 54% | 0.542 | 76% | 0.761 | S | S | . | * | S | Bend | trans | -125 | 147.2 | -175.1 | -156.9 | -92.8 | 0 | 0 | 0 | 112.4 | P75 | P75-H77 PolarHBondContact O-N 3.11Š|
| 78 | H | 83.9 | Confident | 73.9 | Confident | 130 Ų | 130 | 148.1 Ų | 148.1 | 60% | 0.602 | 77% | 0.767 | S | S | * | * | P | Polyproline II helix | trans | -66.1 | 150.4 | 173.6 | 48.8 | -127.8 | 0 | 0 | 0 | 111.1 | L80 | H78-L80 PolarHBondContact O-N 2.87Š|
| 79 | P | 83.3 | Confident | 74.6 | Confident | 121 Ų | 121 | 151.8 Ų | 151.8 | 79% | 0.786 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -59.1 | 131.6 | 173.3 | -20 | 31.4 | 0 | 0 | 0 | 110.5 | ||
| 80 | L | 87.7 | Confident | 74.9 | Confident | 129 Ų | 129 | 153.1 Ų | 153.1 | 68% | 0.675 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 125.1 | 174.7 | -63.7 | 176.5 | 0 | 0 | 0 | 109 | H78 | H78-L80 PolarHBondContact O-N 2.87Š|
| 81 | V | 85.6 | Confident | 74.9 | Confident | 127 Ų | 127 | 153.9 Ų | 153.9 | 77% | 0.77 | 78% | 0.782 | S | S | * | * | trans | -98.2 | 108.4 | 172.9 | -179 | 0 | 0 | 0 | 0 | 107.8 | K83 | V81-K83 PolarHBondContact O-N 3.42Š| ||
| 82 | L | 85.3 | Confident | 74.8 | Confident | 160 Ų | 160 | 157.6 Ų | 157.6 | 84% | 0.838 | 80% | 0.796 | S | S | * | * | trans | -77.7 | 115.9 | 171.6 | -61.7 | 176.4 | 0 | 0 | 0 | 108.2 | T84 | L82-T84 PolarHBondContact O-N 3.04Š| ||
| 83 | K | 81.4 | Confident | 74.6 | Confident | 183 Ų | 183 | 161 Ų | 161 | 80% | 0.796 | 80% | 0.803 | S | S | * | * | trans | -82.4 | 110.8 | 170.1 | -63.3 | -175.9 | -177.8 | -176.1 | 0 | 107.2 | V81 N85 | V81-K83 PolarHBondContact O-N 3.42Å; K83-N85 PolarHBondContact O-N 3.44Å | ||
| 84 | T | 80.7 | Confident | 73.9 | Confident | 120 Ų | 120 | 164.5 Ų | 164.5 | 74% | 0.736 | 81% | 0.807 | S | S | * | * | trans | -77 | 106.4 | 167 | 54.8 | 0 | 0 | 0 | 0 | 107 | L82 F86 | L82-T84 PolarHBondContact O-N 3.04Å; T84-F86 VanDerWaalsContact C-N 3.26Å; T84-F86 PolarHBondContact O-N 3.3Å | ||
| 85 | N | 74.5 | Confident | 73.3 | Confident | 154 Ų | 154 | 160.4 Ų | 160.4 | 82% | 0.824 | 80% | 0.798 | S | S | * | * | trans | -73.7 | 89.1 | 165.4 | -68.8 | 75.1 | 0 | 0 | 0 | 106.6 | K83 E87 | K83-N85 PolarHBondContact O-N 3.44Å; N85-E87 PolarHBondContact O-N 3.35Å | ||
| 86 | F | 71.3 | Confident | 71.9 | Confident | 190 Ų | 190 | 160.8 Ų | 160.8 | 83% | 0.833 | 80% | 0.8 | S | S | * | * | trans | -78.2 | 100.1 | 167.3 | -130.3 | -97.7 | 0 | 0 | 0 | 105.8 | T84 E88 | T84-F86 VanDerWaalsContact C-N 3.26Å; T84-F86 PolarHBondContact O-N 3.3Å; F86-E88 PolarHBondContact O-N 3.25Å | ||
| 87 | E | 71.6 | Confident | 70.7 | Confident | 184 Ų | 184 | 157.9 Ų | 157.9 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -75 | 108.2 | 162.8 | -150.9 | 158.9 | -150.9 | 0 | 0 | 104.4 | N85 E89 | N85-E87 PolarHBondContact O-N 3.35Å; E87-E89 VanDerWaalsContact C-N 3.29Å; E87-E89 PolarHBondContact O-N 2.97Å | ||
| 88 | E | 66.1 | Low | 69.6 | Low | 177 Ų | 177 | 158 Ų | 158 | 83% | 0.827 | 79% | 0.791 | S | S | * | * | trans | -66.7 | 92.8 | 174.5 | -175.6 | 173.9 | -165.2 | 0 | 0 | 106.5 | F86 E90 | F86-E88 PolarHBondContact O-N 3.25Å; E88-E90 PolarHBondContact O-N 3Å | ||
| 89 | E | 66.1 | Low | 68.3 | Low | 184 Ų | 184 | 156.8 Ų | 156.8 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | trans | -61.4 | 113 | 161.3 | -99.8 | -177 | 152 | 0 | 0 | 106.3 | E87 E91 | E87-E89 VanDerWaalsContact C-N 3.29Å; E87-E89 PolarHBondContact O-N 2.97Å; E89-E91 PolarHBondContact O-N 2.96Å | ||
| 90 | E | 64.8 | Low | 67.3 | Low | 188 Ų | 188 | 155.1 Ų | 155.1 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -55 | 107.8 | 167.8 | -79.8 | -179.7 | 148.6 | 0 | 0 | 107.8 | E88 E92 | E88-E90 PolarHBondContact O-N 3Å; E90-E92 PolarHBondContact O-N 3.17Å | ||
| 91 | E | 60.9 | Low | 66 | Low | 191 Ų | 191 | 154 Ų | 154 | 89% | 0.893 | 80% | 0.798 | S | S | * | * | trans | -62.2 | 115.6 | 165.3 | -82.1 | -177.1 | 157.4 | 0 | 0 | 107.6 | E89 E93 | E89-E91 PolarHBondContact O-N 2.96Å; E91-E93 PolarHBondContact O-N 3.2Å | ||
| 92 | E | 60 | Low | 64.8 | Low | 190 Ų | 190 | 156.2 Ų | 156.2 | 89% | 0.888 | 81% | 0.805 | S | S | * | * | trans | -54.1 | 123.3 | 164 | -79.5 | -167.3 | 153.1 | 0 | 0 | 108.4 | E90 E94 | E90-E92 PolarHBondContact O-N 3.17Å; E92-E94 PolarHBondContact O-N 3.39Å | ||
| 93 | E | 57.2 | Low | 63.5 | Low | 198 Ų | 198 | 159.2 Ų | 159.2 | 93% | 0.925 | 81% | 0.805 | S | S | * | * | trans | -58.9 | 93 | 177.1 | -169.7 | -179.8 | -162.6 | 0 | 0 | 109.9 | E91 E95 | E91-E93 PolarHBondContact O-N 3.2Å; E93-E95 PolarHBondContact O-N 3.37Å | ||
| 94 | E | 57.4 | Low | 62.6 | Low | 189 Ų | 189 | 156.9 Ų | 156.9 | 88% | 0.883 | 81% | 0.806 | S | S | * | * | trans | -80.8 | 108.4 | 167.7 | -155.1 | -175.4 | -168.1 | 0 | 0 | 109 | E92 | E92-E94 PolarHBondContact O-N 3.39Š| ||
| 95 | E | 58.6 | Low | 61 | Low | 137 Ų | 137 | 164.4 Ų | 164.4 | 64% | 0.64 | 83% | 0.829 | S | S | * | * | trans | -49.3 | 125.1 | 178.2 | -153 | -117.4 | 139.3 | 0 | 0 | 112.3 | E93 N97 | E93-E95 PolarHBondContact O-N 3.37Å; E95-N97 VanDerWaalsContact C-N 3.35Å; E95-N97 PolarHBondContact O-N 3Å | ||
| 96 | P | 50.6 | Low | 60.3 | Low | 125 Ų | 125 | 165 Ų | 165 | 81% | 0.812 | 83% | 0.829 | S | S | * | * | trans | -82.9 | 80.8 | 175.1 | 32.5 | -32.7 | 0 | 0 | 0 | 110.3 | D98 | P96-D98 PolarHBondContact O-N 3.36Š| ||
| 97 | N | 57.8 | Low | 59.8 | Low | 122 Ų | 122 | 163.6 Ų | 163.6 | 65% | 0.652 | 83% | 0.829 | S | S | * | * | trans | -88.4 | 97.1 | 169 | -154.8 | -87.4 | 0 | 0 | 0 | 111.6 | E95 | E95-N97 VanDerWaalsContact C-N 3.35Å; E95-N97 PolarHBondContact O-N 3Å | ||
| 98 | D | 57.7 | Low | 59.1 | Low | 118 Ų | 118 | 162.5 Ų | 162.5 | 63% | 0.631 | 83% | 0.827 | S | S | * | * | trans | 50.3 | 93.2 | 144.3 | -134 | -44.9 | 0 | 0 | 0 | 119.1 | P96 S100 | P96-D98 PolarHBondContact O-N 3.36Å; D98-S100 PolarHBondContact OD1-N 2.88Å; D98-S100 PolarHBondContact OD1-OG 3.19Å | ||
| 99 | A | 56 | Low | 58.7 | Low | 106 Ų | 106 | 161.6 Ų | 161.6 | 88% | 0.876 | 83% | 0.827 | S | S | * | * | trans | -129.8 | 49.6 | 153.4 | 0 | 0 | 0 | 0 | 0 | 110.7 | S101 | A99-S101 VanDerWaalsContact C-N 3.28Š| ||
| 100 | S | 61.4 | Low | 58.2 | Low | 85 Ų | 85 | 160.3 Ų | 160.3 | 59% | 0.594 | 83% | 0.825 | S | S | * | * | trans | -84.1 | 4.7 | 175.1 | 67.9 | 0 | 0 | 0 | 0 | 114.1 | D98 | D98-S100 PolarHBondContact OD1-N 2.88Å; D98-S100 PolarHBondContact OD1-OG 3.19Å | ||
| 101 | S | 61.4 | Low | 57.8 | Low | 105 Ų | 105 | 158.4 Ų | 158.4 | 73% | 0.734 | 82% | 0.821 | S | S | * | * | trans | -103.5 | 6 | -168.3 | -125.1 | 0 | 0 | 0 | 0 | 117.3 | A99 | A99-S101 VanDerWaalsContact C-N 3.28Š| ||
| 102 | L | 60.4 | Low | 57.6 | Low | 175 Ų | 175 | 156.1 Ų | 156.1 | 92% | 0.916 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -115.7 | 30 | -172.1 | -134.2 | 102.9 | 0 | 0 | 0 | 116.7 | ||
| 103 | W | 58.6 | Low | 57.4 | Low | 223 Ų | 223 | 153.5 Ų | 153.5 | 85% | 0.845 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -131.1 | 46.3 | 166.9 | 63.6 | -68.1 | 0 | 0 | 0 | 111 | ||
| 104 | T | 61.9 | Low | 57.4 | Low | 134 Ų | 134 | 149.8 Ų | 149.8 | 82% | 0.822 | 80% | 0.801 | S | S | * | * | trans | -133 | 100.4 | 156.2 | -29.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 105 | K | 47.1 | Very low | 57.4 | Low | 278 Ų | 278 | 146.2 Ų | 146.2 | 100% | 1.209 | 79% | 0.794 | S | S | * | * | 164.6 | 0 | 125.2 | -163.7 | 156.5 | 168.9 | -177.3 | 0 | 111.9 |
Retrieved 105 of 105 residues in 28.6 ms
(Link to these results)