| 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 | 63.9 | Low | 77.1 | Confident | 188 Ų | 188 | 133 Ų | 133 | 93% | 0.926 | 62% | 0.618 | S | S | * | * | 0 | -84.2 | 0 | -70.1 | -171.7 | 81.5 | 0 | 0 | 114 | H3 Q4 L5 | M1-H3 PolarHBondContact O-N 3.28Å; M1-Q4 WeakPolarHBondContact O-CA 3.17Å; M1-Q4 WeakPolarHBondContact O-CB 3.01Å; M1-Q4 PolarHBondContact O-N 2.94Å; M1-L5 PolarHBondContact O-N 3.35Å | |||
| 2 | K | 74.1 | Confident | 77.4 | Confident | 186 Ų | 186 | 132 Ų | 132 | 81% | 0.809 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -52.4 | -47.4 | -163.7 | -150.3 | 177.1 | -174.4 | -176.4 | 0 | 115.2 | Q4 L5 Q6 | K2-Q4 PolarHBondContact O-N 3.4Å; K2-L5 PolarHBondContact O-N 2.95Å; K2-Q6 PolarHBondContact O-N 3.01Å |
| 3 | H | 74.5 | Confident | 77.7 | Confident | 162 Ų | 162 | 131.8 Ų | 131.8 | 75% | 0.75 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -65 | -31 | 173.3 | -79.9 | -65 | 0 | 0 | 0 | 114.8 | M1 Y7 | M1-H3 PolarHBondContact O-N 3.28Å; H3-Y7 VanDerWaalsContact O-CB 3.31Å; H3-Y7 WeakPolarHBondContact O-CB 3.27Å; H3-Y7 PolarHBondContact O-N 3.07Å |
| 4 | Q | 74.3 | Confident | 78.1 | Confident | 132 Ų | 132 | 127.4 Ų | 127.4 | 62% | 0.617 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -73.2 | -36.3 | 174.6 | -69.6 | 163 | -57.7 | 0 | 0 | 111.3 | M1 K2 Y7 C8 | M1-Q4 WeakPolarHBondContact O-CA 3.17Å; M1-Q4 WeakPolarHBondContact O-CB 3.01Å; M1-Q4 PolarHBondContact O-N 2.94Å; K2-Q4 PolarHBondContact O-N 3.4Å; Q4-Y7 PolarHBondContact O-N 2.8Å; Q4-C8 WeakPolarHBondContact O-CB 3.31Å; Q4-C8 PolarHBondContact O-N 3.45Å; Q4-C8 PolarHBondContact O-SG 2.7Å; Q4-C8 VanDerWaalsContact O-SG 3.32Å |
| 5 | L | 75.8 | Confident | 78.5 | Confident | 110 Ų | 110 | 127.3 Ų | 127.3 | 58% | 0.576 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -63.3 | -46.3 | 173.5 | -159.8 | 84.2 | 0 | 0 | 0 | 110.1 | M1 K2 C8 Q9 | M1-L5 PolarHBondContact O-N 3.35Å; K2-L5 PolarHBondContact O-N 2.95Å; L5-C8 PolarHBondContact O-N 2.79Å; L5-Q9 WeakPolarHBondContact O-CG 3.43Å; L5-Q9 PolarHBondContact O-N 2.97Å |
| 6 | Q | 78.5 | Confident | 78.8 | Confident | 91 Ų | 91 | 127.4 Ų | 127.4 | 43% | 0.425 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -62.2 | -45.1 | 176.1 | -176.2 | 176.4 | -12.5 | 0 | 0 | 112.1 | K2 C8 Q9 E10 | K2-Q6 PolarHBondContact O-N 3.01Å; Q6-C8 VanDerWaalsContact C-N 3.32Å; Q6-C8 PolarHBondContact O-N 2.74Å; Q6-Q9 PolarHBondContact O-N 2.89Å; Q6-Q9 VanDerWaalsContact O-N 3.16Å; Q6-E10 HydrophobicContact CG-CG 4.42Å; Q6-E10 VanDerWaalsContact CG-OE1 3.27Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.31Å; Q6-E10 PolarHBondContact NE2-OE1 2.97Å; Q6-E10 WeakPolarHBondContact O-CB 3.3Å; Q6-E10 WeakPolarHBondContact O-CG 3.49Å; Q6-E10 PolarHBondContact O-N 3.41Å |
| 7 | Y | 81.6 | Confident | 79 | Confident | 153 Ų | 153 | 125.8 Ų | 125.8 | 60% | 0.6 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -63 | -36.7 | 175.6 | -179.4 | -105.1 | 0 | 0 | 0 | 112.6 | H3 Q4 R11 | H3-Y7 VanDerWaalsContact O-CB 3.31Å; H3-Y7 WeakPolarHBondContact O-CB 3.27Å; H3-Y7 PolarHBondContact O-N 3.07Å; Q4-Y7 PolarHBondContact O-N 2.8Å; Y7-R11 WeakPolarHBondContact O-CB 3.22Å; Y7-R11 PolarHBondContact O-N 3.01Å |
| 8 | C | 79.7 | Confident | 79.3 | Confident | 78 Ų | 78 | 125.2 Ų | 125.2 | 53% | 0.527 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -64.5 | -45.5 | 171.1 | -74.2 | 0 | 0 | 0 | 0 | 111.5 | Q4 L5 Q6 R11 E12 | Q4-C8 WeakPolarHBondContact O-CB 3.31Å; Q4-C8 PolarHBondContact O-N 3.45Å; Q4-C8 PolarHBondContact O-SG 2.7Å; Q4-C8 VanDerWaalsContact O-SG 3.32Å; L5-C8 PolarHBondContact O-N 2.79Å; Q6-C8 VanDerWaalsContact C-N 3.32Å; Q6-C8 PolarHBondContact O-N 2.74Å; C8-R11 CarbonylContact O-C 3.5Å; C8-R11 PolarHBondContact O-N 3.29Å; C8-E12 WeakPolarHBondContact O-CB 3.39Å; C8-E12 PolarHBondContact O-N 2.93Å |
| 9 | Q | 80.8 | Confident | 79.6 | Confident | 114 Ų | 114 | 125.1 Ų | 125.1 | 53% | 0.533 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.5 | -38.9 | 178.1 | -72.9 | 174.3 | -41.9 | 0 | 0 | 112.8 | L5 Q6 E12 K13 | L5-Q9 WeakPolarHBondContact O-CG 3.43Å; L5-Q9 PolarHBondContact O-N 2.97Å; Q6-Q9 PolarHBondContact O-N 2.89Å; Q6-Q9 VanDerWaalsContact O-N 3.16Å; Q9-E12 PolarHBondContact O-N 3.18Å; Q9-K13 VanDerWaalsContact O-CB 3.24Å; Q9-K13 WeakPolarHBondContact O-CB 3.47Å; Q9-K13 PolarHBondContact O-N 2.91Å |
| 10 | E | 81.4 | Confident | 79.8 | Confident | 101 Ų | 101 | 124.7 Ų | 124.7 | 47% | 0.472 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -68.5 | -38.7 | 174.1 | -73.1 | 167.8 | -173 | 0 | 0 | 111.5 | Q6 T14 | Q6-E10 HydrophobicContact CG-CG 4.42Å; Q6-E10 VanDerWaalsContact CG-OE1 3.27Å; Q6-E10 WeakPolarHBondContact CG-OE1 3.31Å; Q6-E10 PolarHBondContact NE2-OE1 2.97Å; Q6-E10 WeakPolarHBondContact O-CB 3.3Å; Q6-E10 WeakPolarHBondContact O-CG 3.49Å; Q6-E10 PolarHBondContact O-N 3.41Å; E10-T14 WeakPolarHBondContact O-CB 3.08Å; E10-T14 WeakPolarHBondContact O-CG2 2.99Å; E10-T14 PolarHBondContact O-N 2.88Å; E10-T14 PolarHBondContact O-OG1 2.91Å |
| 11 | R | 83.3 | Confident | 80.1 | Confident | 148 Ų | 148 | 124.5 Ų | 124.5 | 56% | 0.558 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -68.8 | -34.7 | 173.5 | -170.4 | 179.2 | -175.6 | -161.6 | 2.8 | 112.9 | Y7 C8 T14 K15 | Y7-R11 WeakPolarHBondContact O-CB 3.22Å; Y7-R11 PolarHBondContact O-N 3.01Å; C8-R11 CarbonylContact O-C 3.5Å; C8-R11 PolarHBondContact O-N 3.29Å; R11-T14 VanDerWaalsContact CA-OG1 3.29Å; R11-T14 WeakPolarHBondContact CA-OG1 3.28Å; R11-T14 PolarHBondContact O-OG1 3.1Å; R11-T14 VanDerWaalsContact O-OG1 3.1Å; R11-K15 WeakPolarHBondContact O-CG 3.42Å; R11-K15 PolarHBondContact O-N 3.44Å |
| 12 | E | 80.3 | Confident | 81.1 | Confident | 121 Ų | 121 | 118.7 Ų | 118.7 | 57% | 0.565 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -71.4 | -45.9 | 176.9 | -167.7 | 151.5 | -118.1 | 0 | 0 | 110 | C8 Q9 T14 K15 E16 | C8-E12 WeakPolarHBondContact O-CB 3.39Å; C8-E12 PolarHBondContact O-N 2.93Å; Q9-E12 PolarHBondContact O-N 3.18Å; E12-T14 PolarHBondContact O-N 3.23Å; E12-K15 CarbonylContact O-C 3.56Å; E12-K15 WeakPolarHBondContact O-CA 3.4Å; E12-K15 WeakPolarHBondContact O-CB 2.94Å; E12-K15 PolarHBondContact O-N 3.32Å; E12-K15 VanDerWaalsContact O-N 3.09Å; E12-E16 WeakPolarHBondContact O-CG 3.38Å; E12-E16 PolarHBondContact O-N 3.32Å |
| 13 | K | 82.2 | Confident | 81.7 | Confident | 129 Ų | 129 | 117.4 Ų | 117.4 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.9 | -39.7 | 173.8 | -171 | 172.8 | -176.5 | 177 | 0 | 113.3 | Q9 K15 E16 Q17 | Q9-K13 VanDerWaalsContact O-CB 3.24Å; Q9-K13 WeakPolarHBondContact O-CB 3.47Å; Q9-K13 PolarHBondContact O-N 2.91Å; K13-K15 VanDerWaalsContact C-N 3.34Å; K13-E16 PolarHBondContact O-N 2.82Å; K13-Q17 WeakPolarHBondContact O-CB 3.32Å; K13-Q17 VanDerWaalsContact O-CG 3.3Å; K13-Q17 WeakPolarHBondContact O-CG 3.45Å; K13-Q17 PolarHBondContact O-N 2.9Å |
| 14 | T | 83.1 | Confident | 82.2 | Confident | 70 Ų | 70 | 112.6 Ų | 112.6 | 43% | 0.429 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -69.4 | -31 | 173.7 | 45 | 0 | 0 | 0 | 0 | 112.4 | E10 R11 E12 L18 | E10-T14 WeakPolarHBondContact O-CB 3.08Å; E10-T14 WeakPolarHBondContact O-CG2 2.99Å; E10-T14 PolarHBondContact O-N 2.88Å; E10-T14 PolarHBondContact O-OG1 2.91Å; R11-T14 VanDerWaalsContact CA-OG1 3.29Å; R11-T14 WeakPolarHBondContact CA-OG1 3.28Å; R11-T14 PolarHBondContact O-OG1 3.1Å; R11-T14 VanDerWaalsContact O-OG1 3.1Å; E12-T14 PolarHBondContact O-N 3.23Å; T14-L18 WeakPolarHBondContact O-CB 3.49Å; T14-L18 VanDerWaalsContact O-CG 3.29Å; T14-L18 WeakPolarHBondContact O-CG 3.27Å; T14-L18 PolarHBondContact O-N 3.09Å |
| 15 | K | 83.3 | Confident | 82.7 | Confident | 127 Ų | 127 | 109.7 Ų | 109.7 | 55% | 0.552 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.4 | -46.6 | 167.9 | -78.9 | 178.5 | 173.2 | -170.6 | 0 | 111.8 | R11 E12 K13 Q17 L18 L19 | R11-K15 WeakPolarHBondContact O-CG 3.42Å; R11-K15 PolarHBondContact O-N 3.44Å; E12-K15 CarbonylContact O-C 3.56Å; E12-K15 WeakPolarHBondContact O-CA 3.4Å; E12-K15 WeakPolarHBondContact O-CB 2.94Å; E12-K15 PolarHBondContact O-N 3.32Å; E12-K15 VanDerWaalsContact O-N 3.09Å; K13-K15 VanDerWaalsContact C-N 3.34Å; K15-Q17 VanDerWaalsContact C-N 3.32Å; K15-Q17 PolarHBondContact O-N 3.21Å; K15-L18 PolarHBondContact O-N 2.62Å; K15-L19 WeakPolarHBondContact O-CB 3.13Å; K15-L19 PolarHBondContact O-N 3.08Å |
| 16 | E | 83.3 | Confident | 83.1 | Confident | 129 Ų | 129 | 107.9 Ų | 107.9 | 60% | 0.603 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -57.6 | -46 | 176.2 | -71.1 | 176.1 | 147.7 | 0 | 0 | 110.7 | E12 K13 L18 L19 E20 | E12-E16 WeakPolarHBondContact O-CG 3.38Å; E12-E16 PolarHBondContact O-N 3.32Å; K13-E16 PolarHBondContact O-N 2.82Å; E16-L18 PolarHBondContact O-N 3.4Å; E16-L19 PolarHBondContact O-N 2.8Å; E16-E20 VanDerWaalsContact O-CB 3.29Å; E16-E20 WeakPolarHBondContact O-CB 3.41Å; E16-E20 PolarHBondContact O-N 3.48Å |
| 17 | Q | 83.5 | Confident | 83.4 | Confident | 100 Ų | 100 | 110 Ų | 110 | 47% | 0.467 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.1 | -43.8 | 175.6 | -72 | 178.4 | -66.7 | 0 | 0 | 112.6 | K13 K15 L19 E20 E21 | K13-Q17 WeakPolarHBondContact O-CB 3.32Å; K13-Q17 VanDerWaalsContact O-CG 3.3Å; K13-Q17 WeakPolarHBondContact O-CG 3.45Å; K13-Q17 PolarHBondContact O-N 2.9Å; K15-Q17 VanDerWaalsContact C-N 3.32Å; K15-Q17 PolarHBondContact O-N 3.21Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.4Å; Q17-E20 PolarHBondContact O-N 2.69Å; Q17-E21 WeakPolarHBondContact O-CB 3.46Å; Q17-E21 WeakPolarHBondContact O-CG 3.34Å; Q17-E21 PolarHBondContact O-N 2.89Å |
| 18 | L | 84.3 | Confident | 83.6 | Confident | 114 Ų | 114 | 108.8 Ų | 108.8 | 60% | 0.597 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -67.9 | -30.2 | 175.6 | -73 | 168.6 | 0 | 0 | 0 | 112.9 | T14 K15 E16 S22 | T14-L18 WeakPolarHBondContact O-CB 3.49Å; T14-L18 VanDerWaalsContact O-CG 3.29Å; T14-L18 WeakPolarHBondContact O-CG 3.27Å; T14-L18 PolarHBondContact O-N 3.09Å; K15-L18 PolarHBondContact O-N 2.62Å; E16-L18 PolarHBondContact O-N 3.4Å; L18-S22 WeakPolarHBondContact O-CB 3.37Å; L18-S22 PolarHBondContact O-N 3.42Å |
| 19 | L | 83.7 | Confident | 83.8 | Confident | 124 Ų | 124 | 110.6 Ų | 110.6 | 65% | 0.649 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -74.3 | -39.9 | 175 | -124.5 | 148.5 | 0 | 0 | 0 | 111.2 | K15 E16 Q17 S22 Y23 | K15-L19 WeakPolarHBondContact O-CB 3.13Å; K15-L19 PolarHBondContact O-N 3.08Å; E16-L19 PolarHBondContact O-N 2.8Å; Q17-L19 VanDerWaalsContact C-N 3.32Å; Q17-L19 PolarHBondContact O-N 3.4Å; L19-S22 PolarHBondContact O-N 3.28Å; L19-Y23 WeakPolarHBondContact O-CB 2.85Å; L19-Y23 PolarHBondContact O-N 2.74Å |
| 20 | E | 85.3 | Confident | 84 | Confident | 116 Ų | 116 | 111.5 Ų | 111.5 | 54% | 0.542 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.4 | -46.3 | 173.1 | -172.7 | 66 | -134.4 | 0 | 0 | 110.7 | E16 Q17 Y23 N24 | E16-E20 VanDerWaalsContact O-CB 3.29Å; E16-E20 WeakPolarHBondContact O-CB 3.41Å; E16-E20 PolarHBondContact O-N 3.48Å; Q17-E20 PolarHBondContact O-N 2.69Å; E20-Y23 PolarHBondContact O-N 3.16Å; E20-N24 WeakPolarHBondContact O-CB 3.04Å; E20-N24 PolarHBondContact O-N 2.74Å; E20-N24 PolarHBondContact O-ND2 3.16Å; E20-N24 PolarHBondContact OE1-ND2 2.82Å |
| 21 | E | 85.2 | Confident | 84.2 | Confident | 122 Ų | 122 | 110.9 Ų | 110.9 | 57% | 0.57 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.6 | -47.5 | 172.7 | -76 | 174.8 | -175.6 | 0 | 0 | 111.1 | Q17 Y23 N24 T25 | Q17-E21 WeakPolarHBondContact O-CB 3.46Å; Q17-E21 WeakPolarHBondContact O-CG 3.34Å; Q17-E21 PolarHBondContact O-N 2.89Å; E21-Y23 VanDerWaalsContact C-N 3.33Å; E21-Y23 PolarHBondContact O-N 3.48Å; E21-N24 PolarHBondContact O-N 2.81Å; E21-T25 PolarHBondContact O-N 3.1Å; E21-T25 PolarHBondContact O-OG1 2.94Å |
| 22 | S | 84 | Confident | 84.3 | Confident | 66 Ų | 66 | 106.9 Ų | 106.9 | 46% | 0.462 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -62.4 | -36.9 | 176.9 | -174.4 | 0 | 0 | 0 | 0 | 112.8 | L18 L19 T25 T26 | L18-S22 WeakPolarHBondContact O-CB 3.37Å; L18-S22 PolarHBondContact O-N 3.42Å; L19-S22 PolarHBondContact O-N 3.28Å; S22-T25 WeakPolarHBondContact CA-OG1 3.41Å; S22-T25 PolarHBondContact O-OG1 3.42Å; S22-T26 VanDerWaalsContact O-CB 3.28Å; S22-T26 WeakPolarHBondContact O-CB 3.2Å; S22-T26 PolarHBondContact O-N 2.8Å; S22-T26 PolarHBondContact O-OG1 2.93Å |
| 23 | Y | 86.8 | Confident | 84.4 | Confident | 158 Ų | 158 | 104.6 Ų | 104.6 | 62% | 0.62 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -72 | -42.8 | 178.1 | -169.3 | -98.5 | 0 | 0 | 0 | 110.7 | L19 E20 E21 T26 R27 | L19-Y23 WeakPolarHBondContact O-CB 2.85Å; L19-Y23 PolarHBondContact O-N 2.74Å; E20-Y23 PolarHBondContact O-N 3.16Å; E21-Y23 VanDerWaalsContact C-N 3.33Å; E21-Y23 PolarHBondContact O-N 3.48Å; Y23-T26 PolarHBondContact O-N 2.81Å; Y23-R27 VanDerWaalsContact O-CB 3.26Å; Y23-R27 WeakPolarHBondContact O-CB 3.35Å; Y23-R27 PolarHBondContact O-N 3.28Å |
| 24 | N | 85.1 | Confident | 84.6 | Confident | 61 Ų | 61 | 102.6 Ų | 102.6 | 33% | 0.326 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -38 | 175.8 | -75.5 | -65.5 | 0 | 0 | 0 | 112.5 | E20 E21 R27 Q28 | E20-N24 WeakPolarHBondContact O-CB 3.04Å; E20-N24 PolarHBondContact O-N 2.74Å; E20-N24 PolarHBondContact O-ND2 3.16Å; E20-N24 PolarHBondContact OE1-ND2 2.82Å; E21-N24 PolarHBondContact O-N 2.81Å; N24-R27 PolarHBondContact O-N 2.94Å; N24-Q28 WeakPolarHBondContact O-CB 3.2Å; N24-Q28 VanDerWaalsContact O-CG 3.28Å; N24-Q28 WeakPolarHBondContact O-CG 3.17Å; N24-Q28 PolarHBondContact O-N 2.72Å |
| 25 | T | 84.6 | Confident | 84.7 | Confident | 71 Ų | 71 | 103.3 Ų | 103.3 | 44% | 0.436 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.8 | -38.3 | 171.5 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | E21 S22 R27 Q28 L29 | E21-T25 PolarHBondContact O-N 3.1Å; E21-T25 PolarHBondContact O-OG1 2.94Å; S22-T25 WeakPolarHBondContact CA-OG1 3.41Å; S22-T25 PolarHBondContact O-OG1 3.42Å; T25-R27 VanDerWaalsContact C-N 3.32Å; T25-R27 PolarHBondContact O-N 3.45Å; T25-Q28 PolarHBondContact O-N 3.48Å; T25-L29 WeakPolarHBondContact O-CB 3.5Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.45Å; T25-L29 PolarHBondContact O-N 2.67Å |
| 26 | T | 84.6 | Confident | 84.8 | Confident | 73 Ų | 73 | 101.9 Ų | 101.9 | 45% | 0.448 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 174.1 | -59.2 | 0 | 0 | 0 | 0 | 110.6 | S22 Y23 L29 Q30 | S22-T26 VanDerWaalsContact O-CB 3.28Å; S22-T26 WeakPolarHBondContact O-CB 3.2Å; S22-T26 PolarHBondContact O-N 2.8Å; S22-T26 PolarHBondContact O-OG1 2.93Å; Y23-T26 PolarHBondContact O-N 2.81Å; T26-L29 PolarHBondContact O-N 2.78Å; T26-Q30 WeakPolarHBondContact O-CB 3.49Å; T26-Q30 PolarHBondContact O-N 2.87Å |
| 27 | R | 85.4 | Confident | 84.8 | Confident | 135 Ų | 135 | 103 Ų | 103 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.5 | -45.9 | 175.7 | 179.9 | 179.1 | 174.1 | 158.2 | 5.2 | 112.2 | Y23 N24 T25 L29 Q30 E31 | Y23-R27 VanDerWaalsContact O-CB 3.26Å; Y23-R27 WeakPolarHBondContact O-CB 3.35Å; Y23-R27 PolarHBondContact O-N 3.28Å; N24-R27 PolarHBondContact O-N 2.94Å; T25-R27 VanDerWaalsContact C-N 3.32Å; T25-R27 PolarHBondContact O-N 3.45Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 3.39Å; R27-Q30 PolarHBondContact O-N 3.05Å; R27-Q30 VanDerWaalsContact O-N 3.16Å; R27-E31 HydrophobicContact CG-CG 4.44Å; R27-E31 IonicContact CZ-OE1 3.99Å; R27-E31 IonicContact NE-OE1 3.84Å; R27-E31 PolarHBondContact NE-OE1 3.25Å; R27-E31 IonicContact NH2-OE1 2.64Å; R27-E31 PolarHBondContact NH2-OE1 2.77Å; R27-E31 WeakPolarHBondContact O-CB 3.29Å; R27-E31 WeakPolarHBondContact O-CG 3.41Å; R27-E31 PolarHBondContact O-N 3.49Å |
| 28 | Q | 85.2 | Confident | 84.9 | Confident | 127 Ų | 127 | 103.7 Ų | 103.7 | 59% | 0.593 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62 | -39.6 | 175.9 | -75.3 | 172.8 | 5.3 | 0 | 0 | 112 | N24 T25 S32 | N24-Q28 WeakPolarHBondContact O-CB 3.2Å; N24-Q28 VanDerWaalsContact O-CG 3.28Å; N24-Q28 WeakPolarHBondContact O-CG 3.17Å; N24-Q28 PolarHBondContact O-N 2.72Å; T25-Q28 PolarHBondContact O-N 3.48Å; Q28-S32 VanDerWaalsContact O-CB 3.27Å; Q28-S32 WeakPolarHBondContact O-CB 3.49Å; Q28-S32 PolarHBondContact O-N 2.88Å |
| 29 | L | 84.3 | Confident | 85 | Confident | 117 Ų | 117 | 101 Ų | 101 | 61% | 0.613 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.2 | -41.8 | 172.5 | -73.1 | 169.4 | 0 | 0 | 0 | 111.5 | T25 T26 R27 S32 V33 | T25-L29 WeakPolarHBondContact O-CB 3.5Å; T25-L29 VanDerWaalsContact O-CG 3.31Å; T25-L29 WeakPolarHBondContact O-CG 3.45Å; T25-L29 PolarHBondContact O-N 2.67Å; T26-L29 PolarHBondContact O-N 2.78Å; R27-L29 VanDerWaalsContact C-N 3.33Å; R27-L29 PolarHBondContact O-N 3.39Å; L29-S32 PolarHBondContact O-N 3.47Å; L29-V33 WeakPolarHBondContact O-CB 3.46Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 2.71Å |
| 30 | Q | 84.8 | Confident | 85 | Confident | 132 Ų | 132 | 98.3 Ų | 98.3 | 62% | 0.617 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -66.7 | -44.3 | 178.9 | -162.1 | 168 | 14.8 | 0 | 0 | 111.6 | T26 R27 S32 V33 T34 | T26-Q30 WeakPolarHBondContact O-CB 3.49Å; T26-Q30 PolarHBondContact O-N 2.87Å; R27-Q30 PolarHBondContact O-N 3.05Å; R27-Q30 VanDerWaalsContact O-N 3.16Å; Q30-S32 VanDerWaalsContact C-N 3.33Å; Q30-S32 PolarHBondContact O-N 3.33Å; Q30-V33 PolarHBondContact O-N 3.4Å; Q30-T34 PolarHBondContact O-N 3.3Å; Q30-T34 PolarHBondContact O-OG1 3Å |
| 31 | E | 86.2 | Confident | 85 | Confident | 89 Ų | 89 | 93.9 Ų | 93.9 | 42% | 0.416 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.4 | -38 | 171.9 | -71.4 | 175.2 | -172.7 | 0 | 0 | 111.4 | R27 N35 | R27-E31 HydrophobicContact CG-CG 4.44Å; R27-E31 IonicContact CZ-OE1 3.99Å; R27-E31 IonicContact NE-OE1 3.84Å; R27-E31 PolarHBondContact NE-OE1 3.25Å; R27-E31 IonicContact NH2-OE1 2.64Å; R27-E31 PolarHBondContact NH2-OE1 2.77Å; R27-E31 WeakPolarHBondContact O-CB 3.29Å; R27-E31 WeakPolarHBondContact O-CG 3.41Å; R27-E31 PolarHBondContact O-N 3.49Å; E31-N35 WeakPolarHBondContact O-CB 3.36Å; E31-N35 PolarHBondContact O-N 2.85Å; E31-N35 PolarHBondContact O-ND2 2.95Å |
| 32 | S | 84.5 | Confident | 85 | Confident | 63 Ų | 63 | 93 Ų | 93 | 44% | 0.441 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -67.2 | -38.7 | 173.6 | -173.1 | 0 | 0 | 0 | 0 | 112.8 | Q28 L29 Q30 N35 L36 | Q28-S32 VanDerWaalsContact O-CB 3.27Å; Q28-S32 WeakPolarHBondContact O-CB 3.49Å; Q28-S32 PolarHBondContact O-N 2.88Å; L29-S32 PolarHBondContact O-N 3.47Å; Q30-S32 VanDerWaalsContact C-N 3.33Å; Q30-S32 PolarHBondContact O-N 3.33Å; S32-N35 PolarHBondContact O-N 3.01Å; S32-L36 WeakPolarHBondContact O-CG 3.2Å; S32-L36 PolarHBondContact O-N 3.42Å |
| 33 | V | 84 | Confident | 85 | Confident | 73 Ų | 73 | 96.6 Ų | 96.6 | 44% | 0.442 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.3 | -43.3 | 176 | 165.5 | 0 | 0 | 0 | 0 | 110.5 | L29 Q30 N35 L36 F37 | L29-V33 WeakPolarHBondContact O-CB 3.46Å; L29-V33 VanDerWaalsContact O-CG2 3.3Å; L29-V33 WeakPolarHBondContact O-CG2 3.24Å; L29-V33 PolarHBondContact O-N 2.71Å; Q30-V33 PolarHBondContact O-N 3.4Å; V33-N35 PolarHBondContact O-N 3.24Å; V33-L36 PolarHBondContact O-N 2.71Å; V33-L36 VanDerWaalsContact O-N 3.15Å; V33-F37 HydrophobicContact CG1-CD2 3.71Å; V33-F37 HydrophobicContact CG1-CE2 3.6Å; V33-F37 WeakPolarHBondContact O-CD2 2.91Å; V33-F37 PolarHBondContact O-N 2.84Å |
| 34 | T | 85.6 | Confident | 85 | Confident | 87 Ų | 87 | 95 Ų | 95 | 53% | 0.534 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.1 | -44.3 | 174.3 | -56.4 | 0 | 0 | 0 | 0 | 111.6 | Q30 L36 F37 Q38 | Q30-T34 PolarHBondContact O-N 3.3Å; Q30-T34 PolarHBondContact O-OG1 3Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.3Å; T34-F37 PolarHBondContact O-N 3.09Å; T34-Q38 PolarHBondContact O-N 3.18Å |
| 35 | N | 85.1 | Confident | 85 | Confident | 85 Ų | 85 | 97 Ų | 97 | 46% | 0.455 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61 | -37.8 | 173.8 | -85 | -70.2 | 0 | 0 | 0 | 112.7 | E31 S32 V33 Q39 | E31-N35 WeakPolarHBondContact O-CB 3.36Å; E31-N35 PolarHBondContact O-N 2.85Å; E31-N35 PolarHBondContact O-ND2 2.95Å; S32-N35 PolarHBondContact O-N 3.01Å; V33-N35 PolarHBondContact O-N 3.24Å; N35-Q39 WeakPolarHBondContact O-CB 3.27Å; N35-Q39 WeakPolarHBondContact O-CG 3.11Å; N35-Q39 PolarHBondContact O-N 3.48Å |
| 36 | L | 85.2 | Confident | 85.1 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 51% | 0.508 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.3 | -42.4 | 176.2 | -75.6 | 169.2 | 0 | 0 | 0 | 112 | S32 V33 T34 Q38 Q39 V40 | S32-L36 WeakPolarHBondContact O-CG 3.2Å; S32-L36 PolarHBondContact O-N 3.42Å; V33-L36 PolarHBondContact O-N 2.71Å; V33-L36 VanDerWaalsContact O-N 3.15Å; T34-L36 VanDerWaalsContact C-N 3.32Å; T34-L36 PolarHBondContact O-N 3.3Å; L36-Q38 PolarHBondContact O-N 2.71Å; L36-Q39 PolarHBondContact O-N 3.34Å; L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.38Å |
| 37 | F | 84.5 | Confident | 85.1 | Confident | 153 Ų | 153 | 101.2 Ų | 101.2 | 67% | 0.671 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -60.6 | -43.6 | 174.3 | -85.6 | -67 | 0 | 0 | 0 | 112.2 | V33 T34 Q39 V40 G41 | V33-F37 HydrophobicContact CG1-CD2 3.71Å; V33-F37 HydrophobicContact CG1-CE2 3.6Å; V33-F37 WeakPolarHBondContact O-CD2 2.91Å; V33-F37 PolarHBondContact O-N 2.84Å; T34-F37 PolarHBondContact O-N 3.09Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 3.45Å; F37-V40 PolarHBondContact O-N 2.82Å; F37-G41 PolarHBondContact O-N 2.74Å |
| 38 | Q | 85.1 | Confident | 85.2 | Confident | 115 Ų | 115 | 100.5 Ų | 100.5 | 54% | 0.537 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 174.6 | -175.4 | 179.5 | -30.9 | 0 | 0 | 111.4 | T34 L36 V40 G41 E42 | T34-Q38 PolarHBondContact O-N 3.18Å; L36-Q38 PolarHBondContact O-N 2.71Å; Q38-V40 VanDerWaalsContact C-N 3.27Å; Q38-V40 PolarHBondContact O-N 2.72Å; Q38-G41 PolarHBondContact O-N 3.33Å; Q38-E42 HydrophobicContact CG-CG 4.48Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.31Å; Q38-E42 PolarHBondContact NE2-OE1 2.6Å; Q38-E42 WeakPolarHBondContact O-CG 2.87Å; Q38-E42 PolarHBondContact O-N 3.46Å |
| 39 | Q | 85 | Confident | 85.2 | Confident | 56 Ų | 56 | 101.4 Ų | 101.4 | 26% | 0.262 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -23 | 178.1 | -70.3 | 172.7 | 33.9 | 0 | 0 | 114.1 | N35 L36 F37 R43 | N35-Q39 WeakPolarHBondContact O-CB 3.27Å; N35-Q39 WeakPolarHBondContact O-CG 3.11Å; N35-Q39 PolarHBondContact O-N 3.48Å; L36-Q39 PolarHBondContact O-N 3.34Å; F37-Q39 VanDerWaalsContact C-N 3.34Å; F37-Q39 PolarHBondContact O-N 3.45Å; Q39-R43 WeakPolarHBondContact O-CD 3.49Å; Q39-R43 VanDerWaalsContact O-CG 3.24Å; Q39-R43 WeakPolarHBondContact O-CG 3.29Å; Q39-R43 PolarHBondContact O-N 3.43Å |
| 40 | V | 84.6 | Confident | 85.3 | Confident | 69 Ų | 69 | 100.9 Ų | 100.9 | 42% | 0.418 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -73.4 | -51.1 | 169.8 | 170.7 | 0 | 0 | 0 | 0 | 109.7 | L36 F37 Q38 E42 R43 E44 | L36-V40 WeakPolarHBondContact O-CG2 3.47Å; L36-V40 PolarHBondContact O-N 3.38Å; F37-V40 PolarHBondContact O-N 2.82Å; Q38-V40 VanDerWaalsContact C-N 3.27Å; Q38-V40 PolarHBondContact O-N 2.72Å; V40-E42 VanDerWaalsContact C-N 3.32Å; V40-E42 PolarHBondContact O-N 3.19Å; V40-R43 CarbonylContact O-C 3.45Å; V40-R43 WeakPolarHBondContact O-CA 3.48Å; V40-R43 WeakPolarHBondContact O-CB 3.3Å; V40-R43 PolarHBondContact O-N 2.74Å; V40-E44 HydrophobicContact CG1-CG 4.26Å; V40-E44 WeakPolarHBondContact O-CG 3.44Å; V40-E44 PolarHBondContact O-N 3.4Å |
| 41 | G | 85.6 | Confident | 85.4 | Confident | 23 Ų | 23 | 97.5 Ų | 97.5 | 24% | 0.237 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -59.5 | -38.3 | 177.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | F37 Q38 R43 E44 N45 | F37-G41 PolarHBondContact O-N 2.74Å; Q38-G41 PolarHBondContact O-N 3.33Å; G41-R43 VanDerWaalsContact C-N 3.33Å; G41-R43 PolarHBondContact O-N 2.76Å; G41-E44 PolarHBondContact O-N 2.69Å; G41-N45 WeakPolarHBondContact O-CB 3.46Å; G41-N45 PolarHBondContact O-N 3.03Å; G41-N45 PolarHBondContact O-ND2 2.8Å |
| 42 | E | 85.7 | Confident | 85.4 | Confident | 103 Ų | 103 | 97.4 Ų | 97.4 | 48% | 0.481 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -59.8 | -41.3 | 171.8 | -75.4 | 169.9 | -174.2 | 0 | 0 | 112.1 | Q38 V40 L46 | Q38-E42 HydrophobicContact CG-CG 4.48Å; Q38-E42 WeakPolarHBondContact CG-OE1 3.31Å; Q38-E42 PolarHBondContact NE2-OE1 2.6Å; Q38-E42 WeakPolarHBondContact O-CG 2.87Å; Q38-E42 PolarHBondContact O-N 3.46Å; V40-E42 VanDerWaalsContact C-N 3.32Å; V40-E42 PolarHBondContact O-N 3.19Å; E42-L46 PolarHBondContact O-N 2.84Å; E42-L46 VanDerWaalsContact O-N 3.1Å |
| 43 | R | 83.8 | Confident | 85.5 | Confident | 141 Ų | 141 | 98.5 Ų | 98.5 | 53% | 0.532 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.2 | -40.8 | 178.7 | -77.9 | 171.4 | 164.6 | -169.7 | -9.6 | 112.6 | Q39 V40 G41 L46 L47 | Q39-R43 WeakPolarHBondContact O-CD 3.49Å; Q39-R43 VanDerWaalsContact O-CG 3.24Å; Q39-R43 WeakPolarHBondContact O-CG 3.29Å; Q39-R43 PolarHBondContact O-N 3.43Å; V40-R43 CarbonylContact O-C 3.45Å; V40-R43 WeakPolarHBondContact O-CA 3.48Å; V40-R43 WeakPolarHBondContact O-CB 3.3Å; V40-R43 PolarHBondContact O-N 2.74Å; G41-R43 VanDerWaalsContact C-N 3.33Å; G41-R43 PolarHBondContact O-N 2.76Å; R43-L46 WeakPolarHBondContact O-CB 3.32Å; R43-L46 PolarHBondContact O-N 2.9Å; R43-L47 WeakPolarHBondContact O-CB 3.47Å; R43-L47 PolarHBondContact O-N 3.33Å |
| 44 | E | 86.3 | Confident | 85.6 | Confident | 125 Ų | 125 | 99.3 Ų | 99.3 | 58% | 0.584 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.6 | -43.7 | 176.1 | -71 | 175.3 | 162.2 | 0 | 0 | 111.2 | V40 G41 L46 L47 H48 | V40-E44 HydrophobicContact CG1-CG 4.26Å; V40-E44 WeakPolarHBondContact O-CG 3.44Å; V40-E44 PolarHBondContact O-N 3.4Å; G41-E44 PolarHBondContact O-N 2.69Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.44Å; E44-L47 PolarHBondContact O-N 2.78Å; E44-H48 PolarHBondContact O-N 3.28Å |
| 45 | N | 85.2 | Confident | 85.5 | Confident | 104 Ų | 104 | 99.2 Ų | 99.2 | 56% | 0.556 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -60.9 | -38.6 | 172.8 | -81.9 | -67.7 | 0 | 0 | 0 | 112.6 | G41 K49 | G41-N45 WeakPolarHBondContact O-CB 3.46Å; G41-N45 PolarHBondContact O-N 3.03Å; G41-N45 PolarHBondContact O-ND2 2.8Å; N45-K49 WeakPolarHBondContact O-CG 3.39Å; N45-K49 PolarHBondContact O-N 3.14Å; N45-K49 VanDerWaalsContact O-N 3.1Å |
| 46 | L | 87.1 | Confident | 85.6 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 57% | 0.571 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.9 | -42.3 | 174.4 | -160.2 | 85.5 | 0 | 0 | 0 | 111.7 | E42 R43 E44 K49 L50 | E42-L46 PolarHBondContact O-N 2.84Å; E42-L46 VanDerWaalsContact O-N 3.1Å; R43-L46 WeakPolarHBondContact O-CB 3.32Å; R43-L46 PolarHBondContact O-N 2.9Å; E44-L46 VanDerWaalsContact C-N 3.32Å; E44-L46 PolarHBondContact O-N 3.44Å; L46-K49 PolarHBondContact O-N 3.4Å; L46-L50 HydrophobicContact CD2-CD1 4.5Å; L46-L50 HydrophobicContact CG-CD1 4.49Å; L46-L50 WeakPolarHBondContact O-CG 3.12Å; L46-L50 PolarHBondContact O-N 3.34Å |
| 47 | L | 84.6 | Confident | 85.5 | Confident | 122 Ų | 122 | 101.1 Ų | 101.1 | 64% | 0.639 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.1 | -40.2 | -180 | -144.1 | 167.1 | 0 | 0 | 0 | 111 | R43 E44 L50 S51 | R43-L47 WeakPolarHBondContact O-CB 3.47Å; R43-L47 PolarHBondContact O-N 3.33Å; E44-L47 PolarHBondContact O-N 2.78Å; L47-L50 PolarHBondContact O-N 2.66Å; L47-S51 WeakPolarHBondContact O-CB 3.15Å; L47-S51 PolarHBondContact O-N 3.5Å |
| 48 | H | 86.1 | Confident | 85.6 | Confident | 121 Ų | 121 | 98.9 Ų | 98.9 | 56% | 0.56 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.7 | -45.1 | 173.1 | -171.4 | 73.6 | 0 | 0 | 0 | 112.1 | E44 L50 S51 L52 | E44-H48 PolarHBondContact O-N 3.28Å; H48-L50 PolarHBondContact O-N 2.95Å; H48-S51 PolarHBondContact O-N 2.77Å; H48-L52 WeakPolarHBondContact O-CG 3.39Å; H48-L52 PolarHBondContact O-N 2.78Å |
| 49 | K | 86.8 | Confident | 85.7 | Confident | 146 Ų | 146 | 98.1 Ų | 98.1 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -59.9 | -43 | 174.4 | -74.9 | 176.7 | 179.9 | -178.5 | 0 | 112.4 | N45 L46 L52 E53 | N45-K49 WeakPolarHBondContact O-CG 3.39Å; N45-K49 PolarHBondContact O-N 3.14Å; N45-K49 VanDerWaalsContact O-N 3.1Å; L46-K49 PolarHBondContact O-N 3.4Å; K49-L52 PolarHBondContact O-N 2.86Å; K49-E53 PolarHBondContact O-N 2.73Å; K49-E53 VanDerWaalsContact O-N 3.11Å |
| 50 | L | 85.5 | Confident | 85.7 | Confident | 105 Ų | 105 | 102 Ų | 102 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.6 | -41.5 | 175.2 | -72.7 | 168 | 0 | 0 | 0 | 112 | L46 L47 H48 L52 E53 V54 | L46-L50 HydrophobicContact CD2-CD1 4.5Å; L46-L50 HydrophobicContact CG-CD1 4.49Å; L46-L50 WeakPolarHBondContact O-CG 3.12Å; L46-L50 PolarHBondContact O-N 3.34Å; L47-L50 PolarHBondContact O-N 2.66Å; H48-L50 PolarHBondContact O-N 2.95Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-L52 PolarHBondContact O-N 2.79Å; L50-E53 PolarHBondContact O-N 2.75Å; L50-V54 WeakPolarHBondContact O-CG2 3.32Å; L50-V54 PolarHBondContact O-N 3.11Å |
| 51 | S | 86.7 | Confident | 85.7 | Confident | 62 Ų | 62 | 104.3 Ų | 104.3 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.2 | -38.7 | 176.8 | -170 | 0 | 0 | 0 | 0 | 112.7 | L47 H48 N55 | L47-S51 WeakPolarHBondContact O-CB 3.15Å; L47-S51 PolarHBondContact O-N 3.5Å; H48-S51 PolarHBondContact O-N 2.77Å; S51-N55 PolarHBondContact O-N 3.45Å |
| 52 | L | 86.8 | Confident | 85.7 | Confident | 86 Ų | 86 | 107.4 Ų | 107.4 | 45% | 0.45 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -64.7 | -42.6 | 174.7 | -73.2 | 170.8 | 0 | 0 | 0 | 111.5 | H48 K49 L50 N55 K56 | H48-L52 WeakPolarHBondContact O-CG 3.39Å; H48-L52 PolarHBondContact O-N 2.78Å; K49-L52 PolarHBondContact O-N 2.86Å; L50-L52 VanDerWaalsContact C-N 3.35Å; L50-L52 PolarHBondContact O-N 2.79Å; L52-N55 PolarHBondContact O-N 3.34Å; L52-K56 PolarHBondContact O-N 3.26Å |
| 53 | E | 85.9 | Confident | 85.8 | Confident | 87 Ų | 87 | 107.7 Ų | 107.7 | 41% | 0.407 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -70.8 | -36.5 | -179.7 | -155.5 | 59.4 | -143 | 0 | 0 | 112.5 | K49 L50 N55 K56 L57 | K49-E53 PolarHBondContact O-N 2.73Å; K49-E53 VanDerWaalsContact O-N 3.11Å; L50-E53 PolarHBondContact O-N 2.75Å; E53-N55 VanDerWaalsContact C-N 3.31Å; E53-N55 PolarHBondContact O-N 2.82Å; E53-K56 PolarHBondContact O-N 3.31Å; E53-K56 IonicContact OE1-NZ 3.83Å; E53-K56 WeakPolarHBondContact OE2-CD 3.27Å; E53-K56 WeakPolarHBondContact OE2-CE 3.36Å; E53-K56 IonicContact OE2-NZ 3.9Å; E53-K56 PolarHBondContact OE2-NZ 3.22Å; E53-L57 WeakPolarHBondContact O-CG 3.23Å; E53-L57 PolarHBondContact O-N 2.75Å |
| 54 | V | 85.6 | Confident | 85.9 | Confident | 90 Ų | 90 | 105 Ų | 105 | 55% | 0.545 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.3 | -41.5 | 171.1 | 168.1 | 0 | 0 | 0 | 0 | 111.3 | L50 L57 K58 | L50-V54 WeakPolarHBondContact O-CG2 3.32Å; L50-V54 PolarHBondContact O-N 3.11Å; V54-L57 PolarHBondContact O-N 2.89Å; V54-K58 WeakPolarHBondContact O-CB 3.35Å; V54-K58 PolarHBondContact O-N 3.14Å |
| 55 | N | 84.6 | Confident | 85.9 | Confident | 85 Ų | 85 | 101.5 Ų | 101.5 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.2 | -41 | 175.7 | -77.8 | -17.2 | 0 | 0 | 0 | 112.4 | S51 L52 E53 L57 K58 N59 | S51-N55 PolarHBondContact O-N 3.45Å; L52-N55 PolarHBondContact O-N 3.34Å; E53-N55 VanDerWaalsContact C-N 3.31Å; E53-N55 PolarHBondContact O-N 2.82Å; N55-L57 VanDerWaalsContact C-N 3.34Å; N55-L57 PolarHBondContact O-N 3.48Å; N55-K58 PolarHBondContact O-N 3.32Å; N55-N59 PolarHBondContact O-N 2.68Å; N55-N59 PolarHBondContact O-OD1 2.68Å; N55-N59 VanDerWaalsContact O-OD1 3.13Å |
| 56 | K | 86.4 | Confident | 85.9 | Confident | 115 Ų | 115 | 100.4 Ų | 100.4 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.2 | -43.1 | 173.4 | -66.7 | -179.4 | -157 | 159.2 | 0 | 112.1 | L52 E53 N59 K60 | L52-K56 PolarHBondContact O-N 3.26Å; E53-K56 PolarHBondContact O-N 3.31Å; E53-K56 IonicContact OE1-NZ 3.83Å; E53-K56 WeakPolarHBondContact OE2-CD 3.27Å; E53-K56 WeakPolarHBondContact OE2-CE 3.36Å; E53-K56 IonicContact OE2-NZ 3.9Å; E53-K56 PolarHBondContact OE2-NZ 3.22Å; K56-N59 PolarHBondContact O-N 2.93Å; K56-K60 PolarHBondContact O-N 3.37Å |
| 57 | L | 84.4 | Confident | 85.9 | Confident | 106 Ų | 106 | 99.6 Ų | 99.6 | 56% | 0.555 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.1 | -38 | 177.8 | -71 | 170.5 | 0 | 0 | 0 | 111.9 | E53 V54 N55 K60 H61 | E53-L57 WeakPolarHBondContact O-CG 3.23Å; E53-L57 PolarHBondContact O-N 2.75Å; V54-L57 PolarHBondContact O-N 2.89Å; N55-L57 VanDerWaalsContact C-N 3.34Å; N55-L57 PolarHBondContact O-N 3.48Å; L57-K60 PolarHBondContact O-N 3.44Å; L57-H61 WeakPolarHBondContact O-CB 3.41Å; L57-H61 PolarHBondContact O-N 2.82Å |
| 58 | K | 86 | Confident | 86 | Confident | 106 Ų | 106 | 100.3 Ų | 100.3 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -47.3 | 174.2 | -174.1 | 175.5 | 178.5 | -69.8 | 0 | 111.8 | V54 N55 K60 H61 E62 | V54-K58 WeakPolarHBondContact O-CB 3.35Å; V54-K58 PolarHBondContact O-N 3.14Å; N55-K58 PolarHBondContact O-N 3.32Å; K58-K60 VanDerWaalsContact C-N 3.35Å; K58-K60 PolarHBondContact O-N 3.1Å; K58-H61 WeakPolarHBondContact O-CB 3.27Å; K58-H61 PolarHBondContact O-N 2.68Å; K58-E62 WeakPolarHBondContact CE-OE1 3.32Å; K58-E62 IonicContact NZ-OE1 2.61Å; K58-E62 PolarHBondContact NZ-OE1 2.86Å; K58-E62 IonicContact NZ-OE2 2.69Å; K58-E62 PolarHBondContact O-N 3.3Å |
| 59 | N | 86.1 | Confident | 86 | Confident | 100 Ų | 100 | 97.3 Ų | 97.3 | 54% | 0.535 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -60.9 | -43.9 | 178 | -67.7 | 14.2 | 0 | 0 | 0 | 111.4 | N55 K56 H61 E62 E63 | N55-N59 PolarHBondContact O-N 2.68Å; N55-N59 PolarHBondContact O-OD1 2.68Å; N55-N59 VanDerWaalsContact O-OD1 3.13Å; K56-N59 PolarHBondContact O-N 2.93Å; N59-H61 VanDerWaalsContact C-N 3.29Å; N59-H61 PolarHBondContact O-N 2.8Å; N59-E62 PolarHBondContact O-N 3.18Å; N59-E63 WeakPolarHBondContact O-CB 3.36Å; N59-E63 PolarHBondContact O-N 3.31Å |
| 60 | K | 85.8 | Confident | 85.9 | Confident | 136 Ų | 136 | 93.3 Ų | 93.3 | 59% | 0.591 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -62.1 | -33.5 | 173.4 | -76.6 | -175.5 | 172.7 | -174.4 | 0 | 113.1 | K56 L57 K58 V64 | K56-K60 PolarHBondContact O-N 3.37Å; L57-K60 PolarHBondContact O-N 3.44Å; K58-K60 VanDerWaalsContact C-N 3.35Å; K58-K60 PolarHBondContact O-N 3.1Å; K60-V64 WeakPolarHBondContact O-CB 3.29Å; K60-V64 VanDerWaalsContact O-CG2 3.28Å; K60-V64 WeakPolarHBondContact O-CG2 3.13Å; K60-V64 PolarHBondContact O-N 2.81Å |
| 61 | H | 83.8 | Confident | 85.9 | Confident | 118 Ų | 118 | 94.2 Ų | 94.2 | 55% | 0.546 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 176.5 | -172.8 | 38.2 | 0 | 0 | 0 | 111.9 | L57 K58 N59 V64 I65 | L57-H61 WeakPolarHBondContact O-CB 3.41Å; L57-H61 PolarHBondContact O-N 2.82Å; K58-H61 WeakPolarHBondContact O-CB 3.27Å; K58-H61 PolarHBondContact O-N 2.68Å; N59-H61 VanDerWaalsContact C-N 3.29Å; N59-H61 PolarHBondContact O-N 2.8Å; H61-V64 PolarHBondContact O-N 3.03Å; H61-I65 VanDerWaalsContact O-CG1 3.3Å; H61-I65 WeakPolarHBondContact O-CG1 3.23Å; H61-I65 PolarHBondContact O-N 2.64Å |
| 62 | E | 87.2 | Confident | 85.9 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 41% | 0.411 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.5 | -37 | 175.9 | -71.9 | 169.8 | -177.9 | 0 | 0 | 112.1 | K58 N59 I65 S66 | K58-E62 WeakPolarHBondContact CE-OE1 3.32Å; K58-E62 IonicContact NZ-OE1 2.61Å; K58-E62 PolarHBondContact NZ-OE1 2.86Å; K58-E62 IonicContact NZ-OE2 2.69Å; K58-E62 PolarHBondContact O-N 3.3Å; N59-E62 PolarHBondContact O-N 3.18Å; E62-I65 PolarHBondContact O-N 2.88Å; E62-S66 PolarHBondContact O-N 3.16Å; E62-S66 PolarHBondContact O-OG 2.82Å |
| 63 | E | 86.8 | Confident | 85.8 | Confident | 109 Ų | 109 | 96.8 Ų | 96.8 | 51% | 0.509 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -61.8 | -48.4 | 170.9 | -174.2 | -179.1 | -172.5 | 0 | 0 | 111.8 | N59 I65 S66 Q67 | N59-E63 WeakPolarHBondContact O-CB 3.36Å; N59-E63 PolarHBondContact O-N 3.31Å; E63-I65 VanDerWaalsContact C-N 3.34Å; E63-I65 PolarHBondContact O-N 3.29Å; E63-S66 WeakPolarHBondContact O-CB 3.24Å; E63-S66 PolarHBondContact O-N 2.77Å; E63-S66 VanDerWaalsContact O-N 3.16Å; E63-Q67 WeakPolarHBondContact O-CG 3.35Å; E63-Q67 PolarHBondContact O-N 3.33Å |
| 64 | V | 85.7 | Confident | 85.7 | Confident | 85 Ų | 85 | 97.2 Ų | 97.2 | 52% | 0.515 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.8 | -34.8 | 177.5 | 167.8 | 0 | 0 | 0 | 0 | 112.3 | K60 H61 R68 | K60-V64 WeakPolarHBondContact O-CB 3.29Å; K60-V64 VanDerWaalsContact O-CG2 3.28Å; K60-V64 WeakPolarHBondContact O-CG2 3.13Å; K60-V64 PolarHBondContact O-N 2.81Å; H61-V64 PolarHBondContact O-N 3.03Å; V64-R68 WeakPolarHBondContact O-CB 3.28Å; V64-R68 PolarHBondContact O-N 3.25Å |
| 65 | I | 86.2 | Confident | 85.6 | Confident | 52 Ų | 52 | 96.3 Ų | 96.3 | 27% | 0.267 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -63.7 | -45.7 | 171.8 | -73.7 | 164.7 | 0 | 0 | 0 | 110.4 | H61 E62 E63 Q67 R68 D69 | H61-I65 VanDerWaalsContact O-CG1 3.3Å; H61-I65 WeakPolarHBondContact O-CG1 3.23Å; H61-I65 PolarHBondContact O-N 2.64Å; E62-I65 PolarHBondContact O-N 2.88Å; E63-I65 VanDerWaalsContact C-N 3.34Å; E63-I65 PolarHBondContact O-N 3.29Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.47Å; I65-R68 WeakPolarHBondContact O-CB 3.2Å; I65-R68 PolarHBondContact O-N 2.96Å; I65-D69 VanDerWaalsContact O-CG 3.29Å; I65-D69 PolarHBondContact O-N 2.81Å |
| 66 | S | 85.4 | Confident | 85.6 | Confident | 80 Ų | 80 | 97.4 Ų | 97.4 | 56% | 0.559 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.8 | -39.6 | 179 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | E62 E63 S70 | E62-S66 PolarHBondContact O-N 3.16Å; E62-S66 PolarHBondContact O-OG 2.82Å; E63-S66 WeakPolarHBondContact O-CB 3.24Å; E63-S66 PolarHBondContact O-N 2.77Å; E63-S66 VanDerWaalsContact O-N 3.16Å; S66-S70 WeakPolarHBondContact O-CB 3.24Å; S66-S70 PolarHBondContact O-N 3.47Å; S66-S70 VanDerWaalsContact O-N 3.09Å |
| 67 | Q | 86.8 | Confident | 85.6 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 43% | 0.43 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.9 | -45.2 | 173.6 | -69.5 | 176.3 | 11.5 | 0 | 0 | 111.9 | E63 I65 D69 S70 F71 | E63-Q67 WeakPolarHBondContact O-CG 3.35Å; E63-Q67 PolarHBondContact O-N 3.33Å; I65-Q67 VanDerWaalsContact C-N 3.33Å; I65-Q67 PolarHBondContact O-N 3.47Å; Q67-D69 VanDerWaalsContact C-N 3.31Å; Q67-D69 PolarHBondContact O-N 3.01Å; Q67-S70 WeakPolarHBondContact O-CB 3.44Å; Q67-S70 PolarHBondContact O-N 2.9Å; Q67-F71 HydrophobicContact CB-CE2 4.35Å; Q67-F71 WeakPolarHBondContact O-CD2 3.1Å; Q67-F71 PolarHBondContact O-N 3.43Å |
| 68 | R | 87.1 | Confident | 85.5 | Confident | 137 Ų | 137 | 98.6 Ų | 98.6 | 52% | 0.517 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55 | -46.9 | 174.9 | -179.6 | -159 | 70 | -168.3 | -3.7 | 111.4 | V64 I65 F71 Q72 | V64-R68 WeakPolarHBondContact O-CB 3.28Å; V64-R68 PolarHBondContact O-N 3.25Å; I65-R68 WeakPolarHBondContact O-CB 3.2Å; I65-R68 PolarHBondContact O-N 2.96Å; R68-F71 PolarHBondContact O-N 3.5Å; R68-Q72 WeakPolarHBondContact O-CB 3.48Å; R68-Q72 PolarHBondContact O-N 2.7Å |
| 69 | D | 86.6 | Confident | 85.4 | Confident | 59 Ų | 59 | 99.4 Ų | 99.4 | 32% | 0.316 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -71.8 | -32.8 | -174.9 | -65.9 | -9.5 | 0 | 0 | 0 | 111.5 | I65 Q67 Q72 N73 | I65-D69 VanDerWaalsContact O-CG 3.29Å; I65-D69 PolarHBondContact O-N 2.81Å; Q67-D69 VanDerWaalsContact C-N 3.31Å; Q67-D69 PolarHBondContact O-N 3.01Å; D69-Q72 PolarHBondContact O-N 3.49Å; D69-N73 PolarHBondContact O-N 3.41Å; D69-N73 VanDerWaalsContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 2.76Å |
| 70 | S | 85.5 | Confident | 85.4 | Confident | 62 Ų | 62 | 101.4 Ų | 101.4 | 43% | 0.434 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61 | -51.9 | 168.1 | -173.5 | 0 | 0 | 0 | 0 | 112 | S66 Q67 Q72 N73 Q74 | S66-S70 WeakPolarHBondContact O-CB 3.24Å; S66-S70 PolarHBondContact O-N 3.47Å; S66-S70 VanDerWaalsContact O-N 3.09Å; Q67-S70 WeakPolarHBondContact O-CB 3.44Å; Q67-S70 PolarHBondContact O-N 2.9Å; S70-Q72 VanDerWaalsContact C-N 3.31Å; S70-Q72 PolarHBondContact O-N 3.27Å; S70-N73 PolarHBondContact O-N 2.89Å; S70-Q74 PolarHBondContact O-N 2.98Å |
| 71 | F | 85 | Confident | 85.3 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 54% | 0.544 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -34.6 | 177.6 | -69.1 | -54 | 0 | 0 | 0 | 112.8 | Q67 R68 Q74 T75 | Q67-F71 HydrophobicContact CB-CE2 4.35Å; Q67-F71 WeakPolarHBondContact O-CD2 3.1Å; Q67-F71 PolarHBondContact O-N 3.43Å; R68-F71 PolarHBondContact O-N 3.5Å; F71-Q74 PolarHBondContact O-N 2.8Å; F71-T75 WeakPolarHBondContact O-CB 3.49Å; F71-T75 PolarHBondContact O-N 3.28Å; F71-T75 PolarHBondContact O-OG1 2.92Å |
| 72 | Q | 86.1 | Confident | 85.2 | Confident | 104 Ų | 104 | 101.7 Ų | 101.7 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.6 | -35.8 | 177.1 | -171.5 | 170.7 | 5.6 | 0 | 0 | 112 | R68 D69 S70 K76 | R68-Q72 WeakPolarHBondContact O-CB 3.48Å; R68-Q72 PolarHBondContact O-N 2.7Å; D69-Q72 PolarHBondContact O-N 3.49Å; S70-Q72 VanDerWaalsContact C-N 3.31Å; S70-Q72 PolarHBondContact O-N 3.27Å; Q72-K76 PolarHBondContact O-N 3.28Å |
| 73 | N | 84.3 | Confident | 85 | Confident | 98 Ų | 98 | 102.9 Ų | 102.9 | 52% | 0.524 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.5 | -44.5 | 173.1 | -71 | -22.6 | 0 | 0 | 0 | 111.8 | D69 S70 T75 K76 E77 | D69-N73 PolarHBondContact O-N 3.41Å; D69-N73 VanDerWaalsContact O-N 3.09Å; D69-N73 PolarHBondContact O-ND2 2.76Å; S70-N73 PolarHBondContact O-N 2.89Å; N73-T75 VanDerWaalsContact C-N 3.26Å; N73-T75 PolarHBondContact O-N 2.77Å; N73-K76 PolarHBondContact O-N 2.6Å; N73-K76 VanDerWaalsContact O-N 3.14Å; N73-E77 PolarHBondContact O-N 3.39Å |
| 74 | Q | 85.3 | Confident | 85 | Confident | 96 Ų | 96 | 101.9 Ų | 101.9 | 45% | 0.449 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 173.3 | -72.2 | -177.8 | -18.4 | 0 | 0 | 112.4 | S70 F71 E77 L78 | S70-Q74 PolarHBondContact O-N 2.98Å; F71-Q74 PolarHBondContact O-N 2.8Å; Q74-E77 PolarHBondContact O-N 2.98Å; Q74-L78 WeakPolarHBondContact O-CB 3.14Å; Q74-L78 VanDerWaalsContact O-CG 3.29Å; Q74-L78 WeakPolarHBondContact O-CG 3.06Å; Q74-L78 PolarHBondContact O-N 3.22Å |
| 75 | T | 83 | Confident | 84.7 | Confident | 70 Ų | 70 | 101.7 Ų | 101.7 | 43% | 0.429 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.2 | -44.1 | 175.9 | -56.3 | 0 | 0 | 0 | 0 | 110.8 | F71 N73 L78 E79 | F71-T75 WeakPolarHBondContact O-CB 3.49Å; F71-T75 PolarHBondContact O-N 3.28Å; F71-T75 PolarHBondContact O-OG1 2.92Å; N73-T75 VanDerWaalsContact C-N 3.26Å; N73-T75 PolarHBondContact O-N 2.77Å; T75-L78 PolarHBondContact O-N 3.16Å; T75-E79 HydrophobicContact CG2-CG 4.44Å; T75-E79 WeakPolarHBondContact O-CB 3.26Å; T75-E79 WeakPolarHBondContact O-CG 3.44Å; T75-E79 PolarHBondContact O-N 3.24Å |
| 76 | K | 84.4 | Confident | 84.5 | Confident | 108 Ų | 108 | 105.1 Ų | 105.1 | 47% | 0.47 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.6 | -44.9 | 175.6 | -74.1 | 179.2 | 173.8 | -178.1 | 0 | 113.2 | Q72 N73 L78 E79 E80 | Q72-K76 PolarHBondContact O-N 3.28Å; N73-K76 PolarHBondContact O-N 2.6Å; N73-K76 VanDerWaalsContact O-N 3.14Å; K76-L78 PolarHBondContact O-N 3.42Å; K76-E79 PolarHBondContact O-N 2.81Å; K76-E80 WeakPolarHBondContact O-CG 3.28Å; K76-E80 PolarHBondContact O-N 3.42Å |
| 77 | E | 85.6 | Confident | 84.4 | Confident | 137 Ų | 137 | 106.8 Ų | 106.8 | 64% | 0.64 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.1 | -36.3 | 176.5 | -70.9 | -175.3 | 161.3 | 0 | 0 | 111.6 | N73 Q74 R81 | N73-E77 PolarHBondContact O-N 3.39Å; Q74-E77 PolarHBondContact O-N 2.98Å; E77-R81 WeakPolarHBondContact O-CB 3.45Å; E77-R81 PolarHBondContact O-N 3.3Å |
| 78 | L | 82.5 | Confident | 84.2 | Confident | 110 Ų | 110 | 108.3 Ų | 108.3 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72 | -40.6 | 174 | -69.8 | 170.6 | 0 | 0 | 0 | 112.4 | Q74 T75 K76 R81 C82 | Q74-L78 WeakPolarHBondContact O-CB 3.14Å; Q74-L78 VanDerWaalsContact O-CG 3.29Å; Q74-L78 WeakPolarHBondContact O-CG 3.06Å; Q74-L78 PolarHBondContact O-N 3.22Å; T75-L78 PolarHBondContact O-N 3.16Å; K76-L78 PolarHBondContact O-N 3.42Å; L78-R81 PolarHBondContact O-N 3.36Å; L78-C82 VanDerWaalsContact O-CB 3.26Å; L78-C82 WeakPolarHBondContact O-CB 3.1Å; L78-C82 PolarHBondContact O-N 3.28Å; L78-C82 PolarHBondContact O-SG 3.47Å; L78-C82 VanDerWaalsContact O-SG 3.35Å |
| 79 | E | 84.8 | Confident | 83.8 | Confident | 122 Ų | 122 | 109.5 Ų | 109.5 | 57% | 0.57 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -61.5 | -48.1 | 175.2 | -76.2 | 174 | 163.7 | 0 | 0 | 111.9 | T75 K76 C82 H83 | T75-E79 HydrophobicContact CG2-CG 4.44Å; T75-E79 WeakPolarHBondContact O-CB 3.26Å; T75-E79 WeakPolarHBondContact O-CG 3.44Å; T75-E79 PolarHBondContact O-N 3.24Å; K76-E79 PolarHBondContact O-N 2.81Å; E79-C82 PolarHBondContact O-N 3.41Å; E79-H83 PolarHBondContact O-N 2.99Å |
| 80 | E | 85.5 | Confident | 83.6 | Confident | 142 Ų | 142 | 112 Ų | 112 | 66% | 0.664 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.9 | -45.2 | 176 | -72 | -178.6 | 176.8 | 0 | 0 | 111.2 | K76 C82 H83 D84 | K76-E80 WeakPolarHBondContact O-CG 3.28Å; K76-E80 PolarHBondContact O-N 3.42Å; E80-C82 VanDerWaalsContact C-N 3.34Å; E80-C82 PolarHBondContact O-N 3.48Å; E80-H83 WeakPolarHBondContact O-CB 3.45Å; E80-H83 PolarHBondContact O-N 2.93Å; E80-D84 PolarHBondContact O-N 3.24Å |
| 81 | R | 84.6 | Confident | 83.4 | Confident | 180 Ų | 180 | 113.5 Ų | 113.5 | 68% | 0.679 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.9 | -33.1 | 178.3 | -168.9 | 170.9 | -173.3 | 153.4 | -1.8 | 112.9 | E77 L78 L85 | E77-R81 WeakPolarHBondContact O-CB 3.45Å; E77-R81 PolarHBondContact O-N 3.3Å; L78-R81 PolarHBondContact O-N 3.36Å; R81-L85 WeakPolarHBondContact O-CB 3.26Å; R81-L85 VanDerWaalsContact O-CG 3.29Å; R81-L85 WeakPolarHBondContact O-CG 3.31Å; R81-L85 PolarHBondContact O-N 3.15Å |
| 82 | C | 80 | Confident | 83.2 | Confident | 80 Ų | 80 | 112 Ų | 112 | 54% | 0.541 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.1 | -40.8 | 170.6 | -81.5 | 0 | 0 | 0 | 0 | 111.8 | L78 E79 E80 L85 Q86 | L78-C82 VanDerWaalsContact O-CB 3.26Å; L78-C82 WeakPolarHBondContact O-CB 3.1Å; L78-C82 PolarHBondContact O-N 3.28Å; L78-C82 PolarHBondContact O-SG 3.47Å; L78-C82 VanDerWaalsContact O-SG 3.35Å; E79-C82 PolarHBondContact O-N 3.41Å; E80-C82 VanDerWaalsContact C-N 3.34Å; E80-C82 PolarHBondContact O-N 3.48Å; C82-L85 PolarHBondContact O-N 3Å; C82-Q86 WeakPolarHBondContact O-CB 3.4Å; C82-Q86 PolarHBondContact O-N 3.38Å |
| 83 | H | 84.1 | Confident | 82.9 | Confident | 113 Ų | 113 | 109.5 Ų | 109.5 | 52% | 0.523 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.3 | -44.4 | 175.8 | -172.2 | 69 | 0 | 0 | 0 | 111.8 | E79 E80 L85 Q86 K87 | E79-H83 PolarHBondContact O-N 2.99Å; E80-H83 WeakPolarHBondContact O-CB 3.45Å; E80-H83 PolarHBondContact O-N 2.93Å; H83-L85 PolarHBondContact O-N 3.37Å; H83-Q86 PolarHBondContact O-N 3.48Å; H83-K87 WeakPolarHBondContact O-CB 3.35Å; H83-K87 PolarHBondContact O-N 2.88Å |
| 84 | D | 85.9 | Confident | 82.7 | Confident | 89 Ų | 89 | 109.1 Ų | 109.1 | 48% | 0.476 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63.5 | -38.2 | 176.1 | -112.8 | 22.5 | 0 | 0 | 0 | 112.9 | E80 K88 | E80-D84 PolarHBondContact O-N 3.24Å; D84-K88 VanDerWaalsContact O-CG 3.32Å; D84-K88 WeakPolarHBondContact O-CG 3.32Å; D84-K88 PolarHBondContact O-N 3.39Å; D84-K88 VanDerWaalsContact O-N 3.14Å |
| 85 | L | 81.2 | Confident | 82.4 | Confident | 80 Ų | 80 | 109.1 Ų | 109.1 | 42% | 0.419 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -67.7 | -46.4 | 173.2 | -78.4 | 168.7 | 0 | 0 | 0 | 111.5 | R81 C82 H83 K87 K88 Y89 | R81-L85 WeakPolarHBondContact O-CB 3.26Å; R81-L85 VanDerWaalsContact O-CG 3.29Å; R81-L85 WeakPolarHBondContact O-CG 3.31Å; R81-L85 PolarHBondContact O-N 3.15Å; C82-L85 PolarHBondContact O-N 3Å; H83-L85 PolarHBondContact O-N 3.37Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.83Å; L85-K88 PolarHBondContact O-N 2.87Å; L85-K88 VanDerWaalsContact O-N 3.16Å; L85-Y89 HydrophobicContact CB-CE2 4.48Å; L85-Y89 HydrophobicContact CD2-CE2 4.42Å; L85-Y89 WeakPolarHBondContact O-CD2 3.45Å; L85-Y89 PolarHBondContact O-N 2.87Å |
| 86 | Q | 81.9 | Confident | 82.2 | Confident | 124 Ų | 124 | 111 Ų | 111 | 58% | 0.579 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -56.6 | -46.6 | 177.1 | -178.9 | 175.9 | -10.6 | 0 | 0 | 111 | C82 H83 K88 Y89 E90 | C82-Q86 WeakPolarHBondContact O-CB 3.4Å; C82-Q86 PolarHBondContact O-N 3.38Å; H83-Q86 PolarHBondContact O-N 3.48Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; Q86-K88 PolarHBondContact O-N 3.44Å; Q86-Y89 PolarHBondContact O-N 3.46Å; Q86-E90 WeakPolarHBondContact O-CB 3.41Å; Q86-E90 PolarHBondContact O-N 3.24Å |
| 87 | K | 82.9 | Confident | 81.9 | Confident | 116 Ų | 116 | 109.5 Ų | 109.5 | 50% | 0.504 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.7 | -33.7 | 178.6 | -162.3 | 172.2 | -171.9 | 173.4 | 0 | 113.2 | H83 L85 N91 | H83-K87 WeakPolarHBondContact O-CB 3.35Å; H83-K87 PolarHBondContact O-N 2.88Å; L85-K87 VanDerWaalsContact C-N 3.31Å; L85-K87 PolarHBondContact O-N 2.83Å; K87-N91 WeakPolarHBondContact O-CB 3.43Å; K87-N91 PolarHBondContact O-N 2.72Å; K87-N91 VanDerWaalsContact O-N 3.11Å |
| 88 | K | 81.5 | Confident | 81.6 | Confident | 124 Ų | 124 | 106.2 Ų | 106.2 | 54% | 0.539 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -69.7 | -42.9 | 171.6 | -76.2 | 167.2 | -177.4 | 162.7 | 0 | 112.3 | D84 L85 Q86 N92 | D84-K88 VanDerWaalsContact O-CG 3.32Å; D84-K88 WeakPolarHBondContact O-CG 3.32Å; D84-K88 PolarHBondContact O-N 3.39Å; D84-K88 VanDerWaalsContact O-N 3.14Å; L85-K88 PolarHBondContact O-N 2.87Å; L85-K88 VanDerWaalsContact O-N 3.16Å; Q86-K88 VanDerWaalsContact C-N 3.32Å; Q86-K88 PolarHBondContact O-N 3.44Å; K88-N92 WeakPolarHBondContact O-CB 3.27Å; K88-N92 PolarHBondContact O-N 3.01Å |
| 89 | Y | 79.9 | Confident | 81.4 | Confident | 161 Ų | 161 | 105.6 Ų | 105.6 | 63% | 0.631 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -67.1 | -38 | 176.2 | -76.4 | -63.5 | 0 | 0 | 0 | 112.5 | L85 Q86 N92 A93 | L85-Y89 HydrophobicContact CB-CE2 4.48Å; L85-Y89 HydrophobicContact CD2-CE2 4.42Å; L85-Y89 WeakPolarHBondContact O-CD2 3.45Å; L85-Y89 PolarHBondContact O-N 2.87Å; Q86-Y89 PolarHBondContact O-N 3.46Å; Y89-N92 PolarHBondContact O-N 2.77Å; Y89-A93 WeakPolarHBondContact O-CB 3.41Å; Y89-A93 PolarHBondContact O-N 3.32Å |
| 90 | E | 81.7 | Confident | 81.2 | Confident | 113 Ų | 113 | 103.8 Ų | 103.8 | 53% | 0.528 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 176.3 | -169.8 | 164.1 | -145.1 | 0 | 0 | 111.5 | Q86 N92 A93 N94 | Q86-E90 WeakPolarHBondContact O-CB 3.41Å; Q86-E90 PolarHBondContact O-N 3.24Å; E90-N92 PolarHBondContact O-N 2.87Å; E90-A93 PolarHBondContact O-N 2.91Å; E90-N94 WeakPolarHBondContact O-CB 3.3Å; E90-N94 VanDerWaalsContact O-CG 3.29Å; E90-N94 PolarHBondContact O-N 2.92Å; E90-N94 PolarHBondContact O-ND2 3.17Å; E90-N94 VanDerWaalsContact O-ND2 3.14Å |
| 91 | N | 81.8 | Confident | 80.9 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 50% | 0.497 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62 | -40.9 | 171.5 | -80.8 | -6.1 | 0 | 0 | 0 | 112.8 | K87 N94 N95 | K87-N91 WeakPolarHBondContact O-CB 3.43Å; K87-N91 PolarHBondContact O-N 2.72Å; K87-N91 VanDerWaalsContact O-N 3.11Å; N91-N94 PolarHBondContact O-N 3.28Å; N91-N95 WeakPolarHBondContact O-CB 3.31Å; N91-N95 PolarHBondContact O-N 3.14Å; N91-N95 PolarHBondContact O-ND2 3.15Å |
| 92 | N | 79.6 | Confident | 80.7 | Confident | 93 Ų | 93 | 99.5 Ų | 99.5 | 50% | 0.497 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67 | -39.2 | 176.1 | -81.9 | -2.8 | 0 | 0 | 0 | 112.5 | K88 Y89 E90 N95 L96 | K88-N92 WeakPolarHBondContact O-CB 3.27Å; K88-N92 PolarHBondContact O-N 3.01Å; Y89-N92 PolarHBondContact O-N 2.77Å; E90-N92 PolarHBondContact O-N 2.87Å; N92-N95 PolarHBondContact O-N 3.41Å; N92-L96 WeakPolarHBondContact O-CB 3.27Å; N92-L96 VanDerWaalsContact O-CG 3.3Å; N92-L96 WeakPolarHBondContact O-CG 3.27Å; N92-L96 PolarHBondContact O-N 3.07Å |
| 93 | A | 79.9 | Confident | 80.7 | Confident | 51 Ų | 51 | 103.8 Ų | 103.8 | 42% | 0.421 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | Y89 E90 T97 | Y89-A93 WeakPolarHBondContact O-CB 3.41Å; Y89-A93 PolarHBondContact O-N 3.32Å; E90-A93 PolarHBondContact O-N 2.91Å; A93-T97 WeakPolarHBondContact O-CB 3.45Å; A93-T97 PolarHBondContact O-N 2.77Å; A93-T97 PolarHBondContact O-OG1 3.44Å |
| 94 | N | 79.8 | Confident | 80.5 | Confident | 90 Ų | 90 | 103 Ų | 103 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62 | -50.8 | 172.8 | -73.1 | -33.7 | 0 | 0 | 0 | 111.2 | E90 N91 L96 T97 T98 | E90-N94 WeakPolarHBondContact O-CB 3.3Å; E90-N94 VanDerWaalsContact O-CG 3.29Å; E90-N94 PolarHBondContact O-N 2.92Å; E90-N94 PolarHBondContact O-ND2 3.17Å; E90-N94 VanDerWaalsContact O-ND2 3.14Å; N91-N94 PolarHBondContact O-N 3.28Å; N94-L96 PolarHBondContact O-N 3.35Å; N94-T97 WeakPolarHBondContact O-CA 3.3Å; N94-T97 WeakPolarHBondContact O-CB 3.37Å; N94-T97 PolarHBondContact O-N 3.03Å; N94-T98 PolarHBondContact O-N 3.26Å; N94-T98 PolarHBondContact O-OG1 2.89Å |
| 95 | N | 79.5 | Confident | 80.3 | Confident | 95 Ų | 95 | 104.7 Ų | 104.7 | 51% | 0.508 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -58.7 | -43.5 | 177.9 | -71.7 | -16.8 | 0 | 0 | 0 | 112.7 | N91 N92 T97 T98 M99 | N91-N95 WeakPolarHBondContact O-CB 3.31Å; N91-N95 PolarHBondContact O-N 3.14Å; N91-N95 PolarHBondContact O-ND2 3.15Å; N92-N95 PolarHBondContact O-N 3.41Å; N95-T97 VanDerWaalsContact C-N 3.27Å; N95-T97 PolarHBondContact O-N 3.3Å; N95-T98 PolarHBondContact O-N 3.44Å; N95-M99 WeakPolarHBondContact O-CG 3.45Å; N95-M99 PolarHBondContact O-N 2.96Å |
| 96 | L | 78.4 | Confident | 80.3 | Confident | 111 Ų | 111 | 105.7 Ų | 105.7 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.2 | -35.8 | 174.2 | -75.2 | 167.3 | 0 | 0 | 0 | 111.8 | N92 N94 M99 V100 | N92-L96 WeakPolarHBondContact O-CB 3.27Å; N92-L96 VanDerWaalsContact O-CG 3.3Å; N92-L96 WeakPolarHBondContact O-CG 3.27Å; N92-L96 PolarHBondContact O-N 3.07Å; N94-L96 PolarHBondContact O-N 3.35Å; L96-M99 PolarHBondContact O-N 3.1Å; L96-V100 WeakPolarHBondContact O-CB 3.2Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.23Å; L96-V100 PolarHBondContact O-N 3.19Å |
| 97 | T | 79.1 | Confident | 80.1 | Confident | 76 Ų | 76 | 104 Ų | 104 | 47% | 0.466 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68.2 | -35.9 | 176.1 | -56.5 | 0 | 0 | 0 | 0 | 112.1 | A93 N94 N95 K101 | A93-T97 WeakPolarHBondContact O-CB 3.45Å; A93-T97 PolarHBondContact O-N 2.77Å; A93-T97 PolarHBondContact O-OG1 3.44Å; N94-T97 WeakPolarHBondContact O-CA 3.3Å; N94-T97 WeakPolarHBondContact O-CB 3.37Å; N94-T97 PolarHBondContact O-N 3.03Å; N95-T97 VanDerWaalsContact C-N 3.27Å; N95-T97 PolarHBondContact O-N 3.3Å; T97-K101 WeakPolarHBondContact O-CG 3.48Å; T97-K101 PolarHBondContact O-N 2.97Å |
| 98 | T | 78.5 | Confident | 80 | Confident | 68 Ų | 68 | 101.3 Ų | 101.3 | 42% | 0.417 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -67 | -49.8 | 171.8 | -20.2 | 0 | 0 | 0 | 0 | 110.8 | N94 N95 V100 K101 E102 | N94-T98 PolarHBondContact O-N 3.26Å; N94-T98 PolarHBondContact O-OG1 2.89Å; N95-T98 PolarHBondContact O-N 3.44Å; T98-V100 VanDerWaalsContact C-N 3.25Å; T98-V100 PolarHBondContact O-N 3.19Å; T98-K101 WeakPolarHBondContact O-CB 3.22Å; T98-K101 PolarHBondContact O-N 3.17Å; T98-E102 WeakPolarHBondContact CG2-OE1 3.34Å; T98-E102 WeakPolarHBondContact O-CG 3.39Å; T98-E102 PolarHBondContact O-N 3.27Å |
| 99 | M | 79.4 | Confident | 79.9 | Confident | 96 Ų | 96 | 100.8 Ų | 100.8 | 47% | 0.473 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60 | -31.2 | 179.1 | -70.6 | -177.7 | 73.9 | 0 | 0 | 113.8 | N95 L96 E102 R103 | N95-M99 WeakPolarHBondContact O-CG 3.45Å; N95-M99 PolarHBondContact O-N 2.96Å; L96-M99 PolarHBondContact O-N 3.1Å; M99-E102 WeakPolarHBondContact CA-OE2 3.44Å; M99-R103 WeakPolarHBondContact O-CB 3.49Å; M99-R103 WeakPolarHBondContact O-CG 3.31Å; M99-R103 PolarHBondContact O-N 2.86Å; M99-R103 VanDerWaalsContact O-N 3.07Å |
| 100 | V | 79.2 | Confident | 79.9 | Confident | 84 Ų | 84 | 98.9 Ų | 98.9 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.3 | -45 | 172.7 | 167 | 0 | 0 | 0 | 0 | 110.9 | L96 T98 R103 D104 | L96-V100 WeakPolarHBondContact O-CB 3.2Å; L96-V100 VanDerWaalsContact O-CG2 3.28Å; L96-V100 WeakPolarHBondContact O-CG2 3.23Å; L96-V100 PolarHBondContact O-N 3.19Å; T98-V100 VanDerWaalsContact C-N 3.25Å; T98-V100 PolarHBondContact O-N 3.19Å; V100-R103 PolarHBondContact O-N 3.34Å; V100-D104 PolarHBondContact O-N 2.81Å |
| 101 | K | 80.6 | Confident | 79.8 | Confident | 132 Ų | 132 | 100.2 Ų | 100.2 | 57% | 0.574 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -62.9 | -44.8 | 176.1 | -71.8 | 177 | 177.6 | -179.9 | 0 | 112.5 | T97 T98 R103 D104 E105 | T97-K101 WeakPolarHBondContact O-CG 3.48Å; T97-K101 PolarHBondContact O-N 2.97Å; T98-K101 WeakPolarHBondContact O-CB 3.22Å; T98-K101 PolarHBondContact O-N 3.17Å; K101-R103 VanDerWaalsContact C-N 3.27Å; K101-R103 PolarHBondContact O-N 3.48Å; K101-D104 PolarHBondContact O-N 3.27Å; K101-D104 VanDerWaalsContact O-N 3.15Å; K101-E105 PolarHBondContact O-N 3.45Å |
| 102 | E | 80.5 | Confident | 79.7 | Confident | 100 Ų | 100 | 98.4 Ų | 98.4 | 47% | 0.467 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -41.2 | 175.2 | -69.8 | 155.1 | -162.6 | 0 | 0 | 110.9 | T98 M99 L106 | T98-E102 WeakPolarHBondContact CG2-OE1 3.34Å; T98-E102 WeakPolarHBondContact O-CG 3.39Å; T98-E102 PolarHBondContact O-N 3.27Å; M99-E102 WeakPolarHBondContact CA-OE2 3.44Å; E102-L106 WeakPolarHBondContact O-CB 3.21Å; E102-L106 WeakPolarHBondContact O-CG 3.45Å; E102-L106 PolarHBondContact O-N 3.49Å |
| 103 | R | 78.4 | Confident | 79.6 | Confident | 171 Ų | 171 | 99.2 Ų | 99.2 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.4 | -36.3 | 173.8 | -84.6 | -174.4 | 151 | 138.5 | -1.1 | 114.1 | M99 V100 K101 L107 | M99-R103 WeakPolarHBondContact O-CB 3.49Å; M99-R103 WeakPolarHBondContact O-CG 3.31Å; M99-R103 PolarHBondContact O-N 2.86Å; M99-R103 VanDerWaalsContact O-N 3.07Å; V100-R103 PolarHBondContact O-N 3.34Å; K101-R103 VanDerWaalsContact C-N 3.27Å; K101-R103 PolarHBondContact O-N 3.48Å; R103-L107 VanDerWaalsContact O-CB 3.31Å; R103-L107 WeakPolarHBondContact O-CB 3.34Å; R103-L107 WeakPolarHBondContact O-CG 3.45Å; R103-L107 PolarHBondContact O-N 3.1Å |
| 104 | D | 81.1 | Confident | 79.6 | Confident | 96 Ų | 96 | 104.6 Ų | 104.6 | 51% | 0.513 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.9 | -38.7 | 175.6 | -79.3 | -29.4 | 0 | 0 | 0 | 111.5 | V100 K101 L107 A108 | V100-D104 PolarHBondContact O-N 2.81Å; K101-D104 PolarHBondContact O-N 3.27Å; K101-D104 VanDerWaalsContact O-N 3.15Å; D104-L107 PolarHBondContact O-N 3.27Å; D104-A108 WeakPolarHBondContact O-CB 3.35Å; D104-A108 PolarHBondContact O-N 3.42Å |
| 105 | E | 82.5 | Confident | 79.8 | Confident | 125 Ų | 125 | 106.6 Ų | 106.6 | 58% | 0.584 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.5 | -39.6 | 173.1 | -72.7 | -173.1 | -164.3 | 0 | 0 | 112.2 | K101 A108 K109 | K101-E105 PolarHBondContact O-N 3.45Å; E105-A108 PolarHBondContact O-N 3.24Å; E105-K109 WeakPolarHBondContact O-CG 3.5Å; E105-K109 PolarHBondContact O-N 3.33Å |
| 106 | L | 80.1 | Confident | 79.8 | Confident | 101 Ų | 101 | 106.8 Ų | 106.8 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 169.9 | -81.6 | 166.1 | 0 | 0 | 0 | 111.9 | E102 A108 K109 M110 | E102-L106 WeakPolarHBondContact O-CB 3.21Å; E102-L106 WeakPolarHBondContact O-CG 3.45Å; E102-L106 PolarHBondContact O-N 3.49Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.45Å; L106-K109 PolarHBondContact O-N 3.07Å; L106-M110 VanDerWaalsContact O-CB 3.24Å; L106-M110 WeakPolarHBondContact O-CB 3.37Å; L106-M110 WeakPolarHBondContact O-CG 3.35Å; L106-M110 PolarHBondContact O-N 3.49Å |
| 107 | L | 78.4 | Confident | 79.8 | Confident | 88 Ų | 88 | 106.9 Ų | 106.9 | 46% | 0.461 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -65.6 | -34 | 173.9 | -90.8 | 164.9 | 0 | 0 | 0 | 112.4 | R103 D104 K111 | R103-L107 VanDerWaalsContact O-CB 3.31Å; R103-L107 WeakPolarHBondContact O-CB 3.34Å; R103-L107 WeakPolarHBondContact O-CG 3.45Å; R103-L107 PolarHBondContact O-N 3.1Å; D104-L107 PolarHBondContact O-N 3.27Å; L107-K111 WeakPolarHBondContact O-CB 3.19Å; L107-K111 WeakPolarHBondContact O-CD 3.46Å; L107-K111 WeakPolarHBondContact O-CG 3.26Å; L107-K111 PolarHBondContact O-N 3.32Å |
| 108 | A | 80.9 | Confident | 80 | Confident | 59 Ų | 59 | 108 Ų | 108 | 49% | 0.488 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -67.9 | -47.2 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | D104 E105 L106 K111 S112 | D104-A108 WeakPolarHBondContact O-CB 3.35Å; D104-A108 PolarHBondContact O-N 3.42Å; E105-A108 PolarHBondContact O-N 3.24Å; L106-A108 VanDerWaalsContact C-N 3.33Å; L106-A108 PolarHBondContact O-N 3.45Å; A108-K111 PolarHBondContact O-N 3.36Å; A108-S112 PolarHBondContact O-N 2.96Å |
| 109 | K | 78.8 | Confident | 80.2 | Confident | 114 Ų | 114 | 109 Ų | 109 | 50% | 0.496 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -57.6 | -54.2 | 174 | -73.5 | 171.1 | 179.4 | 170 | 0 | 111 | E105 L106 K111 S112 E113 | E105-K109 WeakPolarHBondContact O-CG 3.5Å; E105-K109 PolarHBondContact O-N 3.33Å; L106-K109 PolarHBondContact O-N 3.07Å; K109-K111 VanDerWaalsContact C-N 3.28Å; K109-K111 PolarHBondContact O-N 3.44Å; K109-S112 CarbonylContact O-C 3.59Å; K109-S112 WeakPolarHBondContact O-CA 3.47Å; K109-S112 PolarHBondContact O-N 3.18Å; K109-S112 PolarHBondContact O-OG 3.01Å; K109-E113 PolarHBondContact O-N 3.01Å |
| 110 | M | 79.4 | Confident | 80.3 | Confident | 120 Ų | 120 | 108.7 Ų | 108.7 | 59% | 0.591 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -57.3 | -34.4 | 177.6 | -73.5 | -78 | -74.7 | 0 | 0 | 113.4 | L106 R114 | L106-M110 VanDerWaalsContact O-CB 3.24Å; L106-M110 WeakPolarHBondContact O-CB 3.37Å; L106-M110 WeakPolarHBondContact O-CG 3.35Å; L106-M110 PolarHBondContact O-N 3.49Å; M110-R114 VanDerWaalsContact O-CB 3.25Å; M110-R114 WeakPolarHBondContact O-CB 3.49Å; M110-R114 PolarHBondContact O-N 2.67Å |
| 111 | K | 80.8 | Confident | 80.3 | Confident | 142 Ų | 142 | 107 Ų | 107 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.7 | -45.2 | 172.2 | -78.4 | 168.6 | -172.3 | 172.7 | 0 | 111.8 | L107 A108 K109 R114 E115 | L107-K111 WeakPolarHBondContact O-CB 3.19Å; L107-K111 WeakPolarHBondContact O-CD 3.46Å; L107-K111 WeakPolarHBondContact O-CG 3.26Å; L107-K111 PolarHBondContact O-N 3.32Å; A108-K111 PolarHBondContact O-N 3.36Å; K109-K111 VanDerWaalsContact C-N 3.28Å; K109-K111 PolarHBondContact O-N 3.44Å; K111-R114 PolarHBondContact O-N 2.75Å; K111-E115 WeakPolarHBondContact O-CB 3.27Å; K111-E115 PolarHBondContact O-N 2.89Å |
| 112 | S | 78.7 | Confident | 80.4 | Confident | 54 Ų | 54 | 105.2 Ų | 105.2 | 38% | 0.378 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68 | -33.6 | 177.6 | 73.5 | 0 | 0 | 0 | 0 | 113.2 | A108 K109 N116 | A108-S112 PolarHBondContact O-N 2.96Å; K109-S112 CarbonylContact O-C 3.59Å; K109-S112 WeakPolarHBondContact O-CA 3.47Å; K109-S112 PolarHBondContact O-N 3.18Å; K109-S112 PolarHBondContact O-OG 3.01Å; S112-N116 WeakPolarHBondContact O-CB 3.33Å; S112-N116 PolarHBondContact O-N 2.79Å; S112-N116 PolarHBondContact O-ND2 3.48Å |
| 113 | E | 78.1 | Confident | 80.5 | Confident | 110 Ų | 110 | 104.8 Ų | 104.8 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.1 | -42.3 | 173.3 | -72.8 | -177.4 | 166.5 | 0 | 0 | 110.9 | K109 E115 N116 I117 | K109-E113 PolarHBondContact O-N 3.01Å; E113-E115 VanDerWaalsContact C-N 3.35Å; E113-E115 PolarHBondContact O-N 2.88Å; E113-N116 PolarHBondContact O-N 3.29Å; E113-I117 WeakPolarHBondContact O-CB 3.22Å; E113-I117 WeakPolarHBondContact O-CD1 3.41Å; E113-I117 WeakPolarHBondContact O-CG1 3.35Å; E113-I117 PolarHBondContact O-N 2.83Å |
| 114 | R | 79.2 | Confident | 80.6 | Confident | 165 Ų | 165 | 104.4 Ų | 104.4 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -57.3 | -47.9 | 170.4 | 177.9 | -179.7 | 168.1 | 164.6 | 1.2 | 111.2 | M110 K111 N116 I117 E118 | M110-R114 VanDerWaalsContact O-CB 3.25Å; M110-R114 WeakPolarHBondContact O-CB 3.49Å; M110-R114 PolarHBondContact O-N 2.67Å; K111-R114 PolarHBondContact O-N 2.75Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-N116 PolarHBondContact O-N 2.76Å; R114-I117 CarbonylContact O-C 3.57Å; R114-I117 PolarHBondContact O-N 3.35Å; R114-E118 IonicContact CZ-OE2 3.12Å; R114-E118 IonicContact NE-OE2 3.91Å; R114-E118 PolarHBondContact NE-OE2 2.75Å; R114-E118 IonicContact NH2-OE1 3.7Å; R114-E118 IonicContact NH2-OE2 2.75Å; R114-E118 PolarHBondContact NH2-OE2 3.12Å; R114-E118 VanDerWaalsContact O-CB 3.22Å; R114-E118 WeakPolarHBondContact O-CB 3.4Å; R114-E118 PolarHBondContact O-N 2.85Å |
| 115 | E | 83.3 | Confident | 80.7 | Confident | 132 Ų | 132 | 105.6 Ų | 105.6 | 62% | 0.617 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.6 | -39.8 | 179.7 | -172.7 | 169.6 | -163.4 | 0 | 0 | 111.7 | K111 E113 E118 N119 | K111-E115 WeakPolarHBondContact O-CB 3.27Å; K111-E115 PolarHBondContact O-N 2.89Å; E113-E115 VanDerWaalsContact C-N 3.35Å; E113-E115 PolarHBondContact O-N 2.88Å; E115-E118 PolarHBondContact O-N 3.39Å; E115-N119 WeakPolarHBondContact O-CB 3.46Å; E115-N119 PolarHBondContact O-N 3.4Å; E115-N119 PolarHBondContact O-ND2 3.36Å |
| 116 | N | 79.9 | Confident | 80.7 | Confident | 98 Ų | 98 | 105.9 Ų | 105.9 | 52% | 0.524 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -42.9 | 171.3 | -82.3 | -50.4 | 0 | 0 | 0 | 112.8 | S112 E113 R114 E118 N119 I120 | S112-N116 WeakPolarHBondContact O-CB 3.33Å; S112-N116 PolarHBondContact O-N 2.79Å; S112-N116 PolarHBondContact O-ND2 3.48Å; E113-N116 PolarHBondContact O-N 3.29Å; R114-N116 VanDerWaalsContact C-N 3.34Å; R114-N116 PolarHBondContact O-N 2.76Å; N116-E118 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact O-N 3.34Å; N116-N119 PolarHBondContact O-N 3.11Å; N116-I120 WeakPolarHBondContact O-CB 3.42Å; N116-I120 WeakPolarHBondContact O-CD1 3.47Å; N116-I120 WeakPolarHBondContact O-CG1 3.31Å; N116-I120 PolarHBondContact O-N 2.79Å |
| 117 | I | 79.6 | Confident | 80.7 | Confident | 114 Ų | 114 | 106.6 Ų | 106.6 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -36.8 | 177.1 | -71 | 164.3 | 0 | 0 | 0 | 111 | E113 R114 I120 S121 | E113-I117 WeakPolarHBondContact O-CB 3.22Å; E113-I117 WeakPolarHBondContact O-CD1 3.41Å; E113-I117 WeakPolarHBondContact O-CG1 3.35Å; E113-I117 PolarHBondContact O-N 2.83Å; R114-I117 CarbonylContact O-C 3.57Å; R114-I117 PolarHBondContact O-N 3.35Å; I117-I120 PolarHBondContact O-N 3.06Å; I117-S121 WeakPolarHBondContact O-CB 3.5Å; I117-S121 PolarHBondContact O-N 3.43Å |
| 118 | E | 83 | Confident | 80.7 | Confident | 100 Ų | 100 | 106.7 Ų | 106.7 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.1 | -42.6 | 178.4 | -159.7 | 137.4 | -157.1 | 0 | 0 | 109.8 | R114 E115 N116 S121 E122 | R114-E118 IonicContact CZ-OE2 3.12Å; R114-E118 IonicContact NE-OE2 3.91Å; R114-E118 PolarHBondContact NE-OE2 2.75Å; R114-E118 IonicContact NH2-OE1 3.7Å; R114-E118 IonicContact NH2-OE2 2.75Å; R114-E118 PolarHBondContact NH2-OE2 3.12Å; R114-E118 VanDerWaalsContact O-CB 3.22Å; R114-E118 WeakPolarHBondContact O-CB 3.4Å; R114-E118 PolarHBondContact O-N 2.85Å; E115-E118 PolarHBondContact O-N 3.39Å; N116-E118 VanDerWaalsContact C-N 3.33Å; N116-E118 PolarHBondContact O-N 3.34Å; E118-S121 WeakPolarHBondContact O-CB 3.42Å; E118-S121 PolarHBondContact O-N 3.35Å; E118-E122 PolarHBondContact O-N 2.82Å |
| 119 | N | 82.5 | Confident | 80.7 | Confident | 88 Ų | 88 | 110.5 Ų | 110.5 | 47% | 0.471 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -44.8 | 169.8 | -79.2 | -57.1 | 0 | 0 | 0 | 113.4 | E115 N116 S121 E122 E123 | E115-N119 WeakPolarHBondContact O-CB 3.46Å; E115-N119 PolarHBondContact O-N 3.4Å; E115-N119 PolarHBondContact O-ND2 3.36Å; N116-N119 PolarHBondContact O-N 3.11Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 3.45Å; N119-E122 PolarHBondContact O-N 3.44Å; N119-E123 PolarHBondContact O-N 3.33Å |
| 120 | I | 81 | Confident | 80.9 | Confident | 89 Ų | 89 | 112 Ų | 112 | 46% | 0.456 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66.1 | -34.4 | 175.8 | -70.1 | 164.4 | 0 | 0 | 0 | 110.7 | N116 I117 R124 | N116-I120 WeakPolarHBondContact O-CB 3.42Å; N116-I120 WeakPolarHBondContact O-CD1 3.47Å; N116-I120 WeakPolarHBondContact O-CG1 3.31Å; N116-I120 PolarHBondContact O-N 2.79Å; I117-I120 PolarHBondContact O-N 3.06Å; I120-R124 HydrophobicContact CG2-CG 4.4Å; I120-R124 VanDerWaalsContact O-CB 3.26Å; I120-R124 WeakPolarHBondContact O-CB 3.41Å; I120-R124 VanDerWaalsContact O-CG 3.28Å; I120-R124 WeakPolarHBondContact O-CG 3.27Å; I120-R124 PolarHBondContact O-N 2.76Å |
| 121 | S | 79.7 | Confident | 80.9 | Confident | 49 Ų | 49 | 111.6 Ų | 111.6 | 34% | 0.343 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.4 | -42.7 | 173 | -172.3 | 0 | 0 | 0 | 0 | 111.1 | I117 E118 N119 K125 | I117-S121 WeakPolarHBondContact O-CB 3.5Å; I117-S121 PolarHBondContact O-N 3.43Å; E118-S121 WeakPolarHBondContact O-CB 3.42Å; E118-S121 PolarHBondContact O-N 3.35Å; N119-S121 VanDerWaalsContact C-N 3.3Å; N119-S121 PolarHBondContact O-N 3.45Å; S121-K125 WeakPolarHBondContact O-CB 3.19Å; S121-K125 WeakPolarHBondContact O-CD 3.11Å; S121-K125 WeakPolarHBondContact O-CG 3.28Å; S121-K125 PolarHBondContact O-N 2.58Å; S121-K125 WeakPolarHBondContact OG-CE 3.21Å; S121-K125 PolarHBondContact OG-NZ 3.45Å |
| 122 | E | 82.9 | Confident | 80.8 | Confident | 95 Ų | 95 | 110 Ų | 110 | 44% | 0.444 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.9 | -46.3 | 173.6 | -71.8 | -147 | 159.7 | 0 | 0 | 113.3 | E118 N119 R124 K125 R126 | E118-E122 PolarHBondContact O-N 2.82Å; N119-E122 PolarHBondContact O-N 3.44Å; E122-R124 VanDerWaalsContact C-N 3.33Å; E122-R124 PolarHBondContact O-N 3.32Å; E122-K125 CarbonylContact O-C 3.51Å; E122-K125 WeakPolarHBondContact O-CA 3.44Å; E122-K125 WeakPolarHBondContact O-CB 3.27Å; E122-K125 PolarHBondContact O-N 3.24Å; E122-K125 VanDerWaalsContact O-N 3.1Å; E122-R126 WeakPolarHBondContact O-CG 3.39Å; E122-R126 PolarHBondContact O-N 3.33Å; E122-R126 IonicContact OE2-NH2 3.83Å; E122-R126 PolarHBondContact OE2-NH2 3.31Å |
| 123 | E | 82.7 | Confident | 80.9 | Confident | 91 Ų | 91 | 114.6 Ų | 114.6 | 43% | 0.425 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 179.6 | -166.6 | 56.3 | -141.6 | 0 | 0 | 111.3 | N119 R126 Q127 | N119-E123 PolarHBondContact O-N 3.33Å; E123-R126 WeakPolarHBondContact O-CB 3.28Å; E123-R126 PolarHBondContact O-N 2.91Å; E123-R126 WeakPolarHBondContact OE2-CD 3.46Å; E123-R126 IonicContact OE2-CZ 3.65Å; E123-R126 IonicContact OE2-NE 2.68Å; E123-R126 IonicContact OE2-NH1 3.58Å; E123-R126 PolarHBondContact OE2-NH1 3.34Å; E123-Q127 PolarHBondContact O-N 2.82Å |
| 124 | R | 80.9 | Confident | 81 | Confident | 163 Ų | 163 | 114.5 Ų | 114.5 | 62% | 0.615 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -63.1 | -38.8 | 169.3 | -75.2 | -179.5 | 176.2 | -166.2 | 0 | 112.2 | I120 E122 R126 Q127 I128 | I120-R124 HydrophobicContact CG2-CG 4.4Å; I120-R124 VanDerWaalsContact O-CB 3.26Å; I120-R124 WeakPolarHBondContact O-CB 3.41Å; I120-R124 VanDerWaalsContact O-CG 3.28Å; I120-R124 WeakPolarHBondContact O-CG 3.27Å; I120-R124 PolarHBondContact O-N 2.76Å; E122-R124 VanDerWaalsContact C-N 3.33Å; E122-R124 PolarHBondContact O-N 3.32Å; R124-R126 VanDerWaalsContact C-N 3.35Å; R124-Q127 PolarHBondContact O-N 3.15Å; R124-I128 WeakPolarHBondContact O-CB 3.41Å; R124-I128 WeakPolarHBondContact O-CD1 3.43Å; R124-I128 WeakPolarHBondContact O-CG1 3.25Å; R124-I128 PolarHBondContact O-N 3.1Å |
| 125 | K | 82.1 | Confident | 80.8 | Confident | 121 Ų | 121 | 109.9 Ų | 109.9 | 53% | 0.526 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62.1 | -40.2 | 172.3 | -74.2 | 163.6 | -165.5 | 165.5 | 0 | 111.5 | S121 E122 M129 | S121-K125 WeakPolarHBondContact O-CB 3.19Å; S121-K125 WeakPolarHBondContact O-CD 3.11Å; S121-K125 WeakPolarHBondContact O-CG 3.28Å; S121-K125 PolarHBondContact O-N 2.58Å; S121-K125 WeakPolarHBondContact OG-CE 3.21Å; S121-K125 PolarHBondContact OG-NZ 3.45Å; E122-K125 CarbonylContact O-C 3.51Å; E122-K125 WeakPolarHBondContact O-CA 3.44Å; E122-K125 WeakPolarHBondContact O-CB 3.27Å; E122-K125 PolarHBondContact O-N 3.24Å; E122-K125 VanDerWaalsContact O-N 3.1Å; K125-M129 VanDerWaalsContact O-CB 3.26Å; K125-M129 WeakPolarHBondContact O-CB 3.47Å; K125-M129 PolarHBondContact O-N 2.89Å |
| 126 | R | 82.3 | Confident | 80.6 | Confident | 130 Ų | 130 | 107 Ų | 107 | 49% | 0.491 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 174.9 | -65 | 169 | -157 | 162.8 | 3 | 111.7 | E122 E123 R124 M129 K130 | E122-R126 WeakPolarHBondContact O-CG 3.39Å; E122-R126 PolarHBondContact O-N 3.33Å; E122-R126 IonicContact OE2-NH2 3.83Å; E122-R126 PolarHBondContact OE2-NH2 3.31Å; E123-R126 WeakPolarHBondContact O-CB 3.28Å; E123-R126 PolarHBondContact O-N 2.91Å; E123-R126 WeakPolarHBondContact OE2-CD 3.46Å; E123-R126 IonicContact OE2-CZ 3.65Å; E123-R126 IonicContact OE2-NE 2.68Å; E123-R126 IonicContact OE2-NH1 3.58Å; E123-R126 PolarHBondContact OE2-NH1 3.34Å; R124-R126 VanDerWaalsContact C-N 3.35Å; R126-M129 PolarHBondContact O-N 3.34Å; R126-K130 PolarHBondContact O-N 3.46Å |
| 127 | Q | 79.7 | Confident | 80.6 | Confident | 116 Ų | 116 | 106.1 Ų | 106.1 | 54% | 0.542 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.6 | -46.5 | 174.1 | -86.1 | -175.1 | -23 | 0 | 0 | 112.4 | E123 R124 M129 K130 M131 | E123-Q127 PolarHBondContact O-N 2.82Å; R124-Q127 PolarHBondContact O-N 3.15Å; Q127-M129 VanDerWaalsContact C-N 3.3Å; Q127-M129 PolarHBondContact O-N 3.17Å; Q127-K130 WeakPolarHBondContact O-CB 3.43Å; Q127-K130 PolarHBondContact O-N 2.98Å; Q127-M131 WeakPolarHBondContact O-CG 3.27Å; Q127-M131 PolarHBondContact O-N 3.23Å |
| 128 | I | 79.8 | Confident | 80.5 | Confident | 90 Ų | 90 | 105.2 Ų | 105.2 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.4 | -41.1 | 175.4 | -70.7 | 164.4 | 0 | 0 | 0 | 110.3 | R124 K130 M131 L132 | R124-I128 WeakPolarHBondContact O-CB 3.41Å; R124-I128 WeakPolarHBondContact O-CD1 3.43Å; R124-I128 WeakPolarHBondContact O-CG1 3.25Å; R124-I128 PolarHBondContact O-N 3.1Å; I128-K130 PolarHBondContact O-N 3.32Å; I128-M131 PolarHBondContact O-N 3.28Å; I128-L132 HydrophobicContact CG2-CD1 3.8Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.4Å; I128-L132 VanDerWaalsContact O-CG 3.25Å; I128-L132 WeakPolarHBondContact O-CG 3.48Å; I128-L132 PolarHBondContact O-N 2.88Å |
| 129 | M | 80.9 | Confident | 80.1 | Confident | 139 Ų | 139 | 108 Ų | 108 | 69% | 0.685 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -67.6 | -34.3 | 177.7 | -165 | 176.2 | -68.2 | 0 | 0 | 112.8 | K125 R126 Q127 K133 | K125-M129 VanDerWaalsContact O-CB 3.26Å; K125-M129 WeakPolarHBondContact O-CB 3.47Å; K125-M129 PolarHBondContact O-N 2.89Å; R126-M129 PolarHBondContact O-N 3.34Å; Q127-M129 VanDerWaalsContact C-N 3.3Å; Q127-M129 PolarHBondContact O-N 3.17Å; M129-K133 PolarHBondContact O-N 3.39Å |
| 130 | K | 81.7 | Confident | 80.1 | Confident | 145 Ų | 145 | 109.7 Ų | 109.7 | 63% | 0.63 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -62.8 | -54.2 | 167.1 | -85.7 | -175 | 173.2 | 179.5 | 0 | 111.5 | R126 Q127 I128 L132 K133 E134 | R126-K130 PolarHBondContact O-N 3.46Å; Q127-K130 WeakPolarHBondContact O-CB 3.43Å; Q127-K130 PolarHBondContact O-N 2.98Å; I128-K130 PolarHBondContact O-N 3.32Å; K130-L132 VanDerWaalsContact C-N 3.28Å; K130-L132 PolarHBondContact O-N 2.89Å; K130-K133 WeakPolarHBondContact O-CA 3.44Å; K130-K133 WeakPolarHBondContact O-CB 3.25Å; K130-K133 PolarHBondContact O-N 3.08Å; K130-E134 PolarHBondContact O-N 2.87Å |
| 131 | M | 79.5 | Confident | 80 | Confident | 112 Ų | 112 | 112.4 Ų | 112.4 | 55% | 0.552 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -61.6 | -34.5 | -178.7 | -69.2 | -158.1 | -54.9 | 0 | 0 | 112.6 | Q127 I128 E134 T135 | Q127-M131 WeakPolarHBondContact O-CG 3.27Å; Q127-M131 PolarHBondContact O-N 3.23Å; I128-M131 PolarHBondContact O-N 3.28Å; M131-E134 PolarHBondContact O-N 3.32Å; M131-T135 WeakPolarHBondContact O-CB 3.5Å; M131-T135 PolarHBondContact O-N 3.32Å; M131-T135 PolarHBondContact O-OG1 3.48Å |
| 132 | L | 80 | Confident | 79.9 | Confident | 110 Ų | 110 | 114.4 Ų | 114.4 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -65.8 | -39.3 | 173 | -75.5 | 171.1 | 0 | 0 | 0 | 111.9 | I128 K130 T135 S136 | I128-L132 HydrophobicContact CG2-CD1 3.8Å; I128-L132 HydrophobicContact CG2-CG 4.2Å; I128-L132 WeakPolarHBondContact O-CB 3.4Å; I128-L132 VanDerWaalsContact O-CG 3.25Å; I128-L132 WeakPolarHBondContact O-CG 3.48Å; I128-L132 PolarHBondContact O-N 2.88Å; K130-L132 VanDerWaalsContact C-N 3.28Å; K130-L132 PolarHBondContact O-N 2.89Å; L132-T135 PolarHBondContact O-N 3.2Å; L132-S136 WeakPolarHBondContact O-CB 3.24Å; L132-S136 PolarHBondContact O-N 3.13Å |
| 133 | K | 80.8 | Confident | 79.7 | Confident | 149 Ų | 149 | 114.2 Ų | 114.2 | 65% | 0.648 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -68 | -40.6 | 175.2 | -168.2 | 173.7 | -175.6 | 176.6 | 0 | 111.8 | M129 K130 S136 N137 | M129-K133 PolarHBondContact O-N 3.39Å; K130-K133 WeakPolarHBondContact O-CA 3.44Å; K130-K133 WeakPolarHBondContact O-CB 3.25Å; K130-K133 PolarHBondContact O-N 3.08Å; K133-S136 WeakPolarHBondContact O-CB 3.42Å; K133-S136 PolarHBondContact O-N 3.24Å; K133-N137 VanDerWaalsContact O-CG 3.24Å; K133-N137 PolarHBondContact O-N 2.87Å; K133-N137 PolarHBondContact O-OD1 2.8Å |
| 134 | E | 79.8 | Confident | 79.6 | Confident | 109 Ų | 109 | 116 Ų | 116 | 51% | 0.509 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -66 | -42 | 173.8 | -71.9 | 161.3 | -164.9 | 0 | 0 | 111.5 | K130 M131 S136 N137 V138 | K130-E134 PolarHBondContact O-N 2.87Å; M131-E134 PolarHBondContact O-N 3.32Å; E134-S136 VanDerWaalsContact C-N 3.3Å; E134-S136 PolarHBondContact O-N 3.33Å; E134-N137 PolarHBondContact O-N 3.42Å; E134-V138 WeakPolarHBondContact O-CG2 3.35Å; E134-V138 PolarHBondContact O-N 2.94Å |
| 135 | T | 74.8 | Confident | 79.4 | Confident | 68 Ų | 68 | 114.8 Ų | 114.8 | 42% | 0.417 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.9 | -37.4 | 173.2 | -59.2 | 0 | 0 | 0 | 0 | 111.6 | M131 L132 V138 R139 | M131-T135 WeakPolarHBondContact O-CB 3.5Å; M131-T135 PolarHBondContact O-N 3.32Å; M131-T135 PolarHBondContact O-OG1 3.48Å; L132-T135 PolarHBondContact O-N 3.2Å; T135-V138 PolarHBondContact O-N 3.35Å; T135-R139 VanDerWaalsContact O-CB 3.28Å; T135-R139 WeakPolarHBondContact O-CB 3.34Å; T135-R139 PolarHBondContact O-N 3.04Å |
| 136 | S | 79.9 | Confident | 79.2 | Confident | 72 Ų | 72 | 112.9 Ų | 112.9 | 50% | 0.503 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63 | -48.7 | 173.2 | -166.3 | 0 | 0 | 0 | 0 | 111.3 | L132 K133 E134 V138 R139 E140 | L132-S136 WeakPolarHBondContact O-CB 3.24Å; L132-S136 PolarHBondContact O-N 3.13Å; K133-S136 WeakPolarHBondContact O-CB 3.42Å; K133-S136 PolarHBondContact O-N 3.24Å; E134-S136 VanDerWaalsContact C-N 3.3Å; E134-S136 PolarHBondContact O-N 3.33Å; S136-V138 VanDerWaalsContact C-N 3.28Å; S136-V138 PolarHBondContact O-N 3.42Å; S136-R139 PolarHBondContact O-N 3.08Å; S136-R139 VanDerWaalsContact O-N 3.17Å; S136-E140 PolarHBondContact O-N 3.23Å |
| 137 | N | 80 | Confident | 79.1 | Confident | 78 Ų | 78 | 108.1 Ų | 108.1 | 42% | 0.417 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -64.1 | -31.6 | 178.2 | -64.2 | -7.2 | 0 | 0 | 0 | 112.7 | K133 E134 K141 | K133-N137 VanDerWaalsContact O-CG 3.24Å; K133-N137 PolarHBondContact O-N 2.87Å; K133-N137 PolarHBondContact O-OD1 2.8Å; E134-N137 PolarHBondContact O-N 3.42Å; N137-K141 WeakPolarHBondContact O-CG 3.41Å; N137-K141 PolarHBondContact O-N 2.93Å |
| 138 | V | 77 | Confident | 79.1 | Confident | 96 Ų | 96 | 111.1 Ų | 111.1 | 58% | 0.582 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -74.8 | -38.5 | 173.8 | 170.6 | 0 | 0 | 0 | 0 | 111 | E134 T135 S136 K141 L142 | E134-V138 WeakPolarHBondContact O-CG2 3.35Å; E134-V138 PolarHBondContact O-N 2.94Å; T135-V138 PolarHBondContact O-N 3.35Å; S136-V138 VanDerWaalsContact C-N 3.28Å; S136-V138 PolarHBondContact O-N 3.42Å; V138-K141 PolarHBondContact O-N 2.74Å; V138-L142 WeakPolarHBondContact O-CB 3.46Å; V138-L142 PolarHBondContact O-N 3.17Å |
| 139 | R | 75.2 | Confident | 78.7 | Confident | 157 Ų | 157 | 109.8 Ų | 109.8 | 59% | 0.592 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -66 | -45.4 | 177.4 | -166.6 | 174.4 | -61.5 | -163.2 | 0.3 | 111.6 | T135 S136 K141 L142 D143 | T135-R139 VanDerWaalsContact O-CB 3.28Å; T135-R139 WeakPolarHBondContact O-CB 3.34Å; T135-R139 PolarHBondContact O-N 3.04Å; S136-R139 PolarHBondContact O-N 3.08Å; S136-R139 VanDerWaalsContact O-N 3.17Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 3.13Å; R139-L142 CarbonylContact O-C 3.52Å; R139-L142 WeakPolarHBondContact O-CA 3.44Å; R139-L142 WeakPolarHBondContact O-CB 3.47Å; R139-L142 PolarHBondContact O-N 3.44Å; R139-D143 VanDerWaalsContact O-CG 3.25Å; R139-D143 PolarHBondContact O-N 3.21Å |
| 140 | E | 80.7 | Confident | 78.6 | Confident | 124 Ų | 124 | 109 Ų | 109 | 58% | 0.579 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -57.3 | -42 | 174.1 | -177 | 178.7 | -148.4 | 0 | 0 | 112.2 | S136 L144 | S136-E140 PolarHBondContact O-N 3.23Å; E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.34Å; E140-L144 VanDerWaalsContact O-N 3.08Å |
| 141 | K | 80.3 | Confident | 78.4 | Confident | 146 Ų | 146 | 108.4 Ų | 108.4 | 64% | 0.635 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -65.6 | -39.5 | 173.2 | -74.6 | 175.6 | -179.5 | -178.3 | 0 | 112.7 | N137 V138 R139 Q145 | N137-K141 WeakPolarHBondContact O-CG 3.41Å; N137-K141 PolarHBondContact O-N 2.93Å; V138-K141 PolarHBondContact O-N 2.74Å; R139-K141 VanDerWaalsContact C-N 3.3Å; R139-K141 PolarHBondContact O-N 3.13Å; K141-Q145 WeakPolarHBondContact O-CB 3.32Å; K141-Q145 PolarHBondContact O-N 2.77Å |
| 142 | L | 76.8 | Confident | 78.3 | Confident | 91 Ų | 91 | 108.1 Ų | 108.1 | 48% | 0.476 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.1 | -42.7 | 177.2 | -176.9 | 63.6 | 0 | 0 | 0 | 111.2 | V138 R139 Q145 I146 | V138-L142 WeakPolarHBondContact O-CB 3.46Å; V138-L142 PolarHBondContact O-N 3.17Å; R139-L142 CarbonylContact O-C 3.52Å; R139-L142 WeakPolarHBondContact O-CA 3.44Å; R139-L142 WeakPolarHBondContact O-CB 3.47Å; R139-L142 PolarHBondContact O-N 3.44Å; L142-Q145 CarbonylContact O-C 3.53Å; L142-Q145 WeakPolarHBondContact O-CA 3.47Å; L142-Q145 PolarHBondContact O-N 3.5Å; L142-I146 HydrophobicContact CD1-CD1 4.36Å; L142-I146 HydrophobicContact CD1-CG1 4.45Å; L142-I146 HydrophobicContact CG-CD1 3.91Å; L142-I146 HydrophobicContact CG-CG1 4.43Å; L142-I146 VanDerWaalsContact O-CG1 3.32Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 2.97Å |
| 143 | D | 79.3 | Confident | 78.1 | Confident | 92 Ų | 92 | 108.9 Ų | 108.9 | 49% | 0.492 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 178.4 | -65.3 | -31 | 0 | 0 | 0 | 111.2 | R139 Q145 I146 G147 | R139-D143 VanDerWaalsContact O-CG 3.25Å; R139-D143 PolarHBondContact O-N 3.21Å; D143-Q145 VanDerWaalsContact C-N 3.29Å; D143-Q145 PolarHBondContact O-N 3.33Å; D143-I146 PolarHBondContact O-N 2.7Å; D143-G147 PolarHBondContact O-N 3.36Å |
| 144 | L | 81 | Confident | 77.9 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 67% | 0.665 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -60 | -37.7 | 169.8 | -75.2 | 168.5 | 0 | 0 | 0 | 112.5 | E140 R148 | E140-L144 WeakPolarHBondContact O-CG 3.33Å; E140-L144 PolarHBondContact O-N 3.34Å; E140-L144 VanDerWaalsContact O-N 3.08Å; L144-R148 PolarHBondContact O-N 3.39Å; L144-R148 VanDerWaalsContact O-N 3.14Å |
| 145 | Q | 76.2 | Confident | 77.9 | Confident | 139 Ų | 139 | 105.4 Ų | 105.4 | 65% | 0.65 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -77.8 | -34.3 | -178.8 | -162.8 | 163.3 | 0.5 | 0 | 0 | 112.4 | K141 L142 D143 R148 S149 | K141-Q145 WeakPolarHBondContact O-CB 3.32Å; K141-Q145 PolarHBondContact O-N 2.77Å; L142-Q145 CarbonylContact O-C 3.53Å; L142-Q145 WeakPolarHBondContact O-CA 3.47Å; L142-Q145 PolarHBondContact O-N 3.5Å; D143-Q145 VanDerWaalsContact C-N 3.29Å; D143-Q145 PolarHBondContact O-N 3.33Å; Q145-R148 PolarHBondContact O-N 3.36Å; Q145-S149 PolarHBondContact O-N 2.8Å |
| 146 | I | 78.3 | Confident | 77.9 | Confident | 80 Ų | 80 | 106.6 Ų | 106.6 | 41% | 0.41 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -47.8 | 169.4 | -71 | 166.7 | 0 | 0 | 0 | 110.1 | L142 D143 R148 S149 M150 | L142-I146 HydrophobicContact CD1-CD1 4.36Å; L142-I146 HydrophobicContact CD1-CG1 4.45Å; L142-I146 HydrophobicContact CG-CD1 3.91Å; L142-I146 HydrophobicContact CG-CG1 4.43Å; L142-I146 VanDerWaalsContact O-CG1 3.32Å; L142-I146 WeakPolarHBondContact O-CG1 3.5Å; L142-I146 PolarHBondContact O-N 2.97Å; D143-I146 PolarHBondContact O-N 2.7Å; I146-R148 PolarHBondContact O-N 3.39Å; I146-S149 WeakPolarHBondContact O-CA 3.45Å; I146-S149 WeakPolarHBondContact O-CB 3.48Å; I146-S149 PolarHBondContact O-N 2.91Å; I146-M150 HydrophobicContact CG2-CG 4.46Å; I146-M150 HydrophobicContact CG2-SD 4.24Å; I146-M150 WeakPolarHBondContact O-CG 3.44Å; I146-M150 PolarHBondContact O-N 2.75Å |
| 147 | G | 79 | Confident | 77.7 | Confident | 31 Ų | 31 | 106 Ų | 106 | 32% | 0.32 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -56.9 | -37.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | D143 Q151 | D143-G147 PolarHBondContact O-N 3.36Å; G147-Q151 WeakPolarHBondContact O-CG 3.19Å; G147-Q151 PolarHBondContact O-N 3.17Å; G147-Q151 VanDerWaalsContact O-N 3.17Å |
| 148 | R | 79.2 | Confident | 77.6 | Confident | 179 Ų | 179 | 111.7 Ų | 111.7 | 68% | 0.675 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -70.5 | -35 | 174.2 | -148.8 | 173.3 | -166.3 | 172.5 | 3.3 | 112.9 | L144 Q145 I146 Q151 L152 | L144-R148 PolarHBondContact O-N 3.39Å; L144-R148 VanDerWaalsContact O-N 3.14Å; Q145-R148 PolarHBondContact O-N 3.36Å; I146-R148 PolarHBondContact O-N 3.39Å; R148-Q151 PolarHBondContact O-N 3.44Å; R148-L152 WeakPolarHBondContact O-CG 3.28Å; R148-L152 PolarHBondContact O-N 3.37Å |
| 149 | S | 73.2 | Confident | 77.5 | Confident | 61 Ų | 61 | 112.8 Ų | 112.8 | 43% | 0.427 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -65.4 | -44.2 | 173.1 | -161.6 | 0 | 0 | 0 | 0 | 111.6 | Q145 I146 Q151 L152 E153 | Q145-S149 PolarHBondContact O-N 2.8Å; I146-S149 WeakPolarHBondContact O-CA 3.45Å; I146-S149 WeakPolarHBondContact O-CB 3.48Å; I146-S149 PolarHBondContact O-N 2.91Å; S149-Q151 VanDerWaalsContact C-N 3.3Å; S149-Q151 PolarHBondContact O-N 2.95Å; S149-L152 PolarHBondContact O-N 3.21Å; S149-L152 VanDerWaalsContact O-N 3.15Å; S149-E153 WeakPolarHBondContact O-CG 3.43Å; S149-E153 PolarHBondContact O-N 3.42Å |
| 150 | M | 78.6 | Confident | 77.5 | Confident | 122 Ų | 122 | 112 Ų | 112 | 60% | 0.601 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -64 | -33.5 | 177.6 | -66.4 | -179.6 | 75.2 | 0 | 0 | 112.5 | I146 A154 | I146-M150 HydrophobicContact CG2-CG 4.46Å; I146-M150 HydrophobicContact CG2-SD 4.24Å; I146-M150 WeakPolarHBondContact O-CG 3.44Å; I146-M150 PolarHBondContact O-N 2.75Å; M150-A154 WeakPolarHBondContact O-CB 3.45Å; M150-A154 PolarHBondContact O-N 3.26Å |
| 151 | Q | 77.5 | Confident | 77.3 | Confident | 134 Ų | 134 | 109 Ų | 109 | 63% | 0.626 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.8 | -46.4 | 171.4 | -74.3 | 172.9 | -9.4 | 0 | 0 | 111.7 | G147 R148 S149 A154 E155 | G147-Q151 WeakPolarHBondContact O-CG 3.19Å; G147-Q151 PolarHBondContact O-N 3.17Å; G147-Q151 VanDerWaalsContact O-N 3.17Å; R148-Q151 PolarHBondContact O-N 3.44Å; S149-Q151 VanDerWaalsContact C-N 3.3Å; S149-Q151 PolarHBondContact O-N 2.95Å; Q151-A154 PolarHBondContact O-N 3.35Å; Q151-E155 PolarHBondContact O-N 2.96Å |
| 152 | L | 77.5 | Confident | 77.2 | Confident | 105 Ų | 105 | 105.4 Ų | 105.4 | 55% | 0.55 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 177.5 | -69.9 | 168.5 | 0 | 0 | 0 | 112.4 | R148 S149 A154 E155 L156 | R148-L152 WeakPolarHBondContact O-CG 3.28Å; R148-L152 PolarHBondContact O-N 3.37Å; S149-L152 PolarHBondContact O-N 3.21Å; S149-L152 VanDerWaalsContact O-N 3.15Å; L152-A154 VanDerWaalsContact C-N 3.34Å; L152-E155 PolarHBondContact O-N 2.88Å; L152-L156 WeakPolarHBondContact O-CB 3.27Å; L152-L156 PolarHBondContact O-N 3.42Å |
| 153 | E | 75 | Confident | 76.9 | Confident | 126 Ų | 126 | 105.8 Ų | 105.8 | 59% | 0.589 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -64.4 | -37.8 | 174 | -73.4 | -176.5 | 151.5 | 0 | 0 | 112.2 | S149 L156 A157 | S149-E153 WeakPolarHBondContact O-CG 3.43Å; S149-E153 PolarHBondContact O-N 3.42Å; E153-L156 PolarHBondContact O-N 2.84Å; E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 3.07Å |
| 154 | A | 77.1 | Confident | 76.6 | Confident | 63 Ų | 63 | 105.3 Ų | 105.3 | 52% | 0.521 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -65.7 | -39.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | M150 Q151 L152 R158 | M150-A154 WeakPolarHBondContact O-CB 3.45Å; M150-A154 PolarHBondContact O-N 3.26Å; Q151-A154 PolarHBondContact O-N 3.35Å; L152-A154 VanDerWaalsContact C-N 3.34Å; A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 PolarHBondContact O-N 3.48Å |
| 155 | E | 78.3 | Confident | 76.1 | Confident | 122 Ų | 122 | 105.5 Ų | 105.5 | 57% | 0.57 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -66.1 | -42.1 | 172.3 | -70.6 | -169.4 | 131.4 | 0 | 0 | 112.1 | Q151 L152 A157 R158 L159 | Q151-E155 PolarHBondContact O-N 2.96Å; L152-E155 PolarHBondContact O-N 2.88Å; E155-A157 PolarHBondContact O-N 3.21Å; E155-R158 WeakPolarHBondContact O-CB 3.3Å; E155-R158 PolarHBondContact O-N 3.1Å; E155-R158 VanDerWaalsContact O-N 3.15Å; E155-L159 WeakPolarHBondContact O-CG 3.44Å; E155-L159 PolarHBondContact O-N 3.42Å |
| 156 | L | 75.7 | Confident | 75.8 | Confident | 93 Ų | 93 | 103.9 Ų | 103.9 | 49% | 0.487 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.8 | -38 | 179.7 | -150.4 | 167 | 0 | 0 | 0 | 111.4 | L152 E153 L159 K160 | L152-L156 WeakPolarHBondContact O-CB 3.27Å; L152-L156 PolarHBondContact O-N 3.42Å; E153-L156 PolarHBondContact O-N 2.84Å; L156-L159 PolarHBondContact O-N 3.07Å; L156-K160 HydrophobicContact CD2-CD 3.97Å; L156-K160 VanDerWaalsContact CD2-CE 3.46Å; L156-K160 HydrophobicContact CD2-CG 4.28Å; L156-K160 WeakPolarHBondContact O-CG 3.18Å; L156-K160 PolarHBondContact O-N 3.21Å |
| 157 | A | 75.9 | Confident | 75.4 | Confident | 59 Ų | 59 | 105.5 Ų | 105.5 | 49% | 0.488 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 170 | 0 | 0 | 0 | 0 | 0 | 112 | E153 E155 K160 S161 | E153-A157 WeakPolarHBondContact O-CB 3.35Å; E153-A157 PolarHBondContact O-N 3.07Å; E155-A157 PolarHBondContact O-N 3.21Å; A157-K160 PolarHBondContact O-N 2.8Å; A157-S161 PolarHBondContact O-N 3.01Å; A157-S161 VanDerWaalsContact O-N 3.15Å |
| 158 | R | 78.2 | Confident | 74.9 | Confident | 199 Ų | 199 | 107.3 Ų | 107.3 | 75% | 0.751 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -64.3 | -41.1 | 177 | -168.5 | 179.3 | -179.4 | 105.8 | 1.9 | 112.2 | A154 E155 S161 V162 | A154-R158 WeakPolarHBondContact O-CB 3.49Å; A154-R158 PolarHBondContact O-N 3.48Å; E155-R158 WeakPolarHBondContact O-CB 3.3Å; E155-R158 PolarHBondContact O-N 3.1Å; E155-R158 VanDerWaalsContact O-N 3.15Å; R158-S161 WeakPolarHBondContact O-CB 3.39Å; R158-S161 PolarHBondContact O-N 2.87Å; R158-V162 PolarHBondContact O-N 3.22Å |
| 159 | L | 74 | Confident | 74.4 | Confident | 119 Ų | 119 | 100.5 Ų | 100.5 | 62% | 0.623 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.6 | -41.2 | 175.8 | -73.1 | 169.8 | 0 | 0 | 0 | 112.2 | E155 L156 S161 V162 N163 | E155-L159 WeakPolarHBondContact O-CG 3.44Å; E155-L159 PolarHBondContact O-N 3.42Å; L156-L159 PolarHBondContact O-N 3.07Å; L159-S161 VanDerWaalsContact C-N 3.26Å; L159-S161 PolarHBondContact O-N 2.88Å; L159-V162 PolarHBondContact O-N 2.8Å; L159-N163 PolarHBondContact O-N 3.46Å; L159-N163 VanDerWaalsContact O-N 3.13Å |
| 160 | K | 75.9 | Confident | 74 | Confident | 139 Ų | 139 | 102.9 Ų | 102.9 | 60% | 0.604 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.4 | -38.3 | 173.3 | -78 | 174.3 | 174.6 | 174.2 | 0 | 112.3 | L156 A157 V162 N163 T164 | L156-K160 HydrophobicContact CD2-CD 3.97Å; L156-K160 VanDerWaalsContact CD2-CE 3.46Å; L156-K160 HydrophobicContact CD2-CG 4.28Å; L156-K160 WeakPolarHBondContact O-CG 3.18Å; L156-K160 PolarHBondContact O-N 3.21Å; A157-K160 PolarHBondContact O-N 2.8Å; K160-V162 VanDerWaalsContact C-N 3.25Å; K160-V162 PolarHBondContact O-N 2.64Å; K160-N163 PolarHBondContact O-N 2.78Å; K160-T164 PolarHBondContact O-N 3.26Å; K160-T164 PolarHBondContact O-OG1 3.04Å |
| 161 | S | 77 | Confident | 73.1 | Confident | 62 Ų | 62 | 104 Ų | 104 | 43% | 0.434 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.5 | -19.6 | 175.2 | -174.2 | 0 | 0 | 0 | 0 | 114.3 | A157 R158 L159 T164 Q165 | A157-S161 PolarHBondContact O-N 3.01Å; A157-S161 VanDerWaalsContact O-N 3.15Å; R158-S161 WeakPolarHBondContact O-CB 3.39Å; R158-S161 PolarHBondContact O-N 2.87Å; L159-S161 VanDerWaalsContact C-N 3.26Å; L159-S161 PolarHBondContact O-N 2.88Å; S161-T164 PolarHBondContact O-OG1 3.48Å; S161-Q165 WeakPolarHBondContact O-CG 3.4Å |
| 162 | V | 76.8 | Confident | 72.4 | Confident | 70 Ų | 70 | 103.8 Ų | 103.8 | 42% | 0.424 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -86.1 | -41.7 | 175.7 | 175.4 | 0 | 0 | 0 | 0 | 110.5 | R158 L159 K160 T164 Q165 L166 | R158-V162 PolarHBondContact O-N 3.22Å; L159-V162 PolarHBondContact O-N 2.8Å; K160-V162 VanDerWaalsContact C-N 3.25Å; K160-V162 PolarHBondContact O-N 2.64Å; V162-T164 VanDerWaalsContact C-N 3.33Å; V162-T164 PolarHBondContact O-N 2.78Å; V162-Q165 PolarHBondContact O-N 2.77Å; V162-Q165 VanDerWaalsContact O-N 3.09Å; V162-L166 HydrophobicContact CG1-CD1 4.29Å; V162-L166 PolarHBondContact O-N 3.25Å; V162-L166 VanDerWaalsContact O-N 3.15Å |
| 163 | N | 71.1 | Confident | 71.6 | Confident | 99 Ų | 99 | 105.1 Ų | 105.1 | 53% | 0.529 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -57.5 | -44.5 | 176.2 | -98.3 | 27.8 | 0 | 0 | 0 | 112.3 | L159 K160 Q165 L166 E167 | L159-N163 PolarHBondContact O-N 3.46Å; L159-N163 VanDerWaalsContact O-N 3.13Å; K160-N163 PolarHBondContact O-N 2.78Å; N163-Q165 PolarHBondContact O-N 2.87Å; N163-L166 PolarHBondContact O-N 2.88Å; N163-E167 WeakPolarHBondContact O-CG 3.33Å; N163-E167 PolarHBondContact O-N 3.43Å |
| 164 | T | 72.2 | Confident | 70.8 | Confident | 83 Ų | 83 | 103.6 Ų | 103.6 | 51% | 0.509 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -63.8 | -23.8 | 178.7 | 50.1 | 0 | 0 | 0 | 0 | 113.6 | K160 S161 V162 S168 | K160-T164 PolarHBondContact O-N 3.26Å; K160-T164 PolarHBondContact O-OG1 3.04Å; S161-T164 PolarHBondContact O-OG1 3.48Å; V162-T164 VanDerWaalsContact C-N 3.33Å; V162-T164 PolarHBondContact O-N 2.78Å; T164-S168 PolarHBondContact O-OG 2.96Å |
| 165 | Q | 71.4 | Confident | 69.7 | Low | 130 Ų | 130 | 108.5 Ų | 108.5 | 61% | 0.607 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -79.7 | -33 | 173.8 | -68.6 | 177.6 | -5.2 | 0 | 0 | 112 | S161 V162 N163 S168 G169 | S161-Q165 WeakPolarHBondContact O-CG 3.4Å; V162-Q165 PolarHBondContact O-N 2.77Å; V162-Q165 VanDerWaalsContact O-N 3.09Å; N163-Q165 PolarHBondContact O-N 2.87Å; Q165-S168 PolarHBondContact O-OG 3.45Å; Q165-G169 PolarHBondContact O-N 3.06Å |
| 166 | L | 71 | Confident | 68.4 | Low | 105 Ų | 105 | 109.7 Ų | 109.7 | 55% | 0.55 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -71 | -40.5 | 174.3 | -66.3 | 171.3 | 0 | 0 | 0 | 111.8 | V162 N163 S168 G169 I170 | V162-L166 HydrophobicContact CG1-CD1 4.29Å; V162-L166 PolarHBondContact O-N 3.25Å; V162-L166 VanDerWaalsContact O-N 3.15Å; N163-L166 PolarHBondContact O-N 2.88Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.78Å; L166-G169 PolarHBondContact O-N 3.14Å; L166-G169 VanDerWaalsContact O-N 3.13Å; L166-I170 WeakPolarHBondContact O-CG1 3.42Å; L166-I170 PolarHBondContact O-N 3.12Å |
| 167 | E | 68.9 | Low | 67.2 | Low | 115 Ų | 115 | 109.9 Ų | 109.9 | 54% | 0.537 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -61.8 | -39.1 | 177.7 | -72.1 | 173.3 | 152.5 | 0 | 0 | 112.2 | N163 I170 Q171 | N163-E167 WeakPolarHBondContact O-CG 3.33Å; N163-E167 PolarHBondContact O-N 3.43Å; E167-I170 PolarHBondContact O-N 3.33Å; E167-Q171 PolarHBondContact O-N 2.89Å |
| 168 | S | 67.8 | Low | 65.9 | Low | 68 Ų | 68 | 114.3 Ų | 114.3 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -63.4 | -40.3 | 171.9 | 45.3 | 0 | 0 | 0 | 0 | 113.2 | T164 Q165 L166 I170 Q171 E172 | T164-S168 PolarHBondContact O-OG 2.96Å; Q165-S168 PolarHBondContact O-OG 3.45Å; L166-S168 VanDerWaalsContact C-N 3.34Å; L166-S168 PolarHBondContact O-N 2.78Å; S168-I170 VanDerWaalsContact C-N 3.3Å; S168-I170 PolarHBondContact O-N 2.69Å; S168-Q171 PolarHBondContact O-N 3.44Å; S168-E172 PolarHBondContact O-N 3.39Å |
| 169 | G | 69.9 | Low | 64.5 | Low | 37 Ų | 37 | 109.3 Ų | 109.3 | 38% | 0.381 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.8 | -32.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q165 L166 M173 | Q165-G169 PolarHBondContact O-N 3.06Å; L166-G169 PolarHBondContact O-N 3.14Å; L166-G169 VanDerWaalsContact O-N 3.13Å; G169-M173 PolarHBondContact O-N 3.21Å |
| 170 | I | 64.4 | Low | 62.9 | Low | 111 Ų | 111 | 110.4 Ų | 110.4 | 57% | 0.569 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -73 | -35.4 | 178.5 | -67.6 | 169.5 | 0 | 0 | 0 | 111.6 | L166 E167 S168 T174 | L166-I170 WeakPolarHBondContact O-CG1 3.42Å; L166-I170 PolarHBondContact O-N 3.12Å; E167-I170 PolarHBondContact O-N 3.33Å; S168-I170 VanDerWaalsContact C-N 3.3Å; S168-I170 PolarHBondContact O-N 2.69Å; I170-T174 PolarHBondContact O-N 3.26Å; I170-T174 PolarHBondContact O-OG1 2.9Å |
| 171 | Q | 59.7 | Low | 61.2 | Low | 144 Ų | 144 | 108 Ų | 108 | 67% | 0.673 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -70.6 | -30.9 | 175.9 | -69 | -170.5 | 1.5 | 0 | 0 | 113 | E167 S168 T174 | E167-Q171 PolarHBondContact O-N 2.89Å; S168-Q171 PolarHBondContact O-N 3.44Å; Q171-T174 PolarHBondContact O-OG1 3.38Å |
| 172 | E | 62.9 | Low | 59.3 | Low | 131 Ų | 131 | 113.9 Ų | 113.9 | 61% | 0.612 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.2 | -46.9 | 176.3 | -152.1 | 72.2 | -118.8 | 0 | 0 | 111.2 | S168 T174 K175 | S168-E172 PolarHBondContact O-N 3.39Å; E172-T174 PolarHBondContact O-N 3Å; E172-K175 WeakPolarHBondContact O-CB 3.38Å; E172-K175 PolarHBondContact O-N 2.79Å |
| 173 | M | 60.3 | Low | 57.3 | Low | 133 Ų | 133 | 117.2 Ų | 117.2 | 66% | 0.655 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.7 | -36.9 | -178.3 | -67.8 | -158.5 | -60.4 | 0 | 0 | 113.6 | G169 K175 Q176 S177 | G169-M173 PolarHBondContact O-N 3.21Å; M173-K175 PolarHBondContact O-N 3.26Å; M173-Q176 PolarHBondContact O-N 2.78Å; M173-S177 PolarHBondContact O-N 3.36Å |
| 174 | T | 57.4 | Low | 56 | Low | 94 Ų | 94 | 118.1 Ų | 118.1 | 58% | 0.577 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -65 | -25.8 | 177.6 | 24.9 | 0 | 0 | 0 | 0 | 112.5 | I170 Q171 E172 | I170-T174 PolarHBondContact O-N 3.26Å; I170-T174 PolarHBondContact O-OG1 2.9Å; Q171-T174 PolarHBondContact O-OG1 3.38Å; E172-T174 PolarHBondContact O-N 3Å |
| 175 | K | 55.1 | Low | 54.3 | Low | 165 Ų | 165 | 119.1 Ų | 119.1 | 72% | 0.717 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -73.6 | -33.5 | 176.1 | -124.8 | 171.4 | -176.9 | 173.6 | 0 | 113.5 | E172 M173 | E172-K175 WeakPolarHBondContact O-CB 3.38Å; E172-K175 PolarHBondContact O-N 2.79Å; M173-K175 PolarHBondContact O-N 3.26Å |
| 176 | Q | 50.1 | Low | 52.7 | Low | 147 Ų | 147 | 117.5 Ų | 117.5 | 69% | 0.687 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -75.4 | -32.3 | 177.7 | -79 | -175.2 | -20.4 | 0 | 0 | 113.1 | M173 L178 S179 | M173-Q176 PolarHBondContact O-N 2.78Å; Q176-L178 PolarHBondContact O-N 3.23Å; Q176-L178 VanDerWaalsContact O-N 3.15Å; Q176-S179 PolarHBondContact O-N 2.9Å |
| 177 | S | 52 | Low | 50.9 | Low | 98 Ų | 98 | 121 Ų | 121 | 69% | 0.685 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.6 | -21.2 | -176.5 | -171.1 | 0 | 0 | 0 | 0 | 114.7 | M173 | M173-S177 PolarHBondContact O-N 3.36Š|
| 178 | L | 48.6 | Very low | 49.9 | Very low | 151 Ų | 151 | 123.9 Ų | 123.9 | 79% | 0.791 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.3 | -8.8 | -173.2 | -101.2 | 156.9 | 0 | 0 | 0 | 114.5 | Q176 | Q176-L178 PolarHBondContact O-N 3.23Å; Q176-L178 VanDerWaalsContact O-N 3.15Å |
| 179 | S | 47.1 | Very low | 48.5 | Very low | 94 Ų | 94 | 130.9 Ų | 130.9 | 66% | 0.657 | 73% | 0.726 | S | S | * | * | S | Bend | trans | -89.6 | -11.4 | -174.2 | -166.6 | 0 | 0 | 0 | 0 | 115.2 | Q176 | Q176-S179 PolarHBondContact O-N 2.9Š|
| 180 | N | 42.3 | Very low | 46.8 | Very low | 142 Ų | 142 | 134.5 Ų | 134.5 | 76% | 0.759 | 74% | 0.741 | S | S | * | * | S | Bend | trans | -107.1 | 9.4 | -163.9 | -68.9 | -11.4 | 0 | 0 | 0 | 114.9 | ||
| 181 | A | 40.1 | Very low | 45.3 | Very low | 90 Ų | 90 | 135.2 Ų | 135.2 | 74% | 0.744 | 75% | 0.746 | S | S | * | * | S | Bend | trans | -110.8 | 9.9 | -166.1 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 182 | Q | 35.3 | Very low | 44.4 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 75% | 0.752 | S | S | * | * | S | Bend | trans | -129.1 | 4.7 | -165.8 | -79.8 | -169.7 | -27.7 | 0 | 0 | 117.9 | ||
| 183 | T | 35.3 | Very low | 43.5 | Very low | 140 Ų | 140 | 139.7 Ų | 139.7 | 86% | 0.859 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -137.8 | 57.5 | -172.1 | 42.6 | 0 | 0 | 0 | 0 | 115.6 | ||
| 184 | S | 43.2 | Very low | 42.9 | Very low | 118 Ų | 118 | 140.3 Ų | 140.3 | 83% | 0.825 | 77% | 0.768 | S | S | * | * | S | Bend | trans | -152.9 | 146.1 | 162.7 | 63.9 | 0 | 0 | 0 | 0 | 114.2 | ||
| 185 | A | 37.8 | Very low | 42.3 | Very low | 104 Ų | 104 | 144.9 Ų | 144.9 | 86% | 0.86 | 78% | 0.779 | S | S | * | * | trans | 71 | 54.7 | 163.5 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 186 | A | 37.9 | Very low | 42 | Very low | 95 Ų | 95 | 145.2 Ų | 145.2 | 79% | 0.785 | 79% | 0.788 | S | S | * | * | trans | -108.9 | 91.7 | 151 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 187 | E | 32.5 | Very low | 42.3 | Very low | 178 Ų | 178 | 141.6 Ų | 141.6 | 83% | 0.832 | 78% | 0.776 | S | S | * | * | trans | -156.3 | -26.1 | 174 | -136.6 | 162.1 | -149.7 | 0 | 0 | 117.9 | R189 | E187-R189 PolarHBondContact O-N 2.82Š| ||
| 188 | I | 49 | Very low | 42.5 | Very low | 177 Ų | 177 | 140 Ų | 140 | 91% | 0.908 | 77% | 0.769 | S | S | * | * | trans | -76.9 | 78 | 176.9 | -55.9 | 179.5 | 0 | 0 | 0 | 109.7 | ||||
| 189 | R | 37.8 | Very low | 42.7 | Very low | 214 Ų | 214 | 142.2 Ų | 142.2 | 81% | 0.808 | 77% | 0.768 | S | S | * | * | trans | -122.3 | 24.8 | -166.6 | -157.6 | -146.7 | -149.7 | 113.5 | 3.8 | 112.6 | E187 | E187-R189 PolarHBondContact O-N 2.82Š| ||
| 190 | T | 34.8 | Very low | 43.3 | Very low | 113 Ų | 113 | 142.9 Ų | 142.9 | 69% | 0.693 | 77% | 0.765 | S | S | * | * | trans | -120.8 | 104.3 | -175.7 | 51 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 191 | L | 33.1 | Very low | 44.1 | Very low | 127 Ų | 127 | 138.3 Ų | 138.3 | 67% | 0.665 | 74% | 0.744 | S | S | * | * | 71.4 | 141.8 | 77.4 | -70 | 166.4 | 0 | 0 | 0 | 112.2 | |||||
| 192 | Q | 39.8 | Very low | 44.7 | Very low | 173 Ų | 173 | 141.4 Ų | 141.4 | 81% | 0.808 | 74% | 0.737 | S | S | * | * | trans | 78.1 | 52.2 | 164.6 | -58.1 | 163.3 | 0.3 | 0 | 0 | 119 | ||||
| 193 | E | 43.8 | Very low | 45.9 | Very low | 196 Ų | 196 | 138.7 Ų | 138.7 | 92% | 0.916 | 72% | 0.724 | S | S | * | * | trans | -132 | 29.1 | 133.4 | -127.7 | 168.1 | -133.6 | 0 | 0 | 112.6 | K195 | E193-K195 PolarHBondContact O-N 3.41Š| ||
| 194 | E | 48.1 | Very low | 47.2 | Very low | 146 Ų | 146 | 137.1 Ų | 137.1 | 68% | 0.682 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.5 | 38 | -173.1 | -162.2 | 170.2 | -141.7 | 0 | 0 | 113.8 | T197 | E194-T197 VanDerWaalsContact C-CG2 3.44Å; E194-T197 HydrophobicContact CG-CG2 4.38Å; E194-T197 WeakPolarHBondContact O-CG2 3.44Å; E194-T197 PolarHBondContact O-OG1 3.3Å |
| 195 | K | 44.5 | Very low | 48.3 | Very low | 189 Ų | 189 | 136.1 Ų | 136.1 | 82% | 0.822 | 69% | 0.693 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | -7.6 | -174.4 | -145.5 | 177.4 | 177 | -178.2 | 0 | 118.6 | E193 T197 | E193-K195 PolarHBondContact O-N 3.41Å; K195-T197 WeakPolarHBondContact CA-OG1 3.41Å; K195-T197 PolarHBondContact O-N 2.83Å |
| 196 | L | 48.4 | Very low | 49.6 | Very low | 172 Ų | 172 | 135.7 Ų | 135.7 | 90% | 0.901 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -92.2 | 26.8 | 156.9 | -139.5 | 70.3 | 0 | 0 | 0 | 112.2 | ||
| 197 | T | 57.3 | Low | 51.2 | Low | 72 Ų | 72 | 135.5 Ų | 135.5 | 44% | 0.442 | 66% | 0.661 | S | S | . | * | trans | -62.1 | -168.5 | 164 | 46.5 | 0 | 0 | 0 | 0 | 112.6 | E194 K195 Y199 | E194-T197 VanDerWaalsContact C-CG2 3.44Å; E194-T197 HydrophobicContact CG-CG2 4.38Å; E194-T197 WeakPolarHBondContact O-CG2 3.44Å; E194-T197 PolarHBondContact O-OG1 3.3Å; K195-T197 WeakPolarHBondContact CA-OG1 3.41Å; K195-T197 PolarHBondContact O-N 2.83Å; T197-Y199 VanDerWaalsContact C-N 3.27Å; T197-Y199 PolarHBondContact O-N 3.5Å | ||
| 198 | A | 56.8 | Low | 53.1 | Low | 65 Ų | 65 | 131 Ų | 131 | 54% | 0.537 | 64% | 0.639 | S | S | . | * | S | Bend | trans | 71.5 | -30.8 | 161.4 | 0 | 0 | 0 | 0 | 0 | 118.5 | S201 Y202 | A198-S201 WeakPolarHBondContact CA-OG 3.39Å; A198-S201 PolarHBondContact N-OG 2.87Å; A198-S201 PolarHBondContact O-OG 3.36Å; A198-Y202 WeakPolarHBondContact O-CD2 3.44Å |
| 199 | Y | 52.4 | Low | 54 | Low | 196 Ų | 196 | 127.2 Ų | 127.2 | 77% | 0.769 | 62% | 0.62 | S | S | * | * | S | Bend | trans | -97.1 | -54.9 | 172.2 | -166.2 | -105.2 | 0 | 0 | 0 | 112.1 | T197 S201 | T197-Y199 VanDerWaalsContact C-N 3.27Å; T197-Y199 PolarHBondContact O-N 3.5Å; Y199-S201 PolarHBondContact O-N 3.19Å |
| 200 | N | 59 | Low | 55.6 | Low | 109 Ų | 109 | 123 Ų | 123 | 58% | 0.583 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -65 | -21 | 174.4 | -76.4 | -18.3 | 0 | 0 | 0 | 112.6 | Q203 L204 | N200-Q203 PolarHBondContact O-N 3.49Å; N200-L204 VanDerWaalsContact O-CB 3.31Å; N200-L204 WeakPolarHBondContact O-CB 3.14Å; N200-L204 PolarHBondContact O-N 3.28Å |
| 201 | S | 58.7 | Low | 57.5 | Low | 45 Ų | 45 | 124 Ų | 124 | 32% | 0.315 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -64.7 | -43.9 | -178.2 | 55.3 | 0 | 0 | 0 | 0 | 112.8 | A198 Y199 L204 E205 | A198-S201 WeakPolarHBondContact CA-OG 3.39Å; A198-S201 PolarHBondContact N-OG 2.87Å; A198-S201 PolarHBondContact O-OG 3.36Å; Y199-S201 PolarHBondContact O-N 3.19Å; S201-L204 CarbonylContact O-C 3.6Å; S201-L204 PolarHBondContact O-N 3.28Å; S201-E205 WeakPolarHBondContact O-CB 3.45Å; S201-E205 WeakPolarHBondContact O-CG 3.42Å; S201-E205 PolarHBondContact O-N 3.36Å |
| 202 | Y | 53.2 | Low | 59.5 | Low | 156 Ų | 156 | 122 Ų | 122 | 61% | 0.612 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -71.6 | -34.6 | 179.3 | -67.8 | -59.5 | 0 | 0 | 0 | 112.8 | A198 L204 E205 I206 | A198-Y202 WeakPolarHBondContact O-CD2 3.44Å; Y202-L204 VanDerWaalsContact C-N 3.34Å; Y202-E205 WeakPolarHBondContact CD1-OE2 3.32Å; Y202-E205 PolarHBondContact O-N 3.38Å; Y202-I206 WeakPolarHBondContact O-CG1 3.33Å; Y202-I206 PolarHBondContact O-N 2.81Å |
| 203 | Q | 59.9 | Low | 61.2 | Low | 127 Ų | 127 | 119.2 Ų | 119.2 | 59% | 0.593 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -72.7 | -29.7 | 175.7 | -144.9 | 74.1 | 1.1 | 0 | 0 | 111.9 | N200 N207 | N200-Q203 PolarHBondContact O-N 3.49Å; Q203-N207 PolarHBondContact O-ND2 3.46Å |
| 204 | L | 62.8 | Low | 62.8 | Low | 108 Ų | 108 | 114.3 Ų | 114.3 | 57% | 0.565 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -71.9 | -50 | 166.5 | -92.3 | 158.7 | 0 | 0 | 0 | 111 | N200 S201 Y202 I206 N207 Q208 | N200-L204 VanDerWaalsContact O-CB 3.31Å; N200-L204 WeakPolarHBondContact O-CB 3.14Å; N200-L204 PolarHBondContact O-N 3.28Å; S201-L204 CarbonylContact O-C 3.6Å; S201-L204 PolarHBondContact O-N 3.28Å; Y202-L204 VanDerWaalsContact C-N 3.34Å; L204-I206 VanDerWaalsContact C-N 3.31Å; L204-I206 PolarHBondContact O-N 3.12Å; L204-N207 CarbonylContact O-C 3.59Å; L204-N207 WeakPolarHBondContact O-CA 3.49Å; L204-N207 PolarHBondContact O-N 3.44Å; L204-Q208 WeakPolarHBondContact O-CA 3.22Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 PolarHBondContact O-N 3.36Å |
| 205 | E | 65.7 | Low | 64.2 | Low | 97 Ų | 97 | 112 Ų | 112 | 45% | 0.453 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -53.7 | -43 | 179.1 | -81.5 | 179.7 | 137.6 | 0 | 0 | 112.4 | S201 Y202 N207 Q208 I209 | S201-E205 WeakPolarHBondContact O-CB 3.45Å; S201-E205 WeakPolarHBondContact O-CG 3.42Å; S201-E205 PolarHBondContact O-N 3.36Å; Y202-E205 WeakPolarHBondContact CD1-OE2 3.32Å; Y202-E205 PolarHBondContact O-N 3.38Å; E205-N207 VanDerWaalsContact C-N 3.28Å; E205-N207 PolarHBondContact O-N 2.94Å; E205-Q208 PolarHBondContact O-N 3.33Å; E205-I209 HydrophobicContact CB-CD1 4.46Å; E205-I209 WeakPolarHBondContact O-CB 3.13Å; E205-I209 WeakPolarHBondContact O-CG1 3.35Å; E205-I209 PolarHBondContact O-N 3.43Å |
| 206 | I | 66.7 | Low | 65.7 | Low | 95 Ų | 95 | 108.5 Ų | 108.5 | 49% | 0.487 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.5 | -32.6 | 176.6 | -70.4 | 172.1 | 0 | 0 | 0 | 112.3 | Y202 L204 K210 | Y202-I206 WeakPolarHBondContact O-CG1 3.33Å; Y202-I206 PolarHBondContact O-N 2.81Å; L204-I206 VanDerWaalsContact C-N 3.31Å; L204-I206 PolarHBondContact O-N 3.12Å; I206-K210 WeakPolarHBondContact O-CB 3.28Å; I206-K210 WeakPolarHBondContact O-CD 3.33Å; I206-K210 WeakPolarHBondContact O-CG 3.47Å; I206-K210 PolarHBondContact O-N 3.49Å |
| 207 | N | 70.9 | Confident | 67.2 | Low | 91 Ų | 91 | 104.3 Ų | 104.3 | 49% | 0.487 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -86.9 | -28.8 | 177.4 | -72.1 | -51.3 | 0 | 0 | 0 | 113 | Q203 L204 E205 K210 K211 | Q203-N207 PolarHBondContact O-ND2 3.46Å; L204-N207 CarbonylContact O-C 3.59Å; L204-N207 WeakPolarHBondContact O-CA 3.49Å; L204-N207 PolarHBondContact O-N 3.44Å; E205-N207 VanDerWaalsContact C-N 3.28Å; E205-N207 PolarHBondContact O-N 2.94Å; N207-K210 PolarHBondContact O-N 3.22Å; N207-K211 VanDerWaalsContact O-CB 3.28Å; N207-K211 WeakPolarHBondContact O-CB 3.35Å; N207-K211 PolarHBondContact O-N 2.97Å |
| 208 | Q | 72.5 | Confident | 68.2 | Low | 82 Ų | 82 | 105.5 Ų | 105.5 | 38% | 0.383 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.1 | -48 | 177 | -175 | 70 | 17.2 | 0 | 0 | 108.9 | L204 E205 K210 K211 E212 | L204-Q208 WeakPolarHBondContact O-CA 3.22Å; L204-Q208 WeakPolarHBondContact O-CB 3.28Å; L204-Q208 PolarHBondContact O-N 3.36Å; E205-Q208 PolarHBondContact O-N 3.33Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 PolarHBondContact O-N 2.97Å; Q208-K211 CarbonylContact O-C 3.45Å; Q208-K211 WeakPolarHBondContact O-CA 3.46Å; Q208-K211 WeakPolarHBondContact O-CB 3.47Å; Q208-K211 PolarHBondContact O-N 3.11Å; Q208-E212 VanDerWaalsContact CG-OE1 3.32Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 3.1Å; Q208-E212 VanDerWaalsContact O-CB 3.28Å; Q208-E212 WeakPolarHBondContact O-CB 3.3Å; Q208-E212 WeakPolarHBondContact O-CG 3.15Å; Q208-E212 PolarHBondContact O-N 2.81Å |
| 209 | I | 67.8 | Low | 69.4 | Low | 99 Ų | 99 | 106 Ų | 106 | 51% | 0.508 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -35.3 | 169.9 | -66.4 | 166.9 | 0 | 0 | 0 | 110.8 | E205 L213 | E205-I209 HydrophobicContact CB-CD1 4.46Å; E205-I209 WeakPolarHBondContact O-CB 3.13Å; E205-I209 WeakPolarHBondContact O-CG1 3.35Å; E205-I209 PolarHBondContact O-N 3.43Å; I209-L213 WeakPolarHBondContact O-CA 3.27Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 PolarHBondContact O-N 3.15Å |
| 210 | K | 72.1 | Confident | 70.6 | Confident | 124 Ų | 124 | 100.3 Ų | 100.3 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.2 | -35.6 | 170.7 | -80.4 | 172.8 | -177 | 175.7 | 0 | 113 | I206 N207 Q208 N214 | I206-K210 WeakPolarHBondContact O-CB 3.28Å; I206-K210 WeakPolarHBondContact O-CD 3.33Å; I206-K210 WeakPolarHBondContact O-CG 3.47Å; I206-K210 PolarHBondContact O-N 3.49Å; N207-K210 PolarHBondContact O-N 3.22Å; Q208-K210 VanDerWaalsContact C-N 3.29Å; Q208-K210 PolarHBondContact O-N 2.97Å; K210-N214 VanDerWaalsContact O-CB 3.3Å; K210-N214 WeakPolarHBondContact O-CB 3.08Å; K210-N214 VanDerWaalsContact O-CG 3.3Å; K210-N214 PolarHBondContact O-N 2.61Å; K210-N214 PolarHBondContact O-ND2 3Å |
| 211 | K | 74.1 | Confident | 71.6 | Confident | 135 Ų | 135 | 97.6 Ų | 97.6 | 59% | 0.587 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -72.3 | -44.5 | 177.5 | -166.3 | 178.4 | -177.6 | -173.5 | 0 | 111 | N207 Q208 N214 Q215 | N207-K211 VanDerWaalsContact O-CB 3.28Å; N207-K211 WeakPolarHBondContact O-CB 3.35Å; N207-K211 PolarHBondContact O-N 2.97Å; Q208-K211 CarbonylContact O-C 3.45Å; Q208-K211 WeakPolarHBondContact O-CA 3.46Å; Q208-K211 WeakPolarHBondContact O-CB 3.47Å; Q208-K211 PolarHBondContact O-N 3.11Å; K211-N214 CarbonylContact O-C 3.51Å; K211-N214 PolarHBondContact O-N 3.13Å; K211-Q215 WeakPolarHBondContact O-CB 3.41Å; K211-Q215 PolarHBondContact O-N 3.35Å |
| 212 | E | 75.4 | Confident | 72.7 | Confident | 85 Ų | 85 | 100.2 Ų | 100.2 | 40% | 0.397 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.8 | -34.9 | 174.8 | -72.2 | 168.5 | -175.6 | 0 | 0 | 111.9 | Q208 Q215 L216 | Q208-E212 VanDerWaalsContact CG-OE1 3.32Å; Q208-E212 WeakPolarHBondContact CG-OE1 3.41Å; Q208-E212 PolarHBondContact NE2-OE1 3.1Å; Q208-E212 VanDerWaalsContact O-CB 3.28Å; Q208-E212 WeakPolarHBondContact O-CB 3.3Å; Q208-E212 WeakPolarHBondContact O-CG 3.15Å; Q208-E212 PolarHBondContact O-N 2.81Å; E212-Q215 PolarHBondContact O-N 2.92Å; E212-L216 VanDerWaalsContact O-CB 3.29Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 VanDerWaalsContact O-CD1 3.27Å; E212-L216 WeakPolarHBondContact O-CD1 3.1Å; E212-L216 PolarHBondContact O-N 2.77Å |
| 213 | L | 75.3 | Confident | 74 | Confident | 114 Ų | 114 | 100.2 Ų | 100.2 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -72.1 | -37.2 | 172 | -174.2 | 150.1 | 0 | 0 | 0 | 111.3 | I209 Q215 N217 | I209-L213 WeakPolarHBondContact O-CA 3.27Å; I209-L213 WeakPolarHBondContact O-CB 3.49Å; I209-L213 PolarHBondContact O-N 3.15Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; L213-N217 WeakPolarHBondContact O-CB 3.46Å; L213-N217 PolarHBondContact O-N 2.73Å |
| 214 | N | 76.2 | Confident | 75 | Confident | 93 Ų | 93 | 99.8 Ų | 99.8 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.8 | -33.8 | 169.2 | -79.1 | -27 | 0 | 0 | 0 | 112.1 | K210 K211 N217 N218 | K210-N214 VanDerWaalsContact O-CB 3.3Å; K210-N214 WeakPolarHBondContact O-CB 3.08Å; K210-N214 VanDerWaalsContact O-CG 3.3Å; K210-N214 PolarHBondContact O-N 2.61Å; K210-N214 PolarHBondContact O-ND2 3Å; K211-N214 CarbonylContact O-C 3.51Å; K211-N214 PolarHBondContact O-N 3.13Å; N214-N217 PolarHBondContact O-N 2.78Å; N214-N218 VanDerWaalsContact O-CB 3.31Å; N214-N218 WeakPolarHBondContact O-CB 3.44Å; N214-N218 PolarHBondContact O-N 3.23Å; N214-N218 PolarHBondContact O-ND2 2.79Å; N214-N218 PolarHBondContact O-OD1 2.9Å |
| 215 | Q | 78.5 | Confident | 75.9 | Confident | 99 Ų | 99 | 100.3 Ų | 100.3 | 46% | 0.463 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -76.6 | -44.7 | -179.5 | -172.6 | 167.2 | -22.1 | 0 | 0 | 111.1 | K211 E212 L213 N217 N218 E219 | K211-Q215 WeakPolarHBondContact O-CB 3.41Å; K211-Q215 PolarHBondContact O-N 3.35Å; E212-Q215 PolarHBondContact O-N 2.92Å; L213-Q215 VanDerWaalsContact C-N 3.33Å; Q215-N217 VanDerWaalsContact C-N 3.31Å; Q215-N217 PolarHBondContact O-N 2.85Å; Q215-N218 PolarHBondContact O-N 2.76Å; Q215-E219 WeakPolarHBondContact CG-OE1 3.35Å; Q215-E219 VanDerWaalsContact O-CB 3.32Å; Q215-E219 WeakPolarHBondContact O-CB 3.34Å; Q215-E219 VanDerWaalsContact O-CG 3.26Å; Q215-E219 WeakPolarHBondContact O-CG 3.42Å; Q215-E219 PolarHBondContact O-N 3.28Å |
| 216 | L | 75.7 | Confident | 76.8 | Confident | 114 Ų | 114 | 99 Ų | 99 | 60% | 0.597 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -61.9 | -35.1 | 166.1 | -95.4 | 87.2 | 0 | 0 | 0 | 111.8 | E212 N220 | E212-L216 VanDerWaalsContact O-CB 3.29Å; E212-L216 WeakPolarHBondContact O-CB 3.44Å; E212-L216 VanDerWaalsContact O-CD1 3.27Å; E212-L216 WeakPolarHBondContact O-CD1 3.1Å; E212-L216 PolarHBondContact O-N 2.77Å; L216-N220 WeakPolarHBondContact O-CA 3.21Å; L216-N220 WeakPolarHBondContact O-CB 3.29Å; L216-N220 PolarHBondContact O-N 3.17Å |
| 217 | N | 79.7 | Confident | 77.4 | Confident | 84 Ų | 84 | 99 Ų | 99 | 45% | 0.449 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.7 | -41 | 175.9 | -171.8 | 46.9 | 0 | 0 | 0 | 110.9 | L213 N214 Q215 N220 T221 | L213-N217 WeakPolarHBondContact O-CB 3.46Å; L213-N217 PolarHBondContact O-N 2.73Å; N214-N217 PolarHBondContact O-N 2.78Å; Q215-N217 VanDerWaalsContact C-N 3.31Å; Q215-N217 PolarHBondContact O-N 2.85Å; N217-N220 CarbonylContact O-C 3.56Å; N217-N220 PolarHBondContact O-N 3.4Å; N217-T221 WeakPolarHBondContact O-CG2 3.4Å; N217-T221 PolarHBondContact O-N 2.75Å; N217-T221 PolarHBondContact O-OG1 3.31Å |
| 218 | N | 79.4 | Confident | 78 | Confident | 97 Ų | 97 | 97.9 Ų | 97.9 | 52% | 0.519 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -62.1 | -50.4 | 172.5 | -72.4 | -10.4 | 0 | 0 | 0 | 110.8 | N214 Q215 N220 T221 E222 | N214-N218 VanDerWaalsContact O-CB 3.31Å; N214-N218 WeakPolarHBondContact O-CB 3.44Å; N214-N218 PolarHBondContact O-N 3.23Å; N214-N218 PolarHBondContact O-ND2 2.79Å; N214-N218 PolarHBondContact O-OD1 2.9Å; Q215-N218 PolarHBondContact O-N 2.76Å; N218-N220 VanDerWaalsContact C-N 3.3Å; N218-N220 PolarHBondContact O-N 2.91Å; N218-T221 WeakPolarHBondContact CA-OG1 3.39Å; N218-T221 CarbonylContact O-C 3.59Å; N218-T221 WeakPolarHBondContact O-CA 3.49Å; N218-T221 PolarHBondContact O-N 2.86Å; N218-T221 PolarHBondContact O-OG1 3.29Å; N218-E222 PolarHBondContact O-N 3.29Å |
| 219 | E | 81.2 | Confident | 78.6 | Confident | 75 Ų | 75 | 101.5 Ų | 101.5 | 35% | 0.35 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -58.3 | -39.5 | 174 | -73.1 | 168.9 | -158.3 | 0 | 0 | 111.5 | Q215 T221 E222 Y223 | Q215-E219 WeakPolarHBondContact CG-OE1 3.35Å; Q215-E219 VanDerWaalsContact O-CB 3.32Å; Q215-E219 WeakPolarHBondContact O-CB 3.34Å; Q215-E219 VanDerWaalsContact O-CG 3.26Å; Q215-E219 WeakPolarHBondContact O-CG 3.42Å; Q215-E219 PolarHBondContact O-N 3.28Å; E219-T221 VanDerWaalsContact C-N 3.34Å; E219-T221 PolarHBondContact O-N 3.32Å; E219-E222 CarbonylContact O-C 3.59Å; E219-E222 PolarHBondContact O-N 2.79Å; E219-Y223 HydrophobicContact CB-CD2 4.28Å; E219-Y223 HydrophobicContact CB-CE2 4.05Å; E219-Y223 WeakPolarHBondContact O-CB 3.37Å; E219-Y223 WeakPolarHBondContact O-CD2 3.46Å; E219-Y223 VanDerWaalsContact O-CG 3.3Å; E219-Y223 PolarHBondContact O-N 3.08Å |
| 220 | N | 77.6 | Confident | 79.1 | Confident | 77 Ų | 77 | 101.2 Ų | 101.2 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.4 | -30.9 | 175 | -165.6 | -54.5 | 0 | 0 | 0 | 111.5 | L216 N217 N218 K224 | L216-N220 WeakPolarHBondContact O-CA 3.21Å; L216-N220 WeakPolarHBondContact O-CB 3.29Å; L216-N220 PolarHBondContact O-N 3.17Å; N217-N220 CarbonylContact O-C 3.56Å; N217-N220 PolarHBondContact O-N 3.4Å; N218-N220 VanDerWaalsContact C-N 3.3Å; N218-N220 PolarHBondContact O-N 2.91Å; N220-K224 VanDerWaalsContact O-CB 3.25Å; N220-K224 WeakPolarHBondContact O-CB 3.27Å; N220-K224 WeakPolarHBondContact O-CD 3.49Å; N220-K224 WeakPolarHBondContact O-CG 3.45Å; N220-K224 PolarHBondContact O-N 2.89Å; N220-K224 WeakPolarHBondContact OD1-CE 3.49Å; N220-K224 PolarHBondContact OD1-NZ 3.36Å |
| 221 | T | 80.1 | Confident | 79.6 | Confident | 52 Ų | 52 | 100.9 Ų | 100.9 | 32% | 0.319 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72.5 | -36.4 | 168.2 | 59.6 | 0 | 0 | 0 | 0 | 113.1 | N217 N218 E219 K224 K225 | N217-T221 WeakPolarHBondContact O-CG2 3.4Å; N217-T221 PolarHBondContact O-N 2.75Å; N217-T221 PolarHBondContact O-OG1 3.31Å; N218-T221 WeakPolarHBondContact CA-OG1 3.39Å; N218-T221 CarbonylContact O-C 3.59Å; N218-T221 WeakPolarHBondContact O-CA 3.49Å; N218-T221 PolarHBondContact O-N 2.86Å; N218-T221 PolarHBondContact O-OG1 3.29Å; E219-T221 VanDerWaalsContact C-N 3.34Å; E219-T221 PolarHBondContact O-N 3.32Å; T221-K224 PolarHBondContact O-N 2.81Å; T221-K225 WeakPolarHBondContact O-CB 3.41Å; T221-K225 VanDerWaalsContact O-CG 3.27Å; T221-K225 WeakPolarHBondContact O-CG 3.28Å; T221-K225 PolarHBondContact O-N 3.49Å |
| 222 | E | 82.5 | Confident | 79.9 | Confident | 100 Ų | 100 | 97.2 Ų | 97.2 | 47% | 0.467 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -70.4 | -41.7 | 173.7 | -65.4 | -48 | 133 | 0 | 0 | 111.6 | N218 E219 K224 K225 E226 | N218-E222 PolarHBondContact O-N 3.29Å; E219-E222 CarbonylContact O-C 3.59Å; E219-E222 PolarHBondContact O-N 2.79Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.48Å; E222-K225 CarbonylContact O-C 3.5Å; E222-K225 WeakPolarHBondContact O-CB 3.5Å; E222-K225 PolarHBondContact O-N 3.48Å; E222-K225 IonicContact OE1-NZ 2.96Å; E222-K225 PolarHBondContact OE1-NZ 2.85Å; E222-K225 VanDerWaalsContact OE2-CD 3.29Å; E222-K225 WeakPolarHBondContact OE2-CD 3.36Å; E222-K225 IonicContact OE2-NZ 3.9Å; E222-E226 WeakPolarHBondContact O-CB 3.28Å; E222-E226 PolarHBondContact O-N 3.13Å |
| 223 | Y | 80.2 | Confident | 80.3 | Confident | 157 Ų | 157 | 96.9 Ų | 96.9 | 62% | 0.616 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.8 | -34.5 | 170.3 | -68.9 | -52.2 | 0 | 0 | 0 | 111.5 | E219 I227 | E219-Y223 HydrophobicContact CB-CD2 4.28Å; E219-Y223 HydrophobicContact CB-CE2 4.05Å; E219-Y223 WeakPolarHBondContact O-CB 3.37Å; E219-Y223 WeakPolarHBondContact O-CD2 3.46Å; E219-Y223 VanDerWaalsContact O-CG 3.3Å; E219-Y223 PolarHBondContact O-N 3.08Å; Y223-I227 WeakPolarHBondContact O-CB 3.3Å; Y223-I227 WeakPolarHBondContact O-CD1 3.47Å; Y223-I227 WeakPolarHBondContact O-CG1 3.47Å; Y223-I227 PolarHBondContact O-N 2.92Å |
| 224 | K | 80.8 | Confident | 80.5 | Confident | 118 Ų | 118 | 94.7 Ų | 94.7 | 51% | 0.513 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.1 | -38.9 | 171.1 | -81.3 | 165.3 | 177.2 | 150.9 | 0 | 112.6 | N220 T221 E222 S228 | N220-K224 VanDerWaalsContact O-CB 3.25Å; N220-K224 WeakPolarHBondContact O-CB 3.27Å; N220-K224 WeakPolarHBondContact O-CD 3.49Å; N220-K224 WeakPolarHBondContact O-CG 3.45Å; N220-K224 PolarHBondContact O-N 2.89Å; N220-K224 WeakPolarHBondContact OD1-CE 3.49Å; N220-K224 PolarHBondContact OD1-NZ 3.36Å; T221-K224 PolarHBondContact O-N 2.81Å; E222-K224 VanDerWaalsContact C-N 3.31Å; E222-K224 PolarHBondContact O-N 3.48Å; K224-S228 VanDerWaalsContact O-CB 3.3Å; K224-S228 WeakPolarHBondContact O-CB 3.48Å; K224-S228 PolarHBondContact O-N 3.14Å; K224-S228 PolarHBondContact O-OG 3.37Å |
| 225 | K | 81.7 | Confident | 80.9 | Confident | 119 Ų | 119 | 94.1 Ų | 94.1 | 52% | 0.517 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -63.3 | -45.6 | 172.7 | -75.4 | 165.4 | -179.4 | 176.4 | 0 | 110.8 | T221 E222 S228 R229 | T221-K225 WeakPolarHBondContact O-CB 3.41Å; T221-K225 VanDerWaalsContact O-CG 3.27Å; T221-K225 WeakPolarHBondContact O-CG 3.28Å; T221-K225 PolarHBondContact O-N 3.49Å; E222-K225 CarbonylContact O-C 3.5Å; E222-K225 WeakPolarHBondContact O-CB 3.5Å; E222-K225 PolarHBondContact O-N 3.48Å; E222-K225 IonicContact OE1-NZ 2.96Å; E222-K225 PolarHBondContact OE1-NZ 2.85Å; E222-K225 VanDerWaalsContact OE2-CD 3.29Å; E222-K225 WeakPolarHBondContact OE2-CD 3.36Å; E222-K225 IonicContact OE2-NZ 3.9Å; K225-S228 CarbonylContact O-C 3.56Å; K225-S228 WeakPolarHBondContact O-CB 3.49Å; K225-S228 PolarHBondContact O-N 3.36Å; K225-R229 WeakPolarHBondContact O-CB 3.31Å; K225-R229 PolarHBondContact O-N 2.87Å |
| 226 | E | 84.1 | Confident | 81.2 | Confident | 69 Ų | 69 | 94.6 Ų | 94.6 | 32% | 0.322 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.8 | -36.5 | -179.5 | -170.3 | 60.1 | -167.9 | 0 | 0 | 111.9 | E222 S228 R229 L230 | E222-E226 WeakPolarHBondContact O-CB 3.28Å; E222-E226 PolarHBondContact O-N 3.13Å; E226-S228 VanDerWaalsContact C-N 3.3Å; E226-S228 PolarHBondContact O-N 3.36Å; E226-R229 PolarHBondContact O-N 3.48Å; E226-R229 IonicContact OE1-CZ 3.3Å; E226-R229 IonicContact OE1-NE 2.63Å; E226-R229 PolarHBondContact OE1-NE 2.85Å; E226-R229 IonicContact OE1-NH2 2.93Å; E226-R229 PolarHBondContact OE1-NH2 3.27Å; E226-R229 IonicContact OE2-CZ 2.77Å; E226-R229 IonicContact OE2-NE 3.64Å; E226-R229 PolarHBondContact OE2-NE 3.45Å; E226-R229 IonicContact OE2-NH2 3.93Å; E226-R229 PolarHBondContact OE2-NH2 3.37Å; E226-L230 HydrophobicContact CG-CD1 4Å; E226-L230 HydrophobicContact CG-CG 4.28Å; E226-L230 WeakPolarHBondContact O-CB 3.36Å; E226-L230 WeakPolarHBondContact O-CG 3.32Å; E226-L230 PolarHBondContact O-N 2.75Å |
| 227 | I | 79.4 | Confident | 81.4 | Confident | 94 Ų | 94 | 93.1 Ų | 93.1 | 48% | 0.482 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -60.6 | -41.8 | 167.2 | -73.6 | 164.7 | 0 | 0 | 0 | 110.1 | Y223 Q231 | Y223-I227 WeakPolarHBondContact O-CB 3.3Å; Y223-I227 WeakPolarHBondContact O-CD1 3.47Å; Y223-I227 WeakPolarHBondContact O-CG1 3.47Å; Y223-I227 PolarHBondContact O-N 2.92Å; I227-Q231 HydrophobicContact CG2-CG 4.35Å; I227-Q231 WeakPolarHBondContact O-CB 3.28Å; I227-Q231 WeakPolarHBondContact O-CG 3.34Å; I227-Q231 PolarHBondContact O-N 3.39Å |
| 228 | S | 83.1 | Confident | 81.5 | Confident | 68 Ų | 68 | 94.4 Ų | 94.4 | 48% | 0.476 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.6 | -37.4 | 175.9 | -56.2 | 0 | 0 | 0 | 0 | 112.1 | K224 K225 E226 Q231 A232 | K224-S228 VanDerWaalsContact O-CB 3.3Å; K224-S228 WeakPolarHBondContact O-CB 3.48Å; K224-S228 PolarHBondContact O-N 3.14Å; K224-S228 PolarHBondContact O-OG 3.37Å; K225-S228 CarbonylContact O-C 3.56Å; K225-S228 WeakPolarHBondContact O-CB 3.49Å; K225-S228 PolarHBondContact O-N 3.36Å; E226-S228 VanDerWaalsContact C-N 3.3Å; E226-S228 PolarHBondContact O-N 3.36Å; S228-Q231 PolarHBondContact O-N 3.26Å; S228-A232 VanDerWaalsContact O-CB 3.26Å; S228-A232 WeakPolarHBondContact O-CB 3.36Å; S228-A232 PolarHBondContact O-N 3.04Å |
| 229 | R | 85.1 | Confident | 81.6 | Confident | 159 Ų | 159 | 94.6 Ų | 94.6 | 60% | 0.6 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -71.5 | -39.2 | 177.7 | -162.4 | -179.9 | 75.2 | 98.2 | 4.7 | 111.7 | K225 E226 K233 | K225-R229 WeakPolarHBondContact O-CB 3.31Å; K225-R229 PolarHBondContact O-N 2.87Å; E226-R229 PolarHBondContact O-N 3.48Å; E226-R229 IonicContact OE1-CZ 3.3Å; E226-R229 IonicContact OE1-NE 2.63Å; E226-R229 PolarHBondContact OE1-NE 2.85Å; E226-R229 IonicContact OE1-NH2 2.93Å; E226-R229 PolarHBondContact OE1-NH2 3.27Å; E226-R229 IonicContact OE2-CZ 2.77Å; E226-R229 IonicContact OE2-NE 3.64Å; E226-R229 PolarHBondContact OE2-NE 3.45Å; E226-R229 IonicContact OE2-NH2 3.93Å; E226-R229 PolarHBondContact OE2-NH2 3.37Å; R229-K233 WeakPolarHBondContact O-CB 3.37Å; R229-K233 PolarHBondContact O-N 3.31Å |
| 230 | L | 79.8 | Confident | 81.8 | Confident | 93 Ų | 93 | 94.7 Ų | 94.7 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -72.3 | -34.5 | 173.5 | -69.9 | 171.4 | 0 | 0 | 0 | 111.6 | E226 T234 | E226-L230 HydrophobicContact CG-CD1 4Å; E226-L230 HydrophobicContact CG-CG 4.28Å; E226-L230 WeakPolarHBondContact O-CB 3.36Å; E226-L230 WeakPolarHBondContact O-CG 3.32Å; E226-L230 PolarHBondContact O-N 2.75Å; L230-T234 WeakPolarHBondContact O-CA 3.45Å; L230-T234 WeakPolarHBondContact O-CB 3.27Å; L230-T234 PolarHBondContact O-N 2.94Å; L230-T234 PolarHBondContact O-OG1 3.43Å |
| 231 | Q | 81.5 | Confident | 81.9 | Confident | 116 Ų | 116 | 94.6 Ų | 94.6 | 54% | 0.542 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.5 | -43.9 | 170.6 | -79.8 | 177.7 | -22.9 | 0 | 0 | 111.3 | I227 S228 T234 N235 | I227-Q231 HydrophobicContact CG2-CG 4.35Å; I227-Q231 WeakPolarHBondContact O-CB 3.28Å; I227-Q231 WeakPolarHBondContact O-CG 3.34Å; I227-Q231 PolarHBondContact O-N 3.39Å; S228-Q231 PolarHBondContact O-N 3.26Å; Q231-T234 PolarHBondContact O-N 2.94Å; Q231-N235 VanDerWaalsContact O-CG 3.3Å; Q231-N235 PolarHBondContact O-N 3.46Å |
| 232 | A | 80.9 | Confident | 82.1 | Confident | 58 Ų | 58 | 96.1 Ų | 96.1 | 48% | 0.479 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -57.6 | -53 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.7 | S228 T234 N235 E236 | S228-A232 VanDerWaalsContact O-CB 3.26Å; S228-A232 WeakPolarHBondContact O-CB 3.36Å; S228-A232 PolarHBondContact O-N 3.04Å; A232-T234 VanDerWaalsContact C-N 3.32Å; A232-T234 PolarHBondContact O-N 3.25Å; A232-N235 PolarHBondContact O-N 2.98Å; A232-N235 VanDerWaalsContact O-N 3.08Å; A232-E236 WeakPolarHBondContact O-CB 3.47Å; A232-E236 PolarHBondContact O-N 3.16Å |
| 233 | K | 84.3 | Confident | 82.1 | Confident | 79 Ų | 79 | 97.1 Ų | 97.1 | 34% | 0.343 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.7 | -28.6 | 178.5 | -169.7 | 51.9 | 178.7 | 167.5 | 0 | 113.2 | R229 N235 E236 L237 E240 | R229-K233 WeakPolarHBondContact O-CB 3.37Å; R229-K233 PolarHBondContact O-N 3.31Å; K233-N235 VanDerWaalsContact C-N 3.33Å; K233-E236 HydrophobicContact CD-CB 4.05Å; K233-E236 WeakPolarHBondContact CD-OE2 3.5Å; K233-E236 WeakPolarHBondContact CE-OE2 3.43Å; K233-E236 IonicContact NZ-OE2 3.41Å; K233-E236 PolarHBondContact NZ-OE2 3.39Å; K233-L237 HydrophobicContact CD-CD1 4.43Å; K233-L237 HydrophobicContact CD-CG 4.15Å; K233-L237 HydrophobicContact CG-CD1 4.03Å; K233-L237 HydrophobicContact CG-CG 4.28Å; K233-L237 VanDerWaalsContact O-CB 3.23Å; K233-L237 WeakPolarHBondContact O-CB 3.24Å; K233-L237 WeakPolarHBondContact O-CD1 3.45Å; K233-L237 WeakPolarHBondContact O-CG 3.13Å; K233-L237 PolarHBondContact O-N 2.96Å; K233-E240 IonicContact NZ-OE1 2.68Å; K233-E240 PolarHBondContact NZ-OE1 3.06Å |
| 234 | T | 79.4 | Confident | 82 | Confident | 68 Ų | 68 | 93.2 Ų | 93.2 | 42% | 0.417 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.4 | -33 | 171.9 | -65.1 | 0 | 0 | 0 | 0 | 111.6 | L230 Q231 A232 K238 | L230-T234 WeakPolarHBondContact O-CA 3.45Å; L230-T234 WeakPolarHBondContact O-CB 3.27Å; L230-T234 PolarHBondContact O-N 2.94Å; L230-T234 PolarHBondContact O-OG1 3.43Å; Q231-T234 PolarHBondContact O-N 2.94Å; A232-T234 VanDerWaalsContact C-N 3.32Å; A232-T234 PolarHBondContact O-N 3.25Å; T234-K238 WeakPolarHBondContact O-CD 3.31Å; T234-K238 WeakPolarHBondContact O-CG 3.36Å; T234-K238 PolarHBondContact O-N 3.38Å; T234-K238 VanDerWaalsContact O-N 3.11Å |
| 235 | N | 83.2 | Confident | 82.2 | Confident | 80 Ų | 80 | 95.9 Ų | 95.9 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -77.3 | -44.4 | 174.3 | -67.6 | -15.1 | 0 | 0 | 0 | 110.8 | Q231 A232 K233 L237 K238 D239 | Q231-N235 VanDerWaalsContact O-CG 3.3Å; Q231-N235 PolarHBondContact O-N 3.46Å; A232-N235 PolarHBondContact O-N 2.98Å; A232-N235 VanDerWaalsContact O-N 3.08Å; K233-N235 VanDerWaalsContact C-N 3.33Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 2.95Å; N235-K238 CarbonylContact O-C 3.6Å; N235-K238 WeakPolarHBondContact O-CA 3.44Å; N235-K238 WeakPolarHBondContact O-CB 3.44Å; N235-K238 PolarHBondContact O-N 2.82Å; N235-K238 PolarHBondContact OD1-NZ 3.28Å; N235-D239 PolarHBondContact O-N 3.23Å |
| 236 | E | 84.5 | Confident | 82.2 | Confident | 110 Ų | 110 | 94.7 Ų | 94.7 | 51% | 0.514 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -53.6 | -47.3 | 171.8 | -144.3 | 177.1 | -119.9 | 0 | 0 | 110.9 | A232 K233 K238 D239 E240 | A232-E236 WeakPolarHBondContact O-CB 3.47Å; A232-E236 PolarHBondContact O-N 3.16Å; K233-E236 HydrophobicContact CD-CB 4.05Å; K233-E236 WeakPolarHBondContact CD-OE2 3.5Å; K233-E236 WeakPolarHBondContact CE-OE2 3.43Å; K233-E236 IonicContact NZ-OE2 3.41Å; K233-E236 PolarHBondContact NZ-OE2 3.39Å; E236-K238 PolarHBondContact O-N 2.69Å; E236-D239 PolarHBondContact O-N 3.11Å; E236-E240 WeakPolarHBondContact O-CB 3.5Å; E236-E240 VanDerWaalsContact O-CG 3.26Å; E236-E240 WeakPolarHBondContact O-CG 3.47Å; E236-E240 PolarHBondContact O-N 3.32Å |
| 237 | L | 80.6 | Confident | 82.1 | Confident | 83 Ų | 83 | 95.4 Ų | 95.4 | 44% | 0.435 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -28.4 | 175.3 | -72.9 | 168.2 | 0 | 0 | 0 | 113.7 | K233 N235 V241 | K233-L237 HydrophobicContact CD-CD1 4.43Å; K233-L237 HydrophobicContact CD-CG 4.15Å; K233-L237 HydrophobicContact CG-CD1 4.03Å; K233-L237 HydrophobicContact CG-CG 4.28Å; K233-L237 VanDerWaalsContact O-CB 3.23Å; K233-L237 WeakPolarHBondContact O-CB 3.24Å; K233-L237 WeakPolarHBondContact O-CD1 3.45Å; K233-L237 WeakPolarHBondContact O-CG 3.13Å; K233-L237 PolarHBondContact O-N 2.96Å; N235-L237 VanDerWaalsContact C-N 3.31Å; N235-L237 PolarHBondContact O-N 2.95Å; L237-V241 WeakPolarHBondContact O-CB 3.31Å; L237-V241 WeakPolarHBondContact O-CG2 3.43Å; L237-V241 PolarHBondContact O-N 2.66Å |
| 238 | K | 82.8 | Confident | 82 | Confident | 110 Ų | 110 | 96.4 Ų | 96.4 | 48% | 0.478 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -71.2 | -41.4 | 171.3 | -77.5 | 164.9 | -169.3 | 162.3 | 0 | 110.9 | T234 N235 E236 V241 I242 | T234-K238 WeakPolarHBondContact O-CD 3.31Å; T234-K238 WeakPolarHBondContact O-CG 3.36Å; T234-K238 PolarHBondContact O-N 3.38Å; T234-K238 VanDerWaalsContact O-N 3.11Å; N235-K238 CarbonylContact O-C 3.6Å; N235-K238 WeakPolarHBondContact O-CA 3.44Å; N235-K238 WeakPolarHBondContact O-CB 3.44Å; N235-K238 PolarHBondContact O-N 2.82Å; N235-K238 PolarHBondContact OD1-NZ 3.28Å; E236-K238 PolarHBondContact O-N 2.69Å; K238-V241 CarbonylContact O-C 3.52Å; K238-V241 PolarHBondContact O-N 2.85Å; K238-I242 WeakPolarHBondContact O-CB 3.49Å; K238-I242 VanDerWaalsContact O-CG1 3.26Å; K238-I242 WeakPolarHBondContact O-CG1 3.47Å; K238-I242 PolarHBondContact O-N 3.49Å |
| 239 | D | 81.3 | Confident | 82.1 | Confident | 101 Ų | 101 | 98.3 Ų | 98.3 | 54% | 0.54 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70 | -39.8 | 179.6 | -64.1 | -26.5 | 0 | 0 | 0 | 110.3 | N235 E236 V241 I242 Q243 | N235-D239 PolarHBondContact O-N 3.23Å; E236-D239 PolarHBondContact O-N 3.11Å; D239-V241 VanDerWaalsContact C-N 3.35Å; D239-V241 PolarHBondContact O-N 3.27Å; D239-I242 PolarHBondContact O-N 3Å; D239-Q243 VanDerWaalsContact O-CB 3.28Å; D239-Q243 WeakPolarHBondContact O-CB 3.47Å; D239-Q243 PolarHBondContact O-N 3.17Å |
| 240 | E | 83.9 | Confident | 82 | Confident | 78 Ų | 78 | 95.4 Ų | 95.4 | 36% | 0.364 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -56.1 | -44.8 | 166.3 | -73.2 | 171.2 | -128.8 | 0 | 0 | 111.4 | K233 E236 Q243 C244 | K233-E240 IonicContact NZ-OE1 2.68Å; K233-E240 PolarHBondContact NZ-OE1 3.06Å; E236-E240 WeakPolarHBondContact O-CB 3.5Å; E236-E240 VanDerWaalsContact O-CG 3.26Å; E236-E240 WeakPolarHBondContact O-CG 3.47Å; E236-E240 PolarHBondContact O-N 3.32Å; E240-Q243 PolarHBondContact O-N 2.9Å; E240-C244 VanDerWaalsContact O-CB 3.3Å; E240-C244 WeakPolarHBondContact O-CB 3.29Å; E240-C244 PolarHBondContact O-N 2.74Å; E240-C244 PolarHBondContact O-SG 2.84Å |
| 241 | V | 79.8 | Confident | 82 | Confident | 75 Ų | 75 | 97.8 Ų | 97.8 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.2 | -35.9 | 177.5 | 163.2 | 0 | 0 | 0 | 0 | 112.7 | L237 K238 D239 R245 | L237-V241 WeakPolarHBondContact O-CB 3.31Å; L237-V241 WeakPolarHBondContact O-CG2 3.43Å; L237-V241 PolarHBondContact O-N 2.66Å; K238-V241 CarbonylContact O-C 3.52Å; K238-V241 PolarHBondContact O-N 2.85Å; D239-V241 VanDerWaalsContact C-N 3.35Å; D239-V241 PolarHBondContact O-N 3.27Å; V241-R245 WeakPolarHBondContact O-CB 3.36Å; V241-R245 WeakPolarHBondContact O-CG 3.35Å; V241-R245 PolarHBondContact O-N 2.79Å |
| 242 | I | 84.4 | Confident | 82.1 | Confident | 84 Ų | 84 | 95 Ų | 95 | 43% | 0.431 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.8 | -44.7 | 174 | -71.4 | 163 | 0 | 0 | 0 | 109.7 | K238 D239 C244 R245 N246 | K238-I242 WeakPolarHBondContact O-CB 3.49Å; K238-I242 VanDerWaalsContact O-CG1 3.26Å; K238-I242 WeakPolarHBondContact O-CG1 3.47Å; K238-I242 PolarHBondContact O-N 3.49Å; D239-I242 PolarHBondContact O-N 3Å; I242-C244 PolarHBondContact O-N 3.45Å; I242-R245 PolarHBondContact O-N 2.86Å; I242-N246 WeakPolarHBondContact O-CB 3.36Å; I242-N246 VanDerWaalsContact O-CG 3.22Å; I242-N246 PolarHBondContact O-N 2.82Å |
| 243 | Q | 83.1 | Confident | 82.3 | Confident | 121 Ų | 121 | 96.2 Ų | 96.2 | 57% | 0.565 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.5 | -42.1 | 175.1 | -167.3 | -179.5 | 22.5 | 0 | 0 | 111.3 | D239 E240 N246 N247 | D239-Q243 VanDerWaalsContact O-CB 3.28Å; D239-Q243 WeakPolarHBondContact O-CB 3.47Å; D239-Q243 PolarHBondContact O-N 3.17Å; E240-Q243 PolarHBondContact O-N 2.9Å; Q243-N246 PolarHBondContact O-N 2.72Å; Q243-N247 VanDerWaalsContact O-CB 3.29Å; Q243-N247 WeakPolarHBondContact O-CB 3.18Å; Q243-N247 PolarHBondContact O-N 3.3Å; Q243-N247 PolarHBondContact O-ND2 3.4Å |
| 244 | C | 79.3 | Confident | 82.2 | Confident | 74 Ų | 74 | 95 Ų | 95 | 50% | 0.5 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 174.1 | -71.1 | 0 | 0 | 0 | 0 | 112.5 | E240 I242 L248 | E240-C244 VanDerWaalsContact O-CB 3.3Å; E240-C244 WeakPolarHBondContact O-CB 3.29Å; E240-C244 PolarHBondContact O-N 2.74Å; E240-C244 PolarHBondContact O-SG 2.84Å; I242-C244 PolarHBondContact O-N 3.45Å; C244-L248 WeakPolarHBondContact O-CB 3.45Å; C244-L248 PolarHBondContact O-N 3.1Å |
| 245 | R | 84.1 | Confident | 82.3 | Confident | 175 Ų | 175 | 96.7 Ų | 96.7 | 66% | 0.66 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.9 | -43.1 | 173 | -82.1 | 177.5 | 172.1 | 163.4 | -1.1 | 112.4 | V241 I242 L248 Q249 | V241-R245 WeakPolarHBondContact O-CB 3.36Å; V241-R245 WeakPolarHBondContact O-CG 3.35Å; V241-R245 PolarHBondContact O-N 2.79Å; I242-R245 PolarHBondContact O-N 2.86Å; R245-L248 PolarHBondContact O-N 3.04Å; R245-Q249 PolarHBondContact O-N 3.48Å |
| 246 | N | 81.6 | Confident | 82.3 | Confident | 93 Ų | 93 | 96.6 Ų | 96.6 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.7 | -42.4 | 177.1 | -68.3 | -11.6 | 0 | 0 | 0 | 110.8 | I242 Q243 Q249 I250 | I242-N246 WeakPolarHBondContact O-CB 3.36Å; I242-N246 VanDerWaalsContact O-CG 3.22Å; I242-N246 PolarHBondContact O-N 2.82Å; Q243-N246 PolarHBondContact O-N 2.72Å; N246-Q249 PolarHBondContact O-N 2.77Å; N246-I250 WeakPolarHBondContact O-CB 3.23Å; N246-I250 VanDerWaalsContact O-CG1 3.26Å; N246-I250 WeakPolarHBondContact O-CG1 3.19Å; N246-I250 PolarHBondContact O-N 2.85Å |
| 247 | N | 82.1 | Confident | 82.3 | Confident | 84 Ų | 84 | 97.1 Ų | 97.1 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.6 | -40.8 | 173 | -73.8 | -19.6 | 0 | 0 | 0 | 111.9 | Q243 K251 | Q243-N247 VanDerWaalsContact O-CB 3.29Å; Q243-N247 WeakPolarHBondContact O-CB 3.18Å; Q243-N247 PolarHBondContact O-N 3.3Å; Q243-N247 PolarHBondContact O-ND2 3.4Å; N247-K251 WeakPolarHBondContact O-CB 3.26Å; N247-K251 VanDerWaalsContact O-CG 3.24Å; N247-K251 WeakPolarHBondContact O-CG 3.31Å; N247-K251 PolarHBondContact O-N 3.19Å |
| 248 | L | 78.1 | Confident | 82.3 | Confident | 116 Ų | 116 | 98.3 Ų | 98.3 | 61% | 0.607 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62 | -47.1 | 172.5 | -95.4 | 165.1 | 0 | 0 | 0 | 111.6 | C244 R245 I250 K251 T252 | C244-L248 WeakPolarHBondContact O-CB 3.45Å; C244-L248 PolarHBondContact O-N 3.1Å; R245-L248 PolarHBondContact O-N 3.04Å; L248-I250 PolarHBondContact O-N 3.3Å; L248-K251 CarbonylContact O-C 3.51Å; L248-K251 WeakPolarHBondContact O-CA 3.43Å; L248-K251 PolarHBondContact O-N 2.88Å; L248-K251 VanDerWaalsContact O-N 3.09Å; L248-T252 PolarHBondContact O-N 3.42Å; L248-T252 PolarHBondContact O-OG1 3.31Å; L248-T252 VanDerWaalsContact O-OG1 3.09Å |
| 249 | Q | 83.5 | Confident | 82.4 | Confident | 108 Ų | 108 | 98.3 Ų | 98.3 | 51% | 0.505 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -43.3 | 178.9 | -170.4 | 63.7 | 54.2 | 0 | 0 | 111.7 | R245 N246 K251 T252 N253 | R245-Q249 PolarHBondContact O-N 3.48Å; N246-Q249 PolarHBondContact O-N 2.77Å; Q249-K251 VanDerWaalsContact C-N 3.3Å; Q249-K251 PolarHBondContact O-N 2.74Å; Q249-T252 PolarHBondContact O-N 2.82Å; Q249-N253 PolarHBondContact NE2-OD1 3.49Å; Q249-N253 WeakPolarHBondContact O-CB 3.28Å; Q249-N253 PolarHBondContact O-N 2.83Å; Q249-N253 PolarHBondContact O-OD1 3.42Å |
| 250 | I | 83.9 | Confident | 82.5 | Confident | 98 Ų | 98 | 101.4 Ų | 101.4 | 50% | 0.503 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 173 | -68.8 | 164 | 0 | 0 | 0 | 110 | N246 L248 N253 T254 | N246-I250 WeakPolarHBondContact O-CB 3.23Å; N246-I250 VanDerWaalsContact O-CG1 3.26Å; N246-I250 WeakPolarHBondContact O-CG1 3.19Å; N246-I250 PolarHBondContact O-N 2.85Å; L248-I250 PolarHBondContact O-N 3.3Å; I250-N253 PolarHBondContact O-N 3.19Å; I250-T254 WeakPolarHBondContact O-CG2 3.28Å; I250-T254 PolarHBondContact O-N 3.49Å; I250-T254 PolarHBondContact O-OG1 3.33Å |
| 251 | K | 80.8 | Confident | 82.6 | Confident | 143 Ų | 143 | 102.1 Ų | 102.1 | 62% | 0.622 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.5 | -41.2 | 178.1 | -73.2 | -67.5 | 174.3 | -166.9 | 0 | 113 | N247 L248 Q249 T254 L255 | N247-K251 WeakPolarHBondContact O-CB 3.26Å; N247-K251 VanDerWaalsContact O-CG 3.24Å; N247-K251 WeakPolarHBondContact O-CG 3.31Å; N247-K251 PolarHBondContact O-N 3.19Å; L248-K251 CarbonylContact O-C 3.51Å; L248-K251 WeakPolarHBondContact O-CA 3.43Å; L248-K251 PolarHBondContact O-N 2.88Å; L248-K251 VanDerWaalsContact O-N 3.09Å; Q249-K251 VanDerWaalsContact C-N 3.3Å; Q249-K251 PolarHBondContact O-N 2.74Å; K251-T254 WeakPolarHBondContact CA-OG1 3.45Å; K251-T254 CarbonylContact O-C 3.56Å; K251-T254 PolarHBondContact O-N 3.31Å; K251-T254 PolarHBondContact O-OG1 2.81Å; K251-L255 WeakPolarHBondContact O-CB 3.34Å; K251-L255 PolarHBondContact O-N 3.08Å |
| 252 | T | 83.5 | Confident | 82.7 | Confident | 58 Ų | 58 | 103.5 Ų | 103.5 | 36% | 0.356 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60 | -47.9 | 172.2 | -57.3 | 0 | 0 | 0 | 0 | 111 | L248 Q249 T254 L255 E256 | L248-T252 PolarHBondContact O-N 3.42Å; L248-T252 PolarHBondContact O-OG1 3.31Å; L248-T252 VanDerWaalsContact O-OG1 3.09Å; Q249-T252 PolarHBondContact O-N 2.82Å; T252-T254 VanDerWaalsContact C-N 3.32Å; T252-T254 PolarHBondContact O-N 3.45Å; T252-L255 WeakPolarHBondContact O-CA 3.47Å; T252-L255 WeakPolarHBondContact O-CB 3.42Å; T252-L255 PolarHBondContact O-N 3.31Å; T252-E256 PolarHBondContact O-N 3.47Å |
| 253 | N | 83.3 | Confident | 82.7 | Confident | 83 Ų | 83 | 106.4 Ų | 106.4 | 44% | 0.444 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -59.2 | -42.7 | 177 | -67.1 | 14 | 0 | 0 | 0 | 111.5 | Q249 I250 L255 E257 | Q249-N253 PolarHBondContact NE2-OD1 3.49Å; Q249-N253 WeakPolarHBondContact O-CB 3.28Å; Q249-N253 PolarHBondContact O-N 2.83Å; Q249-N253 PolarHBondContact O-OD1 3.42Å; I250-N253 PolarHBondContact O-N 3.19Å; N253-L255 VanDerWaalsContact C-N 3.3Å; N253-L255 PolarHBondContact O-N 3.41Å; N253-E257 WeakPolarHBondContact O-CB 3.26Å; N253-E257 PolarHBondContact O-N 3.06Å |
| 254 | T | 83.6 | Confident | 82.8 | Confident | 53 Ų | 53 | 103.2 Ų | 103.2 | 33% | 0.325 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.7 | -23.8 | 174.2 | 59.2 | 0 | 0 | 0 | 0 | 113.5 | I250 K251 T252 K258 | I250-T254 WeakPolarHBondContact O-CG2 3.28Å; I250-T254 PolarHBondContact O-N 3.49Å; I250-T254 PolarHBondContact O-OG1 3.33Å; K251-T254 WeakPolarHBondContact CA-OG1 3.45Å; K251-T254 CarbonylContact O-C 3.56Å; K251-T254 PolarHBondContact O-N 3.31Å; K251-T254 PolarHBondContact O-OG1 2.81Å; T252-T254 VanDerWaalsContact C-N 3.32Å; T252-T254 PolarHBondContact O-N 3.45Å; T254-K258 WeakPolarHBondContact O-CB 3.18Å; T254-K258 WeakPolarHBondContact O-CG 3.22Å; T254-K258 PolarHBondContact O-N 3.44Å; T254-K258 VanDerWaalsContact O-N 3.09Å |
| 255 | L | 81.1 | Confident | 82.9 | Confident | 104 Ų | 104 | 103.8 Ų | 103.8 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.4 | -50.8 | 173.6 | -165.2 | 84.9 | 0 | 0 | 0 | 109.4 | K251 T252 N253 E257 K258 E259 | K251-L255 WeakPolarHBondContact O-CB 3.34Å; K251-L255 PolarHBondContact O-N 3.08Å; T252-L255 WeakPolarHBondContact O-CA 3.47Å; T252-L255 WeakPolarHBondContact O-CB 3.42Å; T252-L255 PolarHBondContact O-N 3.31Å; N253-L255 VanDerWaalsContact C-N 3.3Å; N253-L255 PolarHBondContact O-N 3.41Å; L255-E257 VanDerWaalsContact C-N 3.27Å; L255-E257 PolarHBondContact O-N 3.5Å; L255-K258 CarbonylContact O-C 3.58Å; L255-K258 WeakPolarHBondContact O-CA 3.35Å; L255-K258 PolarHBondContact O-N 3.43Å; L255-E259 WeakPolarHBondContact O-CG 3.3Å; L255-E259 PolarHBondContact O-N 2.86Å |
| 256 | E | 83.7 | Confident | 82.9 | Confident | 78 Ų | 78 | 98.3 Ų | 98.3 | 36% | 0.364 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -56.7 | -40.6 | 175 | -70.9 | -176.7 | -150 | 0 | 0 | 112.1 | T252 E259 R260 | T252-E256 PolarHBondContact O-N 3.47Å; E256-E259 PolarHBondContact O-N 2.72Å; E256-R260 WeakPolarHBondContact O-CB 3.19Å; E256-R260 VanDerWaalsContact O-CG 3.23Å; E256-R260 WeakPolarHBondContact O-CG 3.49Å; E256-R260 PolarHBondContact O-N 3.39Å; E256-R260 IonicContact OE2-CZ 2.69Å; E256-R260 IonicContact OE2-NH2 3.88Å; E256-R260 PolarHBondContact OE2-NH2 3.36Å |
| 257 | E | 83.2 | Confident | 83.1 | Confident | 120 Ų | 120 | 99.4 Ų | 99.4 | 56% | 0.561 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.1 | -38.8 | 176.3 | -173.8 | 174.6 | -142.1 | 0 | 0 | 111.8 | N253 L255 Q261 | N253-E257 WeakPolarHBondContact O-CB 3.26Å; N253-E257 PolarHBondContact O-N 3.06Å; L255-E257 VanDerWaalsContact C-N 3.27Å; L255-E257 PolarHBondContact O-N 3.5Å; E257-Q261 WeakPolarHBondContact O-CB 3.3Å; E257-Q261 PolarHBondContact O-N 2.97Å |
| 258 | K | 82.2 | Confident | 83.2 | Confident | 109 Ų | 109 | 100 Ų | 100 | 47% | 0.474 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -73.4 | -32.5 | 174.4 | -68.1 | -69.1 | 152.4 | -164.2 | 0 | 112.8 | T254 L255 Q261 I262 | T254-K258 WeakPolarHBondContact O-CB 3.18Å; T254-K258 WeakPolarHBondContact O-CG 3.22Å; T254-K258 PolarHBondContact O-N 3.44Å; T254-K258 VanDerWaalsContact O-N 3.09Å; L255-K258 CarbonylContact O-C 3.58Å; L255-K258 WeakPolarHBondContact O-CA 3.35Å; L255-K258 PolarHBondContact O-N 3.43Å; K258-Q261 PolarHBondContact O-N 3.03Å; K258-I262 WeakPolarHBondContact O-CB 3.41Å; K258-I262 WeakPolarHBondContact O-CD1 3.1Å; K258-I262 WeakPolarHBondContact O-CG1 3.43Å; K258-I262 PolarHBondContact O-N 3.37Å |
| 259 | E | 83.4 | Confident | 83.2 | Confident | 109 Ų | 109 | 99.9 Ų | 99.9 | 51% | 0.509 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -43.3 | 171.8 | -74.2 | 174.3 | 168.6 | 0 | 0 | 110.8 | L255 E256 Q261 I262 H263 | L255-E259 WeakPolarHBondContact O-CG 3.3Å; L255-E259 PolarHBondContact O-N 2.86Å; E256-E259 PolarHBondContact O-N 2.72Å; E259-Q261 PolarHBondContact O-N 3.2Å; E259-I262 PolarHBondContact O-N 3.06Å; E259-H263 WeakPolarHBondContact O-CB 3.46Å; E259-H263 PolarHBondContact O-N 3.47Å |
| 260 | R | 85.1 | Confident | 83.3 | Confident | 166 Ų | 166 | 99.5 Ų | 99.5 | 63% | 0.626 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.4 | -42 | 171.8 | -68.8 | 171.2 | -143.4 | 176.1 | 5.5 | 112 | E256 H263 S264 | E256-R260 WeakPolarHBondContact O-CB 3.19Å; E256-R260 VanDerWaalsContact O-CG 3.23Å; E256-R260 WeakPolarHBondContact O-CG 3.49Å; E256-R260 PolarHBondContact O-N 3.39Å; E256-R260 IonicContact OE2-CZ 2.69Å; E256-R260 IonicContact OE2-NH2 3.88Å; E256-R260 PolarHBondContact OE2-NH2 3.36Å; R260-H263 WeakPolarHBondContact O-CB 3.25Å; R260-H263 PolarHBondContact O-N 3.44Å; R260-S264 PolarHBondContact O-N 3.04Å |
| 261 | Q | 85.1 | Confident | 83.3 | Confident | 93 Ų | 93 | 97 Ų | 97 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -67.5 | -37.7 | 176.4 | -170.1 | 170.9 | 27.9 | 0 | 0 | 112.4 | E257 K258 E259 H263 S264 L265 | E257-Q261 WeakPolarHBondContact O-CB 3.3Å; E257-Q261 PolarHBondContact O-N 2.97Å; K258-Q261 PolarHBondContact O-N 3.03Å; E259-Q261 PolarHBondContact O-N 3.2Å; Q261-H263 VanDerWaalsContact C-N 3.28Å; Q261-S264 PolarHBondContact O-N 3.5Å; Q261-S264 PolarHBondContact O-OG 3.45Å; Q261-L265 HydrophobicContact CG-CD1 4.23Å; Q261-L265 WeakPolarHBondContact O-CB 3.29Å; Q261-L265 VanDerWaalsContact O-CG 3.28Å; Q261-L265 WeakPolarHBondContact O-CG 3.38Å; Q261-L265 PolarHBondContact O-N 3.46Å |
| 262 | I | 82.5 | Confident | 83.3 | Confident | 105 Ų | 105 | 93.2 Ų | 93.2 | 54% | 0.538 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.3 | -38.2 | 170.5 | -72.5 | 163 | 0 | 0 | 0 | 110 | K258 E259 L265 T266 | K258-I262 WeakPolarHBondContact O-CB 3.41Å; K258-I262 WeakPolarHBondContact O-CD1 3.1Å; K258-I262 WeakPolarHBondContact O-CG1 3.43Å; K258-I262 PolarHBondContact O-N 3.37Å; E259-I262 PolarHBondContact O-N 3.06Å; I262-L265 PolarHBondContact O-N 3.46Å; I262-T266 VanDerWaalsContact O-CB 3.29Å; I262-T266 WeakPolarHBondContact O-CB 3.49Å; I262-T266 PolarHBondContact O-N 3.04Å; I262-T266 PolarHBondContact O-OG1 2.98Å |
| 263 | H | 83.4 | Confident | 83.3 | Confident | 145 Ų | 145 | 96.8 Ų | 96.8 | 67% | 0.671 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.6 | -40.1 | 178.7 | -138.9 | 66.8 | 0 | 0 | 0 | 112.6 | E259 R260 Q261 T266 H267 | E259-H263 WeakPolarHBondContact O-CB 3.46Å; E259-H263 PolarHBondContact O-N 3.47Å; R260-H263 WeakPolarHBondContact O-CB 3.25Å; R260-H263 PolarHBondContact O-N 3.44Å; Q261-H263 VanDerWaalsContact C-N 3.28Å; H263-T266 PolarHBondContact O-N 2.94Å; H263-H267 PolarHBondContact O-N 3.29Å |
| 264 | S | 84.8 | Confident | 83.3 | Confident | 53 Ų | 53 | 99 Ų | 99 | 37% | 0.371 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65 | -49.7 | 172.6 | 95.5 | 0 | 0 | 0 | 0 | 110.9 | R260 Q261 T266 H267 E268 | R260-S264 PolarHBondContact O-N 3.04Å; Q261-S264 PolarHBondContact O-N 3.5Å; Q261-S264 PolarHBondContact O-OG 3.45Å; S264-T266 PolarHBondContact O-N 2.97Å; S264-H267 CarbonylContact O-C 3.59Å; S264-H267 WeakPolarHBondContact O-CA 3.26Å; S264-H267 WeakPolarHBondContact O-CB 3Å; S264-H267 PolarHBondContact O-N 3.13Å; S264-E268 WeakPolarHBondContact CB-OE1 3.39Å; S264-E268 WeakPolarHBondContact O-CB 3.48Å; S264-E268 VanDerWaalsContact O-CG 3.26Å; S264-E268 WeakPolarHBondContact O-CG 3.44Å; S264-E268 PolarHBondContact O-N 2.58Å; S264-E268 PolarHBondContact OG-OE1 3.47Å |
| 265 | L | 82.2 | Confident | 83.2 | Confident | 86 Ų | 86 | 101 Ų | 101 | 45% | 0.45 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.8 | -31.6 | 177.7 | -70.9 | 171.4 | 0 | 0 | 0 | 112.8 | Q261 I262 L269 | Q261-L265 HydrophobicContact CG-CD1 4.23Å; Q261-L265 WeakPolarHBondContact O-CB 3.29Å; Q261-L265 VanDerWaalsContact O-CG 3.28Å; Q261-L265 WeakPolarHBondContact O-CG 3.38Å; Q261-L265 PolarHBondContact O-N 3.46Å; I262-L265 PolarHBondContact O-N 3.46Å; L265-L269 VanDerWaalsContact O-CB 3.31Å; L265-L269 WeakPolarHBondContact O-CB 3.2Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 2.68Å |
| 266 | T | 84.3 | Confident | 83.2 | Confident | 60 Ų | 60 | 100.5 Ų | 100.5 | 37% | 0.368 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -70 | -43.2 | 173.2 | -56.5 | 0 | 0 | 0 | 0 | 110.8 | I262 H263 S264 L269 E270 | I262-T266 VanDerWaalsContact O-CB 3.29Å; I262-T266 WeakPolarHBondContact O-CB 3.49Å; I262-T266 PolarHBondContact O-N 3.04Å; I262-T266 PolarHBondContact O-OG1 2.98Å; H263-T266 PolarHBondContact O-N 2.94Å; S264-T266 PolarHBondContact O-N 2.97Å; T266-L269 WeakPolarHBondContact O-CB 2.99Å; T266-L269 PolarHBondContact O-N 3.11Å; T266-E270 WeakPolarHBondContact O-CG 3.47Å; T266-E270 PolarHBondContact O-N 2.81Å |
| 267 | H | 84.4 | Confident | 83.1 | Confident | 116 Ų | 116 | 102.6 Ų | 102.6 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | 177.4 | -165.1 | 58.3 | 0 | 0 | 0 | 112.9 | H263 S264 E270 S271 | H263-H267 PolarHBondContact O-N 3.29Å; S264-H267 CarbonylContact O-C 3.59Å; S264-H267 WeakPolarHBondContact O-CA 3.26Å; S264-H267 WeakPolarHBondContact O-CB 3Å; S264-H267 PolarHBondContact O-N 3.13Å; H267-E270 IonicContact ND1-OE2 2.68Å; H267-E270 PolarHBondContact O-N 2.62Å; H267-S271 PolarHBondContact O-N 3.27Å |
| 268 | E | 84.2 | Confident | 83 | Confident | 97 Ų | 97 | 101.2 Ų | 101.2 | 45% | 0.453 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.2 | -43.4 | 171.8 | -68.4 | 158.3 | -129.3 | 0 | 0 | 110.5 | S264 S271 C272 | S264-E268 WeakPolarHBondContact CB-OE1 3.39Å; S264-E268 WeakPolarHBondContact O-CB 3.48Å; S264-E268 VanDerWaalsContact O-CG 3.26Å; S264-E268 WeakPolarHBondContact O-CG 3.44Å; S264-E268 PolarHBondContact O-N 2.58Å; S264-E268 PolarHBondContact OG-OE1 3.47Å; E268-S271 PolarHBondContact O-N 2.73Å; E268-C272 WeakPolarHBondContact O-CB 3.43Å; E268-C272 PolarHBondContact O-N 2.68Å; E268-C272 PolarHBondContact O-SG 3.07Å |
| 269 | L | 79.3 | Confident | 83 | Confident | 113 Ų | 113 | 101.8 Ų | 101.8 | 59% | 0.592 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -63.3 | -37.9 | 171.4 | -85.4 | 166.5 | 0 | 0 | 0 | 113 | L265 T266 H273 | L265-L269 VanDerWaalsContact O-CB 3.31Å; L265-L269 WeakPolarHBondContact O-CB 3.2Å; L265-L269 WeakPolarHBondContact O-CG 3.37Å; L265-L269 PolarHBondContact O-N 2.68Å; T266-L269 WeakPolarHBondContact O-CB 2.99Å; T266-L269 PolarHBondContact O-N 3.11Å; L269-H273 WeakPolarHBondContact O-CB 3.42Å; L269-H273 PolarHBondContact O-N 3.42Å |
| 270 | E | 85.2 | Confident | 82.9 | Confident | 101 Ų | 101 | 101.5 Ų | 101.5 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.3 | -27.9 | 174.6 | -76.8 | 178.9 | 167.9 | 0 | 0 | 113 | T266 H267 R274 | T266-E270 WeakPolarHBondContact O-CG 3.47Å; T266-E270 PolarHBondContact O-N 2.81Å; H267-E270 IonicContact ND1-OE2 2.68Å; H267-E270 PolarHBondContact O-N 2.62Å; E270-R274 PolarHBondContact O-N 3.14Å; E270-R274 PolarHBondContact O-NE 3.14Å; E270-R274 PolarHBondContact O-NH2 2.74Å |
| 271 | S | 83.8 | Confident | 82.7 | Confident | 45 Ų | 45 | 98 Ų | 98 | 32% | 0.315 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.9 | -52.2 | 170.2 | -156.5 | 0 | 0 | 0 | 0 | 109.7 | H267 E268 H273 R274 E275 | H267-S271 PolarHBondContact O-N 3.27Å; E268-S271 PolarHBondContact O-N 2.73Å; S271-H273 PolarHBondContact O-N 2.83Å; S271-R274 PolarHBondContact O-N 2.86Å; S271-E275 WeakPolarHBondContact CB-OE1 3.48Å; S271-E275 WeakPolarHBondContact O-CG 3.4Å; S271-E275 PolarHBondContact O-N 3.3Å; S271-E275 PolarHBondContact OG-OE1 3.49Å |
| 272 | C | 81.6 | Confident | 82.5 | Confident | 64 Ų | 64 | 95.8 Ų | 95.8 | 43% | 0.432 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -56.2 | -37 | 175.8 | -66.3 | 0 | 0 | 0 | 0 | 112.4 | E268 L276 | E268-C272 WeakPolarHBondContact O-CB 3.43Å; E268-C272 PolarHBondContact O-N 2.68Å; E268-C272 PolarHBondContact O-SG 3.07Å; C272-L276 VanDerWaalsContact O-CB 3.31Å; C272-L276 WeakPolarHBondContact O-CB 3.42Å; C272-L276 VanDerWaalsContact O-CG 3.25Å; C272-L276 WeakPolarHBondContact O-CG 3.12Å; C272-L276 PolarHBondContact O-N 2.89Å |
| 273 | H | 82.3 | Confident | 82.3 | Confident | 132 Ų | 132 | 94.1 Ų | 94.1 | 61% | 0.611 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.5 | -41.7 | 174.4 | -110.3 | 74.2 | 0 | 0 | 0 | 112.5 | L269 S271 L276 E277 | L269-H273 WeakPolarHBondContact O-CB 3.42Å; L269-H273 PolarHBondContact O-N 3.42Å; S271-H273 PolarHBondContact O-N 2.83Å; H273-L276 PolarHBondContact O-N 2.83Å; H273-E277 VanDerWaalsContact O-CB 3.26Å; H273-E277 WeakPolarHBondContact O-CB 3.26Å; H273-E277 PolarHBondContact O-N 3.47Å |
| 274 | R | 84.1 | Confident | 82 | Confident | 130 Ų | 130 | 93 Ų | 93 | 49% | 0.491 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69 | -35.2 | 176.5 | -80.7 | 175 | -77.3 | 163 | -5.4 | 112.3 | E270 S271 E277 T278 | E270-R274 PolarHBondContact O-N 3.14Å; E270-R274 PolarHBondContact O-NE 3.14Å; E270-R274 PolarHBondContact O-NH2 2.74Å; S271-R274 PolarHBondContact O-N 2.86Å; R274-E277 PolarHBondContact O-N 2.73Å; R274-T278 WeakPolarHBondContact O-CG2 3.44Å; R274-T278 PolarHBondContact O-N 2.78Å; R274-T278 PolarHBondContact O-OG1 3.42Å |
| 275 | E | 82.3 | Confident | 81.9 | Confident | 96 Ų | 96 | 95.3 Ų | 95.3 | 45% | 0.449 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.3 | -39.6 | 174 | -70.1 | 158 | -131.8 | 0 | 0 | 111.8 | S271 T278 Q279 | S271-E275 WeakPolarHBondContact CB-OE1 3.48Å; S271-E275 WeakPolarHBondContact O-CG 3.4Å; S271-E275 PolarHBondContact O-N 3.3Å; S271-E275 PolarHBondContact OG-OE1 3.49Å; E275-T278 PolarHBondContact O-OG1 2.8Å; E275-Q279 WeakPolarHBondContact O-CB 3.33Å; E275-Q279 WeakPolarHBondContact O-CG 3.47Å; E275-Q279 PolarHBondContact O-N 2.83Å |
| 276 | L | 79.2 | Confident | 81.8 | Confident | 93 Ų | 93 | 96.1 Ų | 96.1 | 49% | 0.487 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.2 | -37.7 | 170 | -75.9 | 168 | 0 | 0 | 0 | 111.6 | C272 H273 Q279 I280 | C272-L276 VanDerWaalsContact O-CB 3.31Å; C272-L276 WeakPolarHBondContact O-CB 3.42Å; C272-L276 VanDerWaalsContact O-CG 3.25Å; C272-L276 WeakPolarHBondContact O-CG 3.12Å; C272-L276 PolarHBondContact O-N 2.89Å; H273-L276 PolarHBondContact O-N 2.83Å; L276-Q279 PolarHBondContact O-N 3.01Å; L276-I280 WeakPolarHBondContact O-CB 3.22Å; L276-I280 WeakPolarHBondContact O-CD1 3.28Å; L276-I280 WeakPolarHBondContact O-CG1 3.4Å; L276-I280 PolarHBondContact O-N 3.15Å |
| 277 | E | 83 | Confident | 81.7 | Confident | 121 Ų | 121 | 99 Ų | 99 | 57% | 0.565 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.9 | -39.1 | 177.7 | -169.5 | 167 | -143.5 | 0 | 0 | 111.6 | H273 R274 I280 N281 | H273-E277 VanDerWaalsContact O-CB 3.26Å; H273-E277 WeakPolarHBondContact O-CB 3.26Å; H273-E277 PolarHBondContact O-N 3.47Å; R274-E277 PolarHBondContact O-N 2.73Å; E277-I280 PolarHBondContact O-N 2.94Å; E277-N281 WeakPolarHBondContact O-CB 3.45Å; E277-N281 PolarHBondContact O-N 3.34Å; E277-N281 PolarHBondContact O-ND2 3.14Å |
| 278 | T | 80.7 | Confident | 81.4 | Confident | 91 Ų | 91 | 96.2 Ų | 96.2 | 56% | 0.558 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -69 | -36 | 171.7 | 54.8 | 0 | 0 | 0 | 0 | 112.5 | R274 E275 N281 S282 | R274-T278 WeakPolarHBondContact O-CG2 3.44Å; R274-T278 PolarHBondContact O-N 2.78Å; R274-T278 PolarHBondContact O-OG1 3.42Å; E275-T278 PolarHBondContact O-OG1 2.8Å; T278-N281 PolarHBondContact O-N 3.24Å; T278-S282 PolarHBondContact O-N 3.31Å; T278-S282 PolarHBondContact O-OG 3.19Å; T278-S282 VanDerWaalsContact O-OG 3.07Å |
| 279 | Q | 81.5 | Confident | 81.2 | Confident | 122 Ų | 122 | 95.5 Ų | 95.5 | 57% | 0.57 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -67 | -37.6 | 171.9 | -75.3 | -174.3 | 14.7 | 0 | 0 | 112.8 | E275 L276 S282 V283 | E275-Q279 WeakPolarHBondContact O-CB 3.33Å; E275-Q279 WeakPolarHBondContact O-CG 3.47Å; E275-Q279 PolarHBondContact O-N 2.83Å; L276-Q279 PolarHBondContact O-N 3.01Å; Q279-S282 WeakPolarHBondContact CA-OG 3.3Å; Q279-S282 PolarHBondContact O-N 2.92Å; Q279-S282 PolarHBondContact O-OG 3.26Å; Q279-V283 WeakPolarHBondContact O-CB 3.41Å; Q279-V283 VanDerWaalsContact O-CG2 3.26Å; Q279-V283 WeakPolarHBondContact O-CG2 3.48Å; Q279-V283 PolarHBondContact O-N 3.32Å |
| 280 | I | 81 | Confident | 81.3 | Confident | 103 Ų | 103 | 96 Ų | 96 | 53% | 0.528 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.6 | -45.5 | 173.9 | -72.6 | 165.2 | 0 | 0 | 0 | 110.3 | L276 E277 S282 V283 E284 | L276-I280 WeakPolarHBondContact O-CB 3.22Å; L276-I280 WeakPolarHBondContact O-CD1 3.28Å; L276-I280 WeakPolarHBondContact O-CG1 3.4Å; L276-I280 PolarHBondContact O-N 3.15Å; E277-I280 PolarHBondContact O-N 2.94Å; I280-S282 PolarHBondContact O-N 3.25Å; I280-V283 PolarHBondContact O-N 3.44Å; I280-E284 PolarHBondContact O-N 3.21Å |
| 281 | N | 81.2 | Confident | 81.3 | Confident | 93 Ų | 93 | 97.5 Ų | 97.5 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.3 | -40.5 | 177.7 | -77.5 | -62.8 | 0 | 0 | 0 | 112.7 | E277 T278 E284 L285 | E277-N281 WeakPolarHBondContact O-CB 3.45Å; E277-N281 PolarHBondContact O-N 3.34Å; E277-N281 PolarHBondContact O-ND2 3.14Å; T278-N281 PolarHBondContact O-N 3.24Å; N281-E284 PolarHBondContact O-N 3.26Å; N281-L285 PolarHBondContact O-N 3.41Å |
| 282 | S | 80.8 | Confident | 81.2 | Confident | 45 Ų | 45 | 102 Ų | 102 | 32% | 0.315 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.2 | -37.1 | 173.7 | 54.3 | 0 | 0 | 0 | 0 | 112.3 | T278 Q279 I280 E284 L285 F286 | T278-S282 PolarHBondContact O-N 3.31Å; T278-S282 PolarHBondContact O-OG 3.19Å; T278-S282 VanDerWaalsContact O-OG 3.07Å; Q279-S282 WeakPolarHBondContact CA-OG 3.3Å; Q279-S282 PolarHBondContact O-N 2.92Å; Q279-S282 PolarHBondContact O-OG 3.26Å; I280-S282 PolarHBondContact O-N 3.25Å; S282-E284 VanDerWaalsContact C-N 3.31Å; S282-E284 PolarHBondContact O-N 3.21Å; S282-L285 WeakPolarHBondContact O-CB 3.35Å; S282-L285 PolarHBondContact O-N 3.42Å; S282-L285 VanDerWaalsContact O-N 3.14Å; S282-F286 WeakPolarHBondContact O-CD2 3.45Å; S282-F286 WeakPolarHBondContact O-CG 3.24Å; S282-F286 PolarHBondContact O-N 3.26Å |
| 283 | V | 79.1 | Confident | 81.1 | Confident | 70 Ų | 70 | 103.3 Ų | 103.3 | 42% | 0.424 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -30.6 | 172 | 166.8 | 0 | 0 | 0 | 0 | 112.5 | Q279 I280 K287 | Q279-V283 WeakPolarHBondContact O-CB 3.41Å; Q279-V283 VanDerWaalsContact O-CG2 3.26Å; Q279-V283 WeakPolarHBondContact O-CG2 3.48Å; Q279-V283 PolarHBondContact O-N 3.32Å; I280-V283 PolarHBondContact O-N 3.44Å; V283-K287 HydrophobicContact CG1-CD 4.33Å; V283-K287 WeakPolarHBondContact O-CB 3.29Å; V283-K287 WeakPolarHBondContact O-CD 3.45Å; V283-K287 WeakPolarHBondContact O-CG 3.07Å; V283-K287 PolarHBondContact O-N 3.3Å |
| 284 | E | 77.7 | Confident | 81.1 | Confident | 123 Ų | 123 | 102.4 Ų | 102.4 | 58% | 0.575 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.7 | -37.5 | 169.2 | -67.3 | -151.2 | 148.7 | 0 | 0 | 112.4 | I280 N281 S282 K287 S288 | I280-E284 PolarHBondContact O-N 3.21Å; N281-E284 PolarHBondContact O-N 3.26Å; S282-E284 VanDerWaalsContact C-N 3.31Å; S282-E284 PolarHBondContact O-N 3.21Å; E284-K287 PolarHBondContact O-N 3.44Å; E284-S288 PolarHBondContact O-N 3.14Å |
| 285 | L | 81.8 | Confident | 81.1 | Confident | 100 Ų | 100 | 100.5 Ų | 100.5 | 52% | 0.524 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -61.1 | -52.5 | 173 | -149.5 | 86.1 | 0 | 0 | 0 | 111 | N281 S282 K287 S288 E289 | N281-L285 PolarHBondContact O-N 3.41Å; S282-L285 WeakPolarHBondContact O-CB 3.35Å; S282-L285 PolarHBondContact O-N 3.42Å; S282-L285 VanDerWaalsContact O-N 3.14Å; L285-K287 VanDerWaalsContact C-N 3.27Å; L285-K287 PolarHBondContact O-N 2.91Å; L285-S288 WeakPolarHBondContact O-CA 3.46Å; L285-S288 WeakPolarHBondContact O-CB 3.14Å; L285-S288 PolarHBondContact O-N 3.3Å; L285-S288 PolarHBondContact O-OG 3.33Å; L285-E289 PolarHBondContact O-N 3.41Å |
| 286 | F | 80.9 | Confident | 81.1 | Confident | 104 Ų | 104 | 99 Ų | 99 | 46% | 0.456 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.3 | -32.6 | 176.5 | -68.5 | -48.9 | 0 | 0 | 0 | 112.7 | S282 E289 Q290 | S282-F286 WeakPolarHBondContact O-CD2 3.45Å; S282-F286 WeakPolarHBondContact O-CG 3.24Å; S282-F286 PolarHBondContact O-N 3.26Å; F286-E289 WeakPolarHBondContact CD1-OE2 3.36Å; F286-Q290 WeakPolarHBondContact O-CB 3.28Å; F286-Q290 PolarHBondContact O-N 3.16Å |
| 287 | K | 81.2 | Confident | 81.1 | Confident | 120 Ų | 120 | 100.9 Ų | 100.9 | 52% | 0.522 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.2 | -33.6 | 170.6 | -78.9 | 166.6 | -173.7 | 164 | 0 | 112.7 | V283 E284 L285 K291 | V283-K287 HydrophobicContact CG1-CD 4.33Å; V283-K287 WeakPolarHBondContact O-CB 3.29Å; V283-K287 WeakPolarHBondContact O-CD 3.45Å; V283-K287 WeakPolarHBondContact O-CG 3.07Å; V283-K287 PolarHBondContact O-N 3.3Å; E284-K287 PolarHBondContact O-N 3.44Å; L285-K287 VanDerWaalsContact C-N 3.27Å; L285-K287 PolarHBondContact O-N 2.91Å; K287-K291 VanDerWaalsContact O-CB 3.3Å; K287-K291 WeakPolarHBondContact O-CB 3.29Å; K287-K291 PolarHBondContact O-N 3.09Å |
| 288 | S | 78.7 | Confident | 81.2 | Confident | 57 Ų | 57 | 99.5 Ų | 99.5 | 40% | 0.399 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.5 | -40.4 | 175.5 | 83 | 0 | 0 | 0 | 0 | 111.5 | E284 L285 K291 M292 | E284-S288 PolarHBondContact O-N 3.14Å; L285-S288 WeakPolarHBondContact O-CA 3.46Å; L285-S288 WeakPolarHBondContact O-CB 3.14Å; L285-S288 PolarHBondContact O-N 3.3Å; L285-S288 PolarHBondContact O-OG 3.33Å; S288-K291 PolarHBondContact O-N 3.4Å; S288-M292 PolarHBondContact O-N 3.07Å |
| 289 | E | 80.8 | Confident | 81.3 | Confident | 82 Ų | 82 | 101.1 Ų | 101.1 | 38% | 0.383 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -68.2 | -48.1 | 174.9 | -68.7 | 170.5 | 175.4 | 0 | 0 | 111.4 | L285 F286 K291 M292 I293 | L285-E289 PolarHBondContact O-N 3.41Å; F286-E289 WeakPolarHBondContact CD1-OE2 3.36Å; E289-K291 PolarHBondContact O-N 3.38Å; E289-K291 VanDerWaalsContact O-N 3.16Å; E289-M292 PolarHBondContact O-N 3.47Å; E289-I293 WeakPolarHBondContact O-CB 3.5Å; E289-I293 VanDerWaalsContact O-CG1 3.31Å; E289-I293 WeakPolarHBondContact O-CG1 3.21Å; E289-I293 PolarHBondContact O-N 3Å |
| 290 | Q | 80.7 | Confident | 81.4 | Confident | 123 Ų | 123 | 99.8 Ų | 99.8 | 58% | 0.575 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -51.5 | -39.3 | 171 | -177.5 | -176.1 | 24 | 0 | 0 | 110.8 | F286 Q294 | F286-Q290 WeakPolarHBondContact O-CB 3.28Å; F286-Q290 PolarHBondContact O-N 3.16Å; Q290-Q294 WeakPolarHBondContact O-CB 3.26Å; Q290-Q294 PolarHBondContact O-N 2.98Å |
| 291 | K | 84 | Confident | 81.6 | Confident | 134 Ų | 134 | 99.1 Ų | 99.1 | 58% | 0.583 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -74.2 | -35.1 | 177.6 | -167.6 | 170.3 | -175 | 175.7 | 0 | 113.3 | K287 S288 E289 N295 | K287-K291 VanDerWaalsContact O-CB 3.3Å; K287-K291 WeakPolarHBondContact O-CB 3.29Å; K287-K291 PolarHBondContact O-N 3.09Å; S288-K291 PolarHBondContact O-N 3.4Å; E289-K291 PolarHBondContact O-N 3.38Å; E289-K291 VanDerWaalsContact O-N 3.16Å; K291-N295 WeakPolarHBondContact O-CB 3.49Å; K291-N295 PolarHBondContact O-N 2.93Å; K291-N295 PolarHBondContact O-OD1 3.01Å |
| 292 | M | 82.6 | Confident | 81.8 | Confident | 140 Ų | 140 | 99.4 Ų | 99.4 | 69% | 0.69 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -66.8 | -42.3 | 171.4 | -68.8 | -159 | -169.2 | 0 | 0 | 111.7 | S288 E289 N295 S296 | S288-M292 PolarHBondContact O-N 3.07Å; E289-M292 PolarHBondContact O-N 3.47Å; M292-N295 PolarHBondContact O-N 3.28Å; M292-S296 PolarHBondContact O-N 3.44Å; M292-S296 PolarHBondContact O-OG 2.96Å |
| 293 | I | 80.4 | Confident | 82 | Confident | 90 Ų | 90 | 102.1 Ų | 102.1 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -66.9 | -40.7 | 176.7 | -67.7 | 166.3 | 0 | 0 | 0 | 110.7 | E289 S296 F297 | E289-I293 WeakPolarHBondContact O-CB 3.5Å; E289-I293 VanDerWaalsContact O-CG1 3.31Å; E289-I293 WeakPolarHBondContact O-CG1 3.21Å; E289-I293 PolarHBondContact O-N 3Å; I293-S296 PolarHBondContact O-N 2.73Å; I293-S296 PolarHBondContact O-OG 3Å; I293-S296 VanDerWaalsContact O-OG 3.09Å; I293-F297 HydrophobicContact CG2-CD2 3.56Å; I293-F297 HydrophobicContact CG2-CE2 3.37Å; I293-F297 HydrophobicContact CG2-CZ 4.45Å; I293-F297 WeakPolarHBondContact O-CB 3.43Å; I293-F297 VanDerWaalsContact O-CD2 3.22Å; I293-F297 WeakPolarHBondContact O-CD2 3.48Å; I293-F297 PolarHBondContact O-N 3.27Å |
| 294 | Q | 82.3 | Confident | 82.2 | Confident | 113 Ų | 113 | 103.1 Ų | 103.1 | 53% | 0.528 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.1 | -43.9 | 173.5 | -176.2 | 175.3 | 2.5 | 0 | 0 | 111 | Q290 F297 E298 | Q290-Q294 WeakPolarHBondContact O-CB 3.26Å; Q290-Q294 PolarHBondContact O-N 2.98Å; Q294-F297 PolarHBondContact O-N 3.45Å; Q294-E298 VanDerWaalsContact O-CB 3.25Å; Q294-E298 WeakPolarHBondContact O-CB 3.25Å; Q294-E298 PolarHBondContact O-N 2.7Å |
| 295 | N | 83.4 | Confident | 82.5 | Confident | 91 Ų | 91 | 102.7 Ų | 102.7 | 49% | 0.487 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.7 | -43 | 174.9 | -72.3 | -4.3 | 0 | 0 | 0 | 111.8 | K291 M292 E298 E299 | K291-N295 WeakPolarHBondContact O-CB 3.49Å; K291-N295 PolarHBondContact O-N 2.93Å; K291-N295 PolarHBondContact O-OD1 3.01Å; M292-N295 PolarHBondContact O-N 3.28Å; N295-E298 PolarHBondContact O-N 2.78Å; N295-E299 WeakPolarHBondContact O-CB 3.38Å; N295-E299 PolarHBondContact O-N 2.83Å |
| 296 | S | 82.3 | Confident | 82.7 | Confident | 65 Ų | 65 | 102.7 Ų | 102.7 | 46% | 0.455 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.8 | -34.8 | -179.4 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | M292 I293 K300 | M292-S296 PolarHBondContact O-N 3.44Å; M292-S296 PolarHBondContact O-OG 2.96Å; I293-S296 PolarHBondContact O-N 2.73Å; I293-S296 PolarHBondContact O-OG 3Å; I293-S296 VanDerWaalsContact O-OG 3.09Å; S296-K300 VanDerWaalsContact O-CB 3.23Å; S296-K300 WeakPolarHBondContact O-CB 3.28Å; S296-K300 PolarHBondContact O-N 3.42Å |
| 297 | F | 80 | Confident | 83 | Confident | 131 Ų | 131 | 101.5 Ų | 101.5 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.6 | -38.2 | 168.4 | -77.5 | -50.6 | 0 | 0 | 0 | 112.2 | I293 Q294 E299 K300 I301 | I293-F297 HydrophobicContact CG2-CD2 3.56Å; I293-F297 HydrophobicContact CG2-CE2 3.37Å; I293-F297 HydrophobicContact CG2-CZ 4.45Å; I293-F297 WeakPolarHBondContact O-CB 3.43Å; I293-F297 VanDerWaalsContact O-CD2 3.22Å; I293-F297 WeakPolarHBondContact O-CD2 3.48Å; I293-F297 PolarHBondContact O-N 3.27Å; Q294-F297 PolarHBondContact O-N 3.45Å; F297-E299 VanDerWaalsContact C-N 3.33Å; F297-E299 PolarHBondContact O-N 2.77Å; F297-K300 CarbonylContact O-C 3.59Å; F297-K300 PolarHBondContact O-N 3.34Å; F297-I301 WeakPolarHBondContact O-CB 3.32Å; F297-I301 WeakPolarHBondContact O-CD1 3.48Å; F297-I301 WeakPolarHBondContact O-CG1 3.43Å; F297-I301 PolarHBondContact O-N 3.42Å |
| 298 | E | 84.1 | Confident | 83.2 | Confident | 92 Ų | 92 | 100.9 Ų | 100.9 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69 | -32.4 | 177.1 | -159.5 | -174.5 | -99 | 0 | 0 | 111.8 | Q294 N295 K302 | Q294-E298 VanDerWaalsContact O-CB 3.25Å; Q294-E298 WeakPolarHBondContact O-CB 3.25Å; Q294-E298 PolarHBondContact O-N 2.7Å; N295-E298 PolarHBondContact O-N 2.78Å; E298-K302 WeakPolarHBondContact O-CD 3.44Å; E298-K302 VanDerWaalsContact O-CG 3.28Å; E298-K302 WeakPolarHBondContact O-CG 3.4Å; E298-K302 PolarHBondContact O-N 3.42Å; E298-K302 IonicContact OE2-NZ 2.58Å; E298-K302 PolarHBondContact OE2-NZ 3.07Å |
| 299 | E | 83.5 | Confident | 83.6 | Confident | 125 Ų | 125 | 101.8 Ų | 101.8 | 58% | 0.584 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.2 | -39.2 | 171.2 | -170.3 | 164.7 | -132.9 | 0 | 0 | 112.2 | N295 F297 I301 K302 Q303 | N295-E299 WeakPolarHBondContact O-CB 3.38Å; N295-E299 PolarHBondContact O-N 2.83Å; F297-E299 VanDerWaalsContact C-N 3.33Å; F297-E299 PolarHBondContact O-N 2.77Å; E299-I301 VanDerWaalsContact C-N 3.34Å; E299-K302 PolarHBondContact O-N 2.79Å; E299-Q303 WeakPolarHBondContact O-CG 3.09Å; E299-Q303 PolarHBondContact O-N 2.85Å |
| 300 | K | 83.8 | Confident | 83.8 | Confident | 95 Ų | 95 | 102.8 Ų | 102.8 | 41% | 0.413 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -36.7 | 171.4 | -175.3 | 80 | 174.6 | -168.9 | 0 | 111.3 | S296 F297 Q303 L304 E818 | S296-K300 VanDerWaalsContact O-CB 3.23Å; S296-K300 WeakPolarHBondContact O-CB 3.28Å; S296-K300 PolarHBondContact O-N 3.42Å; F297-K300 CarbonylContact O-C 3.59Å; F297-K300 PolarHBondContact O-N 3.34Å; K300-Q303 PolarHBondContact O-N 3.44Å; K300-L304 HydrophobicContact CG-CD1 4.2Å; K300-L304 WeakPolarHBondContact O-CB 3.4Å; K300-L304 VanDerWaalsContact O-CG 3.24Å; K300-L304 WeakPolarHBondContact O-CG 3.39Å; K300-L304 PolarHBondContact O-N 2.74Å; K300-E818 IonicContact NZ-OE1 2.85Å |
| 301 | I | 83.8 | Confident | 84 | Confident | 88 Ų | 88 | 101.6 Ų | 101.6 | 45% | 0.451 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.2 | -49.6 | 172.1 | -75.1 | 163.5 | 0 | 0 | 0 | 109.6 | F297 E299 Q303 L304 E305 | F297-I301 WeakPolarHBondContact O-CB 3.32Å; F297-I301 WeakPolarHBondContact O-CD1 3.48Å; F297-I301 WeakPolarHBondContact O-CG1 3.43Å; F297-I301 PolarHBondContact O-N 3.42Å; E299-I301 VanDerWaalsContact C-N 3.34Å; I301-Q303 VanDerWaalsContact C-N 3.28Å; I301-Q303 PolarHBondContact O-N 2.93Å; I301-L304 CarbonylContact O-C 3.59Å; I301-L304 WeakPolarHBondContact O-CA 3.37Å; I301-L304 WeakPolarHBondContact O-CB 3.48Å; I301-L304 PolarHBondContact O-N 3.4Å; I301-E305 HydrophobicContact CG2-CG 4.24Å; I301-E305 WeakPolarHBondContact O-CG 3.47Å; I301-E305 PolarHBondContact O-N 2.81Å |
| 302 | K | 86.3 | Confident | 84 | Confident | 99 Ų | 99 | 100 Ų | 100 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -37.1 | 175.6 | -71.4 | 159.8 | -168.4 | 156.2 | 0 | 112.7 | E298 E299 I306 | E298-K302 WeakPolarHBondContact O-CD 3.44Å; E298-K302 VanDerWaalsContact O-CG 3.28Å; E298-K302 WeakPolarHBondContact O-CG 3.4Å; E298-K302 PolarHBondContact O-N 3.42Å; E298-K302 IonicContact OE2-NZ 2.58Å; E298-K302 PolarHBondContact OE2-NZ 3.07Å; E299-K302 PolarHBondContact O-N 2.79Å; K302-I306 WeakPolarHBondContact O-CB 3.23Å; K302-I306 WeakPolarHBondContact O-CD1 3.27Å; K302-I306 VanDerWaalsContact O-CG1 3.24Å; K302-I306 WeakPolarHBondContact O-CG1 3.36Å; K302-I306 PolarHBondContact O-N 3.48Å |
| 303 | Q | 84.8 | Confident | 84.1 | Confident | 102 Ų | 102 | 100.7 Ų | 100.7 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.5 | -42 | 171.7 | -72 | 174.8 | 21.2 | 0 | 0 | 112.1 | E299 K300 I301 I306 I307 | E299-Q303 WeakPolarHBondContact O-CG 3.09Å; E299-Q303 PolarHBondContact O-N 2.85Å; K300-Q303 PolarHBondContact O-N 3.44Å; I301-Q303 VanDerWaalsContact C-N 3.28Å; I301-Q303 PolarHBondContact O-N 2.93Å; Q303-I306 PolarHBondContact O-N 3.47Å; Q303-I307 WeakPolarHBondContact O-CB 3.25Å; Q303-I307 WeakPolarHBondContact O-CD1 3.18Å; Q303-I307 VanDerWaalsContact O-CG1 3.24Å; Q303-I307 WeakPolarHBondContact O-CG1 3.04Å; Q303-I307 PolarHBondContact O-N 2.82Å |
| 304 | L | 82.9 | Confident | 84.3 | Confident | 92 Ų | 92 | 100.5 Ų | 100.5 | 48% | 0.482 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.9 | -36.1 | 176.3 | -73.5 | 167.6 | 0 | 0 | 0 | 112.3 | K300 I301 I307 D308 | K300-L304 HydrophobicContact CG-CD1 4.2Å; K300-L304 WeakPolarHBondContact O-CB 3.4Å; K300-L304 VanDerWaalsContact O-CG 3.24Å; K300-L304 WeakPolarHBondContact O-CG 3.39Å; K300-L304 PolarHBondContact O-N 2.74Å; I301-L304 CarbonylContact O-C 3.59Å; I301-L304 WeakPolarHBondContact O-CA 3.37Å; I301-L304 WeakPolarHBondContact O-CB 3.48Å; I301-L304 PolarHBondContact O-N 3.4Å; L304-I307 CarbonylContact O-C 3.53Å; L304-I307 PolarHBondContact O-N 3.32Å; L304-D308 VanDerWaalsContact O-CB 3.22Å; L304-D308 WeakPolarHBondContact O-CB 3.47Å; L304-D308 PolarHBondContact O-N 3.2Å |
| 305 | E | 85 | Confident | 84.4 | Confident | 113 Ų | 113 | 99.1 Ų | 99.1 | 53% | 0.528 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -65 | -41.9 | 172.2 | -71.6 | 173.4 | 149.3 | 0 | 0 | 111.3 | I301 D308 V309 | I301-E305 HydrophobicContact CG2-CG 4.24Å; I301-E305 WeakPolarHBondContact O-CG 3.47Å; I301-E305 PolarHBondContact O-N 2.81Å; E305-D308 PolarHBondContact O-N 3.03Å; E305-V309 WeakPolarHBondContact O-CB 3.46Å; E305-V309 VanDerWaalsContact O-CG2 3.32Å; E305-V309 WeakPolarHBondContact O-CG2 3.45Å; E305-V309 PolarHBondContact O-N 3.45Å |
| 306 | I | 86.1 | Confident | 84.5 | Confident | 100 Ų | 100 | 100 Ų | 100 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.1 | -42.2 | 174 | -70.6 | 165 | 0 | 0 | 0 | 110.7 | K302 Q303 Q310 | K302-I306 WeakPolarHBondContact O-CB 3.23Å; K302-I306 WeakPolarHBondContact O-CD1 3.27Å; K302-I306 VanDerWaalsContact O-CG1 3.24Å; K302-I306 WeakPolarHBondContact O-CG1 3.36Å; K302-I306 PolarHBondContact O-N 3.48Å; Q303-I306 PolarHBondContact O-N 3.47Å; I306-Q310 WeakPolarHBondContact O-CB 3.49Å; I306-Q310 VanDerWaalsContact O-CG 3.23Å; I306-Q310 WeakPolarHBondContact O-CG 3.38Å; I306-Q310 PolarHBondContact O-N 3.35Å |
| 307 | I | 86.3 | Confident | 84.7 | Confident | 80 Ų | 80 | 101.2 Ų | 101.2 | 41% | 0.41 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.6 | -39.8 | 176.3 | -70.2 | 164.7 | 0 | 0 | 0 | 110.8 | Q303 L304 Q310 K311 | Q303-I307 WeakPolarHBondContact O-CB 3.25Å; Q303-I307 WeakPolarHBondContact O-CD1 3.18Å; Q303-I307 VanDerWaalsContact O-CG1 3.24Å; Q303-I307 WeakPolarHBondContact O-CG1 3.04Å; Q303-I307 PolarHBondContact O-N 2.82Å; L304-I307 CarbonylContact O-C 3.53Å; L304-I307 PolarHBondContact O-N 3.32Å; I307-Q310 CarbonylContact O-C 3.58Å; I307-Q310 WeakPolarHBondContact O-CB 3.41Å; I307-Q310 PolarHBondContact O-N 3.13Å; I307-K311 HydrophobicContact CG2-CG 4.15Å; I307-K311 WeakPolarHBondContact O-CB 3.44Å; I307-K311 VanDerWaalsContact O-CG 3.28Å; I307-K311 WeakPolarHBondContact O-CG 3.1Å; I307-K311 PolarHBondContact O-N 3.03Å |
| 308 | D | 85.6 | Confident | 84.9 | Confident | 106 Ų | 106 | 100.1 Ų | 100.1 | 57% | 0.567 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.5 | -44.8 | 178 | -170.1 | 64.6 | 0 | 0 | 0 | 110.9 | L304 E305 Q310 K311 Q312 | L304-D308 VanDerWaalsContact O-CB 3.22Å; L304-D308 WeakPolarHBondContact O-CB 3.47Å; L304-D308 PolarHBondContact O-N 3.2Å; E305-D308 PolarHBondContact O-N 3.03Å; D308-Q310 VanDerWaalsContact C-N 3.29Å; D308-Q310 PolarHBondContact O-N 2.72Å; D308-K311 CarbonylContact O-C 3.53Å; D308-K311 PolarHBondContact O-N 3.11Å; D308-K311 VanDerWaalsContact O-N 3.15Å; D308-Q312 VanDerWaalsContact O-CB 3.22Å; D308-Q312 WeakPolarHBondContact O-CB 3.36Å; D308-Q312 PolarHBondContact O-N 3.06Å |
| 309 | V | 87 | Confident | 85 | Confident | 76 Ų | 76 | 98.4 Ų | 98.4 | 46% | 0.461 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -62 | -35 | 172 | 170.7 | 0 | 0 | 0 | 0 | 112 | E305 R313 | E305-V309 WeakPolarHBondContact O-CB 3.46Å; E305-V309 VanDerWaalsContact O-CG2 3.32Å; E305-V309 WeakPolarHBondContact O-CG2 3.45Å; E305-V309 PolarHBondContact O-N 3.45Å; V309-R313 VanDerWaalsContact O-CG 3.29Å; V309-R313 WeakPolarHBondContact O-CG 3.24Å; V309-R313 PolarHBondContact O-N 2.92Å; V309-R313 VanDerWaalsContact O-N 3.14Å |
| 310 | Q | 85.3 | Confident | 85.1 | Confident | 103 Ų | 103 | 97.2 Ų | 97.2 | 48% | 0.481 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -69 | -42.8 | 172.5 | -75.6 | 173 | 9.7 | 0 | 0 | 112.1 | I306 I307 D308 R313 E314 | I306-Q310 WeakPolarHBondContact O-CB 3.49Å; I306-Q310 VanDerWaalsContact O-CG 3.23Å; I306-Q310 WeakPolarHBondContact O-CG 3.38Å; I306-Q310 PolarHBondContact O-N 3.35Å; I307-Q310 CarbonylContact O-C 3.58Å; I307-Q310 WeakPolarHBondContact O-CB 3.41Å; I307-Q310 PolarHBondContact O-N 3.13Å; D308-Q310 VanDerWaalsContact C-N 3.29Å; D308-Q310 PolarHBondContact O-N 2.72Å; Q310-R313 PolarHBondContact O-N 2.96Å; Q310-E314 PolarHBondContact O-N 2.81Å |
| 311 | K | 83.9 | Confident | 85.2 | Confident | 99 Ų | 99 | 96.6 Ų | 96.6 | 43% | 0.43 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -72.6 | -32.4 | 179.3 | -68.8 | -63.6 | 168.8 | -151.7 | 0 | 112.7 | I307 D308 E314 V315 | I307-K311 HydrophobicContact CG2-CG 4.15Å; I307-K311 WeakPolarHBondContact O-CB 3.44Å; I307-K311 VanDerWaalsContact O-CG 3.28Å; I307-K311 WeakPolarHBondContact O-CG 3.1Å; I307-K311 PolarHBondContact O-N 3.03Å; D308-K311 CarbonylContact O-C 3.53Å; D308-K311 PolarHBondContact O-N 3.11Å; D308-K311 VanDerWaalsContact O-N 3.15Å; K311-E314 WeakPolarHBondContact CD-OE2 3.41Å; K311-E314 IonicContact NZ-OE1 2.64Å; K311-E314 PolarHBondContact NZ-OE1 3.33Å; K311-E314 IonicContact NZ-OE2 2.71Å; K311-E314 PolarHBondContact NZ-OE2 3.18Å; K311-E314 PolarHBondContact O-N 3.22Å; K311-V315 WeakPolarHBondContact O-CB 3.46Å; K311-V315 VanDerWaalsContact O-CG2 3.26Å; K311-V315 WeakPolarHBondContact O-CG2 3.28Å; K311-V315 PolarHBondContact O-N 2.94Å |
| 312 | Q | 84 | Confident | 85.2 | Confident | 100 Ų | 100 | 97 Ų | 97 | 47% | 0.467 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.4 | -42.2 | 170.1 | -170.7 | 66.1 | 7 | 0 | 0 | 110.5 | D308 V315 E316 | D308-Q312 VanDerWaalsContact O-CB 3.22Å; D308-Q312 WeakPolarHBondContact O-CB 3.36Å; D308-Q312 PolarHBondContact O-N 3.06Å; Q312-V315 CarbonylContact O-C 3.58Å; Q312-V315 PolarHBondContact O-N 3.43Å; Q312-E316 WeakPolarHBondContact O-CB 3.38Å; Q312-E316 WeakPolarHBondContact O-CG 3.28Å; Q312-E316 PolarHBondContact O-N 3.4Å |
| 313 | R | 86.3 | Confident | 85.1 | Confident | 155 Ų | 155 | 95.7 Ų | 95.7 | 59% | 0.585 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -66.1 | -38.4 | 171.6 | -73.4 | 173.9 | -175.8 | 175.3 | 4.4 | 113 | V309 Q310 V315 E316 N317 | V309-R313 VanDerWaalsContact O-CG 3.29Å; V309-R313 WeakPolarHBondContact O-CG 3.24Å; V309-R313 PolarHBondContact O-N 2.92Å; V309-R313 VanDerWaalsContact O-N 3.14Å; Q310-R313 PolarHBondContact O-N 2.96Å; R313-V315 VanDerWaalsContact C-N 3.34Å; R313-E316 PolarHBondContact O-N 3.3Å; R313-N317 WeakPolarHBondContact O-CB 3.33Å; R313-N317 PolarHBondContact O-N 3.47Å; R313-N317 PolarHBondContact O-ND2 3.39Å |
| 314 | E | 83.8 | Confident | 85.3 | Confident | 85 Ų | 85 | 95.3 Ų | 95.3 | 40% | 0.397 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -62.3 | -41 | 170.9 | -77.2 | 177 | -149 | 0 | 0 | 111.3 | Q310 K311 N317 L318 | Q310-E314 PolarHBondContact O-N 2.81Å; K311-E314 WeakPolarHBondContact CD-OE2 3.41Å; K311-E314 IonicContact NZ-OE1 2.64Å; K311-E314 PolarHBondContact NZ-OE1 3.33Å; K311-E314 IonicContact NZ-OE2 2.71Å; K311-E314 PolarHBondContact NZ-OE2 3.18Å; K311-E314 PolarHBondContact O-N 3.22Å; E314-N317 PolarHBondContact O-N 2.92Å; E314-L318 WeakPolarHBondContact O-CB 3.31Å; E314-L318 WeakPolarHBondContact O-CG 3.48Å; E314-L318 PolarHBondContact O-N 2.86Å |
| 315 | V | 84.2 | Confident | 85.2 | Confident | 84 Ų | 84 | 93 Ų | 93 | 51% | 0.509 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.7 | -37.2 | 176.7 | 166.6 | 0 | 0 | 0 | 0 | 111.6 | K311 Q312 R313 S319 | K311-V315 WeakPolarHBondContact O-CB 3.46Å; K311-V315 VanDerWaalsContact O-CG2 3.26Å; K311-V315 WeakPolarHBondContact O-CG2 3.28Å; K311-V315 PolarHBondContact O-N 2.94Å; Q312-V315 CarbonylContact O-C 3.58Å; Q312-V315 PolarHBondContact O-N 3.43Å; R313-V315 VanDerWaalsContact C-N 3.34Å; V315-S319 WeakPolarHBondContact O-CA 3.42Å; V315-S319 WeakPolarHBondContact O-CB 3.49Å; V315-S319 PolarHBondContact O-N 2.97Å |
| 316 | E | 85.5 | Confident | 85.1 | Confident | 111 Ų | 111 | 92.3 Ų | 92.3 | 52% | 0.519 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 172.8 | -76.2 | 174.8 | 171 | 0 | 0 | 111.6 | Q312 R313 S319 M320 | Q312-E316 WeakPolarHBondContact O-CB 3.38Å; Q312-E316 WeakPolarHBondContact O-CG 3.28Å; Q312-E316 PolarHBondContact O-N 3.4Å; R313-E316 PolarHBondContact O-N 3.3Å; E316-S319 PolarHBondContact O-N 3.26Å; E316-M320 WeakPolarHBondContact O-CB 3.47Å; E316-M320 PolarHBondContact O-N 3.16Å |
| 317 | N | 85.8 | Confident | 85.1 | Confident | 90 Ų | 90 | 94.4 Ų | 94.4 | 48% | 0.481 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -62.7 | -50.8 | 174.4 | -72 | -25.9 | 0 | 0 | 0 | 111.2 | R313 E314 S319 M320 D321 | R313-N317 WeakPolarHBondContact O-CB 3.33Å; R313-N317 PolarHBondContact O-N 3.47Å; R313-N317 PolarHBondContact O-ND2 3.39Å; E314-N317 PolarHBondContact O-N 2.92Å; N317-S319 PolarHBondContact O-N 3.24Å; N317-M320 CarbonylContact O-C 3.52Å; N317-M320 WeakPolarHBondContact O-CA 3.39Å; N317-M320 WeakPolarHBondContact O-CB 3.37Å; N317-M320 PolarHBondContact O-N 2.99Å; N317-D321 WeakPolarHBondContact O-CB 3.38Å; N317-D321 VanDerWaalsContact O-CG 3.3Å; N317-D321 PolarHBondContact O-N 3.42Å |
| 318 | L | 85.2 | Confident | 85.1 | Confident | 108 Ų | 108 | 96.4 Ų | 96.4 | 57% | 0.565 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -63.2 | -29.3 | 176.8 | -72.4 | 169.4 | 0 | 0 | 0 | 112.3 | E314 L322 | E314-L318 WeakPolarHBondContact O-CB 3.31Å; E314-L318 WeakPolarHBondContact O-CG 3.48Å; E314-L318 PolarHBondContact O-N 2.86Å; L318-L322 WeakPolarHBondContact O-CB 3.46Å; L318-L322 PolarHBondContact O-N 2.95Å |
| 319 | S | 85.1 | Confident | 85 | Confident | 55 Ų | 55 | 94.9 Ų | 94.9 | 39% | 0.385 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.9 | -41.6 | 171.7 | -177.7 | 0 | 0 | 0 | 0 | 111.2 | V315 E316 N317 N323 | V315-S319 WeakPolarHBondContact O-CA 3.42Å; V315-S319 WeakPolarHBondContact O-CB 3.49Å; V315-S319 PolarHBondContact O-N 2.97Å; E316-S319 PolarHBondContact O-N 3.26Å; N317-S319 PolarHBondContact O-N 3.24Å; S319-N323 VanDerWaalsContact O-CB 3.3Å; S319-N323 WeakPolarHBondContact O-CB 3.41Å; S319-N323 PolarHBondContact O-N 3.43Å; S319-N323 PolarHBondContact O-ND2 2.92Å |
| 320 | M | 86.1 | Confident | 85 | Confident | 101 Ų | 101 | 95.5 Ų | 95.5 | 50% | 0.498 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.8 | -46.9 | 173.6 | -172 | 176.7 | 64.6 | 0 | 0 | 111.2 | E316 N317 N323 Q324 | E316-M320 WeakPolarHBondContact O-CB 3.47Å; E316-M320 PolarHBondContact O-N 3.16Å; N317-M320 CarbonylContact O-C 3.52Å; N317-M320 WeakPolarHBondContact O-CA 3.39Å; N317-M320 WeakPolarHBondContact O-CB 3.37Å; N317-M320 PolarHBondContact O-N 2.99Å; M320-N323 CarbonylContact O-C 3.6Å; M320-N323 PolarHBondContact O-N 3.45Å; M320-N323 VanDerWaalsContact O-N 3.15Å; M320-Q324 WeakPolarHBondContact O-CG 3.22Å; M320-Q324 PolarHBondContact O-N 2.78Å |
| 321 | D | 86.3 | Confident | 85.1 | Confident | 82 Ų | 82 | 97 Ų | 97 | 44% | 0.439 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.3 | -42.1 | 176.7 | -66.9 | -20.6 | 0 | 0 | 0 | 111.3 | N317 N323 Q324 A325 | N317-D321 WeakPolarHBondContact O-CB 3.38Å; N317-D321 VanDerWaalsContact O-CG 3.3Å; N317-D321 PolarHBondContact O-N 3.42Å; D321-N323 VanDerWaalsContact C-N 3.27Å; D321-N323 PolarHBondContact O-N 2.81Å; D321-Q324 PolarHBondContact O-N 3.25Å; D321-A325 VanDerWaalsContact O-CB 3.23Å; D321-A325 WeakPolarHBondContact O-CB 3.1Å; D321-A325 PolarHBondContact O-N 3.42Å |
| 322 | L | 84.5 | Confident | 85 | Confident | 95 Ų | 95 | 95.3 Ų | 95.3 | 50% | 0.497 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.1 | -34 | 173.1 | 176.1 | 63.2 | 0 | 0 | 0 | 111.7 | L318 K326 | L318-L322 WeakPolarHBondContact O-CB 3.46Å; L318-L322 PolarHBondContact O-N 2.95Å; L322-K326 WeakPolarHBondContact O-CB 3.42Å; L322-K326 WeakPolarHBondContact O-CG 3.5Å; L322-K326 PolarHBondContact O-N 2.72Å |
| 323 | N | 84.5 | Confident | 85.1 | Confident | 72 Ų | 72 | 98.8 Ų | 98.8 | 39% | 0.385 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -76.6 | -39.1 | 176.4 | -68.6 | -27.5 | 0 | 0 | 0 | 111.8 | S319 M320 D321 A325 K326 E327 | S319-N323 VanDerWaalsContact O-CB 3.3Å; S319-N323 WeakPolarHBondContact O-CB 3.41Å; S319-N323 PolarHBondContact O-N 3.43Å; S319-N323 PolarHBondContact O-ND2 2.92Å; M320-N323 CarbonylContact O-C 3.6Å; M320-N323 PolarHBondContact O-N 3.45Å; M320-N323 VanDerWaalsContact O-N 3.15Å; D321-N323 VanDerWaalsContact C-N 3.27Å; D321-N323 PolarHBondContact O-N 2.81Å; N323-A325 VanDerWaalsContact C-N 3.34Å; N323-A325 PolarHBondContact O-N 2.87Å; N323-K326 WeakPolarHBondContact O-CB 3.39Å; N323-K326 PolarHBondContact O-N 2.7Å; N323-K326 PolarHBondContact OD1-NZ 3.44Å; N323-E327 PolarHBondContact O-N 2.86Å |
| 324 | Q | 87 | Confident | 85.2 | Confident | 95 Ų | 95 | 97.4 Ų | 97.4 | 44% | 0.444 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -60.9 | -42.6 | 168.4 | -70.8 | -170.8 | 23.1 | 0 | 0 | 111.3 | M320 D321 E327 Q328 | M320-Q324 WeakPolarHBondContact O-CG 3.22Å; M320-Q324 PolarHBondContact O-N 2.78Å; D321-Q324 PolarHBondContact O-N 3.25Å; Q324-E327 PolarHBondContact O-N 3.29Å; Q324-Q328 WeakPolarHBondContact O-CB 3.32Å; Q324-Q328 VanDerWaalsContact O-CG 3.3Å; Q324-Q328 WeakPolarHBondContact O-CG 3.36Å; Q324-Q328 PolarHBondContact O-N 2.75Å |
| 325 | A | 81.4 | Confident | 85.3 | Confident | 42 Ų | 42 | 95.9 Ų | 95.9 | 35% | 0.347 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -64.1 | -39.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | D321 N323 Q328 V329 | D321-A325 VanDerWaalsContact O-CB 3.23Å; D321-A325 WeakPolarHBondContact O-CB 3.1Å; D321-A325 PolarHBondContact O-N 3.42Å; N323-A325 VanDerWaalsContact C-N 3.34Å; N323-A325 PolarHBondContact O-N 2.87Å; A325-Q328 PolarHBondContact O-N 3.45Å; A325-V329 WeakPolarHBondContact O-CB 3.5Å; A325-V329 VanDerWaalsContact O-CG2 3.24Å; A325-V329 WeakPolarHBondContact O-CG2 3.21Å; A325-V329 PolarHBondContact O-N 3.17Å |
| 326 | K | 84 | Confident | 85 | Confident | 100 Ų | 100 | 97.2 Ų | 97.2 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.2 | -44.7 | 170.8 | -75.6 | 164.8 | -165.8 | 155.1 | 0 | 111.5 | L322 N323 V329 I330 | L322-K326 WeakPolarHBondContact O-CB 3.42Å; L322-K326 WeakPolarHBondContact O-CG 3.5Å; L322-K326 PolarHBondContact O-N 2.72Å; N323-K326 WeakPolarHBondContact O-CB 3.39Å; N323-K326 PolarHBondContact O-N 2.7Å; N323-K326 PolarHBondContact OD1-NZ 3.44Å; K326-V329 PolarHBondContact O-N 3.03Å; K326-I330 WeakPolarHBondContact O-CB 3.25Å; K326-I330 WeakPolarHBondContact O-CD1 3.45Å; K326-I330 WeakPolarHBondContact O-CG1 3.19Å; K326-I330 PolarHBondContact O-N 3.27Å |
| 327 | E | 85.2 | Confident | 85 | Confident | 143 Ų | 143 | 98.6 Ų | 98.6 | 67% | 0.668 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.7 | -42.6 | 177 | -73.1 | -166.4 | 154.4 | 0 | 0 | 112 | N323 Q324 V329 I330 H331 | N323-E327 PolarHBondContact O-N 2.86Å; Q324-E327 PolarHBondContact O-N 3.29Å; E327-V329 PolarHBondContact O-N 2.89Å; E327-I330 PolarHBondContact O-N 2.92Å; E327-H331 WeakPolarHBondContact O-CB 3.48Å; E327-H331 PolarHBondContact O-N 2.92Å |
| 328 | Q | 86.5 | Confident | 85.1 | Confident | 123 Ų | 123 | 98.8 Ų | 98.8 | 58% | 0.575 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.8 | -39 | 173.3 | -71.9 | 177.2 | 21.6 | 0 | 0 | 112 | Q324 A325 H331 S332 | Q324-Q328 WeakPolarHBondContact O-CB 3.32Å; Q324-Q328 VanDerWaalsContact O-CG 3.3Å; Q324-Q328 WeakPolarHBondContact O-CG 3.36Å; Q324-Q328 PolarHBondContact O-N 2.75Å; A325-Q328 PolarHBondContact O-N 3.45Å; Q328-H331 PolarHBondContact O-N 3.36Å; Q328-S332 WeakPolarHBondContact O-CB 3.44Å; Q328-S332 PolarHBondContact O-N 2.85Å; Q328-S332 PolarHBondContact O-OG 2.95Å |
| 329 | V | 84.5 | Confident | 85 | Confident | 73 Ų | 73 | 98 Ų | 98 | 44% | 0.442 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -69.4 | -37.5 | 174.2 | 166.8 | 0 | 0 | 0 | 0 | 111.5 | A325 K326 E327 R333 | A325-V329 WeakPolarHBondContact O-CB 3.5Å; A325-V329 VanDerWaalsContact O-CG2 3.24Å; A325-V329 WeakPolarHBondContact O-CG2 3.21Å; A325-V329 PolarHBondContact O-N 3.17Å; K326-V329 PolarHBondContact O-N 3.03Å; E327-V329 PolarHBondContact O-N 2.89Å; V329-R333 HydrophobicContact CG1-CG 4.47Å; V329-R333 VanDerWaalsContact O-CB 3.26Å; V329-R333 WeakPolarHBondContact O-CB 3.3Å; V329-R333 VanDerWaalsContact O-CG 3.25Å; V329-R333 WeakPolarHBondContact O-CG 3.26Å; V329-R333 PolarHBondContact O-N 3.3Å |
| 330 | I | 86.2 | Confident | 85 | Confident | 89 Ų | 89 | 102.1 Ų | 102.1 | 46% | 0.456 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.7 | -42.3 | 173.8 | -71.9 | 163.1 | 0 | 0 | 0 | 110.6 | K326 E327 R333 K334 | K326-I330 WeakPolarHBondContact O-CB 3.25Å; K326-I330 WeakPolarHBondContact O-CD1 3.45Å; K326-I330 WeakPolarHBondContact O-CG1 3.19Å; K326-I330 PolarHBondContact O-N 3.27Å; E327-I330 PolarHBondContact O-N 2.92Å; I330-R333 PolarHBondContact O-N 3.3Å; I330-K334 HydrophobicContact CG2-CD 4.36Å; I330-K334 WeakPolarHBondContact O-CG 3.33Å; I330-K334 PolarHBondContact O-N 3.42Å |
| 331 | H | 87.1 | Confident | 84.9 | Confident | 136 Ų | 136 | 100.3 Ų | 100.3 | 63% | 0.63 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.3 | -44.5 | 175.6 | -170.4 | 87 | 0 | 0 | 0 | 111.2 | E327 Q328 R333 K334 S335 | E327-H331 WeakPolarHBondContact O-CB 3.48Å; E327-H331 PolarHBondContact O-N 2.92Å; Q328-H331 PolarHBondContact O-N 3.36Å; H331-R333 PolarHBondContact O-N 3.08Å; H331-K334 PolarHBondContact O-N 2.84Å; H331-S335 WeakPolarHBondContact O-CB 3.5Å; H331-S335 PolarHBondContact O-N 3.28Å |
| 332 | S | 82.7 | Confident | 84.9 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 43% | 0.434 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.2 | -37 | 176 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | Q328 S335 L336 | Q328-S332 WeakPolarHBondContact O-CB 3.44Å; Q328-S332 PolarHBondContact O-N 2.85Å; Q328-S332 PolarHBondContact O-OG 2.95Å; S332-S335 PolarHBondContact O-N 3.31Å; S332-L336 WeakPolarHBondContact O-CB 3.37Å; S332-L336 VanDerWaalsContact O-CG 3.28Å; S332-L336 WeakPolarHBondContact O-CG 3.38Å; S332-L336 PolarHBondContact O-N 3.39Å |
| 333 | R | 86.1 | Confident | 85 | Confident | 174 Ų | 174 | 101 Ų | 101 | 66% | 0.657 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.2 | -44.9 | 172.3 | -80.8 | 177.1 | 176.1 | -178.3 | -0.6 | 111.9 | V329 I330 H331 S335 L336 E337 | V329-R333 HydrophobicContact CG1-CG 4.47Å; V329-R333 VanDerWaalsContact O-CB 3.26Å; V329-R333 WeakPolarHBondContact O-CB 3.3Å; V329-R333 VanDerWaalsContact O-CG 3.25Å; V329-R333 WeakPolarHBondContact O-CG 3.26Å; V329-R333 PolarHBondContact O-N 3.3Å; I330-R333 PolarHBondContact O-N 3.3Å; H331-R333 PolarHBondContact O-N 3.08Å; R333-S335 VanDerWaalsContact C-N 3.33Å; R333-S335 PolarHBondContact O-N 3.47Å; R333-L336 PolarHBondContact O-N 2.81Å; R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.36Å; R333-E337 PolarHBondContact O-N 3.43Å |
| 334 | K | 86.8 | Confident | 85 | Confident | 126 Ų | 126 | 100.7 Ų | 100.7 | 55% | 0.548 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.7 | -40.8 | 173.9 | -73.1 | 173.9 | 179.9 | 179.7 | 0 | 111.7 | I330 H331 E337 I338 | I330-K334 HydrophobicContact CG2-CD 4.36Å; I330-K334 WeakPolarHBondContact O-CG 3.33Å; I330-K334 PolarHBondContact O-N 3.42Å; H331-K334 PolarHBondContact O-N 2.84Å; K334-E337 PolarHBondContact O-N 3.49Å; K334-I338 WeakPolarHBondContact O-CB 3.24Å; K334-I338 WeakPolarHBondContact O-CD1 3.48Å; K334-I338 VanDerWaalsContact O-CG1 3.26Å; K334-I338 WeakPolarHBondContact O-CG1 3.44Å; K334-I338 PolarHBondContact O-N 3.11Å |
| 335 | S | 85.9 | Confident | 85 | Confident | 53 Ų | 53 | 98.7 Ų | 98.7 | 37% | 0.371 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.7 | -45 | 174.8 | -172.9 | 0 | 0 | 0 | 0 | 111.8 | H331 S332 R333 E337 I338 L339 | H331-S335 WeakPolarHBondContact O-CB 3.5Å; H331-S335 PolarHBondContact O-N 3.28Å; S332-S335 PolarHBondContact O-N 3.31Å; R333-S335 VanDerWaalsContact C-N 3.33Å; R333-S335 PolarHBondContact O-N 3.47Å; S335-E337 PolarHBondContact O-N 2.99Å; S335-I338 PolarHBondContact O-N 3.33Å; S335-L339 WeakPolarHBondContact O-CB 3.31Å; S335-L339 VanDerWaalsContact O-CG 3.28Å; S335-L339 WeakPolarHBondContact O-CG 3.47Å; S335-L339 PolarHBondContact O-N 3.27Å |
| 336 | L | 79.6 | Confident | 85 | Confident | 111 Ų | 111 | 99.5 Ų | 99.5 | 58% | 0.581 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.2 | -37.7 | 173.6 | -77.6 | 168.3 | 0 | 0 | 0 | 112.7 | S332 R333 L339 Q340 | S332-L336 WeakPolarHBondContact O-CB 3.37Å; S332-L336 VanDerWaalsContact O-CG 3.28Å; S332-L336 WeakPolarHBondContact O-CG 3.38Å; S332-L336 PolarHBondContact O-N 3.39Å; R333-L336 PolarHBondContact O-N 2.81Å; L336-L339 PolarHBondContact O-N 3.12Å; L336-Q340 WeakPolarHBondContact O-CB 3.39Å; L336-Q340 PolarHBondContact O-N 3.24Å |
| 337 | E | 84.8 | Confident | 85.2 | Confident | 140 Ų | 140 | 102.1 Ų | 102.1 | 65% | 0.654 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.9 | -40.8 | 177.7 | -171.6 | 167.6 | -135.4 | 0 | 0 | 111.4 | R333 K334 S335 Q340 S341 | R333-E337 VanDerWaalsContact O-CB 3.28Å; R333-E337 WeakPolarHBondContact O-CB 3.36Å; R333-E337 PolarHBondContact O-N 3.43Å; K334-E337 PolarHBondContact O-N 3.49Å; S335-E337 PolarHBondContact O-N 2.99Å; E337-Q340 PolarHBondContact O-N 3.14Å; E337-S341 WeakPolarHBondContact O-CB 3.47Å; E337-S341 PolarHBondContact O-N 3.21Å |
| 338 | I | 87.1 | Confident | 85.1 | Confident | 95 Ų | 95 | 98.5 Ų | 98.5 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61 | -54.3 | 169.4 | -69 | 163.9 | 0 | 0 | 0 | 110 | K334 S335 Q340 S341 E342 | K334-I338 WeakPolarHBondContact O-CB 3.24Å; K334-I338 WeakPolarHBondContact O-CD1 3.48Å; K334-I338 VanDerWaalsContact O-CG1 3.26Å; K334-I338 WeakPolarHBondContact O-CG1 3.44Å; K334-I338 PolarHBondContact O-N 3.11Å; S335-I338 PolarHBondContact O-N 3.33Å; I338-Q340 VanDerWaalsContact C-N 3.26Å; I338-Q340 PolarHBondContact O-N 3.01Å; I338-S341 CarbonylContact O-C 3.56Å; I338-S341 WeakPolarHBondContact O-CA 3.28Å; I338-S341 WeakPolarHBondContact O-CB 3.49Å; I338-S341 PolarHBondContact O-N 3.23Å; I338-S341 PolarHBondContact O-OG 2.93Å; I338-E342 HydrophobicContact CG2-CG 4.41Å; I338-E342 WeakPolarHBondContact O-CG 3.46Å; I338-E342 PolarHBondContact O-N 3.45Å |
| 339 | L | 83.5 | Confident | 85.1 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 48% | 0.482 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.2 | -32.5 | 178.7 | -75.2 | 166.8 | 0 | 0 | 0 | 112.7 | S335 L336 L343 | S335-L339 WeakPolarHBondContact O-CB 3.31Å; S335-L339 VanDerWaalsContact O-CG 3.28Å; S335-L339 WeakPolarHBondContact O-CG 3.47Å; S335-L339 PolarHBondContact O-N 3.27Å; L336-L339 PolarHBondContact O-N 3.12Å; L339-L343 WeakPolarHBondContact O-CB 3.49Å; L339-L343 PolarHBondContact O-N 3.42Å |
| 340 | Q | 86.2 | Confident | 84.9 | Confident | 141 Ų | 141 | 100.4 Ų | 100.4 | 66% | 0.659 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -73.1 | -36 | 174.9 | -176.3 | 169.3 | -10.9 | 0 | 0 | 111.2 | L336 E337 I338 S344 | L336-Q340 WeakPolarHBondContact O-CB 3.39Å; L336-Q340 PolarHBondContact O-N 3.24Å; E337-Q340 PolarHBondContact O-N 3.14Å; I338-Q340 VanDerWaalsContact C-N 3.26Å; I338-Q340 PolarHBondContact O-N 3.01Å; Q340-S344 WeakPolarHBondContact O-CB 3.21Å; Q340-S344 PolarHBondContact O-N 3.02Å |
| 341 | S | 83.5 | Confident | 84.9 | Confident | 63 Ų | 63 | 100.9 Ų | 100.9 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 170.1 | 85.4 | 0 | 0 | 0 | 0 | 111.4 | E337 I338 S344 S345 | E337-S341 WeakPolarHBondContact O-CB 3.47Å; E337-S341 PolarHBondContact O-N 3.21Å; I338-S341 CarbonylContact O-C 3.56Å; I338-S341 WeakPolarHBondContact O-CA 3.28Å; I338-S341 WeakPolarHBondContact O-CB 3.49Å; I338-S341 PolarHBondContact O-N 3.23Å; I338-S341 PolarHBondContact O-OG 2.93Å; S341-S344 PolarHBondContact O-N 3.11Å; S341-S344 PolarHBondContact O-OG 3.1Å; S341-S345 WeakPolarHBondContact O-CB 3.47Å; S341-S345 PolarHBondContact O-N 3.34Å |
| 342 | E | 86.9 | Confident | 84.9 | Confident | 103 Ų | 103 | 101 Ų | 101 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 176.2 | -70.7 | -177.4 | 162.3 | 0 | 0 | 112 | I338 S345 S346 | I338-E342 HydrophobicContact CG2-CG 4.41Å; I338-E342 WeakPolarHBondContact O-CG 3.46Å; I338-E342 PolarHBondContact O-N 3.45Å; E342-S345 PolarHBondContact O-N 3.36Å; E342-S346 WeakPolarHBondContact O-CB 3.4Å; E342-S346 PolarHBondContact O-N 2.96Å; E342-S346 PolarHBondContact O-OG 3.21Å |
| 343 | L | 85.6 | Confident | 84.8 | Confident | 87 Ų | 87 | 100.3 Ų | 100.3 | 46% | 0.455 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67 | -37.3 | 172.9 | -177.7 | 65.3 | 0 | 0 | 0 | 111.3 | L339 R347 | L339-L343 WeakPolarHBondContact O-CB 3.49Å; L339-L343 PolarHBondContact O-N 3.42Å; L343-R347 HydrophobicContact CD1-CG 4.46Å; L343-R347 WeakPolarHBondContact O-CB 3.43Å; L343-R347 WeakPolarHBondContact O-CG 3.24Å; L343-R347 PolarHBondContact O-N 2.89Å |
| 344 | S | 84.3 | Confident | 84.9 | Confident | 66 Ų | 66 | 101 Ų | 101 | 46% | 0.462 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.6 | -39.7 | 174.8 | 81.4 | 0 | 0 | 0 | 0 | 111.9 | Q340 S341 T348 | Q340-S344 WeakPolarHBondContact O-CB 3.21Å; Q340-S344 PolarHBondContact O-N 3.02Å; S341-S344 PolarHBondContact O-N 3.11Å; S341-S344 PolarHBondContact O-OG 3.1Å; S344-T348 WeakPolarHBondContact O-CB 3.3Å; S344-T348 PolarHBondContact O-N 3.28Å; S344-T348 PolarHBondContact O-OG1 3.42Å |
| 345 | S | 86.4 | Confident | 84.8 | Confident | 54 Ų | 54 | 99.3 Ų | 99.3 | 38% | 0.378 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.4 | -48.4 | 173.8 | -175.2 | 0 | 0 | 0 | 0 | 110.6 | S341 E342 R347 T348 M349 | S341-S345 WeakPolarHBondContact O-CB 3.47Å; S341-S345 PolarHBondContact O-N 3.34Å; E342-S345 PolarHBondContact O-N 3.36Å; S345-R347 PolarHBondContact O-N 2.91Å; S345-T348 CarbonylContact O-C 3.59Å; S345-T348 WeakPolarHBondContact O-CA 3.32Å; S345-T348 WeakPolarHBondContact O-CB 3.45Å; S345-T348 PolarHBondContact O-N 3.49Å; S345-T348 VanDerWaalsContact O-N 3.08Å; S345-M349 WeakPolarHBondContact O-CG 3.45Å; S345-M349 PolarHBondContact O-N 3.42Å |
| 346 | S | 83 | Confident | 84.8 | Confident | 58 Ų | 58 | 101.2 Ų | 101.2 | 41% | 0.406 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.7 | -41.5 | 177.2 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | E342 T348 M349 L350 | E342-S346 WeakPolarHBondContact O-CB 3.4Å; E342-S346 PolarHBondContact O-N 2.96Å; E342-S346 PolarHBondContact O-OG 3.21Å; S346-T348 VanDerWaalsContact C-N 3.32Å; S346-T348 PolarHBondContact O-N 2.93Å; S346-M349 PolarHBondContact O-N 2.86Å; S346-L350 WeakPolarHBondContact O-CB 3.21Å; S346-L350 VanDerWaalsContact O-CG 3.27Å; S346-L350 WeakPolarHBondContact O-CG 3.4Å; S346-L350 PolarHBondContact O-N 2.85Å |
| 347 | R | 86.8 | Confident | 85 | Confident | 155 Ų | 155 | 101 Ų | 101 | 59% | 0.585 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -61.3 | -40.6 | 170.7 | -78 | 172.3 | 177.3 | -176.9 | 0.3 | 111.3 | L343 S345 L350 I351 | L343-R347 HydrophobicContact CD1-CG 4.46Å; L343-R347 WeakPolarHBondContact O-CB 3.43Å; L343-R347 WeakPolarHBondContact O-CG 3.24Å; L343-R347 PolarHBondContact O-N 2.89Å; S345-R347 PolarHBondContact O-N 2.91Å; R347-L350 PolarHBondContact O-N 3.38Å; R347-I351 WeakPolarHBondContact O-CB 3.35Å; R347-I351 WeakPolarHBondContact O-CD1 3.49Å; R347-I351 VanDerWaalsContact O-CG1 3.24Å; R347-I351 WeakPolarHBondContact O-CG1 3.3Å; R347-I351 PolarHBondContact O-N 3.49Å |
| 348 | T | 84.5 | Confident | 85 | Confident | 68 Ų | 68 | 98.7 Ų | 98.7 | 42% | 0.417 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.1 | -39 | 175.9 | -57.6 | 0 | 0 | 0 | 0 | 111.8 | S344 S345 S346 I351 K352 | S344-T348 WeakPolarHBondContact O-CB 3.3Å; S344-T348 PolarHBondContact O-N 3.28Å; S344-T348 PolarHBondContact O-OG1 3.42Å; S345-T348 CarbonylContact O-C 3.59Å; S345-T348 WeakPolarHBondContact O-CA 3.32Å; S345-T348 WeakPolarHBondContact O-CB 3.45Å; S345-T348 PolarHBondContact O-N 3.49Å; S345-T348 VanDerWaalsContact O-N 3.08Å; S346-T348 VanDerWaalsContact C-N 3.32Å; S346-T348 PolarHBondContact O-N 2.93Å; T348-I351 PolarHBondContact O-N 3.25Å; T348-K352 HydrophobicContact CG2-CD 4.44Å; T348-K352 WeakPolarHBondContact O-CB 3.24Å; T348-K352 WeakPolarHBondContact O-CG 3.5Å; T348-K352 PolarHBondContact O-N 3.32Å |
| 349 | M | 85.1 | Confident | 84.9 | Confident | 121 Ų | 121 | 99.8 Ų | 99.8 | 60% | 0.596 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.3 | -38.5 | 172.5 | -67.1 | -166.5 | -145.7 | 0 | 0 | 112.2 | S345 S346 K352 S353 | S345-M349 WeakPolarHBondContact O-CG 3.45Å; S345-M349 PolarHBondContact O-N 3.42Å; S346-M349 PolarHBondContact O-N 2.86Å; M349-K352 PolarHBondContact O-N 2.98Å; M349-S353 WeakPolarHBondContact O-CB 3.37Å; M349-S353 PolarHBondContact O-N 3.43Å; M349-S353 PolarHBondContact O-OG 3.37Å |
| 350 | L | 81.9 | Confident | 84.9 | Confident | 115 Ų | 115 | 102.9 Ų | 102.9 | 60% | 0.602 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -69.7 | -32.6 | 175.4 | -74 | 169.7 | 0 | 0 | 0 | 112.6 | S346 R347 S353 R354 | S346-L350 WeakPolarHBondContact O-CB 3.21Å; S346-L350 VanDerWaalsContact O-CG 3.27Å; S346-L350 WeakPolarHBondContact O-CG 3.4Å; S346-L350 PolarHBondContact O-N 2.85Å; R347-L350 PolarHBondContact O-N 3.38Å; L350-S353 WeakPolarHBondContact CA-OG 3.44Å; L350-S353 PolarHBondContact O-OG 2.84Å; L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 3.09Å |
| 351 | I | 85.7 | Confident | 84.7 | Confident | 99 Ų | 99 | 99.3 Ų | 99.3 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -49.6 | 170.4 | -71.2 | 162.5 | 0 | 0 | 0 | 109.3 | R347 T348 S353 R354 E355 | R347-I351 WeakPolarHBondContact O-CB 3.35Å; R347-I351 WeakPolarHBondContact O-CD1 3.49Å; R347-I351 VanDerWaalsContact O-CG1 3.24Å; R347-I351 WeakPolarHBondContact O-CG1 3.3Å; R347-I351 PolarHBondContact O-N 3.49Å; T348-I351 PolarHBondContact O-N 3.25Å; I351-S353 PolarHBondContact O-N 2.84Å; I351-R354 PolarHBondContact O-N 3.38Å; I351-E355 WeakPolarHBondContact O-CG 3.47Å; I351-E355 PolarHBondContact O-N 3.09Å |
| 352 | K | 86.4 | Confident | 84.6 | Confident | 137 Ų | 137 | 100.4 Ų | 100.4 | 60% | 0.596 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -41.6 | 177.1 | -74 | 175.2 | 179.9 | -179.7 | 0 | 112.9 | T348 M349 E355 E356 | T348-K352 HydrophobicContact CG2-CD 4.44Å; T348-K352 WeakPolarHBondContact O-CB 3.24Å; T348-K352 WeakPolarHBondContact O-CG 3.5Å; T348-K352 PolarHBondContact O-N 3.32Å; M349-K352 PolarHBondContact O-N 2.98Å; K352-E355 WeakPolarHBondContact O-CB 3.48Å; K352-E355 PolarHBondContact O-N 3.32Å; K352-E356 WeakPolarHBondContact O-CB 3.21Å; K352-E356 PolarHBondContact O-N 3.39Å |
| 353 | S | 81.5 | Confident | 84.5 | Confident | 48 Ų | 48 | 99.9 Ų | 99.9 | 34% | 0.336 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.8 | -32.4 | 177 | 72.1 | 0 | 0 | 0 | 0 | 111.9 | M349 L350 I351 E356 I357 | M349-S353 WeakPolarHBondContact O-CB 3.37Å; M349-S353 PolarHBondContact O-N 3.43Å; M349-S353 PolarHBondContact O-OG 3.37Å; L350-S353 WeakPolarHBondContact CA-OG 3.44Å; L350-S353 PolarHBondContact O-OG 2.84Å; I351-S353 PolarHBondContact O-N 2.84Å; S353-E356 PolarHBondContact O-N 3.03Å; S353-I357 WeakPolarHBondContact O-CB 3.37Å; S353-I357 WeakPolarHBondContact O-CD1 3.49Å; S353-I357 WeakPolarHBondContact O-CG1 3.42Å; S353-I357 PolarHBondContact O-N 2.85Å |
| 354 | R | 86.6 | Confident | 84.2 | Confident | 188 Ų | 188 | 102 Ų | 102 | 71% | 0.709 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.6 | -41.8 | 169.6 | -175.3 | 178.6 | -179.2 | -169.7 | 0.1 | 111.9 | L350 I351 E356 I357 V358 | L350-R354 WeakPolarHBondContact O-CB 3.29Å; L350-R354 PolarHBondContact O-N 3.09Å; I351-R354 PolarHBondContact O-N 3.38Å; R354-E356 VanDerWaalsContact C-N 3.3Å; R354-E356 PolarHBondContact O-N 3.23Å; R354-I357 PolarHBondContact O-N 3.27Å; R354-V358 WeakPolarHBondContact O-CB 3.19Å; R354-V358 VanDerWaalsContact O-CG2 3.3Å; R354-V358 WeakPolarHBondContact O-CG2 3.26Å; R354-V358 PolarHBondContact O-N 3.46Å |
| 355 | E | 86.5 | Confident | 84.1 | Confident | 92 Ų | 92 | 102.9 Ų | 102.9 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.5 | -41 | 170.9 | -76.8 | 178.5 | -148.4 | 0 | 0 | 111.5 | I351 K352 V358 K359 | I351-E355 WeakPolarHBondContact O-CG 3.47Å; I351-E355 PolarHBondContact O-N 3.09Å; K352-E355 WeakPolarHBondContact O-CB 3.48Å; K352-E355 PolarHBondContact O-N 3.32Å; E355-V358 PolarHBondContact O-N 3.49Å; E355-K359 WeakPolarHBondContact O-CB 3.49Å; E355-K359 WeakPolarHBondContact O-CD 3.23Å; E355-K359 VanDerWaalsContact O-CG 3.25Å; E355-K359 WeakPolarHBondContact O-CG 3.45Å; E355-K359 PolarHBondContact O-N 3.26Å; E355-K359 IonicContact OE2-NZ 2.67Å; E355-K359 PolarHBondContact OE2-NZ 3.1Å |
| 356 | E | 84.4 | Confident | 83.9 | Confident | 92 Ų | 92 | 105.2 Ų | 105.2 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -70.2 | -36.3 | 177.1 | -154.6 | -168.3 | 135.7 | 0 | 0 | 111.9 | K352 S353 R354 V358 K359 R360 | K352-E356 WeakPolarHBondContact O-CB 3.21Å; K352-E356 PolarHBondContact O-N 3.39Å; S353-E356 PolarHBondContact O-N 3.03Å; R354-E356 VanDerWaalsContact C-N 3.3Å; R354-E356 PolarHBondContact O-N 3.23Å; E356-V358 VanDerWaalsContact C-N 3.35Å; E356-K359 PolarHBondContact O-N 2.67Å; E356-R360 VanDerWaalsContact O-CB 3.27Å; E356-R360 WeakPolarHBondContact O-CB 3.31Å; E356-R360 WeakPolarHBondContact O-CG 3.49Å; E356-R360 PolarHBondContact O-N 3.26Å; E356-R360 IonicContact OE1-CZ 3.6Å; E356-R360 IonicContact OE1-NE 2.91Å; E356-R360 PolarHBondContact OE1-NE 2.88Å; E356-R360 IonicContact OE1-NH2 2.6Å; E356-R360 PolarHBondContact OE1-NH2 3.37Å |
| 357 | I | 83.6 | Confident | 83.7 | Confident | 108 Ų | 108 | 107.8 Ų | 107.8 | 55% | 0.554 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.9 | -38.3 | 170.8 | -72.7 | 162.6 | 0 | 0 | 0 | 110.6 | S353 R354 R360 S361 | S353-I357 WeakPolarHBondContact O-CB 3.37Å; S353-I357 WeakPolarHBondContact O-CD1 3.49Å; S353-I357 WeakPolarHBondContact O-CG1 3.42Å; S353-I357 PolarHBondContact O-N 2.85Å; R354-I357 PolarHBondContact O-N 3.27Å; I357-R360 PolarHBondContact O-N 2.98Å; I357-S361 WeakPolarHBondContact O-CB 3.28Å; I357-S361 PolarHBondContact O-N 3.34Å |
| 358 | V | 85.9 | Confident | 83.5 | Confident | 90 Ų | 90 | 106 Ų | 106 | 55% | 0.545 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.2 | -41 | 173.8 | 168.4 | 0 | 0 | 0 | 0 | 111.1 | R354 E355 E356 S361 H362 | R354-V358 WeakPolarHBondContact O-CB 3.19Å; R354-V358 VanDerWaalsContact O-CG2 3.3Å; R354-V358 WeakPolarHBondContact O-CG2 3.26Å; R354-V358 PolarHBondContact O-N 3.46Å; E355-V358 PolarHBondContact O-N 3.49Å; E356-V358 VanDerWaalsContact C-N 3.35Å; V358-S361 PolarHBondContact O-N 3.41Å; V358-H362 WeakPolarHBondContact O-CB 3.42Å; V358-H362 PolarHBondContact O-N 2.82Å |
| 359 | K | 85.5 | Confident | 83.3 | Confident | 119 Ų | 119 | 108 Ų | 108 | 52% | 0.517 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.8 | -43.2 | 173.3 | -72.9 | 158.2 | -176.9 | 155.9 | 0 | 111.4 | E355 E356 H362 N363 | E355-K359 WeakPolarHBondContact O-CB 3.49Å; E355-K359 WeakPolarHBondContact O-CD 3.23Å; E355-K359 VanDerWaalsContact O-CG 3.25Å; E355-K359 WeakPolarHBondContact O-CG 3.45Å; E355-K359 PolarHBondContact O-N 3.26Å; E355-K359 IonicContact OE2-NZ 2.67Å; E355-K359 PolarHBondContact OE2-NZ 3.1Å; E356-K359 PolarHBondContact O-N 2.67Å; K359-H362 PolarHBondContact O-N 3.35Å; K359-N363 WeakPolarHBondContact O-CB 3.34Å; K359-N363 PolarHBondContact O-N 3.44Å; K359-N363 PolarHBondContact O-OD1 2.81Å |
| 360 | R | 82.4 | Confident | 83.2 | Confident | 156 Ų | 156 | 104.5 Ų | 104.5 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -44.6 | 174.8 | -74.3 | 170.3 | -177.3 | -133 | 7.7 | 111.2 | E356 I357 N363 E364 | E356-R360 VanDerWaalsContact O-CB 3.27Å; E356-R360 WeakPolarHBondContact O-CB 3.31Å; E356-R360 WeakPolarHBondContact O-CG 3.49Å; E356-R360 PolarHBondContact O-N 3.26Å; E356-R360 IonicContact OE1-CZ 3.6Å; E356-R360 IonicContact OE1-NE 2.91Å; E356-R360 PolarHBondContact OE1-NE 2.88Å; E356-R360 IonicContact OE1-NH2 2.6Å; E356-R360 PolarHBondContact OE1-NH2 3.37Å; I357-R360 PolarHBondContact O-N 2.98Å; R360-N363 CarbonylContact O-C 3.59Å; R360-N363 PolarHBondContact O-N 2.81Å; R360-E364 WeakPolarHBondContact O-CB 3.36Å; R360-E364 PolarHBondContact O-N 3.26Å |
| 361 | S | 81.7 | Confident | 83 | Confident | 66 Ų | 66 | 103.6 Ų | 103.6 | 46% | 0.462 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66 | -35.7 | 177.2 | 177.7 | 0 | 0 | 0 | 0 | 112.1 | I357 V358 E364 E365 | I357-S361 WeakPolarHBondContact O-CB 3.28Å; I357-S361 PolarHBondContact O-N 3.34Å; V358-S361 PolarHBondContact O-N 3.41Å; S361-E364 CarbonylContact O-C 3.53Å; S361-E364 PolarHBondContact O-N 2.71Å; S361-E365 VanDerWaalsContact O-CB 3.27Å; S361-E365 WeakPolarHBondContact O-CB 3.49Å; S361-E365 PolarHBondContact O-N 2.79Å |
| 362 | H | 82.8 | Confident | 82.7 | Confident | 87 Ų | 87 | 104.5 Ų | 104.5 | 40% | 0.403 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -72.8 | -36.6 | 172.3 | -173.6 | 57.6 | 0 | 0 | 0 | 112.2 | V358 K359 E364 E365 Q366 | V358-H362 WeakPolarHBondContact O-CB 3.42Å; V358-H362 PolarHBondContact O-N 2.82Å; K359-H362 PolarHBondContact O-N 3.35Å; H362-E364 VanDerWaalsContact C-N 3.3Å; H362-E365 IonicContact CE1-OE2 2.77Å; H362-E365 IonicContact ND1-OE2 3.88Å; H362-E365 PolarHBondContact ND1-OE2 2.64Å; H362-E365 PolarHBondContact O-N 2.85Å; H362-Q366 PolarHBondContact CD2-NE2 3.02Å; H362-Q366 PolarHBondContact NE2-NE2 3.46Å; H362-Q366 WeakPolarHBondContact O-CB 3.44Å; H362-Q366 WeakPolarHBondContact O-CG 3.45Å; H362-Q366 PolarHBondContact O-N 3.47Å |
| 363 | N | 83.5 | Confident | 82.5 | Confident | 91 Ų | 91 | 104 Ų | 104 | 49% | 0.487 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -33.9 | 170.1 | -71.1 | -4.3 | 0 | 0 | 0 | 111.7 | K359 R360 Q366 L367 | K359-N363 WeakPolarHBondContact O-CB 3.34Å; K359-N363 PolarHBondContact O-N 3.44Å; K359-N363 PolarHBondContact O-OD1 2.81Å; R360-N363 CarbonylContact O-C 3.59Å; R360-N363 PolarHBondContact O-N 2.81Å; N363-Q366 PolarHBondContact O-N 2.79Å; N363-L367 VanDerWaalsContact O-CB 3.23Å; N363-L367 WeakPolarHBondContact O-CB 3.4Å; N363-L367 WeakPolarHBondContact O-CG 3.41Å; N363-L367 PolarHBondContact O-N 3.14Å |
| 364 | E | 80.3 | Confident | 82.3 | Confident | 131 Ų | 131 | 106.6 Ų | 106.6 | 61% | 0.612 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.2 | -33.2 | 175.7 | -170.7 | 167.9 | -139.4 | 0 | 0 | 111.2 | R360 S361 H362 L367 E368 | R360-E364 WeakPolarHBondContact O-CB 3.36Å; R360-E364 PolarHBondContact O-N 3.26Å; S361-E364 CarbonylContact O-C 3.53Å; S361-E364 PolarHBondContact O-N 2.71Å; H362-E364 VanDerWaalsContact C-N 3.3Å; E364-L367 CarbonylContact O-C 3.53Å; E364-L367 PolarHBondContact O-N 2.96Å; E364-E368 WeakPolarHBondContact O-CB 3.49Å; E364-E368 PolarHBondContact O-N 3.03Å |
| 365 | E | 81.8 | Confident | 81.9 | Confident | 85 Ų | 85 | 103.6 Ų | 103.6 | 40% | 0.397 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.7 | -39.9 | 169.2 | -171.8 | -155.6 | 178.8 | 0 | 0 | 111.4 | S361 H362 E368 K369 | S361-E365 VanDerWaalsContact O-CB 3.27Å; S361-E365 WeakPolarHBondContact O-CB 3.49Å; S361-E365 PolarHBondContact O-N 2.79Å; H362-E365 IonicContact CE1-OE2 2.77Å; H362-E365 IonicContact ND1-OE2 3.88Å; H362-E365 PolarHBondContact ND1-OE2 2.64Å; H362-E365 PolarHBondContact O-N 2.85Å; E365-E368 PolarHBondContact O-N 3.39Å; E365-K369 VanDerWaalsContact CD-NZ 3.26Å; E365-K369 HydrophobicContact CG-CD 4.43Å; E365-K369 VanDerWaalsContact O-CB 3.3Å; E365-K369 WeakPolarHBondContact O-CB 3.37Å; E365-K369 WeakPolarHBondContact O-CD 3.49Å; E365-K369 WeakPolarHBondContact O-CG 3.35Å; E365-K369 PolarHBondContact O-N 3.43Å; E365-K369 VanDerWaalsContact OE1-CE 3.31Å; E365-K369 WeakPolarHBondContact OE1-CE 3.29Å; E365-K369 IonicContact OE1-NZ 3.18Å; E365-K369 PolarHBondContact OE1-NZ 2.68Å; E365-K369 IonicContact OE2-NZ 3.44Å |
| 366 | Q | 82 | Confident | 81.5 | Confident | 104 Ų | 104 | 104.2 Ų | 104.2 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.7 | -40.8 | 171.3 | -74.7 | -172.7 | 26.9 | 0 | 0 | 111.2 | H362 N363 K369 S370 | H362-Q366 PolarHBondContact CD2-NE2 3.02Å; H362-Q366 PolarHBondContact NE2-NE2 3.46Å; H362-Q366 WeakPolarHBondContact O-CB 3.44Å; H362-Q366 WeakPolarHBondContact O-CG 3.45Å; H362-Q366 PolarHBondContact O-N 3.47Å; N363-Q366 PolarHBondContact O-N 2.79Å; Q366-K369 PolarHBondContact O-N 3.37Å; Q366-S370 WeakPolarHBondContact O-CB 3.11Å; Q366-S370 PolarHBondContact O-N 2.96Å |
| 367 | L | 79.4 | Confident | 81.3 | Confident | 112 Ų | 112 | 103.1 Ų | 103.1 | 59% | 0.586 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.5 | -41.3 | 174.3 | -79.5 | 167.3 | 0 | 0 | 0 | 110.9 | N363 E364 S370 L371 | N363-L367 VanDerWaalsContact O-CB 3.23Å; N363-L367 WeakPolarHBondContact O-CB 3.4Å; N363-L367 WeakPolarHBondContact O-CG 3.41Å; N363-L367 PolarHBondContact O-N 3.14Å; E364-L367 CarbonylContact O-C 3.53Å; E364-L367 PolarHBondContact O-N 2.96Å; L367-S370 WeakPolarHBondContact CA-OG 3.36Å; L367-S370 CarbonylContact O-C 3.58Å; L367-S370 WeakPolarHBondContact O-CA 3.41Å; L367-S370 WeakPolarHBondContact O-CB 3.22Å; L367-S370 PolarHBondContact O-N 2.85Å; L367-S370 VanDerWaalsContact O-N 3.1Å; L367-S370 PolarHBondContact O-OG 3.13Å; L367-L371 WeakPolarHBondContact O-CB 3.36Å; L367-L371 PolarHBondContact O-N 3.43Å |
| 368 | E | 81.9 | Confident | 81.1 | Confident | 117 Ų | 117 | 102.9 Ų | 102.9 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -70.8 | -32.4 | 175.9 | -175.3 | 161.9 | -141.6 | 0 | 0 | 111.6 | E364 E365 S370 L371 Q372 | E364-E368 WeakPolarHBondContact O-CB 3.49Å; E364-E368 PolarHBondContact O-N 3.03Å; E365-E368 PolarHBondContact O-N 3.39Å; E368-S370 VanDerWaalsContact C-N 3.34Å; E368-L371 CarbonylContact O-C 3.6Å; E368-L371 PolarHBondContact O-N 2.98Å; E368-Q372 HydrophobicContact CG-CG 4.49Å; E368-Q372 VanDerWaalsContact O-CB 3.27Å; E368-Q372 WeakPolarHBondContact O-CB 3.21Å; E368-Q372 VanDerWaalsContact O-CG 3.31Å; E368-Q372 WeakPolarHBondContact O-CG 3.28Å; E368-Q372 PolarHBondContact O-N 2.77Å |
| 369 | K | 81.5 | Confident | 80.7 | Confident | 111 Ų | 111 | 104.5 Ų | 104.5 | 48% | 0.483 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.9 | -37.7 | 165.4 | -76 | 166.1 | -175.4 | 170 | 0 | 111.5 | E365 Q366 K373 | E365-K369 VanDerWaalsContact CD-NZ 3.26Å; E365-K369 HydrophobicContact CG-CD 4.43Å; E365-K369 VanDerWaalsContact O-CB 3.3Å; E365-K369 WeakPolarHBondContact O-CB 3.37Å; E365-K369 WeakPolarHBondContact O-CD 3.49Å; E365-K369 WeakPolarHBondContact O-CG 3.35Å; E365-K369 PolarHBondContact O-N 3.43Å; E365-K369 VanDerWaalsContact OE1-CE 3.31Å; E365-K369 WeakPolarHBondContact OE1-CE 3.29Å; E365-K369 IonicContact OE1-NZ 3.18Å; E365-K369 PolarHBondContact OE1-NZ 2.68Å; E365-K369 IonicContact OE2-NZ 3.44Å; Q366-K369 PolarHBondContact O-N 3.37Å; K369-K373 VanDerWaalsContact O-CB 3.26Å; K369-K373 WeakPolarHBondContact O-CB 3.42Å; K369-K373 PolarHBondContact O-N 2.65Å |
| 370 | S | 81.9 | Confident | 80.4 | Confident | 47 Ų | 47 | 103.3 Ų | 103.3 | 33% | 0.329 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.3 | -30.1 | 173.5 | 87.3 | 0 | 0 | 0 | 0 | 112.5 | Q366 L367 E368 K373 L374 | Q366-S370 WeakPolarHBondContact O-CB 3.11Å; Q366-S370 PolarHBondContact O-N 2.96Å; L367-S370 WeakPolarHBondContact CA-OG 3.36Å; L367-S370 CarbonylContact O-C 3.58Å; L367-S370 WeakPolarHBondContact O-CA 3.41Å; L367-S370 WeakPolarHBondContact O-CB 3.22Å; L367-S370 PolarHBondContact O-N 2.85Å; L367-S370 VanDerWaalsContact O-N 3.1Å; L367-S370 PolarHBondContact O-OG 3.13Å; E368-S370 VanDerWaalsContact C-N 3.34Å; S370-K373 PolarHBondContact O-N 3.12Å; S370-L374 VanDerWaalsContact O-CB 3.24Å; S370-L374 WeakPolarHBondContact O-CB 3.3Å; S370-L374 WeakPolarHBondContact O-CG 3.47Å; S370-L374 PolarHBondContact O-N 3.35Å |
| 371 | L | 78.6 | Confident | 80.2 | Confident | 95 Ų | 95 | 99.6 Ų | 99.6 | 50% | 0.497 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -82.8 | -28.8 | 177.4 | -117.8 | 170.2 | 0 | 0 | 0 | 111.4 | L367 E368 K375 | L367-L371 WeakPolarHBondContact O-CB 3.36Å; L367-L371 PolarHBondContact O-N 3.43Å; E368-L371 CarbonylContact O-C 3.6Å; E368-L371 PolarHBondContact O-N 2.98Å; L371-K375 HydrophobicContact CD2-CG 4.48Å; L371-K375 WeakPolarHBondContact O-CA 3.5Å; L371-K375 WeakPolarHBondContact O-CB 3.48Å; L371-K375 WeakPolarHBondContact O-CG 2.97Å; L371-K375 PolarHBondContact O-N 3.19Å |
| 372 | Q | 79.3 | Confident | 80 | Confident | 119 Ų | 119 | 100.1 Ų | 100.1 | 56% | 0.556 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.3 | -42.5 | 164.5 | -79 | -174.8 | 1.1 | 0 | 0 | 109.6 | E368 K375 L376 | E368-Q372 HydrophobicContact CG-CG 4.49Å; E368-Q372 VanDerWaalsContact O-CB 3.27Å; E368-Q372 WeakPolarHBondContact O-CB 3.21Å; E368-Q372 VanDerWaalsContact O-CG 3.31Å; E368-Q372 WeakPolarHBondContact O-CG 3.28Å; E368-Q372 PolarHBondContact O-N 2.77Å; Q372-K375 CarbonylContact O-C 3.56Å; Q372-K375 PolarHBondContact O-N 2.95Å; Q372-L376 WeakPolarHBondContact O-CB 3.35Å; Q372-L376 PolarHBondContact O-N 3.01Å |
| 373 | K | 82.2 | Confident | 79.7 | Confident | 126 Ų | 126 | 99.9 Ų | 99.9 | 55% | 0.548 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -48.1 | 172.7 | -173.7 | 172.7 | -178.4 | -70.7 | 0 | 111.3 | K369 S370 L376 E377 | K369-K373 VanDerWaalsContact O-CB 3.26Å; K369-K373 WeakPolarHBondContact O-CB 3.42Å; K369-K373 PolarHBondContact O-N 2.65Å; S370-K373 PolarHBondContact O-N 3.12Å; K373-L376 PolarHBondContact O-N 3.45Å; K373-E377 IonicContact NZ-OE1 3.57Å; K373-E377 PolarHBondContact NZ-OE1 3.33Å; K373-E377 IonicContact NZ-OE2 3.25Å; K373-E377 VanDerWaalsContact O-CB 3.27Å; K373-E377 WeakPolarHBondContact O-CB 3.41Å; K373-E377 VanDerWaalsContact O-CG 3.23Å; K373-E377 WeakPolarHBondContact O-CG 3.43Å; K373-E377 PolarHBondContact O-N 2.85Å |
| 374 | L | 77.8 | Confident | 79.5 | Confident | 103 Ų | 103 | 101.6 Ų | 101.6 | 54% | 0.539 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68.1 | -30.4 | 174.9 | -86.6 | 159.9 | 0 | 0 | 0 | 113.1 | S370 L378 | S370-L374 VanDerWaalsContact O-CB 3.24Å; S370-L374 WeakPolarHBondContact O-CB 3.3Å; S370-L374 WeakPolarHBondContact O-CG 3.47Å; S370-L374 PolarHBondContact O-N 3.35Å; L374-L378 WeakPolarHBondContact O-CA 3.48Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 PolarHBondContact O-N 3.07Å |
| 375 | K | 77.5 | Confident | 79.3 | Confident | 124 Ų | 124 | 100.6 Ų | 100.6 | 54% | 0.539 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.7 | -37.1 | 170.7 | -84.2 | 172.4 | 178.4 | 176.5 | 0 | 111.6 | L371 Q372 L378 E379 | L371-K375 HydrophobicContact CD2-CG 4.48Å; L371-K375 WeakPolarHBondContact O-CA 3.5Å; L371-K375 WeakPolarHBondContact O-CB 3.48Å; L371-K375 WeakPolarHBondContact O-CG 2.97Å; L371-K375 PolarHBondContact O-N 3.19Å; Q372-K375 CarbonylContact O-C 3.56Å; Q372-K375 PolarHBondContact O-N 2.95Å; K375-L378 CarbonylContact O-C 3.57Å; K375-L378 PolarHBondContact O-N 2.86Å; K375-E379 VanDerWaalsContact O-CB 3.24Å; K375-E379 WeakPolarHBondContact O-CB 3.4Å; K375-E379 PolarHBondContact O-N 3.45Å |
| 376 | L | 78.7 | Confident | 78.9 | Confident | 106 Ų | 106 | 99.6 Ų | 99.6 | 56% | 0.555 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -76.8 | -32.4 | 179.1 | -155.1 | 163.2 | 0 | 0 | 0 | 109.8 | Q372 K373 Q380 | Q372-L376 WeakPolarHBondContact O-CB 3.35Å; Q372-L376 PolarHBondContact O-N 3.01Å; K373-L376 PolarHBondContact O-N 3.45Å; L376-Q380 HydrophobicContact CD2-CG 4.15Å; L376-Q380 VanDerWaalsContact CD2-NE2 3.32Å; L376-Q380 WeakPolarHBondContact O-CB 3.45Å; L376-Q380 WeakPolarHBondContact O-CG 3.37Å; L376-Q380 PolarHBondContact O-N 2.71Å |
| 377 | E | 80.3 | Confident | 78.4 | Confident | 69 Ų | 69 | 96.6 Ų | 96.6 | 32% | 0.322 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.2 | -38.2 | 163.9 | -74.1 | 167.3 | 175.2 | 0 | 0 | 111.4 | K373 Q380 T381 | K373-E377 IonicContact NZ-OE1 3.57Å; K373-E377 PolarHBondContact NZ-OE1 3.33Å; K373-E377 IonicContact NZ-OE2 3.25Å; K373-E377 VanDerWaalsContact O-CB 3.27Å; K373-E377 WeakPolarHBondContact O-CB 3.41Å; K373-E377 VanDerWaalsContact O-CG 3.23Å; K373-E377 WeakPolarHBondContact O-CG 3.43Å; K373-E377 PolarHBondContact O-N 2.85Å; E377-Q380 CarbonylContact O-C 3.59Å; E377-Q380 PolarHBondContact O-N 3.3Å; E377-T381 WeakPolarHBondContact O-CG2 3.47Å; E377-T381 PolarHBondContact O-N 2.89Å; E377-T381 PolarHBondContact O-OG1 3.13Å |
| 378 | L | 77.4 | Confident | 77.9 | Confident | 102 Ų | 102 | 94 Ų | 94 | 53% | 0.534 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -69.5 | -41.6 | 174.4 | -176.5 | 65.7 | 0 | 0 | 0 | 111.4 | L374 K375 Q380 T381 N382 | L374-L378 WeakPolarHBondContact O-CA 3.48Å; L374-L378 WeakPolarHBondContact O-CB 3.42Å; L374-L378 PolarHBondContact O-N 3.07Å; K375-L378 CarbonylContact O-C 3.57Å; K375-L378 PolarHBondContact O-N 2.86Å; L378-Q380 VanDerWaalsContact C-N 3.34Å; L378-T381 WeakPolarHBondContact CA-OG1 3.32Å; L378-T381 CarbonylContact O-C 3.48Å; L378-T381 PolarHBondContact O-N 3.44Å; L378-T381 PolarHBondContact O-OG1 3.19Å; L378-N382 WeakPolarHBondContact O-CB 3.26Å; L378-N382 PolarHBondContact O-N 3.14Å |
| 379 | E | 78.8 | Confident | 77.4 | Confident | 124 Ų | 124 | 93.1 Ų | 93.1 | 58% | 0.579 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.9 | -43.2 | 172.7 | -150.6 | 82.1 | -112.8 | 0 | 0 | 109 | K375 N382 V383 | K375-E379 VanDerWaalsContact O-CB 3.24Å; K375-E379 WeakPolarHBondContact O-CB 3.4Å; K375-E379 PolarHBondContact O-N 3.45Å; E379-N382 CarbonylContact O-C 3.57Å; E379-N382 PolarHBondContact O-N 3.21Å; E379-V383 VanDerWaalsContact O-CB 3.27Å; E379-V383 WeakPolarHBondContact O-CB 3.15Å; E379-V383 VanDerWaalsContact O-CG2 3.23Å; E379-V383 WeakPolarHBondContact O-CG2 3.29Å; E379-V383 PolarHBondContact O-N 2.99Å |
| 380 | Q | 78.8 | Confident | 76.8 | Confident | 95 Ų | 95 | 93 Ų | 93 | 44% | 0.444 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.3 | -38.8 | 171.3 | -79.8 | 169.3 | -3.7 | 0 | 0 | 111.8 | L376 E377 L378 V383 H384 | L376-Q380 HydrophobicContact CD2-CG 4.15Å; L376-Q380 VanDerWaalsContact CD2-NE2 3.32Å; L376-Q380 WeakPolarHBondContact O-CB 3.45Å; L376-Q380 WeakPolarHBondContact O-CG 3.37Å; L376-Q380 PolarHBondContact O-N 2.71Å; E377-Q380 CarbonylContact O-C 3.59Å; E377-Q380 PolarHBondContact O-N 3.3Å; L378-Q380 VanDerWaalsContact C-N 3.34Å; Q380-V383 CarbonylContact O-C 3.59Å; Q380-V383 PolarHBondContact O-N 3.23Å; Q380-H384 VanDerWaalsContact O-CB 3.27Å; Q380-H384 WeakPolarHBondContact O-CB 3.49Å; Q380-H384 PolarHBondContact O-CD2 3.48Å; Q380-H384 PolarHBondContact O-N 2.99Å |
| 381 | T | 77.9 | Confident | 75.9 | Confident | 77 Ų | 77 | 93.3 Ų | 93.3 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.8 | -25.1 | 174.9 | 60.2 | 0 | 0 | 0 | 0 | 113.2 | E377 L378 K385 | E377-T381 WeakPolarHBondContact O-CG2 3.47Å; E377-T381 PolarHBondContact O-N 2.89Å; E377-T381 PolarHBondContact O-OG1 3.13Å; L378-T381 WeakPolarHBondContact CA-OG1 3.32Å; L378-T381 CarbonylContact O-C 3.48Å; L378-T381 PolarHBondContact O-N 3.44Å; L378-T381 PolarHBondContact O-OG1 3.19Å; T381-K385 WeakPolarHBondContact O-CA 3.47Å; T381-K385 WeakPolarHBondContact O-CB 3.37Å; T381-K385 PolarHBondContact O-N 2.85Å |
| 382 | N | 77.1 | Confident | 75.4 | Confident | 77 Ų | 77 | 92.2 Ų | 92.2 | 41% | 0.412 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -75.9 | -34.6 | 168.6 | -98.7 | -18.3 | 0 | 0 | 0 | 111.3 | L378 E379 K385 T386 | L378-N382 WeakPolarHBondContact O-CB 3.26Å; L378-N382 PolarHBondContact O-N 3.14Å; E379-N382 CarbonylContact O-C 3.57Å; E379-N382 PolarHBondContact O-N 3.21Å; N382-K385 PolarHBondContact O-N 3.41Å; N382-T386 WeakPolarHBondContact O-CB 3.42Å; N382-T386 WeakPolarHBondContact O-CG2 3.41Å; N382-T386 PolarHBondContact O-N 3.22Å; N382-T386 PolarHBondContact O-OG1 3Å |
| 383 | V | 77.5 | Confident | 74.7 | Confident | 83 Ų | 83 | 94 Ų | 94 | 50% | 0.503 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.9 | -37.1 | 168.9 | 167.7 | 0 | 0 | 0 | 0 | 110 | E379 Q380 T386 A387 | E379-V383 VanDerWaalsContact O-CB 3.27Å; E379-V383 WeakPolarHBondContact O-CB 3.15Å; E379-V383 VanDerWaalsContact O-CG2 3.23Å; E379-V383 WeakPolarHBondContact O-CG2 3.29Å; E379-V383 PolarHBondContact O-N 2.99Å; Q380-V383 CarbonylContact O-C 3.59Å; Q380-V383 PolarHBondContact O-N 3.23Å; V383-T386 WeakPolarHBondContact CA-OG1 3.19Å; V383-T386 PolarHBondContact O-OG1 3.12Å; V383-A387 VanDerWaalsContact O-CA 3.31Å; V383-A387 WeakPolarHBondContact O-CA 3.41Å; V383-A387 WeakPolarHBondContact O-CB 3.48Å; V383-A387 PolarHBondContact O-N 3.48Å |
| 384 | H | 77.9 | Confident | 73.8 | Confident | 126 Ų | 126 | 90.6 Ų | 90.6 | 58% | 0.583 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -74.8 | -29.4 | 173.1 | -68.9 | -49.4 | 0 | 0 | 0 | 111.9 | Q380 A387 A388 | Q380-H384 VanDerWaalsContact O-CB 3.27Å; Q380-H384 WeakPolarHBondContact O-CB 3.49Å; Q380-H384 PolarHBondContact O-CD2 3.48Å; Q380-H384 PolarHBondContact O-N 2.99Å; H384-A387 CarbonylContact O-C 3.57Å; H384-A388 WeakPolarHBondContact O-CA 3.26Å; H384-A388 WeakPolarHBondContact O-CB 3.49Å; H384-A388 PolarHBondContact O-N 2.81Å |
| 385 | K | 77.1 | Confident | 72.9 | Confident | 111 Ų | 111 | 88.2 Ų | 88.2 | 48% | 0.483 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.2 | -53.5 | 172.2 | -179.7 | -165 | 162.5 | -168.4 | 0 | 109.9 | T381 N382 A387 A388 E389 | T381-K385 WeakPolarHBondContact O-CA 3.47Å; T381-K385 WeakPolarHBondContact O-CB 3.37Å; T381-K385 PolarHBondContact O-N 2.85Å; N382-K385 PolarHBondContact O-N 3.41Å; K385-A387 VanDerWaalsContact C-N 3.26Å; K385-A387 PolarHBondContact O-N 2.85Å; K385-A388 CarbonylContact O-C 3.59Å; K385-A388 WeakPolarHBondContact O-CA 3.43Å; K385-A388 PolarHBondContact O-N 3.32Å; K385-E389 WeakPolarHBondContact CE-OE1 3.45Å; K385-E389 IonicContact NZ-OE1 3.67Å; K385-E389 WeakPolarHBondContact O-CG 3.05Å; K385-E389 PolarHBondContact O-N 3.49Å |
| 386 | T | 74.4 | Confident | 72.1 | Confident | 64 Ų | 64 | 88.3 Ų | 88.3 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -30.2 | 175.9 | 54.8 | 0 | 0 | 0 | 0 | 111.4 | N382 V383 A388 M390 | N382-T386 WeakPolarHBondContact O-CB 3.42Å; N382-T386 WeakPolarHBondContact O-CG2 3.41Å; N382-T386 PolarHBondContact O-N 3.22Å; N382-T386 PolarHBondContact O-OG1 3Å; V383-T386 WeakPolarHBondContact CA-OG1 3.19Å; V383-T386 PolarHBondContact O-OG1 3.12Å; T386-A388 VanDerWaalsContact C-N 3.34Å; T386-M390 WeakPolarHBondContact O-CA 3.34Å; T386-M390 WeakPolarHBondContact O-CB 3.19Å; T386-M390 WeakPolarHBondContact O-CG 3.17Å; T386-M390 PolarHBondContact O-N 2.82Å |
| 387 | A | 70 | Confident | 71.3 | Confident | 41 Ų | 41 | 86 Ų | 86 | 34% | 0.339 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -80.8 | -4.1 | 168.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | V383 H384 K385 A391 | V383-A387 VanDerWaalsContact O-CA 3.31Å; V383-A387 WeakPolarHBondContact O-CA 3.41Å; V383-A387 WeakPolarHBondContact O-CB 3.48Å; V383-A387 PolarHBondContact O-N 3.48Å; H384-A387 CarbonylContact O-C 3.57Å; K385-A387 VanDerWaalsContact C-N 3.26Å; K385-A387 PolarHBondContact O-N 2.85Å; A387-A391 WeakPolarHBondContact O-CA 3.46Å; A387-A391 WeakPolarHBondContact O-CB 3.48Å; A387-A391 PolarHBondContact O-N 3.44Å |
| 388 | A | 70 | Confident | 69.8 | Low | 57 Ų | 57 | 84.9 Ų | 84.9 | 47% | 0.471 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -101.9 | -23.4 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | H384 K385 T386 A391 S392 | H384-A388 WeakPolarHBondContact O-CA 3.26Å; H384-A388 WeakPolarHBondContact O-CB 3.49Å; H384-A388 PolarHBondContact O-N 2.81Å; K385-A388 CarbonylContact O-C 3.59Å; K385-A388 WeakPolarHBondContact O-CA 3.43Å; K385-A388 PolarHBondContact O-N 3.32Å; T386-A388 VanDerWaalsContact C-N 3.34Å; A388-A391 CarbonylContact O-C 3.6Å; A388-S392 WeakPolarHBondContact O-CA 3.34Å; A388-S392 WeakPolarHBondContact O-CB 3.38Å; A388-S392 PolarHBondContact O-N 3.22Å |
| 389 | E | 70.5 | Confident | 68.7 | Low | 98 Ų | 98 | 89.3 Ų | 89.3 | 46% | 0.458 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -75.6 | -40.8 | 165.3 | -70.1 | 169.2 | 161.8 | 0 | 0 | 109.5 | K385 K393 | K385-E389 WeakPolarHBondContact CE-OE1 3.45Å; K385-E389 IonicContact NZ-OE1 3.67Å; K385-E389 WeakPolarHBondContact O-CG 3.05Å; K385-E389 PolarHBondContact O-N 3.49Å; E389-K393 WeakPolarHBondContact O-CG 3.45Å; E389-K393 PolarHBondContact O-N 3.45Å |
| 390 | M | 69.2 | Low | 67.3 | Low | 110 Ų | 110 | 90.1 Ų | 90.1 | 54% | 0.542 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -58.1 | 163 | -68.5 | -173.3 | -65.5 | 0 | 0 | 110.1 | T386 S392 K393 T394 | T386-M390 WeakPolarHBondContact O-CA 3.34Å; T386-M390 WeakPolarHBondContact O-CB 3.19Å; T386-M390 WeakPolarHBondContact O-CG 3.17Å; T386-M390 PolarHBondContact O-N 2.82Å; M390-S392 CarbonylContact O-C 3.58Å; M390-S392 PolarHBondContact O-N 2.89Å; M390-K393 CarbonylContact O-C 3.59Å; M390-K393 WeakPolarHBondContact O-CA 3.4Å; M390-K393 WeakPolarHBondContact O-CB 3.42Å; M390-K393 PolarHBondContact O-N 3.45Å; M390-T394 WeakPolarHBondContact O-CA 3.34Å; M390-T394 WeakPolarHBondContact O-CB 3.3Å; M390-T394 PolarHBondContact O-N 2.88Å; M390-T394 PolarHBondContact O-OG1 3.43Å; M390-T394 VanDerWaalsContact O-OG1 3.09Å |
| 391 | A | 63.9 | Low | 66.1 | Low | 53 Ų | 53 | 90.3 Ų | 90.3 | 44% | 0.438 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.2 | 2.9 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.6 | A387 A388 A395 | A387-A391 WeakPolarHBondContact O-CA 3.46Å; A387-A391 WeakPolarHBondContact O-CB 3.48Å; A387-A391 PolarHBondContact O-N 3.44Å; A388-A391 CarbonylContact O-C 3.6Å; A391-A395 WeakPolarHBondContact O-CA 3.42Å; A391-A395 WeakPolarHBondContact O-CB 3.44Å; A391-A395 PolarHBondContact O-N 2.81Å |
| 392 | S | 67.9 | Low | 64.8 | Low | 71 Ų | 71 | 92.9 Ų | 92.9 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -82.8 | -57.5 | 158.4 | 177.2 | 0 | 0 | 0 | 0 | 109.6 | A388 M390 T394 A395 I396 | A388-S392 WeakPolarHBondContact O-CA 3.34Å; A388-S392 WeakPolarHBondContact O-CB 3.38Å; A388-S392 PolarHBondContact O-N 3.22Å; M390-S392 CarbonylContact O-C 3.58Å; M390-S392 PolarHBondContact O-N 2.89Å; S392-T394 PolarHBondContact O-N 3Å; S392-T394 VanDerWaalsContact O-N 3.1Å; S392-A395 PolarHBondContact O-N 3.49Å; S392-I396 WeakPolarHBondContact O-CD1 3.37Å; S392-I396 VanDerWaalsContact O-CG1 3.27Å; S392-I396 WeakPolarHBondContact O-CG1 3.42Å; S392-I396 PolarHBondContact O-N 3.17Å; S392-I396 VanDerWaalsContact O-N 3.08Å |
| 393 | K | 65 | Low | 63.6 | Low | 157 Ų | 157 | 97.8 Ų | 97.8 | 68% | 0.683 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.4 | -24.6 | 170.2 | -67.8 | 176.4 | 178.1 | 177.9 | 0 | 114 | E389 M390 I396 | E389-K393 WeakPolarHBondContact O-CG 3.45Å; E389-K393 PolarHBondContact O-N 3.45Å; M390-K393 CarbonylContact O-C 3.59Å; M390-K393 WeakPolarHBondContact O-CA 3.4Å; M390-K393 WeakPolarHBondContact O-CB 3.42Å; M390-K393 PolarHBondContact O-N 3.45Å; K393-I396 WeakPolarHBondContact O-CB 3.45Å |
| 394 | T | 63 | Low | 62.4 | Low | 54 Ų | 54 | 98.6 Ų | 98.6 | 33% | 0.331 | 52% | 0.521 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -113.5 | -11.5 | -171.5 | -54.9 | 0 | 0 | 0 | 0 | 111.3 | M390 S392 I396 T397 N398 | M390-T394 WeakPolarHBondContact O-CA 3.34Å; M390-T394 WeakPolarHBondContact O-CB 3.3Å; M390-T394 PolarHBondContact O-N 2.88Å; M390-T394 PolarHBondContact O-OG1 3.43Å; M390-T394 VanDerWaalsContact O-OG1 3.09Å; S392-T394 PolarHBondContact O-N 3Å; S392-T394 VanDerWaalsContact O-N 3.1Å; T394-I396 VanDerWaalsContact C-N 3.31Å; T394-T397 WeakPolarHBondContact CA-OG1 3.33Å; T394-T397 PolarHBondContact O-OG1 3.23Å; T394-N398 HydrophobicContact CG2-CB 4.38Å; T394-N398 VanDerWaalsContact CG2-OD1 3.28Å; T394-N398 WeakPolarHBondContact CG2-OD1 3.38Å; T394-N398 VanDerWaalsContact O-CA 3.3Å; T394-N398 WeakPolarHBondContact O-CA 3.49Å; T394-N398 WeakPolarHBondContact O-CB 3.43Å; T394-N398 VanDerWaalsContact O-CG 3.27Å; T394-N398 PolarHBondContact O-N 3.06Å; T394-N398 PolarHBondContact O-OD1 2.99Å |
| 395 | A | 58.8 | Low | 60.5 | Low | 54 Ų | 54 | 99 Ų | 99 | 45% | 0.446 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73 | -32.2 | 153 | 0 | 0 | 0 | 0 | 0 | 110 | A391 S392 T397 N398 Y399 | A391-A395 WeakPolarHBondContact O-CA 3.42Å; A391-A395 WeakPolarHBondContact O-CB 3.44Å; A391-A395 PolarHBondContact O-N 2.81Å; S392-A395 PolarHBondContact O-N 3.49Å; A395-T397 PolarHBondContact O-N 3.19Å; A395-N398 PolarHBondContact O-N 2.67Å; A395-Y399 VanDerWaalsContact O-CB 3.22Å; A395-Y399 WeakPolarHBondContact O-CB 3.4Å; A395-Y399 PolarHBondContact O-N 2.93Å |
| 396 | I | 59.7 | Low | 59.5 | Low | 126 Ų | 126 | 100.3 Ų | 100.3 | 65% | 0.646 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -60.1 | -31.6 | 170.5 | -70.7 | 165.1 | 0 | 0 | 0 | 111.7 | S392 K393 T394 | S392-I396 WeakPolarHBondContact O-CD1 3.37Å; S392-I396 VanDerWaalsContact O-CG1 3.27Å; S392-I396 WeakPolarHBondContact O-CG1 3.42Å; S392-I396 PolarHBondContact O-N 3.17Å; S392-I396 VanDerWaalsContact O-N 3.08Å; K393-I396 WeakPolarHBondContact O-CB 3.45Å; T394-I396 VanDerWaalsContact C-N 3.31Å |
| 397 | T | 61.5 | Low | 58.6 | Low | 58 Ų | 58 | 103.4 Ų | 103.4 | 36% | 0.356 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -97.2 | -28.2 | 172.2 | 60.8 | 0 | 0 | 0 | 0 | 114.8 | T394 A395 Q400 | T394-T397 WeakPolarHBondContact CA-OG1 3.33Å; T394-T397 PolarHBondContact O-OG1 3.23Å; A395-T397 PolarHBondContact O-N 3.19Å; T397-Q400 CarbonylContact O-C 3.59Å; T397-Q400 VanDerWaalsContact O-CA 3.31Å; T397-Q400 WeakPolarHBondContact O-CA 3.19Å; T397-Q400 WeakPolarHBondContact O-CB 3.45Å; T397-Q400 WeakPolarHBondContact O-CG 3.22Å; T397-Q400 PolarHBondContact O-N 3.46Å |
| 398 | N | 48.9 | Very low | 58 | Low | 44 Ų | 44 | 105.5 Ų | 105.5 | 24% | 0.235 | 56% | 0.556 | C | S | . | * | H | α-helix | trans | -105 | -1.7 | -170.2 | -61.5 | 32.8 | 0 | 0 | 0 | 113.8 | T394 A395 Q400 E401 L402 | T394-N398 HydrophobicContact CG2-CB 4.38Å; T394-N398 VanDerWaalsContact CG2-OD1 3.28Å; T394-N398 WeakPolarHBondContact CG2-OD1 3.38Å; T394-N398 VanDerWaalsContact O-CA 3.3Å; T394-N398 WeakPolarHBondContact O-CA 3.49Å; T394-N398 WeakPolarHBondContact O-CB 3.43Å; T394-N398 VanDerWaalsContact O-CG 3.27Å; T394-N398 PolarHBondContact O-N 3.06Å; T394-N398 PolarHBondContact O-OD1 2.99Å; A395-N398 PolarHBondContact O-N 2.67Å; N398-Q400 PolarHBondContact O-N 3.27Å; N398-E401 HydrophobicContact CB-CB 3.92Å; N398-E401 HydrophobicContact CB-CG 4.38Å; N398-E401 VanDerWaalsContact CG-OE2 3.26Å; N398-E401 PolarHBondContact ND2-OE2 2.83Å; N398-E401 CarbonylContact O-C 3.59Å; N398-E401 PolarHBondContact O-N 3.35Å; N398-E401 PolarHBondContact OD1-OE2 2.82Å; N398-L402 PolarHBondContact O-N 3.35Å |
| 399 | Y | 54.8 | Low | 57 | Low | 195 Ų | 195 | 111.5 Ų | 111.5 | 77% | 0.765 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -17.9 | 145.1 | -167.1 | -92.4 | 0 | 0 | 0 | 111.1 | A395 L402 | A395-Y399 VanDerWaalsContact O-CB 3.22Å; A395-Y399 WeakPolarHBondContact O-CB 3.4Å; A395-Y399 PolarHBondContact O-N 2.93Å; Y399-L402 HydrophobicContact CD2-CD1 4.3Å |
| 400 | Q | 50.4 | Low | 56.6 | Low | 141 Ų | 141 | 113.2 Ų | 113.2 | 66% | 0.659 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | 2.3 | 170 | -27.2 | 175.5 | -86.7 | 0 | 0 | 113.5 | T397 N398 | T397-Q400 CarbonylContact O-C 3.59Å; T397-Q400 VanDerWaalsContact O-CA 3.31Å; T397-Q400 WeakPolarHBondContact O-CA 3.19Å; T397-Q400 WeakPolarHBondContact O-CB 3.45Å; T397-Q400 WeakPolarHBondContact O-CG 3.22Å; T397-Q400 PolarHBondContact O-N 3.46Å; N398-Q400 PolarHBondContact O-N 3.27Å |
| 401 | E | 53.2 | Low | 56.3 | Low | 100 Ų | 100 | 113.4 Ų | 113.4 | 47% | 0.467 | 58% | 0.582 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -125.4 | 0.1 | 177.7 | -61.4 | -165.3 | 156.6 | 0 | 0 | 113.8 | N398 E403 T404 | N398-E401 HydrophobicContact CB-CB 3.92Å; N398-E401 HydrophobicContact CB-CG 4.38Å; N398-E401 VanDerWaalsContact CG-OE2 3.26Å; N398-E401 PolarHBondContact ND2-OE2 2.83Å; N398-E401 CarbonylContact O-C 3.59Å; N398-E401 PolarHBondContact O-N 3.35Å; N398-E401 PolarHBondContact OD1-OE2 2.82Å; E401-E403 PolarHBondContact O-N 3.23Å; E401-T404 PolarHBondContact O-N 3.42Å; E401-T404 PolarHBondContact O-OG1 3.42Å |
| 402 | L | 51 | Low | 56.4 | Low | 131 Ų | 131 | 115 Ų | 115 | 69% | 0.686 | 59% | 0.59 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -20.5 | 176.2 | -98.5 | 169.6 | 0 | 0 | 0 | 113.8 | N398 Y399 T404 | N398-L402 PolarHBondContact O-N 3.35Å; Y399-L402 HydrophobicContact CD2-CD1 4.3Å; L402-T404 VanDerWaalsContact C-N 3.27Å; L402-T404 PolarHBondContact O-N 3.01Å |
| 403 | E | 50.7 | Low | 56.3 | Low | 180 Ų | 180 | 117.6 Ų | 117.6 | 84% | 0.841 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.9 | -17.3 | 175.5 | -63.7 | -177.1 | 110.2 | 0 | 0 | 113.9 | E401 | E401-E403 PolarHBondContact O-N 3.23Š|
| 404 | T | 53.1 | Low | 56.6 | Low | 100 Ų | 100 | 116.3 Ų | 116.3 | 61% | 0.613 | 60% | 0.597 | S | S | * | * | S | Bend | trans | -100.9 | -20.9 | -164.7 | 63.3 | 0 | 0 | 0 | 0 | 116.3 | E401 L402 | E401-T404 PolarHBondContact O-N 3.42Å; E401-T404 PolarHBondContact O-OG1 3.42Å; L402-T404 VanDerWaalsContact C-N 3.27Å; L402-T404 PolarHBondContact O-N 3.01Å |
| 405 | Q | 37.7 | Very low | 56.9 | Low | 133 Ų | 133 | 119 Ų | 119 | 62% | 0.621 | 61% | 0.613 | S | S | * | * | S | Bend | trans | -95.4 | 0.1 | -171.9 | -65.9 | -165.9 | 2.9 | 0 | 0 | 115.6 | E407 | Q405-E407 PolarHBondContact O-N 3.09Š|
| 406 | L | 55.4 | Low | 57.4 | Low | 139 Ų | 139 | 122 Ų | 122 | 73% | 0.728 | 62% | 0.621 | S | S | * | * | S | Bend | trans | -71.9 | -25.6 | -171.1 | -161.5 | 72.9 | 0 | 0 | 0 | 114.5 | ||
| 407 | E | 55.2 | Low | 57.8 | Low | 130 Ų | 130 | 123.4 Ų | 123.4 | 61% | 0.607 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -105 | -23.9 | -158.3 | -161 | 55.1 | -161.2 | 0 | 0 | 115.8 | Q405 K410 | Q405-E407 PolarHBondContact O-N 3.09Å; E407-K410 IonicContact OE1-NZ 3.71Å; E407-K410 IonicContact OE2-NZ 2.74Å; E407-K410 PolarHBondContact OE2-NZ 2.9Å |
| 408 | S | 58.5 | Low | 58.2 | Low | 84 Ų | 84 | 125.7 Ų | 125.7 | 59% | 0.587 | 64% | 0.639 | S | S | * | * | G | 310 helix | trans | -81.4 | -23.5 | -173.6 | 58.2 | 0 | 0 | 0 | 0 | 115.2 | K410 | S408-K410 PolarHBondContact O-N 3.41Š|
| 409 | Y | 49.7 | Very low | 59.5 | Low | 184 Ų | 184 | 133.1 Ų | 133.1 | 72% | 0.722 | 66% | 0.664 | S | S | * | * | G | 310 helix | trans | -80.1 | -9.1 | -169.8 | -82.4 | -74.6 | 0 | 0 | 0 | 115.7 | ||
| 410 | K | 61.5 | Low | 60.1 | Low | 133 Ų | 133 | 130.6 Ų | 130.6 | 58% | 0.578 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -74.3 | -26.8 | -173.8 | -68.1 | 168.5 | -171.8 | 155.3 | 0 | 114.5 | E407 S408 | E407-K410 IonicContact OE1-NZ 3.71Å; E407-K410 IonicContact OE2-NZ 2.74Å; E407-K410 PolarHBondContact OE2-NZ 2.9Å; S408-K410 PolarHBondContact O-N 3.41Å |
| 411 | T | 62 | Low | 61.4 | Low | 115 Ų | 115 | 131.8 Ų | 131.8 | 71% | 0.706 | 67% | 0.668 | S | S | * | * | S | Bend | trans | -92.9 | -15.4 | -165.9 | 29.8 | 0 | 0 | 0 | 0 | 116 | ||
| 412 | S | 66.5 | Low | 62.4 | Low | 87 Ų | 87 | 133.4 Ų | 133.4 | 61% | 0.608 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -83.1 | -29.9 | -173.4 | -167.9 | 0 | 0 | 0 | 0 | 114.3 | I414 | S412-I414 VanDerWaalsContact C-N 3.27Å; S412-I414 PolarHBondContact O-N 2.92Å; S412-I414 VanDerWaalsContact O-N 3.16Å |
| 413 | N | 65.9 | Low | 63.3 | Low | 124 Ų | 124 | 132 Ų | 132 | 66% | 0.663 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.5 | -16.1 | -164.9 | -157.4 | 14.4 | 0 | 0 | 0 | 114.9 | ||
| 414 | I | 71.9 | Confident | 64.5 | Low | 131 Ų | 131 | 125.7 Ų | 125.7 | 67% | 0.672 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.9 | -33.3 | -175.1 | -65.5 | 172.5 | 0 | 0 | 0 | 111.9 | S412 I416 | S412-I414 VanDerWaalsContact C-N 3.27Å; S412-I414 PolarHBondContact O-N 2.92Å; S412-I414 VanDerWaalsContact O-N 3.16Å; I414-I416 VanDerWaalsContact C-N 3.33Å; I414-I416 PolarHBondContact O-N 3.35Å |
| 415 | T | 69.5 | Low | 65.5 | Low | 109 Ų | 109 | 128.3 Ų | 128.3 | 67% | 0.669 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.8 | -17.6 | -166.3 | -43.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 416 | I | 69.2 | Low | 67.2 | Low | 119 Ų | 119 | 128.7 Ų | 128.7 | 61% | 0.61 | 66% | 0.66 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -31.3 | -172.8 | -64.2 | 177.3 | 0 | 0 | 0 | 112.3 | I414 T418 R419 | I414-I416 VanDerWaalsContact C-N 3.33Å; I414-I416 PolarHBondContact O-N 3.35Å; I416-T418 PolarHBondContact O-N 3.17Å; I416-R419 PolarHBondContact O-N 3.01Å |
| 417 | Q | 67.8 | Low | 68.4 | Low | 154 Ų | 154 | 127.1 Ų | 127.1 | 72% | 0.72 | 65% | 0.652 | S | S | * | * | G | 310 helix | trans | -67.1 | -33.7 | -171.1 | -68.7 | -173.7 | -19.6 | 0 | 0 | 113.7 | R419 | Q417-R419 VanDerWaalsContact C-N 3.3Å; Q417-R419 PolarHBondContact O-N 3.33Å |
| 418 | T | 69.5 | Low | 69.4 | Low | 107 Ų | 107 | 125.9 Ų | 125.9 | 66% | 0.656 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -62.7 | -35.1 | -177.1 | -36.2 | 0 | 0 | 0 | 0 | 113 | I416 L420 H421 | I416-T418 PolarHBondContact O-N 3.17Å; T418-L420 VanDerWaalsContact C-N 3.31Å; T418-L420 PolarHBondContact O-N 2.82Å; T418-H421 PolarHBondContact O-N 3.44Å |
| 419 | R | 76 | Confident | 70.4 | Confident | 200 Ų | 200 | 127.9 Ų | 127.9 | 76% | 0.755 | 65% | 0.649 | S | S | * | * | G | 310 helix | trans | -79.3 | -10 | -168.4 | -158 | 171 | -177.5 | 175.1 | -0.2 | 114.2 | I416 Q417 | I416-R419 PolarHBondContact O-N 3.01Å; Q417-R419 VanDerWaalsContact C-N 3.3Å; Q417-R419 PolarHBondContact O-N 3.33Å |
| 420 | L | 68.3 | Low | 71.6 | Confident | 142 Ų | 142 | 123.4 Ų | 123.4 | 74% | 0.743 | 64% | 0.641 | S | S | * | * | G | 310 helix | trans | -80.9 | -15.7 | 175.9 | -91.5 | 163.9 | 0 | 0 | 0 | 113.6 | T418 | T418-L420 VanDerWaalsContact C-N 3.31Å; T418-L420 PolarHBondContact O-N 2.82Å |
| 421 | H | 76.1 | Confident | 72.4 | Confident | 166 Ų | 166 | 122.4 Ų | 122.4 | 77% | 0.769 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -33 | -175.2 | -168.4 | 47.7 | 0 | 0 | 0 | 113.4 | T418 | T418-H421 PolarHBondContact O-N 3.44Š|
| 422 | E | 74.6 | Confident | 73.4 | Confident | 134 Ų | 134 | 122.4 Ų | 122.4 | 63% | 0.626 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -44.1 | -171.7 | -63.3 | 172.7 | 131.9 | 0 | 0 | 112.4 | G424 K425 | E422-G424 PolarHBondContact O-N 3.42Å; E422-G424 VanDerWaalsContact O-N 3.14Å; E422-K425 PolarHBondContact O-N 2.95Å; E422-K425 VanDerWaalsContact O-N 3.11Å |
| 423 | V | 71.2 | Confident | 74 | Confident | 101 Ų | 101 | 123.1 Ų | 123.1 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -60.1 | -26.7 | -179.1 | -178.3 | 0 | 0 | 0 | 0 | 112.7 | K425 | V423-K425 PolarHBondContact O-N 2.94Å |
| 424 | G | 76 | Confident | 74.6 | Confident | 48 Ų | 48 | 123 Ų | 123 | 50% | 0.495 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -63.6 | -22.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | E422 | E422-G424 PolarHBondContact O-N 3.42Å; E422-G424 VanDerWaalsContact O-N 3.14Å |
| 425 | K | 73.7 | Confident | 74.9 | Confident | 154 Ų | 154 | 120.3 Ų | 120.3 | 67% | 0.67 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -85.2 | -34.4 | -173.2 | -162 | -178.2 | 177.9 | -167 | 0 | 113.6 | E422 V423 L427 | E422-K425 PolarHBondContact O-N 2.95Å; E422-K425 VanDerWaalsContact O-N 3.11Å; V423-K425 PolarHBondContact O-N 2.94Å; K425-L427 PolarHBondContact O-N 2.87Å |
| 426 | E | 73.8 | Confident | 75.3 | Confident | 142 Ų | 142 | 120.8 Ų | 120.8 | 66% | 0.664 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -68.7 | -23.9 | -176.7 | -58.6 | -178.7 | 151.6 | 0 | 0 | 112.9 | T430 | E426-T430 PolarHBondContact O-OG1 3.06Å |
| 427 | L | 79.3 | Confident | 75.6 | Confident | 106 Ų | 106 | 119.8 Ų | 119.8 | 56% | 0.555 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -74.3 | -23.1 | -175.6 | -177.5 | 60 | 0 | 0 | 0 | 114.3 | K425 T430 K431 | K425-L427 PolarHBondContact O-N 2.87Å; L427-T430 PolarHBondContact O-OG1 2.87Å; L427-K431 VanDerWaalsContact O-CE 3.27Å; L427-K431 WeakPolarHBondContact O-CE 3.44Å |
| 428 | D | 76.9 | Confident | 76.1 | Confident | 103 Ų | 103 | 117.2 Ų | 117.2 | 55% | 0.551 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -89.7 | -31.6 | -179.4 | -75.9 | -28.6 | 0 | 0 | 0 | 112.6 | T430 K431 | D428-T430 VanDerWaalsContact C-N 3.3Å; D428-T430 PolarHBondContact O-N 3.47Å; D428-K431 PolarHBondContact O-N 2.99Å; D428-K431 IonicContact OD1-NZ 2.6Å; D428-K431 PolarHBondContact OD1-NZ 3.18Å |
| 429 | E | 79 | Confident | 76.6 | Confident | 127 Ų | 127 | 118.5 Ų | 118.5 | 59% | 0.593 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -63.7 | -35.8 | 174.4 | -64.7 | -176.3 | 178.2 | 0 | 0 | 111.8 | K431 L432 | E429-K431 VanDerWaalsContact C-N 3.3Å; E429-K431 PolarHBondContact O-N 3.34Å; E429-L432 PolarHBondContact O-N 2.77Å |
| 430 | T | 75.3 | Confident | 76.8 | Confident | 89 Ų | 89 | 117.3 Ų | 117.3 | 55% | 0.546 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -66.5 | -27.6 | 178 | 15.9 | 0 | 0 | 0 | 0 | 113.8 | E426 L427 D428 | E426-T430 PolarHBondContact O-OG1 3.06Å; L427-T430 PolarHBondContact O-OG1 2.87Å; D428-T430 VanDerWaalsContact C-N 3.3Å; D428-T430 PolarHBondContact O-N 3.47Å |
| 431 | K | 79.1 | Confident | 77.1 | Confident | 112 Ų | 112 | 116.3 Ų | 116.3 | 49% | 0.487 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -72.1 | -38.5 | 179.5 | -65 | 167.1 | -168.1 | 160.8 | 0 | 111.7 | L427 D428 E429 I433 K434 | L427-K431 VanDerWaalsContact O-CE 3.27Å; L427-K431 WeakPolarHBondContact O-CE 3.44Å; D428-K431 PolarHBondContact O-N 2.99Å; D428-K431 IonicContact OD1-NZ 2.6Å; D428-K431 PolarHBondContact OD1-NZ 3.18Å; E429-K431 VanDerWaalsContact C-N 3.3Å; E429-K431 PolarHBondContact O-N 3.34Å; K431-I433 VanDerWaalsContact C-N 3.34Å; K431-I433 PolarHBondContact O-N 3.41Å; K431-K434 PolarHBondContact O-N 2.71Å |
| 432 | L | 81.1 | Confident | 77.4 | Confident | 116 Ų | 116 | 112.3 Ų | 112.3 | 61% | 0.607 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -63.4 | -39.1 | -177.4 | -175.1 | 62.2 | 0 | 0 | 0 | 112.4 | E429 K434 | E429-L432 PolarHBondContact O-N 2.77Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 2.82Å |
| 433 | I | 79.3 | Confident | 77.8 | Confident | 102 Ų | 102 | 109.9 Ų | 109.9 | 52% | 0.523 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -64.7 | -34.6 | 179 | -62 | 172.8 | 0 | 0 | 0 | 111.5 | K431 Q436 | K431-I433 VanDerWaalsContact C-N 3.34Å; K431-I433 PolarHBondContact O-N 3.41Å; I433-Q436 PolarHBondContact O-N 2.77Å |
| 434 | K | 80.2 | Confident | 78 | Confident | 121 Ų | 121 | 110.4 Ų | 110.4 | 53% | 0.526 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -62.8 | -48.3 | -178.1 | -175.4 | 175.7 | 178 | -75.5 | 0 | 112.1 | K431 L432 Q436 L437 E438 | K431-K434 PolarHBondContact O-N 2.71Å; L432-K434 VanDerWaalsContact C-N 3.31Å; L432-K434 PolarHBondContact O-N 2.82Å; K434-Q436 VanDerWaalsContact C-N 3.28Å; K434-Q436 PolarHBondContact O-N 3.36Å; K434-L437 PolarHBondContact O-N 2.81Å; K434-L437 VanDerWaalsContact O-N 3.1Å; K434-E438 IonicContact NZ-OE1 3.01Å; K434-E438 PolarHBondContact NZ-OE1 3.4Å; K434-E438 IonicContact NZ-OE2 2.73Å; K434-E438 PolarHBondContact NZ-OE2 3.15Å; K434-E438 PolarHBondContact O-N 2.82Å |
| 435 | S | 76.4 | Confident | 78.2 | Confident | 74 Ų | 74 | 112.7 Ų | 112.7 | 52% | 0.517 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -63.1 | -33.4 | -178 | -60.8 | 0 | 0 | 0 | 0 | 112.9 | L437 E438 E439 | S435-L437 PolarHBondContact O-N 3.27Å; S435-E438 PolarHBondContact O-N 2.88Å; S435-E439 PolarHBondContact O-N 3.49Å |
| 436 | Q | 78.6 | Confident | 78.6 | Confident | 119 Ų | 119 | 111.3 Ų | 111.3 | 56% | 0.556 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -67.8 | -21.2 | 176.6 | -66.5 | -179.8 | -9.8 | 0 | 0 | 113.7 | I433 K434 | I433-Q436 PolarHBondContact O-N 2.77Å; K434-Q436 VanDerWaalsContact C-N 3.28Å; K434-Q436 PolarHBondContact O-N 3.36Å |
| 437 | L | 75.1 | Confident | 78.9 | Confident | 99 Ų | 99 | 110.2 Ų | 110.2 | 52% | 0.518 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -85.5 | -33.8 | 175 | -65.9 | 173.2 | 0 | 0 | 0 | 111.9 | K434 S435 R440 L441 | K434-L437 PolarHBondContact O-N 2.81Å; K434-L437 VanDerWaalsContact O-N 3.1Å; S435-L437 PolarHBondContact O-N 3.27Å; L437-R440 PolarHBondContact O-N 3.31Å; L437-L441 PolarHBondContact O-N 3.42Å |
| 438 | E | 78.8 | Confident | 78.7 | Confident | 100 Ų | 100 | 110.8 Ų | 110.8 | 47% | 0.467 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.1 | -42.6 | 179.4 | -67.8 | 174.6 | 148.7 | 0 | 0 | 111.5 | K434 S435 R440 L441 | K434-E438 IonicContact NZ-OE1 3.01Å; K434-E438 PolarHBondContact NZ-OE1 3.4Å; K434-E438 IonicContact NZ-OE2 2.73Å; K434-E438 PolarHBondContact NZ-OE2 3.15Å; K434-E438 PolarHBondContact O-N 2.82Å; S435-E438 PolarHBondContact O-N 2.88Å; E438-R440 VanDerWaalsContact C-N 3.3Å; E438-R440 PolarHBondContact O-N 3.44Å; E438-L441 PolarHBondContact O-N 3.39Å |
| 439 | E | 79.6 | Confident | 78.9 | Confident | 133 Ų | 133 | 112.9 Ų | 112.9 | 62% | 0.621 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -58.8 | -40.8 | 173 | -176.1 | 174.9 | -163.3 | 0 | 0 | 112.2 | S435 L441 S442 I443 | S435-E439 PolarHBondContact O-N 3.49Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 2.9Å; E439-S442 WeakPolarHBondContact O-CB 3.46Å; E439-S442 PolarHBondContact O-N 2.89Å; E439-S442 VanDerWaalsContact O-N 3.17Å; E439-I443 PolarHBondContact O-N 3.32Å |
| 440 | R | 81.7 | Confident | 79.1 | Confident | 176 Ų | 176 | 111.2 Ų | 111.2 | 66% | 0.664 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -66.5 | -31.1 | -176.5 | -137.2 | 170.9 | -175.1 | 169.3 | 1 | 113.3 | L437 E438 L444 | L437-R440 PolarHBondContact O-N 3.31Å; E438-R440 VanDerWaalsContact C-N 3.3Å; E438-R440 PolarHBondContact O-N 3.44Å; R440-L444 WeakPolarHBondContact O-CD1 3.35Å; R440-L444 PolarHBondContact O-N 3.26Å |
| 441 | L | 74.1 | Confident | 79.1 | Confident | 120 Ų | 120 | 109.3 Ų | 109.3 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -71.7 | -33.8 | 175 | -72.6 | 168.7 | 0 | 0 | 0 | 112.2 | L437 E438 E439 T445 | L437-L441 PolarHBondContact O-N 3.42Å; E438-L441 PolarHBondContact O-N 3.39Å; E439-L441 VanDerWaalsContact C-N 3.32Å; E439-L441 PolarHBondContact O-N 2.9Å; L441-T445 PolarHBondContact O-N 3.11Å; L441-T445 PolarHBondContact O-OG1 3.33Å |
| 442 | S | 80.8 | Confident | 79.1 | Confident | 82 Ų | 82 | 109.6 Ų | 109.6 | 57% | 0.573 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -61.6 | -46 | 176.5 | -164.1 | 0 | 0 | 0 | 0 | 111.3 | E439 L444 T445 E446 | E439-S442 WeakPolarHBondContact O-CB 3.46Å; E439-S442 PolarHBondContact O-N 2.89Å; E439-S442 VanDerWaalsContact O-N 3.17Å; S442-L444 PolarHBondContact O-N 3.15Å; S442-T445 WeakPolarHBondContact O-CB 3.37Å; S442-T445 PolarHBondContact O-N 3.04Å; S442-E446 PolarHBondContact O-N 3.04Å |
| 443 | I | 83.2 | Confident | 79.1 | Confident | 83 Ų | 83 | 110.6 Ų | 110.6 | 43% | 0.426 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -65.6 | -40.9 | -176.9 | -61.3 | 171 | 0 | 0 | 0 | 111.9 | E439 T445 Q447 | E439-I443 PolarHBondContact O-N 3.32Å; I443-T445 VanDerWaalsContact C-N 3.28Å; I443-T445 PolarHBondContact O-N 2.92Å; I443-Q447 WeakPolarHBondContact O-CG 3.4Å; I443-Q447 PolarHBondContact O-N 3.21Å |
| 444 | L | 75.6 | Confident | 79.2 | Confident | 112 Ų | 112 | 111.2 Ų | 111.2 | 59% | 0.586 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64 | -33.9 | 175.2 | -95.4 | 86.5 | 0 | 0 | 0 | 112.7 | R440 S442 L448 | R440-L444 WeakPolarHBondContact O-CD1 3.35Å; R440-L444 PolarHBondContact O-N 3.26Å; S442-L444 PolarHBondContact O-N 3.15Å; L444-L448 PolarHBondContact O-N 3.5Å |
| 445 | T | 80.6 | Confident | 79.1 | Confident | 96 Ų | 96 | 110.1 Ų | 110.1 | 59% | 0.589 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -67.8 | -41.4 | -178.2 | -54 | 0 | 0 | 0 | 0 | 111.3 | L441 S442 I443 L448 Q449 | L441-T445 PolarHBondContact O-N 3.11Å; L441-T445 PolarHBondContact O-OG1 3.33Å; S442-T445 WeakPolarHBondContact O-CB 3.37Å; S442-T445 PolarHBondContact O-N 3.04Å; I443-T445 VanDerWaalsContact C-N 3.28Å; I443-T445 PolarHBondContact O-N 2.92Å; T445-L448 PolarHBondContact O-N 3.23Å; T445-Q449 PolarHBondContact O-N 3.35Å |
| 446 | E | 81.9 | Confident | 79.4 | Confident | 125 Ų | 125 | 112.8 Ų | 112.8 | 58% | 0.584 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -65.2 | -41.9 | 176.8 | -173.9 | 172.8 | -160.9 | 0 | 0 | 112.3 | S442 L448 Q449 I450 | S442-E446 PolarHBondContact O-N 3.04Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 2.95Å; E446-Q449 PolarHBondContact O-N 2.85Å; E446-I450 HydrophobicContact CG-CD1 4.29Å; E446-I450 WeakPolarHBondContact O-CG1 3.42Å; E446-I450 PolarHBondContact O-N 3.11Å; E446-I450 VanDerWaalsContact O-N 3.14Å |
| 447 | Q | 80.8 | Confident | 79.5 | Confident | 120 Ų | 120 | 113.3 Ų | 113.3 | 56% | 0.561 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -61.2 | -38.1 | 177.7 | -71.5 | 179.1 | 1.5 | 0 | 0 | 113 | I443 I450 A451 | I443-Q447 WeakPolarHBondContact O-CG 3.4Å; I443-Q447 PolarHBondContact O-N 3.21Å; Q447-I450 PolarHBondContact O-N 2.86Å; Q447-A451 PolarHBondContact O-N 2.93Å; Q447-A451 VanDerWaalsContact O-N 3.08Å |
| 448 | L | 75.7 | Confident | 79.6 | Confident | 117 Ų | 117 | 114.8 Ų | 114.8 | 61% | 0.613 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.7 | -41.1 | 178.6 | -158 | 160.1 | 0 | 0 | 0 | 111.1 | L444 T445 E446 I450 A451 Q452 | L444-L448 PolarHBondContact O-N 3.5Å; T445-L448 PolarHBondContact O-N 3.23Å; E446-L448 VanDerWaalsContact C-N 3.32Å; E446-L448 PolarHBondContact O-N 2.95Å; L448-I450 PolarHBondContact O-N 2.93Å; L448-A451 PolarHBondContact O-N 3.18Å; L448-Q452 PolarHBondContact O-N 2.84Å |
| 449 | Q | 79.7 | Confident | 79.7 | Confident | 148 Ų | 148 | 114.8 Ų | 114.8 | 69% | 0.692 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -67 | -34.7 | 178.4 | -157.7 | 172.7 | 30.6 | 0 | 0 | 112.7 | T445 E446 K453 | T445-Q449 PolarHBondContact O-N 3.35Å; E446-Q449 PolarHBondContact O-N 2.85Å; Q449-K453 PolarHBondContact O-N 3.31Å |
| 450 | I | 82.9 | Confident | 79.7 | Confident | 91 Ų | 91 | 110.4 Ų | 110.4 | 47% | 0.467 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -66.6 | -45.5 | 173.1 | -66.9 | 167 | 0 | 0 | 0 | 111 | E446 Q447 L448 Q452 K453 Q454 | E446-I450 HydrophobicContact CG-CD1 4.29Å; E446-I450 WeakPolarHBondContact O-CG1 3.42Å; E446-I450 PolarHBondContact O-N 3.11Å; E446-I450 VanDerWaalsContact O-N 3.14Å; Q447-I450 PolarHBondContact O-N 2.86Å; L448-I450 PolarHBondContact O-N 2.93Å; I450-Q452 VanDerWaalsContact C-N 3.34Å; I450-Q452 PolarHBondContact O-N 3.47Å; I450-K453 PolarHBondContact O-N 3.05Å; I450-Q454 PolarHBondContact O-N 2.62Å |
| 451 | A | 75.3 | Confident | 79.7 | Confident | 50 Ų | 50 | 107 Ų | 107 | 41% | 0.413 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -61.3 | -41.8 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | Q447 L448 K453 Q454 V455 | Q447-A451 PolarHBondContact O-N 2.93Å; Q447-A451 VanDerWaalsContact O-N 3.08Å; L448-A451 PolarHBondContact O-N 3.18Å; A451-K453 VanDerWaalsContact C-N 3.34Å; A451-K453 PolarHBondContact O-N 2.97Å; A451-Q454 PolarHBondContact O-N 2.92Å; A451-V455 PolarHBondContact O-N 3.38Å |
| 452 | Q | 79.1 | Confident | 80 | Confident | 117 Ų | 117 | 105.4 Ų | 105.4 | 55% | 0.547 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 179.2 | -168.6 | 164.5 | -4.7 | 0 | 0 | 112.2 | L448 I450 Q454 V455 E456 | L448-Q452 PolarHBondContact O-N 2.84Å; I450-Q452 VanDerWaalsContact C-N 3.34Å; I450-Q452 PolarHBondContact O-N 3.47Å; Q452-Q454 VanDerWaalsContact C-N 3.35Å; Q452-Q454 PolarHBondContact O-N 3.45Å; Q452-V455 PolarHBondContact O-N 3.44Å; Q452-E456 PolarHBondContact O-N 3.05Å |
| 453 | K | 81 | Confident | 79.9 | Confident | 137 Ų | 137 | 106 Ų | 106 | 60% | 0.596 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.6 | -33.9 | 176.3 | -166.7 | 176.3 | -177.5 | -179 | 0 | 113.3 | Q449 I450 A451 V455 E456 E457 | Q449-K453 PolarHBondContact O-N 3.31Å; I450-K453 PolarHBondContact O-N 3.05Å; A451-K453 VanDerWaalsContact C-N 3.34Å; A451-K453 PolarHBondContact O-N 2.97Å; K453-V455 VanDerWaalsContact C-N 3.33Å; K453-E456 PolarHBondContact O-N 3.07Å; K453-E457 PolarHBondContact O-N 3.06Å |
| 454 | Q | 81.5 | Confident | 79.9 | Confident | 115 Ų | 115 | 110.4 Ų | 110.4 | 54% | 0.537 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -67.8 | -32.1 | 176.1 | -69.1 | 179.5 | 0.9 | 0 | 0 | 112.5 | I450 A451 Q452 K458 | I450-Q454 PolarHBondContact O-N 2.62Å; A451-Q454 PolarHBondContact O-N 2.92Å; Q452-Q454 VanDerWaalsContact C-N 3.35Å; Q452-Q454 PolarHBondContact O-N 3.45Å; Q454-K458 WeakPolarHBondContact O-CB 3.39Å; Q454-K458 VanDerWaalsContact O-CG 3.27Å; Q454-K458 WeakPolarHBondContact O-CG 3.47Å; Q454-K458 PolarHBondContact O-N 2.8Å |
| 455 | V | 79.1 | Confident | 79.9 | Confident | 99 Ų | 99 | 107.6 Ų | 107.6 | 60% | 0.6 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.3 | -43.4 | 175 | 175.7 | 0 | 0 | 0 | 0 | 110.9 | A451 Q452 K453 K458 Q459 | A451-V455 PolarHBondContact O-N 3.38Å; Q452-V455 PolarHBondContact O-N 3.44Å; K453-V455 VanDerWaalsContact C-N 3.33Å; V455-K458 PolarHBondContact O-N 2.91Å; V455-Q459 PolarHBondContact O-N 3.03Å |
| 456 | E | 82.4 | Confident | 79.9 | Confident | 129 Ų | 129 | 106.8 Ų | 106.8 | 60% | 0.603 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -62.5 | -44.4 | 177.8 | -65.9 | 177.4 | 171.3 | 0 | 0 | 112.2 | Q452 K453 K458 Q459 A460 | Q452-E456 PolarHBondContact O-N 3.05Å; K453-E456 PolarHBondContact O-N 3.07Å; E456-K458 VanDerWaalsContact C-N 3.32Å; E456-K458 PolarHBondContact O-N 3.09Å; E456-Q459 PolarHBondContact O-N 2.83Å; E456-A460 PolarHBondContact O-N 3.29Å |
| 457 | E | 81.3 | Confident | 79.8 | Confident | 130 Ų | 130 | 104.4 Ų | 104.4 | 61% | 0.607 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.4 | -38 | 174.3 | -73.9 | -168 | 140.4 | 0 | 0 | 112.5 | K453 A460 Q461 | K453-E457 PolarHBondContact O-N 3.06Å; E457-A460 PolarHBondContact O-N 3.33Å; E457-Q461 WeakPolarHBondContact O-CB 3.37Å; E457-Q461 PolarHBondContact O-N 3.01Å |
| 458 | K | 77.5 | Confident | 79.9 | Confident | 131 Ų | 131 | 103 Ų | 103 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.4 | -38.6 | 177.5 | -72 | -71.5 | 159.4 | -163.4 | 0 | 112.5 | Q454 V455 E456 Q461 L462 | Q454-K458 WeakPolarHBondContact O-CB 3.39Å; Q454-K458 VanDerWaalsContact O-CG 3.27Å; Q454-K458 WeakPolarHBondContact O-CG 3.47Å; Q454-K458 PolarHBondContact O-N 2.8Å; V455-K458 PolarHBondContact O-N 2.91Å; E456-K458 VanDerWaalsContact C-N 3.32Å; E456-K458 PolarHBondContact O-N 3.09Å; K458-Q461 PolarHBondContact O-N 3.44Å; K458-L462 PolarHBondContact O-N 3.02Å |
| 459 | Q | 80.7 | Confident | 80 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 47% | 0.467 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -40.7 | 173.6 | -168.3 | 62.2 | 56.5 | 0 | 0 | 111.5 | V455 E456 Q461 L462 N463 | V455-Q459 PolarHBondContact O-N 3.03Å; E456-Q459 PolarHBondContact O-N 2.83Å; Q459-Q461 VanDerWaalsContact C-N 3.31Å; Q459-Q461 PolarHBondContact O-N 3.31Å; Q459-L462 PolarHBondContact O-N 2.78Å; Q459-N463 PolarHBondContact NE2-OD1 3.25Å; Q459-N463 VanDerWaalsContact O-CG 3.24Å; Q459-N463 PolarHBondContact O-N 2.88Å; Q459-N463 VanDerWaalsContact O-N 3.1Å; Q459-N463 PolarHBondContact O-OD1 3.06Å; Q459-N463 VanDerWaalsContact O-OD1 3.11Å |
| 460 | A | 78.9 | Confident | 79.9 | Confident | 41 Ų | 41 | 99 Ų | 99 | 34% | 0.339 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.8 | -32.1 | 174 | 0 | 0 | 0 | 0 | 0 | 113 | E456 E457 R464 | E456-A460 PolarHBondContact O-N 3.29Å; E457-A460 PolarHBondContact O-N 3.33Å; A460-R464 WeakPolarHBondContact O-CG 3.46Å; A460-R464 PolarHBondContact O-N 3.17Å |
| 461 | Q | 81.9 | Confident | 80 | Confident | 103 Ų | 103 | 103.1 Ų | 103.1 | 48% | 0.481 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.3 | -37.6 | 174.7 | -168.9 | 170.6 | 25.6 | 0 | 0 | 112.1 | E457 K458 Q459 S465 | E457-Q461 WeakPolarHBondContact O-CB 3.37Å; E457-Q461 PolarHBondContact O-N 3.01Å; K458-Q461 PolarHBondContact O-N 3.44Å; Q459-Q461 VanDerWaalsContact C-N 3.31Å; Q459-Q461 PolarHBondContact O-N 3.31Å; Q461-S465 PolarHBondContact O-N 3.01Å; Q461-S465 VanDerWaalsContact O-N 3.12Å; Q461-S465 PolarHBondContact O-OG 3.1Å |
| 462 | L | 79.8 | Confident | 80 | Confident | 87 Ų | 87 | 106.5 Ų | 106.5 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.2 | -54.3 | 175.6 | -177.2 | 61.2 | 0 | 0 | 0 | 111.2 | K458 Q459 R464 S465 D466 | K458-L462 PolarHBondContact O-N 3.02Å; Q459-L462 PolarHBondContact O-N 2.78Å; L462-R464 PolarHBondContact O-N 3Å; L462-R464 VanDerWaalsContact O-N 3.13Å; L462-S465 WeakPolarHBondContact O-CA 3.46Å; L462-S465 VanDerWaalsContact O-CB 3.3Å; L462-S465 WeakPolarHBondContact O-CB 3.35Å; L462-S465 PolarHBondContact O-N 3.37Å; L462-D466 PolarHBondContact O-N 2.83Å |
| 463 | N | 79.9 | Confident | 80 | Confident | 95 Ų | 95 | 104 Ų | 104 | 51% | 0.508 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -57.2 | -34.3 | -178.8 | -62.7 | 6.7 | 0 | 0 | 0 | 112.7 | Q459 S467 | Q459-N463 PolarHBondContact NE2-OD1 3.25Å; Q459-N463 VanDerWaalsContact O-CG 3.24Å; Q459-N463 PolarHBondContact O-N 2.88Å; Q459-N463 VanDerWaalsContact O-N 3.1Å; Q459-N463 PolarHBondContact O-OD1 3.06Å; Q459-N463 VanDerWaalsContact O-OD1 3.11Å; N463-S467 PolarHBondContact O-N 3.07Å |
| 464 | R | 81.3 | Confident | 80 | Confident | 175 Ų | 175 | 104.4 Ų | 104.4 | 66% | 0.66 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -69.1 | -41.3 | 172.6 | -74.5 | 174.5 | -179.5 | 146.5 | 1.5 | 112 | A460 L462 S467 I468 | A460-R464 WeakPolarHBondContact O-CG 3.46Å; A460-R464 PolarHBondContact O-N 3.17Å; L462-R464 PolarHBondContact O-N 3Å; L462-R464 VanDerWaalsContact O-N 3.13Å; R464-S467 PolarHBondContact O-N 3.47Å; R464-S467 PolarHBondContact O-OG 3.18Å; R464-I468 WeakPolarHBondContact O-CG1 3.26Å; R464-I468 PolarHBondContact O-N 3.31Å |
| 465 | S | 76.3 | Confident | 79.8 | Confident | 54 Ų | 54 | 103.2 Ų | 103.2 | 38% | 0.378 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.4 | -44.6 | 178.8 | -55.4 | 0 | 0 | 0 | 0 | 111.2 | Q461 L462 S467 I468 V469 | Q461-S465 PolarHBondContact O-N 3.01Å; Q461-S465 VanDerWaalsContact O-N 3.12Å; Q461-S465 PolarHBondContact O-OG 3.1Å; L462-S465 WeakPolarHBondContact O-CA 3.46Å; L462-S465 VanDerWaalsContact O-CB 3.3Å; L462-S465 WeakPolarHBondContact O-CB 3.35Å; L462-S465 PolarHBondContact O-N 3.37Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 3.35Å; S465-I468 PolarHBondContact O-N 3.11Å; S465-V469 WeakPolarHBondContact O-CG2 3.38Å; S465-V469 PolarHBondContact O-N 2.68Å |
| 466 | D | 81.5 | Confident | 79.9 | Confident | 78 Ų | 78 | 105.1 Ų | 105.1 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.3 | -36.9 | 176 | -65.9 | -36.6 | 0 | 0 | 0 | 112.4 | L462 I468 V469 N470 | L462-D466 PolarHBondContact O-N 2.83Å; D466-I468 VanDerWaalsContact C-N 3.3Å; D466-I468 PolarHBondContact O-N 3.18Å; D466-V469 PolarHBondContact O-N 2.84Å; D466-N470 WeakPolarHBondContact O-CB 3.29Å; D466-N470 PolarHBondContact O-N 2.8Å; D466-N470 PolarHBondContact O-ND2 3.29Å |
| 467 | S | 79.3 | Confident | 79.8 | Confident | 76 Ų | 76 | 105.9 Ų | 105.9 | 53% | 0.531 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.6 | -34.2 | 174.9 | 81.3 | 0 | 0 | 0 | 0 | 112.7 | N463 R464 S465 R471 | N463-S467 PolarHBondContact O-N 3.07Å; R464-S467 PolarHBondContact O-N 3.47Å; R464-S467 PolarHBondContact O-OG 3.18Å; S465-S467 VanDerWaalsContact C-N 3.3Å; S465-S467 PolarHBondContact O-N 3.35Å; S467-R471 PolarHBondContact O-N 3.14Å |
| 468 | I | 82 | Confident | 79.8 | Confident | 91 Ų | 91 | 107.5 Ų | 107.5 | 47% | 0.467 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -75.4 | -44.1 | 177.7 | -66.4 | 166.8 | 0 | 0 | 0 | 110.3 | R464 S465 D466 N470 R471 M472 | R464-I468 WeakPolarHBondContact O-CG1 3.26Å; R464-I468 PolarHBondContact O-N 3.31Å; S465-I468 PolarHBondContact O-N 3.11Å; D466-I468 VanDerWaalsContact C-N 3.3Å; D466-I468 PolarHBondContact O-N 3.18Å; I468-N470 PolarHBondContact O-N 2.92Å; I468-R471 WeakPolarHBondContact O-CB 3.36Å; I468-R471 PolarHBondContact O-N 3.39Å; I468-R471 VanDerWaalsContact O-N 3.15Å; I468-M472 HydrophobicContact CG2-CG 4.43Å; I468-M472 HydrophobicContact CG2-SD 4.04Å; I468-M472 WeakPolarHBondContact O-CG 3.48Å; I468-M472 PolarHBondContact O-N 2.92Å |
| 469 | V | 78.2 | Confident | 79.6 | Confident | 79 Ų | 79 | 104.6 Ų | 104.6 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.6 | -48.1 | 175 | 171.9 | 0 | 0 | 0 | 0 | 110.5 | S465 D466 R471 M472 S473 | S465-V469 WeakPolarHBondContact O-CG2 3.38Å; S465-V469 PolarHBondContact O-N 2.68Å; D466-V469 PolarHBondContact O-N 2.84Å; V469-R471 VanDerWaalsContact C-N 3.25Å; V469-R471 PolarHBondContact O-N 3.11Å; V469-M472 PolarHBondContact O-N 3.29Å; V469-M472 VanDerWaalsContact O-N 3.11Å; V469-S473 PolarHBondContact O-N 3.39Å; V469-S473 PolarHBondContact O-OG 3.16Å |
| 470 | N | 77.6 | Confident | 79.7 | Confident | 102 Ų | 102 | 104 Ų | 104 | 55% | 0.545 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.5 | -30.6 | 176.8 | -83.3 | -75.2 | 0 | 0 | 0 | 113.5 | D466 I468 K474 | D466-N470 WeakPolarHBondContact O-CB 3.29Å; D466-N470 PolarHBondContact O-N 2.8Å; D466-N470 PolarHBondContact O-ND2 3.29Å; I468-N470 PolarHBondContact O-N 2.92Å; N470-K474 WeakPolarHBondContact O-CG 3.49Å |
| 471 | R | 85.9 | Confident | 79.8 | Confident | 176 Ų | 176 | 106.5 Ų | 106.5 | 66% | 0.664 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -72.5 | -46.4 | 171.7 | -165 | 177.3 | 75.3 | 125.9 | 1.8 | 111.1 | S467 I468 V469 S473 K474 E475 | S467-R471 PolarHBondContact O-N 3.14Å; I468-R471 WeakPolarHBondContact O-CB 3.36Å; I468-R471 PolarHBondContact O-N 3.39Å; I468-R471 VanDerWaalsContact O-N 3.15Å; V469-R471 VanDerWaalsContact C-N 3.25Å; V469-R471 PolarHBondContact O-N 3.11Å; R471-S473 PolarHBondContact O-N 2.88Å; R471-K474 PolarHBondContact O-N 3Å; R471-E475 PolarHBondContact O-N 2.95Å; R471-E475 VanDerWaalsContact O-N 3.07Å |
| 472 | M | 75.7 | Confident | 79.7 | Confident | 122 Ų | 122 | 105.4 Ų | 105.4 | 60% | 0.601 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62 | -41 | 179 | -74.3 | 179.7 | 63.6 | 0 | 0 | 112.4 | I468 V469 K474 E475 F476 | I468-M472 HydrophobicContact CG2-CG 4.43Å; I468-M472 HydrophobicContact CG2-SD 4.04Å; I468-M472 WeakPolarHBondContact O-CG 3.48Å; I468-M472 PolarHBondContact O-N 2.92Å; V469-M472 PolarHBondContact O-N 3.29Å; V469-M472 VanDerWaalsContact O-N 3.11Å; M472-K474 VanDerWaalsContact C-N 3.27Å; M472-K474 PolarHBondContact O-N 3.42Å; M472-E475 PolarHBondContact O-N 2.98Å; M472-F476 VanDerWaalsContact O-CB 3.29Å; M472-F476 WeakPolarHBondContact O-CB 3.38Å; M472-F476 PolarHBondContact O-N 2.78Å |
| 473 | S | 77.7 | Confident | 79.6 | Confident | 64 Ų | 64 | 106.4 Ų | 106.4 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.5 | -27.8 | 176.1 | -60.6 | 0 | 0 | 0 | 0 | 113.4 | V469 R471 K477 | V469-S473 PolarHBondContact O-N 3.39Å; V469-S473 PolarHBondContact O-OG 3.16Å; R471-S473 PolarHBondContact O-N 2.88Å; S473-K477 WeakPolarHBondContact O-CG 3.28Å; S473-K477 PolarHBondContact O-N 2.93Å |
| 474 | K | 81.7 | Confident | 79.7 | Confident | 146 Ų | 146 | 106.4 Ų | 106.4 | 64% | 0.635 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -75.3 | -41.6 | 173.4 | -73.5 | 178.2 | 179.9 | -178.3 | 0 | 111.9 | N470 R471 M472 R478 | N470-K474 WeakPolarHBondContact O-CG 3.49Å; R471-K474 PolarHBondContact O-N 3Å; M472-K474 VanDerWaalsContact C-N 3.27Å; M472-K474 PolarHBondContact O-N 3.42Å; K474-R478 WeakPolarHBondContact O-CG 3.28Å; K474-R478 PolarHBondContact O-N 2.87Å |
| 475 | E | 77.7 | Confident | 79.8 | Confident | 89 Ų | 89 | 103.6 Ų | 103.6 | 42% | 0.416 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.4 | -42.1 | 173.7 | -65.6 | -55.3 | 106.6 | 0 | 0 | 111.9 | R471 M472 K477 R478 T479 | R471-E475 PolarHBondContact O-N 2.95Å; R471-E475 VanDerWaalsContact O-N 3.07Å; M472-E475 PolarHBondContact O-N 2.98Å; E475-K477 VanDerWaalsContact C-N 3.34Å; E475-K477 PolarHBondContact O-N 3.08Å; E475-R478 WeakPolarHBondContact O-CA 3.26Å; E475-R478 WeakPolarHBondContact O-CB 3.5Å; E475-R478 PolarHBondContact O-N 3.05Å; E475-R478 IonicContact OE1-CZ 2.67Å; E475-R478 IonicContact OE1-NE 2.76Å; E475-R478 IonicContact OE1-NH1 2.68Å; E475-R478 PolarHBondContact OE1-NH1 3.36Å; E475-T479 PolarHBondContact O-N 3.26Å; E475-T479 PolarHBondContact O-OG1 3.21Å |
| 476 | F | 79.7 | Confident | 79.8 | Confident | 139 Ų | 139 | 104 Ų | 104 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -43.7 | 178.8 | -168.1 | -88 | 0 | 0 | 0 | 111.9 | M472 R478 T479 Q480 | M472-F476 VanDerWaalsContact O-CB 3.29Å; M472-F476 WeakPolarHBondContact O-CB 3.38Å; M472-F476 PolarHBondContact O-N 2.78Å; F476-R478 VanDerWaalsContact C-N 3.35Å; F476-R478 PolarHBondContact O-N 3.33Å; F476-T479 WeakPolarHBondContact CA-OG1 3.37Å; F476-T479 PolarHBondContact O-N 3.07Å; F476-T479 PolarHBondContact O-OG1 2.8Å; F476-Q480 WeakPolarHBondContact O-CB 3.47Å; F476-Q480 PolarHBondContact O-N 3.44Å |
| 477 | K | 80.9 | Confident | 79.7 | Confident | 146 Ų | 146 | 102.4 Ų | 102.4 | 64% | 0.635 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.1 | -37.2 | 173.9 | -76.1 | -172 | 175.9 | -166.2 | 0 | 112.8 | S473 E475 I481 | S473-K477 WeakPolarHBondContact O-CG 3.28Å; S473-K477 PolarHBondContact O-N 2.93Å; E475-K477 VanDerWaalsContact C-N 3.34Å; E475-K477 PolarHBondContact O-N 3.08Å; K477-I481 WeakPolarHBondContact O-CG1 3.49Å; K477-I481 PolarHBondContact O-N 3.07Å |
| 478 | R | 80.7 | Confident | 79.7 | Confident | 163 Ų | 163 | 105.7 Ų | 105.7 | 62% | 0.615 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.8 | -48.8 | 174.1 | -72 | 166.6 | 166.7 | 174.9 | -9.3 | 111.3 | K474 E475 F476 Q480 I481 T482 | K474-R478 WeakPolarHBondContact O-CG 3.28Å; K474-R478 PolarHBondContact O-N 2.87Å; E475-R478 WeakPolarHBondContact O-CA 3.26Å; E475-R478 WeakPolarHBondContact O-CB 3.5Å; E475-R478 PolarHBondContact O-N 3.05Å; E475-R478 IonicContact OE1-CZ 2.67Å; E475-R478 IonicContact OE1-NE 2.76Å; E475-R478 IonicContact OE1-NH1 2.68Å; E475-R478 PolarHBondContact OE1-NH1 3.36Å; F476-R478 VanDerWaalsContact C-N 3.35Å; F476-R478 PolarHBondContact O-N 3.33Å; R478-Q480 VanDerWaalsContact C-N 3.32Å; R478-Q480 PolarHBondContact O-N 3.27Å; R478-I481 PolarHBondContact O-N 2.82Å; R478-T482 PolarHBondContact O-N 2.83Å; R478-T482 VanDerWaalsContact O-N 3.16Å; R478-T482 PolarHBondContact O-OG1 3.49Å |
| 479 | T | 73.8 | Confident | 79.7 | Confident | 70 Ų | 70 | 108.4 Ų | 108.4 | 43% | 0.429 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.8 | -33.1 | 178.5 | 49.9 | 0 | 0 | 0 | 0 | 112.9 | E475 F476 T482 I483 | E475-T479 PolarHBondContact O-N 3.26Å; E475-T479 PolarHBondContact O-OG1 3.21Å; F476-T479 WeakPolarHBondContact CA-OG1 3.37Å; F476-T479 PolarHBondContact O-N 3.07Å; F476-T479 PolarHBondContact O-OG1 2.8Å; T479-T482 WeakPolarHBondContact CA-OG1 3.28Å; T479-T482 PolarHBondContact O-N 3.33Å; T479-I483 WeakPolarHBondContact O-CB 3.46Å; T479-I483 WeakPolarHBondContact O-CD1 3.48Å; T479-I483 VanDerWaalsContact O-CG1 3.22Å; T479-I483 WeakPolarHBondContact O-CG1 3.18Å; T479-I483 PolarHBondContact O-N 2.8Å |
| 480 | Q | 82.5 | Confident | 79.8 | Confident | 87 Ų | 87 | 109 Ų | 109 | 41% | 0.407 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -62.2 | -48.7 | 175.6 | 178.5 | 172.6 | -6.6 | 0 | 0 | 111.1 | F476 R478 T482 I483 E484 | F476-Q480 WeakPolarHBondContact O-CB 3.47Å; F476-Q480 PolarHBondContact O-N 3.44Å; R478-Q480 VanDerWaalsContact C-N 3.32Å; R478-Q480 PolarHBondContact O-N 3.27Å; Q480-T482 VanDerWaalsContact C-N 3.33Å; Q480-T482 PolarHBondContact O-N 2.77Å; Q480-I483 PolarHBondContact O-N 3.05Å; Q480-I483 VanDerWaalsContact O-N 3.15Å; Q480-E484 HydrophobicContact CG-CG 4.5Å; Q480-E484 WeakPolarHBondContact CG-OE1 3.37Å; Q480-E484 PolarHBondContact NE2-OE1 3.5Å; Q480-E484 WeakPolarHBondContact O-CG 3.44Å; Q480-E484 PolarHBondContact O-N 3.23Å |
| 481 | I | 81 | Confident | 79.9 | Confident | 94 Ų | 94 | 109.6 Ų | 109.6 | 48% | 0.482 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.2 | -44.4 | 176.6 | -65.8 | 164.8 | 0 | 0 | 0 | 110.7 | K477 R478 I483 E484 E485 | K477-I481 WeakPolarHBondContact O-CG1 3.49Å; K477-I481 PolarHBondContact O-N 3.07Å; R478-I481 PolarHBondContact O-N 2.82Å; I481-I483 VanDerWaalsContact C-N 3.31Å; I481-I483 PolarHBondContact O-N 3.22Å; I481-E484 PolarHBondContact O-N 2.89Å; I481-E485 HydrophobicContact CG2-CG 4.42Å; I481-E485 WeakPolarHBondContact O-CB 3.48Å; I481-E485 WeakPolarHBondContact O-CG 3.17Å; I481-E485 PolarHBondContact O-N 3.46Å |
| 482 | T | 79.7 | Confident | 79.5 | Confident | 80 Ų | 80 | 104.3 Ų | 104.3 | 49% | 0.491 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.3 | -32.2 | 178.5 | 1.2 | 0 | 0 | 0 | 0 | 112.9 | R478 T479 Q480 S486 | R478-T482 PolarHBondContact O-N 2.83Å; R478-T482 VanDerWaalsContact O-N 3.16Å; R478-T482 PolarHBondContact O-OG1 3.49Å; T479-T482 WeakPolarHBondContact CA-OG1 3.28Å; T479-T482 PolarHBondContact O-N 3.33Å; Q480-T482 VanDerWaalsContact C-N 3.33Å; Q480-T482 PolarHBondContact O-N 2.77Å; T482-S486 VanDerWaalsContact O-CB 3.28Å; T482-S486 WeakPolarHBondContact O-CB 3.5Å; T482-S486 PolarHBondContact O-N 3.39Å; T482-S486 PolarHBondContact O-OG 2.89Å |
| 483 | I | 78.2 | Confident | 79.6 | Confident | 108 Ų | 108 | 103.1 Ų | 103.1 | 55% | 0.554 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -68.8 | -45.1 | 174.1 | -72.6 | 165.1 | 0 | 0 | 0 | 110.3 | T479 Q480 I481 S486 A487 | T479-I483 WeakPolarHBondContact O-CB 3.46Å; T479-I483 WeakPolarHBondContact O-CD1 3.48Å; T479-I483 VanDerWaalsContact O-CG1 3.22Å; T479-I483 WeakPolarHBondContact O-CG1 3.18Å; T479-I483 PolarHBondContact O-N 2.8Å; Q480-I483 PolarHBondContact O-N 3.05Å; Q480-I483 VanDerWaalsContact O-N 3.15Å; I481-I483 VanDerWaalsContact C-N 3.31Å; I481-I483 PolarHBondContact O-N 3.22Å; I483-S486 WeakPolarHBondContact CA-OG 3.35Å; I483-S486 PolarHBondContact O-N 2.85Å; I483-S486 PolarHBondContact O-OG 2.93Å; I483-A487 WeakPolarHBondContact O-CB 3.49Å; I483-A487 PolarHBondContact O-N 3.04Å |
| 484 | E | 83 | Confident | 79.8 | Confident | 95 Ų | 95 | 107 Ų | 107 | 44% | 0.444 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63 | -44.7 | 178.8 | -72.2 | 164.8 | -177 | 0 | 0 | 111.7 | Q480 I481 S486 A487 Q488 | Q480-E484 HydrophobicContact CG-CG 4.5Å; Q480-E484 WeakPolarHBondContact CG-OE1 3.37Å; Q480-E484 PolarHBondContact NE2-OE1 3.5Å; Q480-E484 WeakPolarHBondContact O-CG 3.44Å; Q480-E484 PolarHBondContact O-N 3.23Å; I481-E484 PolarHBondContact O-N 2.89Å; E484-S486 PolarHBondContact O-N 2.78Å; E484-A487 PolarHBondContact O-N 3.45Å; E484-Q488 WeakPolarHBondContact O-CG 3.39Å; E484-Q488 PolarHBondContact O-N 3.48Å; E484-Q488 VanDerWaalsContact O-N 3.08Å |
| 485 | E | 81.7 | Confident | 79.6 | Confident | 116 Ų | 116 | 101.8 Ų | 101.8 | 54% | 0.542 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -59 | -44.2 | 170.7 | -72 | 174.2 | 169.4 | 0 | 0 | 112.1 | I481 A487 Q488 K489 | I481-E485 HydrophobicContact CG2-CG 4.42Å; I481-E485 WeakPolarHBondContact O-CB 3.48Å; I481-E485 WeakPolarHBondContact O-CG 3.17Å; I481-E485 PolarHBondContact O-N 3.46Å; E485-A487 VanDerWaalsContact C-N 3.34Å; E485-A487 PolarHBondContact O-N 2.98Å; E485-Q488 PolarHBondContact O-N 3.33Å; E485-K489 PolarHBondContact O-N 3.24Å |
| 486 | S | 78.1 | Confident | 79.7 | Confident | 63 Ų | 63 | 103.2 Ų | 103.2 | 44% | 0.441 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.3 | -36.9 | 178.6 | 79.2 | 0 | 0 | 0 | 0 | 112.4 | T482 I483 E484 K489 V490 | T482-S486 VanDerWaalsContact O-CB 3.28Å; T482-S486 WeakPolarHBondContact O-CB 3.5Å; T482-S486 PolarHBondContact O-N 3.39Å; T482-S486 PolarHBondContact O-OG 2.89Å; I483-S486 WeakPolarHBondContact CA-OG 3.35Å; I483-S486 PolarHBondContact O-N 2.85Å; I483-S486 PolarHBondContact O-OG 2.93Å; E484-S486 PolarHBondContact O-N 2.78Å; S486-K489 PolarHBondContact O-N 2.74Å; S486-V490 WeakPolarHBondContact O-CG2 3.19Å; S486-V490 PolarHBondContact O-N 2.98Å |
| 487 | A | 78.8 | Confident | 79.6 | Confident | 45 Ų | 45 | 102 Ų | 102 | 37% | 0.372 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -68 | -41.3 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | I483 E484 E485 K489 V490 N491 | I483-A487 WeakPolarHBondContact O-CB 3.49Å; I483-A487 PolarHBondContact O-N 3.04Å; E484-A487 PolarHBondContact O-N 3.45Å; E485-A487 VanDerWaalsContact C-N 3.34Å; E485-A487 PolarHBondContact O-N 2.98Å; A487-K489 VanDerWaalsContact C-N 3.29Å; A487-K489 PolarHBondContact O-N 3.35Å; A487-V490 PolarHBondContact O-N 2.83Å; A487-N491 WeakPolarHBondContact O-CB 3.31Å; A487-N491 PolarHBondContact O-N 2.9Å; A487-N491 PolarHBondContact O-ND2 3.42Å |
| 488 | Q | 79.5 | Confident | 79.7 | Confident | 144 Ų | 144 | 101 Ų | 101 | 67% | 0.673 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.5 | -38.3 | 171.5 | -68.6 | -177.5 | 9.8 | 0 | 0 | 111.8 | E484 E485 N491 S492 | E484-Q488 WeakPolarHBondContact O-CG 3.39Å; E484-Q488 PolarHBondContact O-N 3.48Å; E484-Q488 VanDerWaalsContact O-N 3.08Å; E485-Q488 PolarHBondContact O-N 3.33Å; Q488-N491 PolarHBondContact O-N 3.14Å; Q488-S492 PolarHBondContact O-N 3.35Å; Q488-S492 PolarHBondContact O-OG 3.05Å |
| 489 | K | 82.5 | Confident | 79.6 | Confident | 148 Ų | 148 | 96.5 Ų | 96.5 | 64% | 0.643 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -71.2 | -36.7 | 177.7 | -160.7 | 148.8 | -172.1 | 168.4 | 0 | 113.2 | E485 S486 A487 S492 L493 | E485-K489 PolarHBondContact O-N 3.24Å; S486-K489 PolarHBondContact O-N 2.74Å; A487-K489 VanDerWaalsContact C-N 3.29Å; A487-K489 PolarHBondContact O-N 3.35Å; K489-S492 WeakPolarHBondContact CA-OG 3.31Å; K489-S492 PolarHBondContact O-OG 3.24Å; K489-S492 VanDerWaalsContact O-OG 3.08Å; K489-L493 HydrophobicContact CG-CD1 4.44Å; K489-L493 WeakPolarHBondContact O-CB 3.38Å; K489-L493 VanDerWaalsContact O-CG 3.28Å; K489-L493 WeakPolarHBondContact O-CG 3.46Å; K489-L493 PolarHBondContact O-N 3.47Å; K489-L493 VanDerWaalsContact O-N 3.1Å |
| 490 | V | 80.4 | Confident | 79.6 | Confident | 93 Ų | 93 | 97 Ų | 97 | 56% | 0.564 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -63.9 | -45 | 171.1 | 168.9 | 0 | 0 | 0 | 0 | 110.9 | S486 A487 S492 L493 F494 | S486-V490 WeakPolarHBondContact O-CG2 3.19Å; S486-V490 PolarHBondContact O-N 2.98Å; A487-V490 PolarHBondContact O-N 2.83Å; V490-S492 PolarHBondContact O-N 2.91Å; V490-L493 PolarHBondContact O-N 3.38Å; V490-F494 WeakPolarHBondContact O-CB 3.36Å; V490-F494 PolarHBondContact O-N 3.2Å |
| 491 | N | 78.8 | Confident | 79.5 | Confident | 114 Ų | 114 | 97.6 Ų | 97.6 | 61% | 0.61 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.7 | -41.3 | 179.8 | -75.3 | -21.9 | 0 | 0 | 0 | 112.9 | A487 Q488 F494 G495 | A487-N491 WeakPolarHBondContact O-CB 3.31Å; A487-N491 PolarHBondContact O-N 2.9Å; A487-N491 PolarHBondContact O-ND2 3.42Å; Q488-N491 PolarHBondContact O-N 3.14Å; N491-F494 PolarHBondContact O-N 2.96Å; N491-G495 PolarHBondContact O-N 3.33Å |
| 492 | S | 78.5 | Confident | 79.5 | Confident | 64 Ų | 64 | 98 Ų | 98 | 45% | 0.448 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.5 | -39.8 | 176.1 | 47.5 | 0 | 0 | 0 | 0 | 112.6 | Q488 K489 V490 F494 G495 Q496 | Q488-S492 PolarHBondContact O-N 3.35Å; Q488-S492 PolarHBondContact O-OG 3.05Å; K489-S492 WeakPolarHBondContact CA-OG 3.31Å; K489-S492 PolarHBondContact O-OG 3.24Å; K489-S492 VanDerWaalsContact O-OG 3.08Å; V490-S492 PolarHBondContact O-N 2.91Å; S492-F494 VanDerWaalsContact C-N 3.34Å; S492-F494 PolarHBondContact O-N 3.39Å; S492-G495 PolarHBondContact O-N 2.96Å; S492-Q496 WeakPolarHBondContact O-CG 3.45Å; S492-Q496 PolarHBondContact O-N 2.92Å |
| 493 | L | 77.2 | Confident | 79.6 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 51% | 0.508 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -64.7 | -35.9 | 172.1 | -71.8 | 170.6 | 0 | 0 | 0 | 112.4 | K489 V490 Q496 L497 | K489-L493 HydrophobicContact CG-CD1 4.44Å; K489-L493 WeakPolarHBondContact O-CB 3.38Å; K489-L493 VanDerWaalsContact O-CG 3.28Å; K489-L493 WeakPolarHBondContact O-CG 3.46Å; K489-L493 PolarHBondContact O-N 3.47Å; K489-L493 VanDerWaalsContact O-N 3.1Å; V490-L493 PolarHBondContact O-N 3.38Å; L493-Q496 PolarHBondContact O-N 3.1Å; L493-L497 WeakPolarHBondContact O-CB 3.33Å; L493-L497 PolarHBondContact O-N 3.4Å |
| 494 | F | 81.6 | Confident | 79.7 | Confident | 147 Ų | 147 | 101.1 Ų | 101.1 | 65% | 0.645 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.9 | -37.1 | 175.8 | -159.2 | -91.5 | 0 | 0 | 0 | 112.1 | V490 N491 S492 L497 K498 | V490-F494 WeakPolarHBondContact O-CB 3.36Å; V490-F494 PolarHBondContact O-N 3.2Å; N491-F494 PolarHBondContact O-N 2.96Å; S492-F494 VanDerWaalsContact C-N 3.34Å; S492-F494 PolarHBondContact O-N 3.39Å; F494-L497 PolarHBondContact O-N 2.86Å; F494-K498 PolarHBondContact O-N 2.93Å |
| 495 | G | 77 | Confident | 79.6 | Confident | 36 Ų | 36 | 100.4 Ų | 100.4 | 37% | 0.371 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.8 | -38.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N491 S492 K498 T499 | N491-G495 PolarHBondContact O-N 3.33Å; S492-G495 PolarHBondContact O-N 2.96Å; G495-K498 PolarHBondContact O-N 2.83Å; G495-T499 PolarHBondContact O-N 3.21Å; G495-T499 VanDerWaalsContact O-N 3.07Å; G495-T499 PolarHBondContact O-OG1 3.33Å |
| 496 | Q | 80.2 | Confident | 79.6 | Confident | 119 Ų | 119 | 96.1 Ų | 96.1 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -67.6 | -39.5 | 173.4 | -70.2 | 176.3 | 2.9 | 0 | 0 | 112 | S492 L493 T499 T500 | S492-Q496 WeakPolarHBondContact O-CG 3.45Å; S492-Q496 PolarHBondContact O-N 2.92Å; L493-Q496 PolarHBondContact O-N 3.1Å; Q496-T499 PolarHBondContact O-OG1 2.87Å; Q496-T500 WeakPolarHBondContact O-CB 3.4Å; Q496-T500 WeakPolarHBondContact O-CG2 3.4Å; Q496-T500 PolarHBondContact O-N 2.94Å; Q496-T500 PolarHBondContact O-OG1 3.24Å |
| 497 | L | 78.5 | Confident | 79.5 | Confident | 112 Ų | 112 | 95.5 Ų | 95.5 | 59% | 0.586 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -62.8 | -43.7 | 174.8 | -170.1 | 71.9 | 0 | 0 | 0 | 111.6 | L493 F494 T500 Q501 | L493-L497 WeakPolarHBondContact O-CB 3.33Å; L493-L497 PolarHBondContact O-N 3.4Å; F494-L497 PolarHBondContact O-N 2.86Å; L497-T500 WeakPolarHBondContact CA-OG1 3.43Å; L497-T500 PolarHBondContact O-N 2.9Å; L497-T500 PolarHBondContact O-OG1 2.97Å; L497-Q501 WeakPolarHBondContact O-CB 3.23Å; L497-Q501 PolarHBondContact O-N 3.24Å |
| 498 | K | 82.6 | Confident | 79.6 | Confident | 125 Ų | 125 | 97.7 Ų | 97.7 | 54% | 0.543 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.2 | -51.1 | 176.5 | -178.8 | 177.6 | 168 | -178.8 | 0 | 111.8 | F494 G495 T500 Q501 E502 | F494-K498 PolarHBondContact O-N 2.93Å; G495-K498 PolarHBondContact O-N 2.83Å; K498-T500 VanDerWaalsContact C-N 3.28Å; K498-T500 PolarHBondContact O-N 2.75Å; K498-Q501 PolarHBondContact O-N 2.66Å; K498-E502 WeakPolarHBondContact CE-OE1 3.27Å; K498-E502 IonicContact NZ-OE1 2.72Å; K498-E502 WeakPolarHBondContact O-CG 3.38Å; K498-E502 PolarHBondContact O-N 2.9Å |
| 499 | T | 78.1 | Confident | 79.6 | Confident | 69 Ų | 69 | 97.7 Ų | 97.7 | 42% | 0.423 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69.3 | -22.4 | -178.1 | 51.5 | 0 | 0 | 0 | 0 | 113.7 | G495 Q496 K503 | G495-T499 PolarHBondContact O-N 3.21Å; G495-T499 VanDerWaalsContact O-N 3.07Å; G495-T499 PolarHBondContact O-OG1 3.33Å; Q496-T499 PolarHBondContact O-OG1 2.87Å; T499-K503 VanDerWaalsContact O-CG 3.29Å; T499-K503 WeakPolarHBondContact O-CG 3.22Å; T499-K503 PolarHBondContact O-N 2.86Å |
| 500 | T | 73.8 | Confident | 79.5 | Confident | 82 Ų | 82 | 97 Ų | 97 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.7 | -36.5 | 170.1 | 46.1 | 0 | 0 | 0 | 0 | 112.3 | Q496 L497 K498 K503 L504 | Q496-T500 WeakPolarHBondContact O-CB 3.4Å; Q496-T500 WeakPolarHBondContact O-CG2 3.4Å; Q496-T500 PolarHBondContact O-N 2.94Å; Q496-T500 PolarHBondContact O-OG1 3.24Å; L497-T500 WeakPolarHBondContact CA-OG1 3.43Å; L497-T500 PolarHBondContact O-N 2.9Å; L497-T500 PolarHBondContact O-OG1 2.97Å; K498-T500 VanDerWaalsContact C-N 3.28Å; K498-T500 PolarHBondContact O-N 2.75Å; T500-K503 PolarHBondContact O-N 2.87Å; T500-L504 WeakPolarHBondContact O-CB 3.47Å; T500-L504 PolarHBondContact O-N 3.31Å |
| 501 | Q | 81.5 | Confident | 79.4 | Confident | 98 Ų | 98 | 97.9 Ų | 97.9 | 46% | 0.458 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64 | -41.3 | 172.2 | -173.4 | 64.1 | 60 | 0 | 0 | 112.2 | L497 K498 K503 L504 N505 | L497-Q501 WeakPolarHBondContact O-CB 3.23Å; L497-Q501 PolarHBondContact O-N 3.24Å; K498-Q501 PolarHBondContact O-N 2.66Å; Q501-K503 VanDerWaalsContact C-N 3.34Å; Q501-K503 PolarHBondContact O-N 3.14Å; Q501-L504 PolarHBondContact O-N 3.26Å; Q501-N505 PolarHBondContact NE2-OD1 3.28Å; Q501-N505 VanDerWaalsContact O-CG 3.26Å; Q501-N505 PolarHBondContact O-N 2.98Å; Q501-N505 PolarHBondContact O-OD1 3.26Å |
| 502 | E | 80 | Confident | 79.4 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 176.4 | -72.4 | 167.3 | 158.4 | 0 | 0 | 111.5 | K498 N505 G506 | K498-E502 WeakPolarHBondContact CE-OE1 3.27Å; K498-E502 IonicContact NZ-OE1 2.72Å; K498-E502 WeakPolarHBondContact O-CG 3.38Å; K498-E502 PolarHBondContact O-N 2.9Å; E502-N505 PolarHBondContact O-N 3.46Å; E502-G506 PolarHBondContact O-N 3.37Å |
| 503 | K | 80.7 | Confident | 79.5 | Confident | 162 Ų | 162 | 99.4 Ų | 99.4 | 70% | 0.704 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.9 | -38.6 | 173.6 | -73.9 | 174.1 | -179.5 | -177 | 0 | 113.2 | T499 T500 Q501 N505 A507 | T499-K503 VanDerWaalsContact O-CG 3.29Å; T499-K503 WeakPolarHBondContact O-CG 3.22Å; T499-K503 PolarHBondContact O-N 2.86Å; T500-K503 PolarHBondContact O-N 2.87Å; Q501-K503 VanDerWaalsContact C-N 3.34Å; Q501-K503 PolarHBondContact O-N 3.14Å; K503-N505 VanDerWaalsContact C-N 3.34Å; K503-A507 WeakPolarHBondContact O-CB 3.28Å; K503-A507 PolarHBondContact O-N 2.86Å |
| 504 | L | 81.9 | Confident | 79.6 | Confident | 92 Ų | 92 | 99.2 Ų | 99.2 | 48% | 0.482 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 176.5 | -179.1 | 61.8 | 0 | 0 | 0 | 111.7 | T500 Q501 N508 | T500-L504 WeakPolarHBondContact O-CB 3.47Å; T500-L504 PolarHBondContact O-N 3.31Å; Q501-L504 PolarHBondContact O-N 3.26Å; L504-N508 PolarHBondContact O-N 2.79Å; L504-N508 PolarHBondContact O-ND2 2.72Å |
| 505 | N | 81.1 | Confident | 79.4 | Confident | 80 Ų | 80 | 96.4 Ų | 96.4 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64 | -51.2 | 176.4 | -67.6 | 2.4 | 0 | 0 | 0 | 111.1 | Q501 E502 K503 A507 N508 E509 | Q501-N505 PolarHBondContact NE2-OD1 3.28Å; Q501-N505 VanDerWaalsContact O-CG 3.26Å; Q501-N505 PolarHBondContact O-N 2.98Å; Q501-N505 PolarHBondContact O-OD1 3.26Å; E502-N505 PolarHBondContact O-N 3.46Å; K503-N505 VanDerWaalsContact C-N 3.34Å; N505-A507 VanDerWaalsContact C-N 3.3Å; N505-A507 PolarHBondContact O-N 3.01Å; N505-N508 WeakPolarHBondContact O-CB 3.39Å; N505-N508 PolarHBondContact O-N 3.4Å; N505-N508 VanDerWaalsContact O-N 3.09Å; N505-E509 PolarHBondContact O-N 2.69Å; N505-E509 VanDerWaalsContact O-N 3.1Å |
| 506 | G | 80.8 | Confident | 79.5 | Confident | 26 Ų | 26 | 98.2 Ų | 98.2 | 27% | 0.268 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -33.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | E502 E509 Q510 | E502-G506 PolarHBondContact O-N 3.37Å; G506-E509 PolarHBondContact O-N 2.91Å; G506-Q510 WeakPolarHBondContact O-CG 3.42Å; G506-Q510 PolarHBondContact O-N 3.31Å; G506-Q510 VanDerWaalsContact O-N 3.08Å |
| 507 | A | 76.9 | Confident | 79.4 | Confident | 51 Ų | 51 | 96.3 Ų | 96.3 | 42% | 0.421 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.1 | -36.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | K503 N505 L511 | K503-A507 WeakPolarHBondContact O-CB 3.28Å; K503-A507 PolarHBondContact O-N 2.86Å; N505-A507 VanDerWaalsContact C-N 3.3Å; N505-A507 PolarHBondContact O-N 3.01Å; A507-L511 WeakPolarHBondContact O-CB 3.4Å; A507-L511 PolarHBondContact O-N 3.41Å |
| 508 | N | 79.8 | Confident | 79.5 | Confident | 91 Ų | 91 | 97 Ų | 97 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.7 | -35.6 | 175.6 | -74.6 | -32.3 | 0 | 0 | 0 | 112.4 | L504 N505 L511 S512 | L504-N508 PolarHBondContact O-N 2.79Å; L504-N508 PolarHBondContact O-ND2 2.72Å; N505-N508 WeakPolarHBondContact O-CB 3.39Å; N505-N508 PolarHBondContact O-N 3.4Å; N505-N508 VanDerWaalsContact O-N 3.09Å; N508-L511 PolarHBondContact O-N 3.48Å; N508-S512 PolarHBondContact O-N 2.67Å; N508-S512 VanDerWaalsContact O-N 3.08Å |
| 509 | E | 80.4 | Confident | 79.2 | Confident | 143 Ų | 143 | 97.5 Ų | 97.5 | 67% | 0.668 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.3 | -47.5 | 174.2 | -69.9 | 176.3 | 145.3 | 0 | 0 | 110.9 | N505 G506 L511 S512 E513 | N505-E509 PolarHBondContact O-N 2.69Å; N505-E509 VanDerWaalsContact O-N 3.1Å; G506-E509 PolarHBondContact O-N 2.91Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.86Å; E509-S512 PolarHBondContact O-N 3.5Å; E509-E513 PolarHBondContact O-N 3.28Å |
| 510 | Q | 78.7 | Confident | 79.2 | Confident | 134 Ų | 134 | 97.1 Ų | 97.1 | 63% | 0.626 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.6 | -38.6 | 174.7 | -71.9 | 178.5 | -10 | 0 | 0 | 112.9 | G506 S512 E513 V514 | G506-Q510 WeakPolarHBondContact O-CG 3.42Å; G506-Q510 PolarHBondContact O-N 3.31Å; G506-Q510 VanDerWaalsContact O-N 3.08Å; Q510-S512 VanDerWaalsContact C-N 3.35Å; Q510-S512 PolarHBondContact O-N 2.97Å; Q510-E513 PolarHBondContact O-N 3.48Å; Q510-V514 WeakPolarHBondContact O-CG2 3.33Å; Q510-V514 PolarHBondContact O-N 3.29Å |
| 511 | L | 79.3 | Confident | 79 | Confident | 112 Ų | 112 | 98.5 Ų | 98.5 | 59% | 0.586 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -42.5 | 175.5 | -169 | 73.7 | 0 | 0 | 0 | 111.6 | A507 N508 E509 E513 V514 E515 | A507-L511 WeakPolarHBondContact O-CB 3.4Å; A507-L511 PolarHBondContact O-N 3.41Å; N508-L511 PolarHBondContact O-N 3.48Å; E509-L511 VanDerWaalsContact C-N 3.33Å; E509-L511 PolarHBondContact O-N 2.86Å; L511-E513 VanDerWaalsContact C-N 3.34Å; L511-E513 PolarHBondContact O-N 3.33Å; L511-V514 PolarHBondContact O-N 3.19Å; L511-E515 WeakPolarHBondContact O-CB 3.37Å; L511-E515 WeakPolarHBondContact O-CG 3.31Å; L511-E515 PolarHBondContact O-N 3.01Å |
| 512 | S | 77.9 | Confident | 78.6 | Confident | 85 Ų | 85 | 98.2 Ų | 98.2 | 59% | 0.594 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -66.6 | -33.8 | 178.1 | -170.4 | 0 | 0 | 0 | 0 | 112.8 | N508 E509 Q510 S516 | N508-S512 PolarHBondContact O-N 2.67Å; N508-S512 VanDerWaalsContact O-N 3.08Å; E509-S512 PolarHBondContact O-N 3.5Å; Q510-S512 VanDerWaalsContact C-N 3.35Å; Q510-S512 PolarHBondContact O-N 2.97Å; S512-S516 PolarHBondContact O-N 3.46Å |
| 513 | E | 81.5 | Confident | 78.2 | Confident | 124 Ų | 124 | 99.2 Ų | 99.2 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.2 | -46 | 174.9 | -172.8 | 173.6 | -161.4 | 0 | 0 | 111.3 | E509 Q510 L511 E515 S516 N517 | E509-E513 PolarHBondContact O-N 3.28Å; Q510-E513 PolarHBondContact O-N 3.48Å; L511-E513 VanDerWaalsContact C-N 3.34Å; L511-E513 PolarHBondContact O-N 3.33Å; E513-E515 PolarHBondContact O-N 2.95Å; E513-S516 WeakPolarHBondContact O-CB 3.47Å; E513-S516 PolarHBondContact O-N 2.95Å; E513-S516 VanDerWaalsContact O-N 3.15Å; E513-N517 PolarHBondContact O-N 3.02Å; E513-N517 PolarHBondContact O-ND2 3.4Å |
| 514 | V | 78.5 | Confident | 77.8 | Confident | 94 Ų | 94 | 97 Ų | 97 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -63.5 | -39.4 | 176.5 | 172.5 | 0 | 0 | 0 | 0 | 112 | Q510 L511 S516 N517 R518 | Q510-V514 WeakPolarHBondContact O-CG2 3.33Å; Q510-V514 PolarHBondContact O-N 3.29Å; L511-V514 PolarHBondContact O-N 3.19Å; V514-S516 VanDerWaalsContact C-N 3.3Å; V514-S516 PolarHBondContact O-N 3.25Å; V514-N517 PolarHBondContact O-N 2.98Å; V514-R518 WeakPolarHBondContact O-CB 3.36Å; V514-R518 PolarHBondContact O-N 3.42Å |
| 515 | E | 78.5 | Confident | 76.9 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.8 | -30.9 | 174 | -80.7 | -121.4 | 108.3 | 0 | 0 | 113.5 | L511 E513 R518 | L511-E515 WeakPolarHBondContact O-CB 3.37Å; L511-E515 WeakPolarHBondContact O-CG 3.31Å; L511-E515 PolarHBondContact O-N 3.01Å; E513-E515 PolarHBondContact O-N 2.95Å; E515-R518 IonicContact OE1-NH2 2.71Å; E515-R518 PolarHBondContact OE1-NH2 3.37Å |
| 516 | S | 78.6 | Confident | 76.3 | Confident | 74 Ų | 74 | 100.3 Ų | 100.3 | 52% | 0.517 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.9 | -51.2 | 172.7 | -173.3 | 0 | 0 | 0 | 0 | 110.8 | S512 E513 V514 R518 K519 S520 | S512-S516 PolarHBondContact O-N 3.46Å; E513-S516 WeakPolarHBondContact O-CB 3.47Å; E513-S516 PolarHBondContact O-N 2.95Å; E513-S516 VanDerWaalsContact O-N 3.15Å; V514-S516 VanDerWaalsContact C-N 3.3Å; V514-S516 PolarHBondContact O-N 3.25Å; S516-R518 VanDerWaalsContact C-N 3.28Å; S516-R518 PolarHBondContact O-N 2.81Å; S516-K519 WeakPolarHBondContact O-CB 3.35Å; S516-K519 PolarHBondContact O-N 3.45Å; S516-S520 PolarHBondContact O-N 2.74Å |
| 517 | N | 78.9 | Confident | 75.5 | Confident | 79 Ų | 79 | 104.6 Ų | 104.6 | 42% | 0.422 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.5 | -31.6 | -178.3 | -64.4 | -18.9 | 0 | 0 | 0 | 112.4 | E513 V514 K519 S520 L521 | E513-N517 PolarHBondContact O-N 3.02Å; E513-N517 PolarHBondContact O-ND2 3.4Å; V514-N517 PolarHBondContact O-N 2.98Å; N517-K519 VanDerWaalsContact C-N 3.26Å; N517-K519 PolarHBondContact O-N 2.86Å; N517-S520 PolarHBondContact O-N 2.88Å; N517-S520 PolarHBondContact O-OG 3.04Å; N517-L521 WeakPolarHBondContact O-CG 3.23Å; N517-L521 PolarHBondContact O-N 3.24Å |
| 518 | R | 79.1 | Confident | 74.7 | Confident | 127 Ų | 127 | 109.6 Ų | 109.6 | 48% | 0.479 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.1 | -28.3 | 171.9 | -169.5 | 177.1 | 65.5 | 81.1 | -5.1 | 113 | V514 E515 S516 L522 | V514-R518 WeakPolarHBondContact O-CB 3.36Å; V514-R518 PolarHBondContact O-N 3.42Å; E515-R518 IonicContact OE1-NH2 2.71Å; E515-R518 PolarHBondContact OE1-NH2 3.37Å; S516-R518 VanDerWaalsContact C-N 3.28Å; S516-R518 PolarHBondContact O-N 2.81Å; R518-L522 WeakPolarHBondContact O-CG 3.45Å; R518-L522 PolarHBondContact O-N 3.16Å |
| 519 | K | 77.7 | Confident | 73.7 | Confident | 135 Ų | 135 | 112.5 Ų | 112.5 | 59% | 0.587 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -82.2 | -29.1 | 179 | -74.3 | 171.2 | -178.9 | 161.7 | 0 | 113.3 | S516 N517 | S516-K519 WeakPolarHBondContact O-CB 3.35Å; S516-K519 PolarHBondContact O-N 3.45Å; N517-K519 VanDerWaalsContact C-N 3.26Å; N517-K519 PolarHBondContact O-N 2.86Å |
| 520 | S | 76.7 | Confident | 72.6 | Confident | 61 Ų | 61 | 110.9 Ų | 110.9 | 43% | 0.427 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -71.6 | -48 | 171.7 | 55.3 | 0 | 0 | 0 | 0 | 111.3 | S516 N517 L522 K523 E524 | S516-S520 PolarHBondContact O-N 2.74Å; N517-S520 PolarHBondContact O-N 2.88Å; N517-S520 PolarHBondContact O-OG 3.04Å; S520-L522 VanDerWaalsContact C-N 3.29Å; S520-L522 PolarHBondContact O-N 3.22Å; S520-K523 WeakPolarHBondContact O-CA 3.45Å; S520-K523 WeakPolarHBondContact O-CB 3.45Å; S520-K523 PolarHBondContact O-N 3.38Å; S520-E524 PolarHBondContact O-N 3.21Å; S520-E524 VanDerWaalsContact O-N 3.07Å |
| 521 | L | 71.2 | Confident | 71.7 | Confident | 111 Ų | 111 | 108 Ų | 108 | 58% | 0.581 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -59.8 | -35.7 | -179.1 | -75.6 | 165.7 | 0 | 0 | 0 | 113.4 | N517 K523 L525 | N517-L521 WeakPolarHBondContact O-CG 3.23Å; N517-L521 PolarHBondContact O-N 3.24Å; L521-K523 VanDerWaalsContact C-N 3.27Å; L521-K523 PolarHBondContact O-N 3.15Å; L521-L525 PolarHBondContact O-N 2.95Å; L521-L525 VanDerWaalsContact O-N 3.1Å |
| 522 | L | 71.7 | Confident | 70 | Confident | 92 Ų | 92 | 106.6 Ų | 106.6 | 48% | 0.482 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -66.2 | -28.1 | 174.5 | -81.5 | 169.4 | 0 | 0 | 0 | 113.2 | R518 S520 | R518-L522 WeakPolarHBondContact O-CG 3.45Å; R518-L522 PolarHBondContact O-N 3.16Å; S520-L522 VanDerWaalsContact C-N 3.29Å; S520-L522 PolarHBondContact O-N 3.22Å |
| 523 | K | 73.3 | Confident | 68.6 | Low | 122 Ų | 122 | 111.1 Ų | 111.1 | 53% | 0.53 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -80.4 | -39.5 | 177.9 | -168.7 | 175.5 | 179.9 | -70.3 | 0 | 111.8 | S520 L521 L525 E526 E527 | S520-K523 WeakPolarHBondContact O-CA 3.45Å; S520-K523 WeakPolarHBondContact O-CB 3.45Å; S520-K523 PolarHBondContact O-N 3.38Å; L521-K523 VanDerWaalsContact C-N 3.27Å; L521-K523 PolarHBondContact O-N 3.15Å; K523-L525 PolarHBondContact O-N 2.92Å; K523-E526 PolarHBondContact O-N 2.77Å; K523-E527 IonicContact NZ-OE1 2.68Å; K523-E527 PolarHBondContact NZ-OE1 3Å; K523-E527 PolarHBondContact O-N 3.1Å |
| 524 | E | 70.9 | Confident | 67.2 | Low | 117 Ų | 117 | 110.4 Ų | 110.4 | 55% | 0.547 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -60.9 | -33.8 | 171.3 | -68.5 | 176.2 | 127.2 | 0 | 0 | 111.4 | S520 E527 Y528 | S520-E524 PolarHBondContact O-N 3.21Å; S520-E524 VanDerWaalsContact O-N 3.07Å; E524-E527 PolarHBondContact O-N 3.43Å; E524-Y528 WeakPolarHBondContact O-CB 3.15Å; E524-Y528 PolarHBondContact O-N 3.41Å |
| 525 | L | 63.8 | Low | 66 | Low | 98 Ų | 98 | 109.1 Ų | 109.1 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 177.4 | -160.7 | 76.8 | 0 | 0 | 0 | 113.5 | L521 K523 Y528 Q529 | L521-L525 PolarHBondContact O-N 2.95Å; L521-L525 VanDerWaalsContact O-N 3.1Å; K523-L525 PolarHBondContact O-N 2.92Å; L525-Y528 PolarHBondContact O-N 3.25Å; L525-Q529 WeakPolarHBondContact O-CG 3.17Å; L525-Q529 PolarHBondContact O-N 2.92Å |
| 526 | E | 67.4 | Low | 64.7 | Low | 143 Ų | 143 | 110.6 Ų | 110.6 | 67% | 0.668 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -67.5 | -38.2 | 174.8 | -73.4 | -173.5 | 136.2 | 0 | 0 | 111.7 | K523 S530 | K523-E526 PolarHBondContact O-N 2.77Å; E526-S530 PolarHBondContact O-OG 3.37Å |
| 527 | E | 65.6 | Low | 63.8 | Low | 116 Ų | 116 | 111.9 Ų | 111.9 | 54% | 0.542 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -68.6 | -36.6 | 176.4 | -68.5 | 175.3 | -161.1 | 0 | 0 | 111.3 | K523 E524 S530 | K523-E527 IonicContact NZ-OE1 2.68Å; K523-E527 PolarHBondContact NZ-OE1 3Å; K523-E527 PolarHBondContact O-N 3.1Å; E524-E527 PolarHBondContact O-N 3.43Å; E527-S530 PolarHBondContact O-N 2.99Å |
| 528 | Y | 59.7 | Low | 62.8 | Low | 156 Ų | 156 | 113.5 Ų | 113.5 | 61% | 0.612 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -70.4 | -33.3 | 178.9 | -157.8 | -91.4 | 0 | 0 | 0 | 114.1 | E524 L525 S530 S531 H532 | E524-Y528 WeakPolarHBondContact O-CB 3.15Å; E524-Y528 PolarHBondContact O-N 3.41Å; L525-Y528 PolarHBondContact O-N 3.25Å; Y528-S530 PolarHBondContact O-N 3.06Å; Y528-S531 PolarHBondContact O-OG 3.42Å; Y528-H532 AromaticContact CE1-CD2 3.98Å; Y528-H532 AromaticContact CZ-NE2 3.9Å |
| 529 | Q | 57.5 | Low | 62 | Low | 152 Ų | 152 | 110.1 Ų | 110.1 | 71% | 0.71 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.5 | -14.7 | 178.1 | -75.1 | -176.1 | -1.1 | 0 | 0 | 113.8 | L525 | L525-Q529 WeakPolarHBondContact O-CG 3.17Å; L525-Q529 PolarHBondContact O-N 2.92Å |
| 530 | S | 58.4 | Low | 61.3 | Low | 109 Ų | 109 | 110.2 Ų | 110.2 | 76% | 0.762 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.9 | -7.2 | -170.9 | -61.9 | 0 | 0 | 0 | 0 | 115 | E526 E527 Y528 | E526-S530 PolarHBondContact O-OG 3.37Å; E527-S530 PolarHBondContact O-N 2.99Å; Y528-S530 PolarHBondContact O-N 3.06Å |
| 531 | S | 59.5 | Low | 60.9 | Low | 73 Ų | 73 | 111.3 Ų | 111.3 | 51% | 0.51 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -111.8 | -15.6 | -167.3 | 59.2 | 0 | 0 | 0 | 0 | 116.4 | Y528 | Y528-S531 PolarHBondContact O-OG 3.42Š|
| 532 | H | 44.1 | Very low | 60.5 | Low | 82 Ų | 82 | 110.2 Ų | 110.2 | 38% | 0.38 | 57% | 0.569 | S | S | . | * | trans | -99.6 | 3.2 | -152.8 | -109.1 | -79.2 | 0 | 0 | 0 | 118.3 | Y528 T534 H535 | Y528-H532 AromaticContact CE1-CD2 3.98Å; Y528-H532 AromaticContact CZ-NE2 3.9Å; H532-T534 PolarHBondContact O-N 3.15Å; H532-H535 AromaticContact CE1-CD2 3.51Å; H532-H535 AromaticContact ND1-CD2 3.69Å | ||
| 533 | H | 47.2 | Very low | 60.4 | Low | 181 Ų | 181 | 110.5 Ų | 110.5 | 84% | 0.838 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | 20.8 | -174 | -158 | 55.4 | 0 | 0 | 0 | 115.2 | ||
| 534 | T | 53.3 | Low | 60.5 | Low | 108 Ų | 108 | 110 Ų | 110 | 66% | 0.663 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -135.4 | 16.4 | -175.8 | 52.5 | 0 | 0 | 0 | 0 | 113.7 | H532 | H532-T534 PolarHBondContact O-N 3.15Š|
| 535 | H | 53.7 | Low | 60.7 | Low | 67 Ų | 67 | 110 Ų | 110 | 31% | 0.31 | 57% | 0.574 | S | S | . | * | trans | -115.2 | -10.5 | -175.7 | -71.5 | -2.2 | 0 | 0 | 0 | 115.4 | H532 S537 E538 V539 | H532-H535 AromaticContact CE1-CD2 3.51Å; H532-H535 AromaticContact ND1-CD2 3.69Å; H535-S537 VanDerWaalsContact C-N 3.25Å; H535-S537 PolarHBondContact O-N 2.79Å; H535-E538 CarbonylContact O-C 3.58Å; H535-E538 WeakPolarHBondContact O-CA 3.43Å; H535-E538 PolarHBondContact O-N 3.16Å; H535-V539 HydrophobicContact CB-CG2 4.43Å; H535-V539 WeakPolarHBondContact O-CG2 3.46Å; H535-V539 PolarHBondContact O-N 3.23Å | ||
| 536 | D | 51.1 | Low | 61.2 | Low | 119 Ų | 119 | 108.5 Ų | 108.5 | 64% | 0.636 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -53.5 | -33.6 | -174 | -75.4 | -7.8 | 0 | 0 | 0 | 115.2 | V539 Q540 | D536-V539 WeakPolarHBondContact O-CB 3.19Å; D536-V539 PolarHBondContact O-N 2.74Å; D536-Q540 PolarHBondContact O-N 2.87Å |
| 537 | S | 58.4 | Low | 61.7 | Low | 102 Ų | 102 | 106.8 Ų | 106.8 | 71% | 0.713 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -79.6 | -23 | 176.6 | 50.8 | 0 | 0 | 0 | 0 | 114.1 | H535 | H535-S537 VanDerWaalsContact C-N 3.25Å; H535-S537 PolarHBondContact O-N 2.79Å |
| 538 | E | 58.6 | Low | 62.4 | Low | 113 Ų | 113 | 108.7 Ų | 108.7 | 53% | 0.528 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -82.1 | -31.3 | 167.2 | -64.8 | -171.7 | 143.9 | 0 | 0 | 110.6 | H535 Q540 S541 M542 | H535-E538 CarbonylContact O-C 3.58Å; H535-E538 WeakPolarHBondContact O-CA 3.43Å; H535-E538 PolarHBondContact O-N 3.16Å; E538-Q540 VanDerWaalsContact C-N 3.35Å; E538-Q540 PolarHBondContact O-N 2.82Å; E538-S541 PolarHBondContact O-N 2.82Å; E538-M542 HydrophobicContact CB-CE 4.02Å; E538-M542 WeakPolarHBondContact O-CB 3.4Å; E538-M542 WeakPolarHBondContact O-CG 3.38Å; E538-M542 PolarHBondContact O-N 3.41Å |
| 539 | V | 62.7 | Low | 63.2 | Low | 55 Ų | 55 | 105 Ų | 105 | 33% | 0.333 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -56.3 | -44.1 | 173.5 | 167.9 | 0 | 0 | 0 | 0 | 111 | H535 D536 S541 M542 E543 | H535-V539 HydrophobicContact CB-CG2 4.43Å; H535-V539 WeakPolarHBondContact O-CG2 3.46Å; H535-V539 PolarHBondContact O-N 3.23Å; D536-V539 WeakPolarHBondContact O-CB 3.19Å; D536-V539 PolarHBondContact O-N 2.74Å; V539-S541 PolarHBondContact O-N 3.43Å; V539-M542 CarbonylContact O-C 3.56Å; V539-M542 PolarHBondContact O-N 3.09Å; V539-E543 HydrophobicContact CG1-CG 4.14Å; V539-E543 WeakPolarHBondContact O-CB 3.46Å; V539-E543 VanDerWaalsContact O-CG 3.31Å; V539-E543 WeakPolarHBondContact O-CG 3.5Å; V539-E543 PolarHBondContact O-N 3.42Å |
| 540 | Q | 62 | Low | 64.2 | Low | 137 Ų | 137 | 102.3 Ų | 102.3 | 64% | 0.64 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.1 | -34 | 177.6 | -71.5 | -170.3 | -16.8 | 0 | 0 | 114.2 | D536 E538 E543 V544 | D536-Q540 PolarHBondContact O-N 2.87Å; E538-Q540 VanDerWaalsContact C-N 3.35Å; E538-Q540 PolarHBondContact O-N 2.82Å; Q540-E543 PolarHBondContact O-N 3.37Å; Q540-V544 PolarHBondContact O-N 3.15Å |
| 541 | S | 68.8 | Low | 65.2 | Low | 84 Ų | 84 | 100.4 Ų | 100.4 | 59% | 0.587 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70 | -40.2 | 172.4 | -171.6 | 0 | 0 | 0 | 0 | 111 | E538 V539 E543 Q545 | E538-S541 PolarHBondContact O-N 2.82Å; V539-S541 PolarHBondContact O-N 3.43Å; S541-E543 VanDerWaalsContact C-N 3.34Å; S541-Q545 PolarHBondContact O-N 3.39Å |
| 542 | M | 64 | Low | 66.2 | Low | 88 Ų | 88 | 100.8 Ų | 100.8 | 43% | 0.433 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68 | -30.5 | 173.3 | -73.7 | -169 | -75.4 | 0 | 0 | 111.7 | E538 V539 V544 Q545 V546 | E538-M542 HydrophobicContact CB-CE 4.02Å; E538-M542 WeakPolarHBondContact O-CB 3.4Å; E538-M542 WeakPolarHBondContact O-CG 3.38Å; E538-M542 PolarHBondContact O-N 3.41Å; V539-M542 CarbonylContact O-C 3.56Å; V539-M542 PolarHBondContact O-N 3.09Å; M542-V544 PolarHBondContact O-N 3.34Å; M542-Q545 CarbonylContact O-C 3.49Å; M542-Q545 PolarHBondContact O-N 2.93Å; M542-V546 WeakPolarHBondContact O-CA 3.43Å; M542-V546 WeakPolarHBondContact O-CB 3.47Å; M542-V546 WeakPolarHBondContact O-CG2 3.47Å; M542-V546 PolarHBondContact O-N 2.76Å |
| 543 | E | 69 | Low | 67.7 | Low | 99 Ų | 99 | 102 Ų | 102 | 46% | 0.463 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -39.6 | 177.4 | -84.6 | 175.8 | 151.1 | 0 | 0 | 111.1 | V539 Q540 S541 N547 | V539-E543 HydrophobicContact CG1-CG 4.14Å; V539-E543 WeakPolarHBondContact O-CB 3.46Å; V539-E543 VanDerWaalsContact O-CG 3.31Å; V539-E543 WeakPolarHBondContact O-CG 3.5Å; V539-E543 PolarHBondContact O-N 3.42Å; Q540-E543 PolarHBondContact O-N 3.37Å; S541-E543 VanDerWaalsContact C-N 3.34Å; E543-N547 VanDerWaalsContact O-CB 3.31Å; E543-N547 WeakPolarHBondContact O-CB 3.32Å; E543-N547 PolarHBondContact O-N 2.88Å; E543-N547 PolarHBondContact O-ND2 2.85Å |
| 544 | V | 75 | Confident | 69.3 | Low | 111 Ų | 111 | 94.7 Ų | 94.7 | 67% | 0.673 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -67.2 | -43.4 | 173.8 | 178.9 | 0 | 0 | 0 | 0 | 110.5 | Q540 M542 N547 Y548 | Q540-V544 PolarHBondContact O-N 3.15Å; M542-V544 PolarHBondContact O-N 3.34Å; V544-N547 PolarHBondContact O-N 3.24Å; V544-Y548 PolarHBondContact O-N 2.73Å |
| 545 | Q | 75.8 | Confident | 70.6 | Confident | 116 Ų | 116 | 94.7 Ų | 94.7 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.5 | -33.1 | 178.4 | -166.6 | 170.4 | 5.7 | 0 | 0 | 112.7 | S541 M542 L549 | S541-Q545 PolarHBondContact O-N 3.39Å; M542-Q545 CarbonylContact O-C 3.49Å; M542-Q545 PolarHBondContact O-N 2.93Å; Q545-L549 HydrophobicContact CG-CD1 4.09Å; Q545-L549 VanDerWaalsContact O-CB 3.26Å; Q545-L549 WeakPolarHBondContact O-CB 3.44Å; Q545-L549 WeakPolarHBondContact O-CG 3.45Å; Q545-L549 PolarHBondContact O-N 3.15Å |
| 546 | V | 73.7 | Confident | 71.7 | Confident | 68 Ų | 68 | 95.9 Ų | 95.9 | 41% | 0.412 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -74.9 | -37.8 | 175.7 | 164 | 0 | 0 | 0 | 0 | 109.9 | M542 Y548 L549 L550 | M542-V546 WeakPolarHBondContact O-CA 3.43Å; M542-V546 WeakPolarHBondContact O-CB 3.47Å; M542-V546 WeakPolarHBondContact O-CG2 3.47Å; M542-V546 PolarHBondContact O-N 2.76Å; V546-Y548 VanDerWaalsContact C-N 3.34Å; V546-L549 CarbonylContact O-C 3.6Å; V546-L549 PolarHBondContact O-N 3Å; V546-L550 HydrophobicContact CG1-CD1 3.59Å; V546-L550 HydrophobicContact CG1-CG 3.91Å; V546-L550 WeakPolarHBondContact O-CA 3.32Å; V546-L550 WeakPolarHBondContact O-CB 3.5Å; V546-L550 WeakPolarHBondContact O-CG 3.22Å; V546-L550 PolarHBondContact O-N 3.3Å |
| 547 | N | 78.6 | Confident | 73.1 | Confident | 107 Ų | 107 | 94.4 Ų | 94.4 | 57% | 0.572 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.1 | -37.2 | 172.2 | -81 | -65.1 | 0 | 0 | 0 | 111.8 | E543 V544 S551 | E543-N547 VanDerWaalsContact O-CB 3.31Å; E543-N547 WeakPolarHBondContact O-CB 3.32Å; E543-N547 PolarHBondContact O-N 2.88Å; E543-N547 PolarHBondContact O-ND2 2.85Å; V544-N547 PolarHBondContact O-N 3.24Å; N547-S551 PolarHBondContact O-N 2.98Å |
| 548 | Y | 80.1 | Confident | 74.1 | Confident | 156 Ų | 156 | 94.1 Ų | 94.1 | 61% | 0.612 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.2 | -52.6 | 169.3 | -179.1 | -91 | 0 | 0 | 0 | 111.4 | V544 V546 L550 S551 E552 | V544-Y548 PolarHBondContact O-N 2.73Å; V546-Y548 VanDerWaalsContact C-N 3.34Å; Y548-L550 VanDerWaalsContact C-N 3.26Å; Y548-L550 PolarHBondContact O-N 3.25Å; Y548-S551 WeakPolarHBondContact O-CB 3.24Å; Y548-S551 PolarHBondContact O-N 2.93Å; Y548-S551 VanDerWaalsContact O-N 3.12Å; Y548-E552 PolarHBondContact O-N 3.46Å |
| 549 | L | 76.7 | Confident | 75.3 | Confident | 77 Ų | 77 | 95.6 Ų | 95.6 | 40% | 0.403 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.7 | -21.8 | 179.4 | -73.2 | 170.2 | 0 | 0 | 0 | 113.5 | Q545 V546 L553 | Q545-L549 HydrophobicContact CG-CD1 4.09Å; Q545-L549 VanDerWaalsContact O-CB 3.26Å; Q545-L549 WeakPolarHBondContact O-CB 3.44Å; Q545-L549 WeakPolarHBondContact O-CG 3.45Å; Q545-L549 PolarHBondContact O-N 3.15Å; V546-L549 CarbonylContact O-C 3.6Å; V546-L549 PolarHBondContact O-N 3Å; L549-L553 WeakPolarHBondContact O-CA 3.49Å; L549-L553 WeakPolarHBondContact O-CB 3.42Å; L549-L553 PolarHBondContact O-N 2.79Å |
| 550 | L | 78.1 | Confident | 76 | Confident | 97 Ų | 97 | 98 Ų | 98 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -81.5 | -32.3 | 172.3 | -78.9 | 172.6 | 0 | 0 | 0 | 111.5 | V546 Y548 E552 G554 | V546-L550 HydrophobicContact CG1-CD1 3.59Å; V546-L550 HydrophobicContact CG1-CG 3.91Å; V546-L550 WeakPolarHBondContact O-CA 3.32Å; V546-L550 WeakPolarHBondContact O-CB 3.5Å; V546-L550 WeakPolarHBondContact O-CG 3.22Å; V546-L550 PolarHBondContact O-N 3.3Å; Y548-L550 VanDerWaalsContact C-N 3.26Å; Y548-L550 PolarHBondContact O-N 3.25Å; L550-E552 VanDerWaalsContact C-N 3.33Å; L550-G554 WeakPolarHBondContact O-CA 3.31Å; L550-G554 PolarHBondContact O-N 3.03Å |
| 551 | S | 79.4 | Confident | 76.7 | Confident | 68 Ų | 68 | 94.7 Ų | 94.7 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.3 | -36.7 | 166.8 | -178.3 | 0 | 0 | 0 | 0 | 111 | N547 Y548 G554 Q555 | N547-S551 PolarHBondContact O-N 2.98Å; Y548-S551 WeakPolarHBondContact O-CB 3.24Å; Y548-S551 PolarHBondContact O-N 2.93Å; Y548-S551 VanDerWaalsContact O-N 3.12Å; S551-G554 PolarHBondContact O-N 3.48Å; S551-Q555 WeakPolarHBondContact O-CG 3.5Å; S551-Q555 PolarHBondContact O-N 3.06Å |
| 552 | E | 80.1 | Confident | 77.3 | Confident | 81 Ų | 81 | 94.1 Ų | 94.1 | 38% | 0.379 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.6 | -40.4 | 176 | -164.1 | 166.8 | -148.7 | 0 | 0 | 111.5 | Y548 L550 G554 Q555 M556 | Y548-E552 PolarHBondContact O-N 3.46Å; L550-E552 VanDerWaalsContact C-N 3.33Å; E552-G554 VanDerWaalsContact C-N 3.32Å; E552-G554 PolarHBondContact O-N 2.92Å; E552-Q555 PolarHBondContact O-N 3.39Å; E552-M556 VanDerWaalsContact O-CB 3.28Å; E552-M556 WeakPolarHBondContact O-CB 3.49Å; E552-M556 VanDerWaalsContact O-CG 3.22Å; E552-M556 WeakPolarHBondContact O-CG 3.44Å; E552-M556 PolarHBondContact O-N 3.07Å |
| 553 | L | 76.3 | Confident | 78.1 | Confident | 108 Ų | 108 | 94.4 Ų | 94.4 | 57% | 0.565 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.8 | -36.1 | 167.9 | -101 | 157.2 | 0 | 0 | 0 | 111.8 | L549 M556 N557 | L549-L553 WeakPolarHBondContact O-CA 3.49Å; L549-L553 WeakPolarHBondContact O-CB 3.42Å; L549-L553 PolarHBondContact O-N 2.79Å; L553-M556 CarbonylContact O-C 3.55Å; L553-M556 PolarHBondContact O-N 3.32Å; L553-N557 WeakPolarHBondContact O-CA 3.49Å; L553-N557 WeakPolarHBondContact O-CB 3.24Å; L553-N557 PolarHBondContact O-N 2.89Å |
| 554 | G | 80.4 | Confident | 78.6 | Confident | 28 Ų | 28 | 95.3 Ų | 95.3 | 29% | 0.289 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -60.1 | -54.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | L550 S551 E552 M556 N557 D558 | L550-G554 WeakPolarHBondContact O-CA 3.31Å; L550-G554 PolarHBondContact O-N 3.03Å; S551-G554 PolarHBondContact O-N 3.48Å; E552-G554 VanDerWaalsContact C-N 3.32Å; E552-G554 PolarHBondContact O-N 2.92Å; G554-M556 VanDerWaalsContact C-N 3.32Å; G554-M556 PolarHBondContact O-N 3.16Å; G554-N557 CarbonylContact O-C 3.51Å; G554-N557 PolarHBondContact O-N 3.21Å; G554-N557 VanDerWaalsContact O-N 3.11Å; G554-D558 WeakPolarHBondContact O-CB 3.48Å; G554-D558 VanDerWaalsContact O-CG 3.25Å; G554-D558 PolarHBondContact O-N 3.04Å |
| 555 | Q | 80.5 | Confident | 78.8 | Confident | 108 Ų | 108 | 96.1 Ų | 96.1 | 51% | 0.505 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64 | -33.5 | 176.5 | -68.5 | 176.7 | 36.3 | 0 | 0 | 113.2 | S551 E552 R559 | S551-Q555 WeakPolarHBondContact O-CG 3.5Å; S551-Q555 PolarHBondContact O-N 3.06Å; E552-Q555 PolarHBondContact O-N 3.39Å; Q555-R559 VanDerWaalsContact O-CB 3.3Å; Q555-R559 WeakPolarHBondContact O-CB 3.43Å; Q555-R559 WeakPolarHBondContact O-CD 3.24Å; Q555-R559 WeakPolarHBondContact O-CG 3.34Å; Q555-R559 PolarHBondContact O-N 3.38Å |
| 556 | M | 77.5 | Confident | 79.2 | Confident | 92 Ų | 92 | 96 Ų | 96 | 45% | 0.453 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -76.2 | -24.7 | 174.2 | -71.6 | -64.2 | -166.4 | 0 | 0 | 112.9 | E552 L553 G554 L560 | E552-M556 VanDerWaalsContact O-CB 3.28Å; E552-M556 WeakPolarHBondContact O-CB 3.49Å; E552-M556 VanDerWaalsContact O-CG 3.22Å; E552-M556 WeakPolarHBondContact O-CG 3.44Å; E552-M556 PolarHBondContact O-N 3.07Å; L553-M556 CarbonylContact O-C 3.55Å; L553-M556 PolarHBondContact O-N 3.32Å; G554-M556 VanDerWaalsContact C-N 3.32Å; G554-M556 PolarHBondContact O-N 3.16Å; M556-L560 VanDerWaalsContact O-CB 3.22Å; M556-L560 WeakPolarHBondContact O-CB 3.37Å; M556-L560 WeakPolarHBondContact O-CG 3.38Å; M556-L560 PolarHBondContact O-N 3.2Å |
| 557 | N | 80 | Confident | 79.6 | Confident | 88 Ų | 88 | 98.2 Ų | 98.2 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -81.6 | -36.4 | 173.9 | -177 | 81.8 | 0 | 0 | 0 | 111.2 | L553 G554 R559 L560 T561 | L553-N557 WeakPolarHBondContact O-CA 3.49Å; L553-N557 WeakPolarHBondContact O-CB 3.24Å; L553-N557 PolarHBondContact O-N 2.89Å; G554-N557 CarbonylContact O-C 3.51Å; G554-N557 PolarHBondContact O-N 3.21Å; G554-N557 VanDerWaalsContact O-N 3.11Å; N557-R559 VanDerWaalsContact C-N 3.34Å; N557-L560 PolarHBondContact O-N 2.84Å; N557-T561 WeakPolarHBondContact O-CB 3.49Å; N557-T561 WeakPolarHBondContact O-CG2 3.39Å; N557-T561 PolarHBondContact O-N 2.74Å; N557-T561 PolarHBondContact O-OG1 3.37Å |
| 558 | D | 79 | Confident | 79.7 | Confident | 96 Ų | 96 | 96.9 Ų | 96.9 | 51% | 0.513 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.9 | -41.4 | 168.7 | -66.9 | -17.1 | 0 | 0 | 0 | 110 | G554 T561 T562 | G554-D558 WeakPolarHBondContact O-CB 3.48Å; G554-D558 VanDerWaalsContact O-CG 3.25Å; G554-D558 PolarHBondContact O-N 3.04Å; D558-T561 WeakPolarHBondContact CA-OG1 3.45Å; D558-T561 PolarHBondContact O-OG1 3.19Å; D558-T562 VanDerWaalsContact O-CB 3.22Å; D558-T562 WeakPolarHBondContact O-CB 3.37Å; D558-T562 PolarHBondContact O-N 2.81Å; D558-T562 PolarHBondContact O-OG1 3.47Å |
| 559 | R | 83.3 | Confident | 79.8 | Confident | 143 Ų | 143 | 93.2 Ų | 93.2 | 54% | 0.54 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.6 | -39.5 | 169.5 | -74.8 | 170.7 | -178.5 | 179.5 | 3.1 | 112.5 | Q555 N557 T562 N563 | Q555-R559 VanDerWaalsContact O-CB 3.3Å; Q555-R559 WeakPolarHBondContact O-CB 3.43Å; Q555-R559 WeakPolarHBondContact O-CD 3.24Å; Q555-R559 WeakPolarHBondContact O-CG 3.34Å; Q555-R559 PolarHBondContact O-N 3.38Å; N557-R559 VanDerWaalsContact C-N 3.34Å; R559-T562 PolarHBondContact O-N 2.87Å; R559-N563 WeakPolarHBondContact O-CB 3.41Å; R559-N563 PolarHBondContact O-N 2.97Å; R559-N563 PolarHBondContact O-ND2 3.06Å; R559-N563 PolarHBondContact O-OD1 3.49Å |
| 560 | L | 77.1 | Confident | 79.9 | Confident | 107 Ų | 107 | 92.5 Ų | 92.5 | 56% | 0.56 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -66.4 | -45 | 176.8 | -93.7 | 165.4 | 0 | 0 | 0 | 111 | M556 N557 N563 Q564 | M556-L560 VanDerWaalsContact O-CB 3.22Å; M556-L560 WeakPolarHBondContact O-CB 3.37Å; M556-L560 WeakPolarHBondContact O-CG 3.38Å; M556-L560 PolarHBondContact O-N 3.2Å; N557-L560 PolarHBondContact O-N 2.84Å; L560-N563 CarbonylContact O-C 3.6Å; L560-N563 PolarHBondContact O-N 3.42Å; L560-Q564 WeakPolarHBondContact O-CA 3.36Å; L560-Q564 WeakPolarHBondContact O-CB 3.24Å; L560-Q564 PolarHBondContact O-N 3.04Å |
| 561 | T | 78.3 | Confident | 80.2 | Confident | 67 Ų | 67 | 92 Ų | 92 | 41% | 0.411 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.9 | -34.1 | 177.1 | 51.9 | 0 | 0 | 0 | 0 | 112.1 | N557 D558 K565 | N557-T561 WeakPolarHBondContact O-CB 3.49Å; N557-T561 WeakPolarHBondContact O-CG2 3.39Å; N557-T561 PolarHBondContact O-N 2.74Å; N557-T561 PolarHBondContact O-OG1 3.37Å; D558-T561 WeakPolarHBondContact CA-OG1 3.45Å; D558-T561 PolarHBondContact O-OG1 3.19Å; T561-K565 VanDerWaalsContact O-CB 3.26Å; T561-K565 WeakPolarHBondContact O-CB 3.42Å; T561-K565 PolarHBondContact O-N 3.46Å |
| 562 | T | 81.1 | Confident | 80.2 | Confident | 72 Ų | 72 | 92.2 Ų | 92.2 | 44% | 0.442 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.2 | -51.4 | 170.4 | -55.8 | 0 | 0 | 0 | 0 | 110.8 | D558 R559 Q564 K565 E566 | D558-T562 VanDerWaalsContact O-CB 3.22Å; D558-T562 WeakPolarHBondContact O-CB 3.37Å; D558-T562 PolarHBondContact O-N 2.81Å; D558-T562 PolarHBondContact O-OG1 3.47Å; R559-T562 PolarHBondContact O-N 2.87Å; T562-Q564 VanDerWaalsContact C-N 3.28Å; T562-Q564 PolarHBondContact O-N 3.16Å; T562-K565 CarbonylContact O-C 3.6Å; T562-K565 WeakPolarHBondContact O-CB 3.45Å; T562-K565 PolarHBondContact O-N 2.77Å; T562-E566 WeakPolarHBondContact O-CB 3.15Å; T562-E566 WeakPolarHBondContact O-CG 3.27Å; T562-E566 PolarHBondContact O-N 3.04Å |
| 563 | N | 79.4 | Confident | 80.5 | Confident | 93 Ų | 93 | 94 Ų | 94 | 50% | 0.497 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -62.9 | -32.5 | 176.4 | -69.1 | -4.5 | 0 | 0 | 0 | 112.5 | R559 L560 L567 | R559-N563 WeakPolarHBondContact O-CB 3.41Å; R559-N563 PolarHBondContact O-N 2.97Å; R559-N563 PolarHBondContact O-ND2 3.06Å; R559-N563 PolarHBondContact O-OD1 3.49Å; L560-N563 CarbonylContact O-C 3.6Å; L560-N563 PolarHBondContact O-N 3.42Å; N563-L567 WeakPolarHBondContact O-CB 3.44Å; N563-L567 PolarHBondContact O-N 3.49Å |
| 564 | Q | 81.5 | Confident | 80.8 | Confident | 118 Ų | 118 | 91.5 Ų | 91.5 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -77.1 | -33.4 | 178.5 | -175.1 | 172.6 | 11.8 | 0 | 0 | 110.5 | L560 T562 L567 T568 | L560-Q564 WeakPolarHBondContact O-CA 3.36Å; L560-Q564 WeakPolarHBondContact O-CB 3.24Å; L560-Q564 PolarHBondContact O-N 3.04Å; T562-Q564 VanDerWaalsContact C-N 3.28Å; T562-Q564 PolarHBondContact O-N 3.16Å; Q564-L567 PolarHBondContact O-N 3.18Å; Q564-T568 WeakPolarHBondContact O-CG2 3.47Å; Q564-T568 PolarHBondContact O-N 3.33Å; Q564-T568 PolarHBondContact O-OG1 3.41Å |
| 565 | K | 79.2 | Confident | 81 | Confident | 129 Ų | 129 | 93.8 Ų | 93.8 | 56% | 0.561 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67 | -48.6 | 166.9 | -171.8 | -167.3 | 170.4 | -164.6 | 0 | 110.9 | T561 T562 L567 T568 D569 | T561-K565 VanDerWaalsContact O-CB 3.26Å; T561-K565 WeakPolarHBondContact O-CB 3.42Å; T561-K565 PolarHBondContact O-N 3.46Å; T562-K565 CarbonylContact O-C 3.6Å; T562-K565 WeakPolarHBondContact O-CB 3.45Å; T562-K565 PolarHBondContact O-N 2.77Å; K565-L567 PolarHBondContact O-N 3.15Å; K565-T568 WeakPolarHBondContact CA-OG1 3.48Å; K565-T568 PolarHBondContact O-N 3.31Å; K565-T568 VanDerWaalsContact O-N 3.09Å; K565-T568 PolarHBondContact O-OG1 3.32Å; K565-D569 WeakPolarHBondContact CE-OD2 3.2Å; K565-D569 VanDerWaalsContact O-CB 3.31Å; K565-D569 WeakPolarHBondContact O-CB 3.29Å; K565-D569 PolarHBondContact O-N 2.86Å |
| 566 | E | 82.8 | Confident | 81.1 | Confident | 112 Ų | 112 | 91 Ų | 91 | 52% | 0.523 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.6 | -33.1 | 174.2 | -73.1 | 179.7 | -171.8 | 0 | 0 | 111.3 | T562 S570 | T562-E566 WeakPolarHBondContact O-CB 3.15Å; T562-E566 WeakPolarHBondContact O-CG 3.27Å; T562-E566 PolarHBondContact O-N 3.04Å; E566-S570 WeakPolarHBondContact O-CB 3.4Å; E566-S570 PolarHBondContact O-N 3.08Å; E566-S570 PolarHBondContact O-OG 3.39Å |
| 567 | L | 82.5 | Confident | 81.3 | Confident | 115 Ų | 115 | 89.8 Ų | 89.8 | 60% | 0.602 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.4 | -38.8 | 172.9 | -176.8 | 65 | 0 | 0 | 0 | 112.3 | N563 Q564 K565 Q571 | N563-L567 WeakPolarHBondContact O-CB 3.44Å; N563-L567 PolarHBondContact O-N 3.49Å; Q564-L567 PolarHBondContact O-N 3.18Å; K565-L567 PolarHBondContact O-N 3.15Å; L567-Q571 WeakPolarHBondContact O-CA 3.46Å; L567-Q571 WeakPolarHBondContact O-CB 3.37Å; L567-Q571 PolarHBondContact O-N 3.18Å |
| 568 | T | 80 | Confident | 81.6 | Confident | 80 Ų | 80 | 92.9 Ų | 92.9 | 49% | 0.491 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -70.9 | -37.1 | 173.2 | 50.4 | 0 | 0 | 0 | 0 | 112.2 | Q564 K565 Q571 S572 | Q564-T568 WeakPolarHBondContact O-CG2 3.47Å; Q564-T568 PolarHBondContact O-N 3.33Å; Q564-T568 PolarHBondContact O-OG1 3.41Å; K565-T568 WeakPolarHBondContact CA-OG1 3.48Å; K565-T568 PolarHBondContact O-N 3.31Å; K565-T568 VanDerWaalsContact O-N 3.09Å; K565-T568 PolarHBondContact O-OG1 3.32Å; T568-Q571 PolarHBondContact O-N 3.44Å; T568-S572 VanDerWaalsContact O-CB 3.32Å; T568-S572 WeakPolarHBondContact O-CB 3.43Å; T568-S572 PolarHBondContact O-N 2.96Å |
| 569 | D | 81.8 | Confident | 81.9 | Confident | 78 Ų | 78 | 94.3 Ų | 94.3 | 42% | 0.417 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.4 | -48 | 176.1 | -68 | -8.2 | 0 | 0 | 0 | 108.6 | K565 Q571 S572 E573 | K565-D569 WeakPolarHBondContact CE-OD2 3.2Å; K565-D569 VanDerWaalsContact O-CB 3.31Å; K565-D569 WeakPolarHBondContact O-CB 3.29Å; K565-D569 PolarHBondContact O-N 2.86Å; D569-Q571 PolarHBondContact O-N 3.23Å; D569-S572 PolarHBondContact O-N 2.94Å; D569-S572 PolarHBondContact O-OG 2.86Å; D569-E573 PolarHBondContact O-N 3.31Å |
| 570 | S | 79.1 | Confident | 81.9 | Confident | 62 Ų | 62 | 93.9 Ų | 93.9 | 43% | 0.434 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 173 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | E566 E573 V574 | E566-S570 WeakPolarHBondContact O-CB 3.4Å; E566-S570 PolarHBondContact O-N 3.08Å; E566-S570 PolarHBondContact O-OG 3.39Å; S570-E573 PolarHBondContact O-N 3.5Å; S570-V574 VanDerWaalsContact O-CB 3.29Å; S570-V574 WeakPolarHBondContact O-CB 3.33Å; S570-V574 VanDerWaalsContact O-CG2 3.25Å; S570-V574 WeakPolarHBondContact O-CG2 3.31Å; S570-V574 PolarHBondContact O-N 2.66Å |
| 571 | Q | 85 | Confident | 82.3 | Confident | 87 Ų | 87 | 93.7 Ų | 93.7 | 41% | 0.407 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -38.6 | 175.3 | 179.8 | 59.9 | 40.5 | 0 | 0 | 110.4 | L567 T568 D569 V574 D575 | L567-Q571 WeakPolarHBondContact O-CA 3.46Å; L567-Q571 WeakPolarHBondContact O-CB 3.37Å; L567-Q571 PolarHBondContact O-N 3.18Å; T568-Q571 PolarHBondContact O-N 3.44Å; D569-Q571 PolarHBondContact O-N 3.23Å; Q571-V574 CarbonylContact O-C 3.56Å; Q571-V574 PolarHBondContact O-N 3.05Å; Q571-D575 PolarHBondContact NE2-OD1 2.91Å; Q571-D575 VanDerWaalsContact NE2-OD1 3.1Å; Q571-D575 PolarHBondContact NE2-OD2 3.36Å; Q571-D575 WeakPolarHBondContact O-CB 3.35Å; Q571-D575 PolarHBondContact O-N 2.85Å |
| 572 | S | 80.5 | Confident | 82.6 | Confident | 73 Ų | 73 | 95.5 Ų | 95.5 | 51% | 0.51 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.3 | -36.6 | 173.9 | 83.4 | 0 | 0 | 0 | 0 | 112 | T568 D569 D575 S576 | T568-S572 VanDerWaalsContact O-CB 3.32Å; T568-S572 WeakPolarHBondContact O-CB 3.43Å; T568-S572 PolarHBondContact O-N 2.96Å; D569-S572 PolarHBondContact O-N 2.94Å; D569-S572 PolarHBondContact O-OG 2.86Å; S572-D575 PolarHBondContact O-N 3.38Å; S572-S576 WeakPolarHBondContact O-CB 3.45Å; S572-S576 PolarHBondContact O-N 3.32Å |
| 573 | E | 86.2 | Confident | 82.8 | Confident | 118 Ų | 118 | 96.5 Ų | 96.5 | 55% | 0.551 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -65.7 | -48.2 | 171.9 | -175.7 | 172.1 | -164.6 | 0 | 0 | 110.3 | D569 S570 D575 S576 L577 | D569-E573 PolarHBondContact O-N 3.31Å; S570-E573 PolarHBondContact O-N 3.5Å; E573-D575 VanDerWaalsContact C-N 3.32Å; E573-D575 PolarHBondContact O-N 2.94Å; E573-S576 CarbonylContact O-C 3.51Å; E573-S576 WeakPolarHBondContact O-CA 3.45Å; E573-S576 WeakPolarHBondContact O-CB 3.44Å; E573-S576 PolarHBondContact O-N 3.02Å; E573-S576 VanDerWaalsContact O-N 3.13Å; E573-S576 PolarHBondContact O-OG 3.29Å; E573-L577 HydrophobicContact CG-CD1 3.92Å; E573-L577 HydrophobicContact CG-CG 4.31Å; E573-L577 WeakPolarHBondContact O-CB 3.43Å; E573-L577 VanDerWaalsContact O-CG 3.28Å; E573-L577 WeakPolarHBondContact O-CG 3.48Å; E573-L577 PolarHBondContact O-N 2.88Å |
| 574 | V | 82.3 | Confident | 82.9 | Confident | 56 Ų | 56 | 94.6 Ų | 94.6 | 34% | 0.339 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -57.9 | -40.4 | 175.3 | 162.6 | 0 | 0 | 0 | 0 | 111.7 | S570 Q571 L577 R578 | S570-V574 VanDerWaalsContact O-CB 3.29Å; S570-V574 WeakPolarHBondContact O-CB 3.33Å; S570-V574 VanDerWaalsContact O-CG2 3.25Å; S570-V574 WeakPolarHBondContact O-CG2 3.31Å; S570-V574 PolarHBondContact O-N 2.66Å; Q571-V574 CarbonylContact O-C 3.56Å; Q571-V574 PolarHBondContact O-N 3.05Å; V574-L577 PolarHBondContact O-N 3.48Å; V574-R578 HydrophobicContact CG1-CG 4.37Å; V574-R578 VanDerWaalsContact CG1-NE 3.28Å; V574-R578 WeakPolarHBondContact O-CB 3.45Å; V574-R578 WeakPolarHBondContact O-CG 3.37Å; V574-R578 PolarHBondContact O-N 2.92Å |
| 575 | D | 83.4 | Confident | 83.1 | Confident | 76 Ų | 76 | 91.7 Ų | 91.7 | 41% | 0.406 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.3 | -33.1 | 176.4 | -73 | -30.3 | 0 | 0 | 0 | 111.9 | Q571 S572 E573 L577 R578 K579 | Q571-D575 PolarHBondContact NE2-OD1 2.91Å; Q571-D575 VanDerWaalsContact NE2-OD1 3.1Å; Q571-D575 PolarHBondContact NE2-OD2 3.36Å; Q571-D575 WeakPolarHBondContact O-CB 3.35Å; Q571-D575 PolarHBondContact O-N 2.85Å; S572-D575 PolarHBondContact O-N 3.38Å; E573-D575 VanDerWaalsContact C-N 3.32Å; E573-D575 PolarHBondContact O-N 2.94Å; D575-L577 VanDerWaalsContact C-N 3.31Å; D575-L577 PolarHBondContact O-N 3.44Å; D575-R578 PolarHBondContact O-N 2.75Å; D575-R578 WeakPolarHBondContact OD1-CD 3.28Å; D575-K579 VanDerWaalsContact O-CB 3.27Å; D575-K579 WeakPolarHBondContact O-CB 3.41Å; D575-K579 PolarHBondContact O-N 3.34Å |
| 576 | S | 82.9 | Confident | 83.4 | Confident | 49 Ų | 49 | 90.9 Ų | 90.9 | 34% | 0.343 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -65.3 | -35 | 169.2 | 91 | 0 | 0 | 0 | 0 | 112.1 | S572 E573 R580 | S572-S576 WeakPolarHBondContact O-CB 3.45Å; S572-S576 PolarHBondContact O-N 3.32Å; E573-S576 CarbonylContact O-C 3.51Å; E573-S576 WeakPolarHBondContact O-CA 3.45Å; E573-S576 WeakPolarHBondContact O-CB 3.44Å; E573-S576 PolarHBondContact O-N 3.02Å; E573-S576 VanDerWaalsContact O-N 3.13Å; E573-S576 PolarHBondContact O-OG 3.29Å; S576-R580 VanDerWaalsContact O-CB 3.31Å; S576-R580 WeakPolarHBondContact O-CB 3.48Å; S576-R580 PolarHBondContact O-N 3.39Å; S576-R580 PolarHBondContact OG-NH2 3.45Å |
| 577 | L | 82.2 | Confident | 83.6 | Confident | 66 Ų | 66 | 91.3 Ų | 91.3 | 35% | 0.346 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.4 | -40.7 | 177.2 | -72.6 | 171 | 0 | 0 | 0 | 110.7 | E573 V574 D575 K579 R580 I581 | E573-L577 HydrophobicContact CG-CD1 3.92Å; E573-L577 HydrophobicContact CG-CG 4.31Å; E573-L577 WeakPolarHBondContact O-CB 3.43Å; E573-L577 VanDerWaalsContact O-CG 3.28Å; E573-L577 WeakPolarHBondContact O-CG 3.48Å; E573-L577 PolarHBondContact O-N 2.88Å; V574-L577 PolarHBondContact O-N 3.48Å; D575-L577 VanDerWaalsContact C-N 3.31Å; D575-L577 PolarHBondContact O-N 3.44Å; L577-K579 VanDerWaalsContact C-N 3.34Å; L577-R580 PolarHBondContact O-N 2.88Å; L577-I581 VanDerWaalsContact O-CB 3.3Å; L577-I581 WeakPolarHBondContact O-CB 3.45Å; L577-I581 WeakPolarHBondContact O-CD1 3.45Å; L577-I581 WeakPolarHBondContact O-CG1 3.49Å; L577-I581 PolarHBondContact O-N 3.29Å |
| 578 | R | 86.8 | Confident | 83.7 | Confident | 153 Ų | 153 | 90.3 Ų | 90.3 | 58% | 0.577 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.7 | -42.5 | 170.7 | -75.3 | 164.1 | -179.6 | -111.9 | 3.7 | 111.2 | V574 D575 I581 N582 | V574-R578 HydrophobicContact CG1-CG 4.37Å; V574-R578 VanDerWaalsContact CG1-NE 3.28Å; V574-R578 WeakPolarHBondContact O-CB 3.45Å; V574-R578 WeakPolarHBondContact O-CG 3.37Å; V574-R578 PolarHBondContact O-N 2.92Å; D575-R578 PolarHBondContact O-N 2.75Å; D575-R578 WeakPolarHBondContact OD1-CD 3.28Å; R578-I581 PolarHBondContact O-N 3.39Å; R578-N582 WeakPolarHBondContact O-CB 3.46Å; R578-N582 PolarHBondContact O-N 3.4Å |
| 579 | K | 83.8 | Confident | 83.9 | Confident | 127 Ų | 127 | 92 Ų | 92 | 55% | 0.552 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -61 | -48 | 173.7 | -174.5 | 173.3 | -174.7 | -81.6 | 0 | 111.1 | D575 L577 I581 N582 E583 | D575-K579 VanDerWaalsContact O-CB 3.27Å; D575-K579 WeakPolarHBondContact O-CB 3.41Å; D575-K579 PolarHBondContact O-N 3.34Å; L577-K579 VanDerWaalsContact C-N 3.34Å; K579-I581 PolarHBondContact O-N 2.84Å; K579-N582 PolarHBondContact O-N 2.81Å; K579-E583 WeakPolarHBondContact CE-OE1 3.3Å; K579-E583 IonicContact NZ-OE1 3.68Å; K579-E583 PolarHBondContact NZ-OE1 2.93Å; K579-E583 WeakPolarHBondContact O-CB 3.44Å; K579-E583 VanDerWaalsContact O-CG 3.3Å; K579-E583 WeakPolarHBondContact O-CG 3.37Å; K579-E583 PolarHBondContact O-N 3.34Å |
| 580 | R | 84.9 | Confident | 84 | Confident | 133 Ų | 133 | 94 Ų | 94 | 50% | 0.502 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -64.3 | -37.4 | 177.5 | -157 | -179.9 | -47.3 | 155.3 | 16.1 | 112.9 | S576 L577 E583 S584 | S576-R580 VanDerWaalsContact O-CB 3.31Å; S576-R580 WeakPolarHBondContact O-CB 3.48Å; S576-R580 PolarHBondContact O-N 3.39Å; S576-R580 PolarHBondContact OG-NH2 3.45Å; L577-R580 PolarHBondContact O-N 2.88Å; R580-E583 PolarHBondContact O-N 3.01Å; R580-S584 WeakPolarHBondContact O-CB 3.39Å; R580-S584 PolarHBondContact O-N 2.84Å; R580-S584 PolarHBondContact O-OG 3Å |
| 581 | I | 84.3 | Confident | 84.3 | Confident | 103 Ų | 103 | 95.3 Ų | 95.3 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -66.4 | -42 | 173.1 | -73.1 | 163.7 | 0 | 0 | 0 | 110.1 | L577 R578 K579 T585 | L577-I581 VanDerWaalsContact O-CB 3.3Å; L577-I581 WeakPolarHBondContact O-CB 3.45Å; L577-I581 WeakPolarHBondContact O-CD1 3.45Å; L577-I581 WeakPolarHBondContact O-CG1 3.49Å; L577-I581 PolarHBondContact O-N 3.29Å; R578-I581 PolarHBondContact O-N 3.39Å; K579-I581 PolarHBondContact O-N 2.84Å; I581-T585 WeakPolarHBondContact O-CA 3.16Å; I581-T585 WeakPolarHBondContact O-CB 3.24Å; I581-T585 PolarHBondContact O-N 2.96Å; I581-T585 PolarHBondContact O-OG1 3.47Å |
| 582 | N | 84.2 | Confident | 84.3 | Confident | 105 Ų | 105 | 95.1 Ų | 95.1 | 56% | 0.561 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.3 | -42.9 | 173.8 | -87.8 | 1.1 | 0 | 0 | 0 | 111.7 | R578 K579 T585 L586 | R578-N582 WeakPolarHBondContact O-CB 3.46Å; R578-N582 PolarHBondContact O-N 3.4Å; K579-N582 PolarHBondContact O-N 2.81Å; N582-T585 PolarHBondContact O-N 3.04Å; N582-L586 WeakPolarHBondContact O-CB 3.18Å; N582-L586 VanDerWaalsContact O-CG 3.3Å; N582-L586 WeakPolarHBondContact O-CG 3.32Å; N582-L586 PolarHBondContact O-N 3.33Å |
| 583 | E | 86.1 | Confident | 84.5 | Confident | 93 Ų | 93 | 95.3 Ų | 95.3 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -59.5 | -50.6 | 175.4 | -73.5 | 164.1 | 166.7 | 0 | 0 | 110.8 | K579 R580 T585 L586 E587 | K579-E583 WeakPolarHBondContact CE-OE1 3.3Å; K579-E583 IonicContact NZ-OE1 3.68Å; K579-E583 PolarHBondContact NZ-OE1 2.93Å; K579-E583 WeakPolarHBondContact O-CB 3.44Å; K579-E583 VanDerWaalsContact O-CG 3.3Å; K579-E583 WeakPolarHBondContact O-CG 3.37Å; K579-E583 PolarHBondContact O-N 3.34Å; R580-E583 PolarHBondContact O-N 3.01Å; E583-T585 VanDerWaalsContact C-N 3.33Å; E583-T585 PolarHBondContact O-N 3.48Å; E583-L586 PolarHBondContact O-N 3.41Å; E583-E587 WeakPolarHBondContact O-CB 3.19Å; E583-E587 PolarHBondContact O-N 3.14Å |
| 584 | S | 81 | Confident | 84.5 | Confident | 54 Ų | 54 | 93.3 Ų | 93.3 | 38% | 0.378 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.6 | -27.5 | 174.3 | -62.3 | 0 | 0 | 0 | 0 | 113.7 | R580 I588 | R580-S584 WeakPolarHBondContact O-CB 3.39Å; R580-S584 PolarHBondContact O-N 2.84Å; R580-S584 PolarHBondContact O-OG 3Å; S584-I588 VanDerWaalsContact O-CB 3.31Å; S584-I588 WeakPolarHBondContact O-CB 3.38Å; S584-I588 WeakPolarHBondContact O-CD1 3.5Å; S584-I588 WeakPolarHBondContact O-CG1 3.44Å; S584-I588 PolarHBondContact O-N 2.84Å |
| 585 | T | 86.7 | Confident | 84.7 | Confident | 57 Ų | 57 | 95.4 Ų | 95.4 | 35% | 0.35 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -73.3 | -40.4 | 175.6 | -62 | 0 | 0 | 0 | 0 | 110.9 | I581 N582 E583 E587 I588 Q589 | I581-T585 WeakPolarHBondContact O-CA 3.16Å; I581-T585 WeakPolarHBondContact O-CB 3.24Å; I581-T585 PolarHBondContact O-N 2.96Å; I581-T585 PolarHBondContact O-OG1 3.47Å; N582-T585 PolarHBondContact O-N 3.04Å; E583-T585 VanDerWaalsContact C-N 3.33Å; E583-T585 PolarHBondContact O-N 3.48Å; T585-E587 VanDerWaalsContact C-N 3.34Å; T585-I588 PolarHBondContact O-N 3.28Å; T585-Q589 WeakPolarHBondContact O-CB 3.29Å; T585-Q589 VanDerWaalsContact O-CG 3.29Å; T585-Q589 WeakPolarHBondContact O-CG 3.44Å; T585-Q589 PolarHBondContact O-N 3.4Å |
| 586 | L | 85.7 | Confident | 84.7 | Confident | 111 Ų | 111 | 97 Ų | 97 | 58% | 0.581 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.7 | -38.2 | 171.9 | -71.6 | 168.6 | 0 | 0 | 0 | 111.1 | N582 E583 Q589 H590 | N582-L586 WeakPolarHBondContact O-CB 3.18Å; N582-L586 VanDerWaalsContact O-CG 3.3Å; N582-L586 WeakPolarHBondContact O-CG 3.32Å; N582-L586 PolarHBondContact O-N 3.33Å; E583-L586 PolarHBondContact O-N 3.41Å; L586-Q589 PolarHBondContact O-N 2.84Å; L586-H590 WeakPolarHBondContact O-CB 3.49Å; L586-H590 PolarHBondContact O-N 2.82Å |
| 587 | E | 85.6 | Confident | 84.8 | Confident | 122 Ų | 122 | 98.4 Ų | 98.4 | 57% | 0.57 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.4 | -40.9 | 173.8 | -169.1 | 166.8 | -154.6 | 0 | 0 | 111.8 | E583 T585 H590 L591 | E583-E587 WeakPolarHBondContact O-CB 3.19Å; E583-E587 PolarHBondContact O-N 3.14Å; T585-E587 VanDerWaalsContact C-N 3.34Å; E587-H590 PolarHBondContact O-N 3.18Å; E587-L591 HydrophobicContact CG-CD1 4.17Å; E587-L591 VanDerWaalsContact O-CB 3.3Å; E587-L591 WeakPolarHBondContact O-CB 3.35Å; E587-L591 VanDerWaalsContact O-CG 3.23Å; E587-L591 WeakPolarHBondContact O-CG 3.23Å; E587-L591 PolarHBondContact O-N 3.4Å |
| 588 | I | 84.3 | Confident | 84.8 | Confident | 93 Ų | 93 | 100.7 Ų | 100.7 | 48% | 0.477 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -39.5 | 171.4 | -73.4 | 163.7 | 0 | 0 | 0 | 111.3 | S584 T585 L591 N592 | S584-I588 VanDerWaalsContact O-CB 3.31Å; S584-I588 WeakPolarHBondContact O-CB 3.38Å; S584-I588 WeakPolarHBondContact O-CD1 3.5Å; S584-I588 WeakPolarHBondContact O-CG1 3.44Å; S584-I588 PolarHBondContact O-N 2.84Å; T585-I588 PolarHBondContact O-N 3.28Å; I588-L591 PolarHBondContact O-N 3.07Å; I588-N592 VanDerWaalsContact O-CB 3.25Å; I588-N592 WeakPolarHBondContact O-CB 3.32Å; I588-N592 PolarHBondContact O-N 2.69Å; I588-N592 PolarHBondContact O-ND2 2.87Å |
| 589 | Q | 85.1 | Confident | 84.9 | Confident | 116 Ų | 116 | 97.5 Ų | 97.5 | 54% | 0.542 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.9 | -40.4 | 174.5 | -77.4 | 175.4 | -8 | 0 | 0 | 111.8 | T585 L586 N592 S593 | T585-Q589 WeakPolarHBondContact O-CB 3.29Å; T585-Q589 VanDerWaalsContact O-CG 3.29Å; T585-Q589 WeakPolarHBondContact O-CG 3.44Å; T585-Q589 PolarHBondContact O-N 3.4Å; L586-Q589 PolarHBondContact O-N 2.84Å; Q589-N592 PolarHBondContact O-N 2.88Å; Q589-S593 WeakPolarHBondContact O-CB 3.43Å; Q589-S593 PolarHBondContact O-N 3.08Å |
| 590 | H | 84.5 | Confident | 85 | Confident | 119 Ų | 119 | 97.1 Ų | 97.1 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -66.2 | -45 | 174.8 | -177.6 | 55.4 | 0 | 0 | 0 | 111.6 | L586 E587 N592 S593 M594 | L586-H590 WeakPolarHBondContact O-CB 3.49Å; L586-H590 PolarHBondContact O-N 2.82Å; E587-H590 PolarHBondContact O-N 3.18Å; H590-N592 VanDerWaalsContact C-N 3.35Å; H590-N592 PolarHBondContact O-N 3.26Å; H590-S593 WeakPolarHBondContact O-CB 3.26Å; H590-S593 PolarHBondContact O-N 3.39Å; H590-M594 WeakPolarHBondContact O-CB 3.25Å; H590-M594 WeakPolarHBondContact O-CG 3.44Å; H590-M594 PolarHBondContact O-N 2.93Å |
| 591 | L | 84.3 | Confident | 85 | Confident | 91 Ų | 91 | 96 Ų | 96 | 48% | 0.476 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.5 | -37.1 | 174.7 | -73 | 169.8 | 0 | 0 | 0 | 112.1 | E587 I588 L595 | E587-L591 HydrophobicContact CG-CD1 4.17Å; E587-L591 VanDerWaalsContact O-CB 3.3Å; E587-L591 WeakPolarHBondContact O-CB 3.35Å; E587-L591 VanDerWaalsContact O-CG 3.23Å; E587-L591 WeakPolarHBondContact O-CG 3.23Å; E587-L591 PolarHBondContact O-N 3.4Å; I588-L591 PolarHBondContact O-N 3.07Å; L591-L595 WeakPolarHBondContact O-CB 3.27Å; L591-L595 PolarHBondContact O-N 3.37Å |
| 592 | N | 86.1 | Confident | 85.1 | Confident | 83 Ų | 83 | 96.3 Ų | 96.3 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.3 | -36.3 | 173.3 | -75.6 | -21.1 | 0 | 0 | 0 | 112.1 | I588 Q589 H590 L595 N596 | I588-N592 VanDerWaalsContact O-CB 3.25Å; I588-N592 WeakPolarHBondContact O-CB 3.32Å; I588-N592 PolarHBondContact O-N 2.69Å; I588-N592 PolarHBondContact O-ND2 2.87Å; Q589-N592 PolarHBondContact O-N 2.88Å; H590-N592 VanDerWaalsContact C-N 3.35Å; H590-N592 PolarHBondContact O-N 3.26Å; N592-L595 PolarHBondContact O-N 2.89Å; N592-N596 WeakPolarHBondContact O-CB 3.24Å; N592-N596 PolarHBondContact O-N 3.34Å |
| 593 | S | 83.7 | Confident | 85.1 | Confident | 77 Ų | 77 | 94.4 Ų | 94.4 | 54% | 0.538 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65.5 | -44.9 | 173.4 | -176.1 | 0 | 0 | 0 | 0 | 111.1 | Q589 H590 N596 E597 | Q589-S593 WeakPolarHBondContact O-CB 3.43Å; Q589-S593 PolarHBondContact O-N 3.08Å; H590-S593 WeakPolarHBondContact O-CB 3.26Å; H590-S593 PolarHBondContact O-N 3.39Å; S593-N596 PolarHBondContact O-N 2.98Å; S593-E597 WeakPolarHBondContact O-CB 3.41Å; S593-E597 PolarHBondContact O-N 3.1Å |
| 594 | M | 86 | Confident | 85.1 | Confident | 75 Ų | 75 | 93.5 Ų | 93.5 | 37% | 0.369 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 170.6 | -74.9 | 178.9 | 59.8 | 0 | 0 | 111.8 | H590 E597 K598 | H590-M594 WeakPolarHBondContact O-CB 3.25Å; H590-M594 WeakPolarHBondContact O-CG 3.44Å; H590-M594 PolarHBondContact O-N 2.93Å; M594-E597 PolarHBondContact O-N 3.33Å; M594-K598 WeakPolarHBondContact O-CB 3.43Å; M594-K598 VanDerWaalsContact O-CG 3.29Å; M594-K598 WeakPolarHBondContact O-CG 3.41Å; M594-K598 PolarHBondContact O-N 3.03Å |
| 595 | L | 86.5 | Confident | 85.2 | Confident | 100 Ų | 100 | 96.6 Ų | 96.6 | 52% | 0.524 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.7 | -44.1 | 178.7 | -177.5 | 62.6 | 0 | 0 | 0 | 110.9 | L591 N592 K598 Q599 | L591-L595 WeakPolarHBondContact O-CB 3.27Å; L591-L595 PolarHBondContact O-N 3.37Å; N592-L595 PolarHBondContact O-N 2.89Å; L595-K598 PolarHBondContact O-N 2.94Å; L595-Q599 VanDerWaalsContact O-CB 3.32Å; L595-Q599 WeakPolarHBondContact O-CB 3.42Å; L595-Q599 PolarHBondContact O-N 3.45Å |
| 596 | N | 84.7 | Confident | 85.1 | Confident | 111 Ų | 111 | 95.3 Ų | 95.3 | 59% | 0.594 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63.8 | -40.3 | 173.1 | -77 | -7.6 | 0 | 0 | 0 | 112.1 | N592 S593 Q599 M600 | N592-N596 WeakPolarHBondContact O-CB 3.24Å; N592-N596 PolarHBondContact O-N 3.34Å; S593-N596 PolarHBondContact O-N 2.98Å; N596-Q599 PolarHBondContact O-N 2.9Å; N596-M600 WeakPolarHBondContact O-CB 3.36Å; N596-M600 WeakPolarHBondContact O-CG 3.42Å; N596-M600 PolarHBondContact O-N 2.89Å |
| 597 | E | 84.6 | Confident | 85.1 | Confident | 78 Ų | 78 | 96.1 Ų | 96.1 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65.1 | -38.9 | 175.4 | -168.5 | -135.8 | 125 | 0 | 0 | 111.9 | S593 M594 K601 | S593-E597 WeakPolarHBondContact O-CB 3.41Å; S593-E597 PolarHBondContact O-N 3.1Å; M594-E597 PolarHBondContact O-N 3.33Å; E597-K601 HydrophobicContact CG-CD 4.49Å; E597-K601 WeakPolarHBondContact O-CB 3.44Å; E597-K601 VanDerWaalsContact O-CG 3.31Å; E597-K601 WeakPolarHBondContact O-CG 3.36Å; E597-K601 PolarHBondContact O-N 3.35Å; E597-K601 WeakPolarHBondContact OE1-CD 3.45Å; E597-K601 WeakPolarHBondContact OE1-CE 3.43Å; E597-K601 IonicContact OE1-NZ 3.71Å; E597-K601 PolarHBondContact OE1-NZ 3.08Å |
| 598 | K | 83 | Confident | 85.1 | Confident | 114 Ų | 114 | 94.5 Ų | 94.5 | 50% | 0.496 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.7 | -35.8 | 174.2 | -65.1 | -48.3 | 174.8 | -157.1 | 0 | 112.2 | M594 L595 K601 L602 | M594-K598 WeakPolarHBondContact O-CB 3.43Å; M594-K598 VanDerWaalsContact O-CG 3.29Å; M594-K598 WeakPolarHBondContact O-CG 3.41Å; M594-K598 PolarHBondContact O-N 3.03Å; L595-K598 PolarHBondContact O-N 2.94Å; K598-K601 CarbonylContact O-C 3.54Å; K598-K601 PolarHBondContact O-N 3.03Å; K598-L602 VanDerWaalsContact O-CB 3.31Å; K598-L602 WeakPolarHBondContact O-CB 3.49Å; K598-L602 PolarHBondContact O-N 3.48Å |
| 599 | Q | 88 | Confident | 85.1 | Confident | 85 Ų | 85 | 93.6 Ų | 93.6 | 40% | 0.397 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.9 | -49.2 | 173.8 | -171.7 | 62.1 | 50.7 | 0 | 0 | 110.3 | L595 N596 K601 L602 D603 | L595-Q599 VanDerWaalsContact O-CB 3.32Å; L595-Q599 WeakPolarHBondContact O-CB 3.42Å; L595-Q599 PolarHBondContact O-N 3.45Å; N596-Q599 PolarHBondContact O-N 2.9Å; Q599-K601 PolarHBondContact O-N 3.05Å; Q599-L602 CarbonylContact O-C 3.5Å; Q599-L602 WeakPolarHBondContact O-CA 3.26Å; Q599-L602 WeakPolarHBondContact O-CB 3.37Å; Q599-L602 PolarHBondContact O-N 3.5Å; Q599-D603 PolarHBondContact NE2-OD1 2.88Å; Q599-D603 PolarHBondContact O-N 3.33Å |
| 600 | M | 86.1 | Confident | 85.1 | Confident | 120 Ų | 120 | 93.5 Ų | 93.5 | 59% | 0.591 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -56.7 | -38.6 | 174.3 | -68.8 | -97.2 | 71.3 | 0 | 0 | 112.1 | N596 E604 | N596-M600 WeakPolarHBondContact O-CB 3.36Å; N596-M600 WeakPolarHBondContact O-CG 3.42Å; N596-M600 PolarHBondContact O-N 2.89Å; M600-E604 VanDerWaalsContact O-CB 3.23Å; M600-E604 WeakPolarHBondContact O-CB 3.42Å; M600-E604 PolarHBondContact O-N 3.24Å |
| 601 | K | 85.5 | Confident | 85.1 | Confident | 108 Ų | 108 | 93.3 Ų | 93.3 | 47% | 0.47 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -72.8 | -28.5 | 174.2 | -75.4 | 174.2 | 177.3 | 175.8 | 0 | 113.4 | E597 K598 Q599 M605 | E597-K601 HydrophobicContact CG-CD 4.49Å; E597-K601 WeakPolarHBondContact O-CB 3.44Å; E597-K601 VanDerWaalsContact O-CG 3.31Å; E597-K601 WeakPolarHBondContact O-CG 3.36Å; E597-K601 PolarHBondContact O-N 3.35Å; E597-K601 WeakPolarHBondContact OE1-CD 3.45Å; E597-K601 WeakPolarHBondContact OE1-CE 3.43Å; E597-K601 IonicContact OE1-NZ 3.71Å; E597-K601 PolarHBondContact OE1-NZ 3.08Å; K598-K601 CarbonylContact O-C 3.54Å; K598-K601 PolarHBondContact O-N 3.03Å; Q599-K601 PolarHBondContact O-N 3.05Å; K601-M605 VanDerWaalsContact O-CB 3.31Å; K601-M605 WeakPolarHBondContact O-CB 3.14Å; K601-M605 WeakPolarHBondContact O-CG 3.44Å; K601-M605 PolarHBondContact O-N 3.3Å |
| 602 | L | 84.6 | Confident | 85 | Confident | 111 Ų | 111 | 95.2 Ų | 95.2 | 58% | 0.581 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.4 | -39.4 | 172.3 | -174.9 | 63.5 | 0 | 0 | 0 | 111.3 | K598 Q599 M605 G606 | K598-L602 VanDerWaalsContact O-CB 3.31Å; K598-L602 WeakPolarHBondContact O-CB 3.49Å; K598-L602 PolarHBondContact O-N 3.48Å; Q599-L602 CarbonylContact O-C 3.5Å; Q599-L602 WeakPolarHBondContact O-CA 3.26Å; Q599-L602 WeakPolarHBondContact O-CB 3.37Å; Q599-L602 PolarHBondContact O-N 3.5Å; L602-M605 PolarHBondContact O-N 3.47Å; L602-G606 PolarHBondContact O-N 3.32Å |
| 603 | D | 85.7 | Confident | 84.9 | Confident | 65 Ų | 65 | 96.8 Ų | 96.8 | 35% | 0.348 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -70.6 | -32.3 | 176 | -56 | -26.6 | 0 | 0 | 0 | 111.8 | Q599 R607 | Q599-D603 PolarHBondContact NE2-OD1 2.88Å; Q599-D603 PolarHBondContact O-N 3.33Å; D603-R607 PolarHBondContact O-N 2.95Å; D603-R607 VanDerWaalsContact O-N 3.1Å; D603-R607 PolarHBondContact O-NE 3.12Å |
| 604 | E | 85 | Confident | 85 | Confident | 73 Ų | 73 | 96.9 Ų | 96.9 | 34% | 0.341 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -70.3 | -49.3 | 170.8 | -177.8 | 60.8 | -141.4 | 0 | 0 | 111.4 | M600 G606 R607 Q608 | M600-E604 VanDerWaalsContact O-CB 3.23Å; M600-E604 WeakPolarHBondContact O-CB 3.42Å; M600-E604 PolarHBondContact O-N 3.24Å; E604-G606 VanDerWaalsContact C-N 3.28Å; E604-G606 PolarHBondContact O-N 3.4Å; E604-R607 PolarHBondContact O-N 2.86Å; E604-R607 IonicContact OE1-NH1 2.67Å; E604-R607 IonicContact OE2-CZ 2.67Å; E604-R607 IonicContact OE2-NH1 3.93Å; E604-R607 PolarHBondContact OE2-NH1 3.43Å; E604-R607 IonicContact OE2-NH2 2.75Å; E604-R607 PolarHBondContact OE2-NH2 3.29Å; E604-Q608 WeakPolarHBondContact O-CG 3.46Å; E604-Q608 PolarHBondContact O-N 3.11Å; E604-Q608 PolarHBondContact OE1-NE2 3.4Å |
| 605 | M | 83.4 | Confident | 84.8 | Confident | 119 Ų | 119 | 98.3 Ų | 98.3 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.3 | -38.9 | 172.4 | -77.1 | -72.1 | -168.2 | 0 | 0 | 111.9 | K601 L602 Q608 V609 | K601-M605 VanDerWaalsContact O-CB 3.31Å; K601-M605 WeakPolarHBondContact O-CB 3.14Å; K601-M605 WeakPolarHBondContact O-CG 3.44Å; K601-M605 PolarHBondContact O-N 3.3Å; L602-M605 PolarHBondContact O-N 3.47Å; M605-Q608 CarbonylContact O-C 3.57Å; M605-Q608 PolarHBondContact O-N 3.36Å; M605-V609 WeakPolarHBondContact O-CG2 3.46Å; M605-V609 PolarHBondContact O-N 3.36Å |
| 606 | G | 85.1 | Confident | 84.5 | Confident | 31 Ų | 31 | 97.9 Ų | 97.9 | 32% | 0.32 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.7 | -41 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | L602 E604 V609 I610 | L602-G606 PolarHBondContact O-N 3.32Å; E604-G606 VanDerWaalsContact C-N 3.28Å; E604-G606 PolarHBondContact O-N 3.4Å; G606-V609 PolarHBondContact O-N 3.29Å; G606-I610 WeakPolarHBondContact O-CG1 3.47Å; G606-I610 PolarHBondContact O-N 3.3Å |
| 607 | R | 86.1 | Confident | 84.5 | Confident | 128 Ų | 128 | 95.4 Ų | 95.4 | 48% | 0.483 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -65 | -40.4 | 171.5 | -80.6 | 178.3 | -74 | 114.6 | 1 | 112.2 | D603 E604 V609 I610 E611 | D603-R607 PolarHBondContact O-N 2.95Å; D603-R607 VanDerWaalsContact O-N 3.1Å; D603-R607 PolarHBondContact O-NE 3.12Å; E604-R607 PolarHBondContact O-N 2.86Å; E604-R607 IonicContact OE1-NH1 2.67Å; E604-R607 IonicContact OE2-CZ 2.67Å; E604-R607 IonicContact OE2-NH1 3.93Å; E604-R607 PolarHBondContact OE2-NH1 3.43Å; E604-R607 IonicContact OE2-NH2 2.75Å; E604-R607 PolarHBondContact OE2-NH2 3.29Å; R607-V609 VanDerWaalsContact C-N 3.35Å; R607-I610 PolarHBondContact O-N 3.49Å; R607-E611 WeakPolarHBondContact O-CB 3.3Å; R607-E611 PolarHBondContact O-N 2.64Å |
| 608 | Q | 85 | Confident | 84.5 | Confident | 87 Ų | 87 | 95.1 Ų | 95.1 | 41% | 0.407 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.6 | -34.1 | 175.6 | -69.3 | 173.9 | 20.2 | 0 | 0 | 112.4 | E604 M605 M612 | E604-Q608 WeakPolarHBondContact O-CG 3.46Å; E604-Q608 PolarHBondContact O-N 3.11Å; E604-Q608 PolarHBondContact OE1-NE2 3.4Å; M605-Q608 CarbonylContact O-C 3.57Å; M605-Q608 PolarHBondContact O-N 3.36Å; Q608-M612 WeakPolarHBondContact O-CB 3.24Å; Q608-M612 VanDerWaalsContact O-CG 3.29Å; Q608-M612 WeakPolarHBondContact O-CG 3.35Å; Q608-M612 PolarHBondContact O-N 3.06Å |
| 609 | V | 83.6 | Confident | 84.1 | Confident | 75 Ų | 75 | 92.5 Ų | 92.5 | 46% | 0.455 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -49.1 | 170.9 | 168.7 | 0 | 0 | 0 | 0 | 110.6 | M605 G606 R607 E611 M612 E613 | M605-V609 WeakPolarHBondContact O-CG2 3.46Å; M605-V609 PolarHBondContact O-N 3.36Å; G606-V609 PolarHBondContact O-N 3.29Å; R607-V609 VanDerWaalsContact C-N 3.35Å; V609-E611 VanDerWaalsContact C-N 3.29Å; V609-E611 PolarHBondContact O-N 3.24Å; V609-M612 CarbonylContact O-C 3.59Å; V609-M612 PolarHBondContact O-N 3.31Å; V609-E613 HydrophobicContact CG1-CG 4.26Å; V609-E613 WeakPolarHBondContact O-CB 2.79Å; V609-E613 VanDerWaalsContact O-CG 3.32Å; V609-E613 WeakPolarHBondContact O-CG 3.37Å; V609-E613 PolarHBondContact O-N 2.79Å |
| 610 | I | 85.6 | Confident | 83.8 | Confident | 113 Ų | 113 | 92.5 Ų | 92.5 | 58% | 0.579 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.9 | -38.5 | 177.7 | -67.5 | 164 | 0 | 0 | 0 | 111.5 | G606 R607 S614 | G606-I610 WeakPolarHBondContact O-CG1 3.47Å; G606-I610 PolarHBondContact O-N 3.3Å; R607-I610 PolarHBondContact O-N 3.49Å; I610-S614 WeakPolarHBondContact O-CB 3.49Å; I610-S614 PolarHBondContact O-N 3.05Å |
| 611 | E | 85.2 | Confident | 83.7 | Confident | 116 Ų | 116 | 92.9 Ų | 92.9 | 54% | 0.542 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.4 | -44 | 175.4 | -173.4 | 170.7 | -174.8 | 0 | 0 | 111.7 | R607 V609 S614 Q615 | R607-E611 WeakPolarHBondContact O-CB 3.3Å; R607-E611 PolarHBondContact O-N 2.64Å; V609-E611 VanDerWaalsContact C-N 3.29Å; V609-E611 PolarHBondContact O-N 3.24Å; E611-S614 WeakPolarHBondContact O-CB 3.45Å; E611-S614 PolarHBondContact O-N 3.19Å; E611-Q615 WeakPolarHBondContact O-CG 3.43Å; E611-Q615 PolarHBondContact O-N 3.39Å |
| 612 | M | 80.9 | Confident | 83.5 | Confident | 130 Ų | 130 | 94.7 Ų | 94.7 | 64% | 0.64 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.6 | -33.6 | 174.8 | -70.5 | -136.8 | -60.8 | 0 | 0 | 112.9 | Q608 V609 Q615 L616 | Q608-M612 WeakPolarHBondContact O-CB 3.24Å; Q608-M612 VanDerWaalsContact O-CG 3.29Å; Q608-M612 WeakPolarHBondContact O-CG 3.35Å; Q608-M612 PolarHBondContact O-N 3.06Å; V609-M612 CarbonylContact O-C 3.59Å; V609-M612 PolarHBondContact O-N 3.31Å; M612-Q615 PolarHBondContact O-N 3.24Å; M612-L616 WeakPolarHBondContact O-CB 3.33Å; M612-L616 PolarHBondContact O-N 3.26Å |
| 613 | E | 85.5 | Confident | 83.1 | Confident | 117 Ų | 117 | 92.8 Ų | 92.8 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.7 | -39.5 | 171.3 | -75.5 | 174.9 | 167.1 | 0 | 0 | 111.3 | V609 S617 | V609-E613 HydrophobicContact CG1-CG 4.26Å; V609-E613 WeakPolarHBondContact O-CB 2.79Å; V609-E613 VanDerWaalsContact O-CG 3.32Å; V609-E613 WeakPolarHBondContact O-CG 3.37Å; V609-E613 PolarHBondContact O-N 2.79Å; E613-S617 WeakPolarHBondContact O-CB 3.43Å; E613-S617 PolarHBondContact O-N 3.42Å |
| 614 | S | 83.8 | Confident | 83 | Confident | 79 Ų | 79 | 96.4 Ų | 96.4 | 55% | 0.552 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.6 | -44.3 | 174.1 | -171.8 | 0 | 0 | 0 | 0 | 111.9 | I610 E611 S617 S618 | I610-S614 WeakPolarHBondContact O-CB 3.49Å; I610-S614 PolarHBondContact O-N 3.05Å; E611-S614 WeakPolarHBondContact O-CB 3.45Å; E611-S614 PolarHBondContact O-N 3.19Å; S614-S617 PolarHBondContact O-N 3.14Å; S614-S618 PolarHBondContact O-N 3.04Å |
| 615 | Q | 83.3 | Confident | 82.9 | Confident | 104 Ų | 104 | 95.7 Ų | 95.7 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.4 | -45.5 | 174.6 | -71 | 177.9 | 17.2 | 0 | 0 | 111.2 | E611 M612 S617 S618 S619 | E611-Q615 WeakPolarHBondContact O-CG 3.43Å; E611-Q615 PolarHBondContact O-N 3.39Å; M612-Q615 PolarHBondContact O-N 3.24Å; Q615-S617 PolarHBondContact O-N 3.14Å; Q615-S618 PolarHBondContact O-N 3.18Å; Q615-S618 PolarHBondContact O-OG 2.93Å; Q615-S619 WeakPolarHBondContact O-CB 3.38Å; Q615-S619 PolarHBondContact O-N 3.06Å |
| 616 | L | 78.9 | Confident | 82.5 | Confident | 91 Ų | 91 | 94 Ų | 94 | 48% | 0.476 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 175.5 | -167.6 | 77.4 | 0 | 0 | 0 | 111.1 | M612 S618 S619 D620 | M612-L616 WeakPolarHBondContact O-CB 3.33Å; M612-L616 PolarHBondContact O-N 3.26Å; L616-S618 VanDerWaalsContact C-N 3.31Å; L616-S618 PolarHBondContact O-N 3.38Å; L616-S619 CarbonylContact O-C 3.54Å; L616-S619 WeakPolarHBondContact O-CB 3.42Å; L616-S619 PolarHBondContact O-N 3.14Å; L616-S619 VanDerWaalsContact O-N 3.09Å; L616-D620 PolarHBondContact O-N 3.36Å |
| 617 | S | 84.9 | Confident | 82.4 | Confident | 59 Ų | 59 | 95.6 Ų | 95.6 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -36.6 | 176.8 | -170.3 | 0 | 0 | 0 | 0 | 112.9 | E613 S614 Q615 Q621 | E613-S617 WeakPolarHBondContact O-CB 3.43Å; E613-S617 PolarHBondContact O-N 3.42Å; S614-S617 PolarHBondContact O-N 3.14Å; Q615-S617 PolarHBondContact O-N 3.14Å; S617-Q621 WeakPolarHBondContact O-CG 3.28Å; S617-Q621 PolarHBondContact O-N 2.91Å; S617-Q621 VanDerWaalsContact O-N 3.14Å |
| 618 | S | 84.5 | Confident | 82.3 | Confident | 72 Ų | 72 | 92.7 Ų | 92.7 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.8 | -35.8 | 173.5 | 78.8 | 0 | 0 | 0 | 0 | 112.3 | S614 Q615 L616 Q621 Y622 | S614-S618 PolarHBondContact O-N 3.04Å; Q615-S618 PolarHBondContact O-N 3.18Å; Q615-S618 PolarHBondContact O-OG 2.93Å; L616-S618 VanDerWaalsContact C-N 3.31Å; L616-S618 PolarHBondContact O-N 3.38Å; S618-Q621 PolarHBondContact O-N 3.37Å; S618-Y622 WeakPolarHBondContact O-CB 3.44Å; S618-Y622 PolarHBondContact O-N 2.92Å |
| 619 | S | 76.1 | Confident | 82.4 | Confident | 60 Ų | 60 | 92.2 Ų | 92.2 | 42% | 0.42 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70 | -37.7 | 175.8 | -172.2 | 0 | 0 | 0 | 0 | 111.9 | Q615 L616 Y622 T623 | Q615-S619 WeakPolarHBondContact O-CB 3.38Å; Q615-S619 PolarHBondContact O-N 3.06Å; L616-S619 CarbonylContact O-C 3.54Å; L616-S619 WeakPolarHBondContact O-CB 3.42Å; L616-S619 PolarHBondContact O-N 3.14Å; L616-S619 VanDerWaalsContact O-N 3.09Å; S619-Y622 CarbonylContact O-C 3.59Å; S619-Y622 PolarHBondContact O-N 3.31Å; S619-T623 WeakPolarHBondContact O-CG2 3.2Å; S619-T623 PolarHBondContact O-N 3.37Å; S619-T623 PolarHBondContact O-OG1 3.09Å |
| 620 | D | 81.9 | Confident | 82.2 | Confident | 85 Ų | 85 | 93.6 Ų | 93.6 | 46% | 0.455 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.5 | -42.2 | 172.8 | -86.1 | -14.2 | 0 | 0 | 0 | 111.9 | L616 Y622 T623 Q624 | L616-D620 PolarHBondContact O-N 3.36Å; D620-Y622 VanDerWaalsContact C-N 3.3Å; D620-Y622 PolarHBondContact O-N 3.38Å; D620-T623 WeakPolarHBondContact CA-OG1 3.48Å; D620-T623 PolarHBondContact O-N 3.48Å; D620-T623 PolarHBondContact O-OG1 3.21Å; D620-T623 VanDerWaalsContact O-OG1 3.07Å; D620-Q624 WeakPolarHBondContact O-CB 3.25Å; D620-Q624 VanDerWaalsContact O-CG 3.3Å; D620-Q624 WeakPolarHBondContact O-CG 3.37Å; D620-Q624 PolarHBondContact O-N 3.37Å |
| 621 | Q | 83 | Confident | 82.3 | Confident | 128 Ų | 128 | 92.8 Ų | 92.8 | 60% | 0.598 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.6 | -38 | 172.9 | -71.1 | 174.7 | 47.5 | 0 | 0 | 111.2 | S617 S618 S625 | S617-Q621 WeakPolarHBondContact O-CG 3.28Å; S617-Q621 PolarHBondContact O-N 2.91Å; S617-Q621 VanDerWaalsContact O-N 3.14Å; S618-Q621 PolarHBondContact O-N 3.37Å; Q621-S625 WeakPolarHBondContact O-CB 3.25Å; Q621-S625 PolarHBondContact O-N 2.82Å |
| 622 | Y | 80.8 | Confident | 82.3 | Confident | 146 Ų | 146 | 92.1 Ų | 92.1 | 57% | 0.573 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.8 | -43.8 | 176.4 | -172.7 | -118 | 0 | 0 | 0 | 112.5 | S618 S619 D620 S625 L626 | S618-Y622 WeakPolarHBondContact O-CB 3.44Å; S618-Y622 PolarHBondContact O-N 2.92Å; S619-Y622 CarbonylContact O-C 3.59Å; S619-Y622 PolarHBondContact O-N 3.31Å; D620-Y622 VanDerWaalsContact C-N 3.3Å; D620-Y622 PolarHBondContact O-N 3.38Å; Y622-S625 PolarHBondContact O-N 3.44Å; Y622-S625 PolarHBondContact O-OG 2.89Å; Y622-L626 HydrophobicContact CD1-CD1 3.88Å; Y622-L626 HydrophobicContact CE1-CD1 3.45Å; Y622-L626 VanDerWaalsContact CE1-CD1 3.45Å; Y622-L626 HydrophobicContact CE1-CG 4.19Å; Y622-L626 HydrophobicContact CE2-CG 4.44Å; Y622-L626 PolarHBondContact O-N 2.99Å |
| 623 | T | 78 | Confident | 82.4 | Confident | 71 Ų | 71 | 90.2 Ų | 90.2 | 44% | 0.436 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.5 | -34.2 | 175.5 | 53.3 | 0 | 0 | 0 | 0 | 112.4 | S619 D620 L626 S627 | S619-T623 WeakPolarHBondContact O-CG2 3.2Å; S619-T623 PolarHBondContact O-N 3.37Å; S619-T623 PolarHBondContact O-OG1 3.09Å; D620-T623 WeakPolarHBondContact CA-OG1 3.48Å; D620-T623 PolarHBondContact O-N 3.48Å; D620-T623 PolarHBondContact O-OG1 3.21Å; D620-T623 VanDerWaalsContact O-OG1 3.07Å; T623-L626 PolarHBondContact O-N 3.04Å; T623-S627 WeakPolarHBondContact O-CB 3.47Å; T623-S627 PolarHBondContact O-N 2.85Å |
| 624 | Q | 82.2 | Confident | 82.3 | Confident | 141 Ų | 141 | 90.5 Ų | 90.5 | 66% | 0.659 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -62.9 | -43.1 | 169.1 | -75 | -179.4 | 24.2 | 0 | 0 | 111.8 | D620 S627 S628 | D620-Q624 WeakPolarHBondContact O-CB 3.25Å; D620-Q624 VanDerWaalsContact O-CG 3.3Å; D620-Q624 WeakPolarHBondContact O-CG 3.37Å; D620-Q624 PolarHBondContact O-N 3.37Å; Q624-S627 PolarHBondContact O-N 3.03Å; Q624-S628 PolarHBondContact O-N 3.3Å |
| 625 | S | 82.8 | Confident | 82.3 | Confident | 58 Ų | 58 | 90.8 Ų | 90.8 | 41% | 0.406 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 175.8 | 82.2 | 0 | 0 | 0 | 0 | 112.2 | Q621 Y622 S628 V629 | Q621-S625 WeakPolarHBondContact O-CB 3.25Å; Q621-S625 PolarHBondContact O-N 2.82Å; Y622-S625 PolarHBondContact O-N 3.44Å; Y622-S625 PolarHBondContact O-OG 2.89Å; S625-S628 PolarHBondContact O-N 2.74Å; S625-V629 WeakPolarHBondContact O-CG2 3.41Å; S625-V629 PolarHBondContact O-N 2.82Å |
| 626 | L | 75.6 | Confident | 82.4 | Confident | 82 Ų | 82 | 90.3 Ų | 90.3 | 43% | 0.429 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 174.5 | -82.8 | 171.3 | 0 | 0 | 0 | 111.5 | Y622 T623 S628 V629 N630 | Y622-L626 HydrophobicContact CD1-CD1 3.88Å; Y622-L626 HydrophobicContact CE1-CD1 3.45Å; Y622-L626 VanDerWaalsContact CE1-CD1 3.45Å; Y622-L626 HydrophobicContact CE1-CG 4.19Å; Y622-L626 HydrophobicContact CE2-CG 4.44Å; Y622-L626 PolarHBondContact O-N 2.99Å; T623-L626 PolarHBondContact O-N 3.04Å; L626-S628 PolarHBondContact O-N 2.81Å; L626-V629 PolarHBondContact O-N 3.37Å; L626-N630 VanDerWaalsContact O-CB 3.31Å; L626-N630 WeakPolarHBondContact O-CB 3.22Å; L626-N630 PolarHBondContact O-N 3.38Å |
| 627 | S | 83.7 | Confident | 82.5 | Confident | 66 Ų | 66 | 91.2 Ų | 91.2 | 46% | 0.462 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 175.8 | -167 | 0 | 0 | 0 | 0 | 111.4 | T623 Q624 V629 N630 D631 | T623-S627 WeakPolarHBondContact O-CB 3.47Å; T623-S627 PolarHBondContact O-N 2.85Å; Q624-S627 PolarHBondContact O-N 3.03Å; S627-V629 PolarHBondContact O-N 3.3Å; S627-N630 PolarHBondContact O-N 2.89Å; S627-D631 PolarHBondContact O-N 3.23Å |
| 628 | S | 84.2 | Confident | 82.6 | Confident | 67 Ų | 67 | 94.4 Ų | 94.4 | 47% | 0.469 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59 | -47.4 | 174.9 | -169.4 | 0 | 0 | 0 | 0 | 111.5 | Q624 S625 L626 N630 D631 D632 | Q624-S628 PolarHBondContact O-N 3.3Å; S625-S628 PolarHBondContact O-N 2.74Å; L626-S628 PolarHBondContact O-N 2.81Å; S628-N630 VanDerWaalsContact C-N 3.29Å; S628-N630 PolarHBondContact O-N 3.32Å; S628-D631 PolarHBondContact O-N 3.04Å; S628-D632 PolarHBondContact O-N 3.09Å |
| 629 | V | 86 | Confident | 82.7 | Confident | 76 Ų | 76 | 95.8 Ų | 95.8 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -34.1 | 178.1 | 172.3 | 0 | 0 | 0 | 0 | 111.5 | S625 L626 S627 D632 L633 | S625-V629 WeakPolarHBondContact O-CG2 3.41Å; S625-V629 PolarHBondContact O-N 2.82Å; L626-V629 PolarHBondContact O-N 3.37Å; S627-V629 PolarHBondContact O-N 3.3Å; V629-D632 PolarHBondContact O-N 2.74Å; V629-L633 HydrophobicContact CG1-CD1 3.95Å; V629-L633 HydrophobicContact CG1-CG 4.37Å; V629-L633 WeakPolarHBondContact O-CB 3.42Å; V629-L633 VanDerWaalsContact O-CG 3.24Å; V629-L633 WeakPolarHBondContact O-CG 3.37Å; V629-L633 PolarHBondContact O-N 3.02Å |
| 630 | N | 79.9 | Confident | 83.1 | Confident | 105 Ų | 105 | 98.5 Ų | 98.5 | 56% | 0.561 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -72.8 | -36.5 | 178 | -141.7 | 15.7 | 0 | 0 | 0 | 111.8 | L626 S627 S628 M634 | L626-N630 VanDerWaalsContact O-CB 3.31Å; L626-N630 WeakPolarHBondContact O-CB 3.22Å; L626-N630 PolarHBondContact O-N 3.38Å; S627-N630 PolarHBondContact O-N 2.89Å; S628-N630 VanDerWaalsContact C-N 3.29Å; S628-N630 PolarHBondContact O-N 3.32Å; N630-M634 VanDerWaalsContact O-CB 3.26Å; N630-M634 WeakPolarHBondContact O-CB 3.17Å; N630-M634 WeakPolarHBondContact O-CG 3.43Å; N630-M634 PolarHBondContact O-N 2.92Å |
| 631 | D | 86.3 | Confident | 83.3 | Confident | 96 Ų | 96 | 98.6 Ų | 98.6 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.8 | -41.7 | 170.8 | -81.1 | -38.1 | 0 | 0 | 0 | 111.5 | S627 S628 M634 N635 | S627-D631 PolarHBondContact O-N 3.23Å; S628-D631 PolarHBondContact O-N 3.04Å; D631-M634 PolarHBondContact O-N 3.22Å; D631-N635 WeakPolarHBondContact O-CB 3.14Å; D631-N635 PolarHBondContact O-N 3.26Å; D631-N635 PolarHBondContact O-ND2 3.46Å |
| 632 | D | 86 | Confident | 83.5 | Confident | 102 Ų | 102 | 96 Ų | 96 | 55% | 0.545 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.2 | -44.7 | 174 | -75.4 | -36 | 0 | 0 | 0 | 111.7 | S628 V629 N635 E636 | S628-D632 PolarHBondContact O-N 3.09Å; V629-D632 PolarHBondContact O-N 2.74Å; D632-N635 PolarHBondContact O-N 2.84Å; D632-E636 PolarHBondContact O-N 2.82Å |
| 633 | L | 83.3 | Confident | 83.8 | Confident | 90 Ų | 90 | 93.4 Ų | 93.4 | 47% | 0.471 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 175.3 | -75 | 170.9 | 0 | 0 | 0 | 112.6 | V629 N635 E636 L637 | V629-L633 HydrophobicContact CG1-CD1 3.95Å; V629-L633 HydrophobicContact CG1-CG 4.37Å; V629-L633 WeakPolarHBondContact O-CB 3.42Å; V629-L633 VanDerWaalsContact O-CG 3.24Å; V629-L633 WeakPolarHBondContact O-CG 3.37Å; V629-L633 PolarHBondContact O-N 3.02Å; L633-N635 VanDerWaalsContact C-N 3.32Å; L633-E636 PolarHBondContact O-N 3.46Å; L633-L637 VanDerWaalsContact O-CB 3.3Å; L633-L637 WeakPolarHBondContact O-CB 3.44Å; L633-L637 VanDerWaalsContact O-CG 3.3Å; L633-L637 WeakPolarHBondContact O-CG 3.31Å; L633-L637 PolarHBondContact O-N 3.36Å |
| 634 | M | 82.8 | Confident | 84.1 | Confident | 123 Ų | 123 | 94.2 Ų | 94.2 | 61% | 0.606 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.4 | -37.7 | 172.6 | -81.2 | -80.3 | -81.1 | 0 | 0 | 111.6 | N630 D631 K638 | N630-M634 VanDerWaalsContact O-CB 3.26Å; N630-M634 WeakPolarHBondContact O-CB 3.17Å; N630-M634 WeakPolarHBondContact O-CG 3.43Å; N630-M634 PolarHBondContact O-N 2.92Å; D631-M634 PolarHBondContact O-N 3.22Å; M634-K638 VanDerWaalsContact O-CB 3.22Å; M634-K638 WeakPolarHBondContact O-CB 3.41Å; M634-K638 PolarHBondContact O-N 2.98Å |
| 635 | N | 84.8 | Confident | 84.3 | Confident | 84 Ų | 84 | 93 Ų | 93 | 45% | 0.449 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.3 | -41.1 | 173.6 | -76.3 | -56.5 | 0 | 0 | 0 | 112.1 | D631 D632 L633 K638 N639 | D631-N635 WeakPolarHBondContact O-CB 3.14Å; D631-N635 PolarHBondContact O-N 3.26Å; D631-N635 PolarHBondContact O-ND2 3.46Å; D632-N635 PolarHBondContact O-N 2.84Å; L633-N635 VanDerWaalsContact C-N 3.32Å; N635-K638 PolarHBondContact O-N 2.88Å; N635-N639 WeakPolarHBondContact O-CB 3.4Å; N635-N639 PolarHBondContact O-N 3.21Å; N635-N639 PolarHBondContact O-ND2 2.9Å; N635-N639 VanDerWaalsContact O-ND2 3.15Å |
| 636 | E | 84.8 | Confident | 84.6 | Confident | 94 Ų | 94 | 97.2 Ų | 97.2 | 44% | 0.439 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.9 | -47 | 172.9 | -175.9 | 164.3 | -170.6 | 0 | 0 | 111.5 | D632 L633 K638 N639 R640 | D632-E636 PolarHBondContact O-N 2.82Å; L633-E636 PolarHBondContact O-N 3.46Å; E636-K638 VanDerWaalsContact C-N 3.26Å; E636-K638 PolarHBondContact O-N 2.81Å; E636-N639 CarbonylContact O-C 3.59Å; E636-N639 WeakPolarHBondContact O-CA 3.39Å; E636-N639 WeakPolarHBondContact O-CB 3.29Å; E636-N639 PolarHBondContact O-N 2.92Å; E636-R640 HydrophobicContact CG-CG 3.99Å; E636-R640 WeakPolarHBondContact O-CG 3.43Å; E636-R640 PolarHBondContact O-N 3.39Å; E636-R640 IonicContact OE1-CZ 2.66Å; E636-R640 VanDerWaalsContact OE1-CZ 3.3Å; E636-R640 IonicContact OE1-NE 2.89Å; E636-R640 PolarHBondContact OE1-NE 3.27Å; E636-R640 IonicContact OE1-NH2 2.78Å; E636-R640 PolarHBondContact OE1-NH2 3.38Å |
| 637 | L | 80.8 | Confident | 85 | Confident | 110 Ų | 110 | 97.5 Ų | 97.5 | 58% | 0.576 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -55.3 | -41.7 | 176.1 | -79.2 | 170.6 | 0 | 0 | 0 | 112 | L633 R640 T641 | L633-L637 VanDerWaalsContact O-CB 3.3Å; L633-L637 WeakPolarHBondContact O-CB 3.44Å; L633-L637 VanDerWaalsContact O-CG 3.3Å; L633-L637 WeakPolarHBondContact O-CG 3.31Å; L633-L637 PolarHBondContact O-N 3.36Å; L637-R640 PolarHBondContact O-N 2.79Å; L637-T641 WeakPolarHBondContact O-CB 3.42Å; L637-T641 PolarHBondContact O-N 2.91Å; L637-T641 PolarHBondContact O-OG1 2.97Å |
| 638 | K | 87.2 | Confident | 85.1 | Confident | 127 Ų | 127 | 99.2 Ų | 99.2 | 55% | 0.552 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -63.5 | -43.2 | 173.7 | -176.9 | 179.2 | 179.8 | -177.5 | 0 | 112 | M634 N635 E636 T641 N642 | M634-K638 VanDerWaalsContact O-CB 3.22Å; M634-K638 WeakPolarHBondContact O-CB 3.41Å; M634-K638 PolarHBondContact O-N 2.98Å; N635-K638 PolarHBondContact O-N 2.88Å; E636-K638 VanDerWaalsContact C-N 3.26Å; E636-K638 PolarHBondContact O-N 2.81Å; K638-T641 PolarHBondContact O-N 2.89Å; K638-N642 PolarHBondContact O-N 3.18Å; K638-N642 PolarHBondContact O-ND2 3.17Å; K638-N642 VanDerWaalsContact O-ND2 3.16Å; K638-N642 PolarHBondContact O-OD1 3.38Å |
| 639 | N | 86.7 | Confident | 85.2 | Confident | 101 Ų | 101 | 99.6 Ų | 99.6 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 176 | -71 | -28.8 | 0 | 0 | 0 | 112.1 | N635 E636 N642 E643 | N635-N639 WeakPolarHBondContact O-CB 3.4Å; N635-N639 PolarHBondContact O-N 3.21Å; N635-N639 PolarHBondContact O-ND2 2.9Å; N635-N639 VanDerWaalsContact O-ND2 3.15Å; E636-N639 CarbonylContact O-C 3.59Å; E636-N639 WeakPolarHBondContact O-CA 3.39Å; E636-N639 WeakPolarHBondContact O-CB 3.29Å; E636-N639 PolarHBondContact O-N 2.92Å; N639-N642 PolarHBondContact O-N 2.94Å; N639-E643 WeakPolarHBondContact O-CB 3.46Å; N639-E643 PolarHBondContact O-N 3.38Å |
| 640 | R | 84.2 | Confident | 85.2 | Confident | 117 Ų | 117 | 101 Ų | 101 | 44% | 0.442 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.9 | -37.3 | 173.5 | -63.5 | -54.9 | -179.6 | 174.5 | 2.5 | 112.4 | E636 L637 E643 I644 | E636-R640 HydrophobicContact CG-CG 3.99Å; E636-R640 WeakPolarHBondContact O-CG 3.43Å; E636-R640 PolarHBondContact O-N 3.39Å; E636-R640 IonicContact OE1-CZ 2.66Å; E636-R640 VanDerWaalsContact OE1-CZ 3.3Å; E636-R640 IonicContact OE1-NE 2.89Å; E636-R640 PolarHBondContact OE1-NE 3.27Å; E636-R640 IonicContact OE1-NH2 2.78Å; E636-R640 PolarHBondContact OE1-NH2 3.38Å; L637-R640 PolarHBondContact O-N 2.79Å; R640-E643 VanDerWaalsContact CD-OE2 3.26Å; R640-E643 WeakPolarHBondContact CD-OE2 3.41Å; R640-E643 IonicContact CZ-OE2 2.66Å; R640-E643 IonicContact NE-OE2 2.61Å; R640-E643 IonicContact NH1-OE1 3.78Å; R640-E643 IonicContact NH1-OE2 3.4Å; R640-E643 PolarHBondContact NH1-OE2 2.96Å; R640-E643 PolarHBondContact O-N 3.47Å; R640-I644 WeakPolarHBondContact O-CB 3.49Å; R640-I644 VanDerWaalsContact O-CG1 3.25Å; R640-I644 WeakPolarHBondContact O-CG1 3.46Å; R640-I644 PolarHBondContact O-N 3.29Å |
| 641 | T | 86.9 | Confident | 85.4 | Confident | 87 Ų | 87 | 101.1 Ų | 101.1 | 53% | 0.534 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -62.5 | -44.9 | 174.2 | -56.6 | 0 | 0 | 0 | 0 | 110.8 | L637 K638 E643 I644 E645 | L637-T641 WeakPolarHBondContact O-CB 3.42Å; L637-T641 PolarHBondContact O-N 2.91Å; L637-T641 PolarHBondContact O-OG1 2.97Å; K638-T641 PolarHBondContact O-N 2.89Å; T641-E643 VanDerWaalsContact C-N 3.33Å; T641-E643 PolarHBondContact O-N 3.43Å; T641-I644 PolarHBondContact O-N 2.89Å; T641-E645 WeakPolarHBondContact O-CB 3.3Å; T641-E645 PolarHBondContact O-N 3.45Å |
| 642 | N | 86.3 | Confident | 85.4 | Confident | 73 Ų | 73 | 102.4 Ų | 102.4 | 39% | 0.39 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.3 | -34.1 | 175 | -60.1 | -28.3 | 0 | 0 | 0 | 112.7 | K638 N639 K646 | K638-N642 PolarHBondContact O-N 3.18Å; K638-N642 PolarHBondContact O-ND2 3.17Å; K638-N642 VanDerWaalsContact O-ND2 3.16Å; K638-N642 PolarHBondContact O-OD1 3.38Å; N639-N642 PolarHBondContact O-N 2.94Å; N642-K646 WeakPolarHBondContact O-CG 3.46Å; N642-K646 PolarHBondContact O-N 2.93Å; N642-K646 VanDerWaalsContact O-N 3.1Å |
| 643 | E | 86.9 | Confident | 85.5 | Confident | 91 Ų | 91 | 104.2 Ų | 104.2 | 43% | 0.425 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -68.5 | -44.4 | 175.5 | -174 | 170.4 | -130.4 | 0 | 0 | 111.2 | N639 R640 T641 K646 L647 | N639-E643 WeakPolarHBondContact O-CB 3.46Å; N639-E643 PolarHBondContact O-N 3.38Å; R640-E643 VanDerWaalsContact CD-OE2 3.26Å; R640-E643 WeakPolarHBondContact CD-OE2 3.41Å; R640-E643 IonicContact CZ-OE2 2.66Å; R640-E643 IonicContact NE-OE2 2.61Å; R640-E643 IonicContact NH1-OE1 3.78Å; R640-E643 IonicContact NH1-OE2 3.4Å; R640-E643 PolarHBondContact NH1-OE2 2.96Å; R640-E643 PolarHBondContact O-N 3.47Å; T641-E643 VanDerWaalsContact C-N 3.33Å; T641-E643 PolarHBondContact O-N 3.43Å; E643-K646 PolarHBondContact O-N 2.78Å; E643-L647 HydrophobicContact CG-CD1 4.39Å; E643-L647 WeakPolarHBondContact O-CG 3.49Å; E643-L647 PolarHBondContact O-N 2.77Å |
| 644 | I | 84 | Confident | 85.5 | Confident | 89 Ų | 89 | 104.9 Ų | 104.9 | 46% | 0.456 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -42.9 | 173.5 | -69.8 | 164.2 | 0 | 0 | 0 | 111 | R640 T641 K646 L647 Q648 | R640-I644 WeakPolarHBondContact O-CB 3.49Å; R640-I644 VanDerWaalsContact O-CG1 3.25Å; R640-I644 WeakPolarHBondContact O-CG1 3.46Å; R640-I644 PolarHBondContact O-N 3.29Å; T641-I644 PolarHBondContact O-N 2.89Å; I644-K646 VanDerWaalsContact C-N 3.34Å; I644-K646 PolarHBondContact O-N 3.03Å; I644-L647 PolarHBondContact O-N 3.39Å; I644-Q648 HydrophobicContact CG2-CG 4.3Å; I644-Q648 WeakPolarHBondContact O-CB 3.33Å; I644-Q648 WeakPolarHBondContact O-CG 3.3Å; I644-Q648 PolarHBondContact O-N 3.02Å |
| 645 | E | 87 | Confident | 85.5 | Confident | 116 Ų | 116 | 103.9 Ų | 103.9 | 54% | 0.542 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.9 | -38.7 | 177.8 | -173.3 | 175.6 | -144.1 | 0 | 0 | 111.9 | T641 N649 | T641-E645 WeakPolarHBondContact O-CB 3.3Å; T641-E645 PolarHBondContact O-N 3.45Å; E645-N649 PolarHBondContact O-N 3.4Å; E645-N649 VanDerWaalsContact O-N 3.09Å; E645-N649 PolarHBondContact O-ND2 3Å |
| 646 | K | 89 | Confident | 85.5 | Confident | 146 Ų | 146 | 103.3 Ų | 103.3 | 64% | 0.635 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -60.5 | -51.9 | 170.5 | -78.7 | 179.5 | 176.1 | -177.6 | 0 | 111.8 | N642 E643 I644 Q648 N649 E650 | N642-K646 WeakPolarHBondContact O-CG 3.46Å; N642-K646 PolarHBondContact O-N 2.93Å; N642-K646 VanDerWaalsContact O-N 3.1Å; E643-K646 PolarHBondContact O-N 2.78Å; I644-K646 VanDerWaalsContact C-N 3.34Å; I644-K646 PolarHBondContact O-N 3.03Å; K646-Q648 VanDerWaalsContact C-N 3.3Å; K646-Q648 PolarHBondContact O-N 2.75Å; K646-N649 PolarHBondContact O-N 2.86Å; K646-E650 PolarHBondContact O-N 2.68Å |
| 647 | L | 84.6 | Confident | 85.6 | Confident | 88 Ų | 88 | 100.4 Ų | 100.4 | 46% | 0.461 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.4 | -37.4 | -179.8 | -70.2 | 169.2 | 0 | 0 | 0 | 112 | E643 I644 N649 E650 I651 | E643-L647 HydrophobicContact CG-CD1 4.39Å; E643-L647 WeakPolarHBondContact O-CG 3.49Å; E643-L647 PolarHBondContact O-N 2.77Å; I644-L647 PolarHBondContact O-N 3.39Å; L647-N649 VanDerWaalsContact C-N 3.32Å; L647-N649 PolarHBondContact O-N 3.24Å; L647-E650 PolarHBondContact O-N 2.93Å; L647-I651 WeakPolarHBondContact O-CB 3.46Å; L647-I651 WeakPolarHBondContact O-CD1 3.42Å; L647-I651 WeakPolarHBondContact O-CG1 3.44Å; L647-I651 PolarHBondContact O-N 3Å |
| 648 | Q | 86.4 | Confident | 85.7 | Confident | 101 Ų | 101 | 99.8 Ų | 99.8 | 47% | 0.472 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.3 | -35 | 173.1 | -75.5 | -178.1 | 9.4 | 0 | 0 | 112.8 | I644 K646 K652 | I644-Q648 HydrophobicContact CG2-CG 4.3Å; I644-Q648 WeakPolarHBondContact O-CB 3.33Å; I644-Q648 WeakPolarHBondContact O-CG 3.3Å; I644-Q648 PolarHBondContact O-N 3.02Å; K646-Q648 VanDerWaalsContact C-N 3.3Å; K646-Q648 PolarHBondContact O-N 2.75Å; Q648-K652 VanDerWaalsContact O-CG 3.29Å; Q648-K652 WeakPolarHBondContact O-CG 3.3Å; Q648-K652 PolarHBondContact O-N 2.95Å |
| 649 | N | 85.3 | Confident | 85.6 | Confident | 76 Ų | 76 | 98.8 Ų | 98.8 | 41% | 0.406 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.9 | -36.8 | 176.2 | -70.9 | -41.2 | 0 | 0 | 0 | 112.1 | E645 K646 L647 K652 Q653 | E645-N649 PolarHBondContact O-N 3.4Å; E645-N649 VanDerWaalsContact O-N 3.09Å; E645-N649 PolarHBondContact O-ND2 3Å; K646-N649 PolarHBondContact O-N 2.86Å; L647-N649 VanDerWaalsContact C-N 3.32Å; L647-N649 PolarHBondContact O-N 3.24Å; N649-K652 PolarHBondContact O-N 3.07Å; N649-Q653 WeakPolarHBondContact O-CB 3.44Å; N649-Q653 PolarHBondContact O-N 3.34Å |
| 650 | E | 86.9 | Confident | 85.6 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.4 | -41.6 | 169.6 | -71.4 | 178.9 | -176.3 | 0 | 0 | 111.7 | K646 L647 Q653 N654 | K646-E650 PolarHBondContact O-N 2.68Å; L647-E650 PolarHBondContact O-N 2.93Å; E650-Q653 PolarHBondContact O-N 2.91Å; E650-N654 WeakPolarHBondContact O-CB 3.24Å; E650-N654 VanDerWaalsContact O-CG 3.27Å; E650-N654 PolarHBondContact O-N 2.87Å; E650-N654 PolarHBondContact O-ND2 3.44Å |
| 651 | I | 82.9 | Confident | 85.7 | Confident | 106 Ų | 106 | 96.5 Ų | 96.5 | 54% | 0.544 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 173.6 | -72.2 | 164.4 | 0 | 0 | 0 | 111.1 | L647 Q653 N654 M655 | L647-I651 WeakPolarHBondContact O-CB 3.46Å; L647-I651 WeakPolarHBondContact O-CD1 3.42Å; L647-I651 WeakPolarHBondContact O-CG1 3.44Å; L647-I651 PolarHBondContact O-N 3Å; I651-Q653 VanDerWaalsContact C-N 3.35Å; I651-Q653 PolarHBondContact O-N 3.29Å; I651-N654 PolarHBondContact O-N 3.07Å; I651-M655 HydrophobicContact CG2-CG 4.45Å; I651-M655 WeakPolarHBondContact O-CB 3.29Å; I651-M655 VanDerWaalsContact O-CG 3.24Å; I651-M655 WeakPolarHBondContact O-CG 3.38Å; I651-M655 PolarHBondContact O-N 3.4Å |
| 652 | K | 87.2 | Confident | 85.7 | Confident | 124 Ų | 124 | 97.3 Ų | 97.3 | 54% | 0.539 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 173.6 | -74.5 | 167.1 | -171.2 | 164.2 | 0 | 112.1 | Q648 N649 M655 T656 | Q648-K652 VanDerWaalsContact O-CG 3.29Å; Q648-K652 WeakPolarHBondContact O-CG 3.3Å; Q648-K652 PolarHBondContact O-N 2.95Å; N649-K652 PolarHBondContact O-N 3.07Å; K652-M655 WeakPolarHBondContact O-CB 3.41Å; K652-M655 PolarHBondContact O-N 3.36Å; K652-T656 PolarHBondContact O-N 3.5Å; K652-T656 PolarHBondContact O-OG1 2.96Å |
| 653 | Q | 87.8 | Confident | 85.7 | Confident | 139 Ų | 139 | 100.3 Ų | 100.3 | 65% | 0.65 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.1 | -43.2 | 178.7 | -169.1 | 170.1 | 3.7 | 0 | 0 | 111.3 | N649 E650 I651 T656 G657 | N649-Q653 WeakPolarHBondContact O-CB 3.44Å; N649-Q653 PolarHBondContact O-N 3.34Å; E650-Q653 PolarHBondContact O-N 2.91Å; I651-Q653 VanDerWaalsContact C-N 3.35Å; I651-Q653 PolarHBondContact O-N 3.29Å; Q653-T656 PolarHBondContact O-N 2.98Å; Q653-T656 PolarHBondContact O-OG1 2.98Å; Q653-G657 PolarHBondContact O-N 3.38Å |
| 654 | N | 83.6 | Confident | 85.7 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 56% | 0.556 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.9 | -40 | 174.2 | -70.3 | -26.8 | 0 | 0 | 0 | 112.1 | E650 I651 T656 G657 I658 | E650-N654 WeakPolarHBondContact O-CB 3.24Å; E650-N654 VanDerWaalsContact O-CG 3.27Å; E650-N654 PolarHBondContact O-N 2.87Å; E650-N654 PolarHBondContact O-ND2 3.44Å; I651-N654 PolarHBondContact O-N 3.07Å; N654-T656 PolarHBondContact O-N 3.06Å; N654-G657 CarbonylContact O-C 3.57Å; N654-G657 WeakPolarHBondContact O-CA 3.46Å; N654-G657 PolarHBondContact O-N 2.88Å; N654-G657 VanDerWaalsContact O-N 3.14Å; N654-I658 WeakPolarHBondContact O-CG1 3.34Å; N654-I658 PolarHBondContact O-N 2.96Å |
| 655 | M | 83.2 | Confident | 85.8 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 51% | 0.507 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.1 | -47 | 172.4 | -79.9 | -77.4 | -69.1 | 0 | 0 | 111.8 | I651 K652 G657 I658 Q659 | I651-M655 HydrophobicContact CG2-CG 4.45Å; I651-M655 WeakPolarHBondContact O-CB 3.29Å; I651-M655 VanDerWaalsContact O-CG 3.24Å; I651-M655 WeakPolarHBondContact O-CG 3.38Å; I651-M655 PolarHBondContact O-N 3.4Å; K652-M655 WeakPolarHBondContact O-CB 3.41Å; K652-M655 PolarHBondContact O-N 3.36Å; M655-G657 VanDerWaalsContact C-N 3.32Å; M655-G657 PolarHBondContact O-N 2.95Å; M655-I658 PolarHBondContact O-N 2.75Å; M655-Q659 WeakPolarHBondContact O-CG 3.46Å; M655-Q659 PolarHBondContact O-N 2.85Å |
| 656 | T | 84.9 | Confident | 85.8 | Confident | 72 Ų | 72 | 100.6 Ų | 100.6 | 44% | 0.442 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.5 | -31.5 | 175.8 | 56.7 | 0 | 0 | 0 | 0 | 112.8 | K652 Q653 N654 N660 | K652-T656 PolarHBondContact O-N 3.5Å; K652-T656 PolarHBondContact O-OG1 2.96Å; Q653-T656 PolarHBondContact O-N 2.98Å; Q653-T656 PolarHBondContact O-OG1 2.98Å; N654-T656 PolarHBondContact O-N 3.06Å; T656-N660 WeakPolarHBondContact O-CB 3.16Å; T656-N660 PolarHBondContact O-N 3.31Å; T656-N660 PolarHBondContact O-ND2 2.94Å |
| 657 | G | 85.3 | Confident | 85.7 | Confident | 33 Ų | 33 | 99.6 Ų | 99.6 | 34% | 0.34 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q653 N654 M655 S661 | Q653-G657 PolarHBondContact O-N 3.38Å; N654-G657 CarbonylContact O-C 3.57Å; N654-G657 WeakPolarHBondContact O-CA 3.46Å; N654-G657 PolarHBondContact O-N 2.88Å; N654-G657 VanDerWaalsContact O-N 3.14Å; M655-G657 VanDerWaalsContact C-N 3.32Å; M655-G657 PolarHBondContact O-N 2.95Å; G657-S661 WeakPolarHBondContact O-CB 3.22Å; G657-S661 PolarHBondContact O-N 3.46Å; G657-S661 PolarHBondContact O-OG 3.19Å |
| 658 | I | 84.4 | Confident | 85.7 | Confident | 96 Ų | 96 | 100.4 Ų | 100.4 | 49% | 0.492 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65 | -49.7 | 174.5 | -69 | 165.3 | 0 | 0 | 0 | 110.1 | N654 M655 N660 S661 E662 | N654-I658 WeakPolarHBondContact O-CG1 3.34Å; N654-I658 PolarHBondContact O-N 2.96Å; M655-I658 PolarHBondContact O-N 2.75Å; I658-N660 VanDerWaalsContact C-N 3.32Å; I658-N660 PolarHBondContact O-N 3.45Å; I658-S661 CarbonylContact O-C 3.6Å; I658-S661 WeakPolarHBondContact O-CA 3.47Å; I658-S661 WeakPolarHBondContact O-CB 3.49Å; I658-S661 PolarHBondContact O-N 3.25Å; I658-E662 HydrophobicContact CG2-CG 4.27Å; I658-E662 WeakPolarHBondContact O-CG 3.2Å; I658-E662 PolarHBondContact O-N 3.37Å |
| 659 | Q | 85.1 | Confident | 85.7 | Confident | 107 Ų | 107 | 100.8 Ų | 100.8 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58.6 | -40.4 | 178.5 | -72.7 | 176.8 | -32.3 | 0 | 0 | 112.9 | M655 S661 E662 F663 | M655-Q659 WeakPolarHBondContact O-CG 3.46Å; M655-Q659 PolarHBondContact O-N 2.85Å; Q659-S661 VanDerWaalsContact C-N 3.31Å; Q659-S661 PolarHBondContact O-N 2.95Å; Q659-E662 PolarHBondContact O-N 2.91Å; Q659-F663 PolarHBondContact O-N 2.83Å |
| 660 | N | 86.8 | Confident | 85.8 | Confident | 107 Ų | 107 | 103.1 Ų | 103.1 | 57% | 0.572 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -35.4 | 173 | -70.9 | -24.1 | 0 | 0 | 0 | 112 | T656 I658 I664 | T656-N660 WeakPolarHBondContact O-CB 3.16Å; T656-N660 PolarHBondContact O-N 3.31Å; T656-N660 PolarHBondContact O-ND2 2.94Å; I658-N660 VanDerWaalsContact C-N 3.32Å; I658-N660 PolarHBondContact O-N 3.45Å; N660-I664 WeakPolarHBondContact O-CD1 3.36Å; N660-I664 VanDerWaalsContact O-CG1 3.31Å; N660-I664 WeakPolarHBondContact O-CG1 3.13Å; N660-I664 PolarHBondContact O-N 3.3Å; N660-I664 VanDerWaalsContact O-N 3.16Å |
| 661 | S | 86.2 | Confident | 85.8 | Confident | 63 Ų | 63 | 100.9 Ų | 100.9 | 44% | 0.441 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.7 | -40.3 | 176.9 | -55.7 | 0 | 0 | 0 | 0 | 112 | G657 I658 Q659 F663 I664 I665 | G657-S661 WeakPolarHBondContact O-CB 3.22Å; G657-S661 PolarHBondContact O-N 3.46Å; G657-S661 PolarHBondContact O-OG 3.19Å; I658-S661 CarbonylContact O-C 3.6Å; I658-S661 WeakPolarHBondContact O-CA 3.47Å; I658-S661 WeakPolarHBondContact O-CB 3.49Å; I658-S661 PolarHBondContact O-N 3.25Å; Q659-S661 VanDerWaalsContact C-N 3.31Å; Q659-S661 PolarHBondContact O-N 2.95Å; S661-F663 VanDerWaalsContact C-N 3.33Å; S661-F663 PolarHBondContact O-N 2.88Å; S661-I664 PolarHBondContact O-N 3.47Å; S661-I665 WeakPolarHBondContact O-CB 3.35Å; S661-I665 VanDerWaalsContact O-CG1 3.26Å; S661-I665 WeakPolarHBondContact O-CG1 3.46Å; S661-I665 PolarHBondContact O-N 2.77Å |
| 662 | E | 85.4 | Confident | 85.8 | Confident | 103 Ų | 103 | 100.1 Ų | 100.1 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -60.6 | -41.2 | 173 | -70.6 | 178.5 | 133.2 | 0 | 0 | 111.3 | I658 Q659 I665 Q666 | I658-E662 HydrophobicContact CG2-CG 4.27Å; I658-E662 WeakPolarHBondContact O-CG 3.2Å; I658-E662 PolarHBondContact O-N 3.37Å; Q659-E662 PolarHBondContact O-N 2.91Å; E662-I665 PolarHBondContact O-N 2.73Å; E662-Q666 WeakPolarHBondContact O-CG 3.4Å; E662-Q666 PolarHBondContact O-N 3.06Å |
| 663 | F | 87.6 | Confident | 85.7 | Confident | 137 Ų | 137 | 100.4 Ų | 100.4 | 60% | 0.601 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.7 | -43.9 | 175.5 | -167.2 | -86.7 | 0 | 0 | 0 | 112.1 | Q659 S661 I665 Q666 E667 | Q659-F663 PolarHBondContact O-N 2.83Å; S661-F663 VanDerWaalsContact C-N 3.33Å; S661-F663 PolarHBondContact O-N 2.88Å; F663-I665 VanDerWaalsContact C-N 3.34Å; F663-I665 PolarHBondContact O-N 3.5Å; F663-Q666 PolarHBondContact O-N 2.88Å; F663-E667 PolarHBondContact O-N 2.95Å |
| 664 | I | 86.9 | Confident | 85.5 | Confident | 94 Ų | 94 | 98.5 Ų | 98.5 | 48% | 0.482 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -38.4 | 175.2 | -68 | 164.4 | 0 | 0 | 0 | 111.1 | N660 S661 E667 L668 | N660-I664 WeakPolarHBondContact O-CD1 3.36Å; N660-I664 VanDerWaalsContact O-CG1 3.31Å; N660-I664 WeakPolarHBondContact O-CG1 3.13Å; N660-I664 PolarHBondContact O-N 3.3Å; N660-I664 VanDerWaalsContact O-N 3.16Å; S661-I664 PolarHBondContact O-N 3.47Å; I664-E667 PolarHBondContact O-N 3.4Å; I664-L668 HydrophobicContact CG2-CD1 4Å; I664-L668 HydrophobicContact CG2-CG 4.47Å; I664-L668 WeakPolarHBondContact O-CB 3.15Å; I664-L668 VanDerWaalsContact O-CG 3.28Å; I664-L668 WeakPolarHBondContact O-CG 3.35Å; I664-L668 PolarHBondContact O-N 3.35Å |
| 665 | I | 85 | Confident | 85.3 | Confident | 89 Ų | 89 | 98.4 Ų | 98.4 | 46% | 0.456 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.1 | -46 | 175.2 | -71.9 | 163.9 | 0 | 0 | 0 | 110.4 | S661 E662 F663 E667 L668 E669 | S661-I665 WeakPolarHBondContact O-CB 3.35Å; S661-I665 VanDerWaalsContact O-CG1 3.26Å; S661-I665 WeakPolarHBondContact O-CG1 3.46Å; S661-I665 PolarHBondContact O-N 2.77Å; E662-I665 PolarHBondContact O-N 2.73Å; F663-I665 VanDerWaalsContact C-N 3.34Å; F663-I665 PolarHBondContact O-N 3.5Å; I665-E667 VanDerWaalsContact C-N 3.33Å; I665-E667 PolarHBondContact O-N 2.92Å; I665-L668 CarbonylContact O-C 3.59Å; I665-L668 PolarHBondContact O-N 2.83Å; I665-E669 HydrophobicContact CG2-CG 4.23Å; I665-E669 WeakPolarHBondContact O-CB 3.48Å; I665-E669 WeakPolarHBondContact O-CG 3.4Å; I665-E669 PolarHBondContact O-N 2.92Å |
| 666 | Q | 88.1 | Confident | 85.4 | Confident | 118 Ų | 118 | 96.7 Ų | 96.7 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -62.3 | -38.2 | 177.1 | -71.7 | 173.3 | 14.4 | 0 | 0 | 112.6 | E662 F663 E669 F670 | E662-Q666 WeakPolarHBondContact O-CG 3.4Å; E662-Q666 PolarHBondContact O-N 3.06Å; F663-Q666 PolarHBondContact O-N 2.88Å; Q666-E669 PolarHBondContact O-N 2.87Å; Q666-F670 WeakPolarHBondContact O-CB 3.34Å; Q666-F670 PolarHBondContact O-N 3.14Å |
| 667 | E | 87.3 | Confident | 85.3 | Confident | 126 Ų | 126 | 99.5 Ų | 99.5 | 59% | 0.589 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.2 | -38.9 | 175 | -170.4 | 169.4 | -146.8 | 0 | 0 | 111.9 | F663 I664 I665 S671 | F663-E667 PolarHBondContact O-N 2.95Å; I664-E667 PolarHBondContact O-N 3.4Å; I665-E667 VanDerWaalsContact C-N 3.33Å; I665-E667 PolarHBondContact O-N 2.92Å; E667-S671 WeakPolarHBondContact O-CB 3.37Å; E667-S671 PolarHBondContact O-N 2.72Å |
| 668 | L | 83.5 | Confident | 85.1 | Confident | 104 Ų | 104 | 103.2 Ų | 103.2 | 55% | 0.545 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 173.7 | -71.1 | 171 | 0 | 0 | 0 | 112.7 | I664 I665 F670 S671 V672 | I664-L668 HydrophobicContact CG2-CD1 4Å; I664-L668 HydrophobicContact CG2-CG 4.47Å; I664-L668 WeakPolarHBondContact O-CB 3.15Å; I664-L668 VanDerWaalsContact O-CG 3.28Å; I664-L668 WeakPolarHBondContact O-CG 3.35Å; I664-L668 PolarHBondContact O-N 3.35Å; I665-L668 CarbonylContact O-C 3.59Å; I665-L668 PolarHBondContact O-N 2.83Å; L668-F670 VanDerWaalsContact C-N 3.34Å; L668-F670 PolarHBondContact O-N 3.08Å; L668-S671 WeakPolarHBondContact O-CB 3.4Å; L668-S671 PolarHBondContact O-N 3.34Å; L668-V672 WeakPolarHBondContact O-CG2 3.18Å; L668-V672 PolarHBondContact O-N 2.85Å |
| 669 | E | 86.6 | Confident | 84.9 | Confident | 109 Ų | 109 | 103.5 Ų | 103.5 | 51% | 0.509 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.1 | -43 | 174.9 | -76.4 | 178.7 | 163.1 | 0 | 0 | 111.2 | I665 Q666 S671 V672 Q673 | I665-E669 HydrophobicContact CG2-CG 4.23Å; I665-E669 WeakPolarHBondContact O-CB 3.48Å; I665-E669 WeakPolarHBondContact O-CG 3.4Å; I665-E669 PolarHBondContact O-N 2.92Å; Q666-E669 PolarHBondContact O-N 2.87Å; E669-S671 VanDerWaalsContact C-N 3.35Å; E669-V672 PolarHBondContact O-N 3.45Å; E669-Q673 WeakPolarHBondContact O-CG 3.34Å; E669-Q673 PolarHBondContact O-N 3.02Å |
| 670 | F | 87.3 | Confident | 84.8 | Confident | 126 Ų | 126 | 103.9 Ų | 103.9 | 55% | 0.553 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.5 | -39.8 | 174.5 | -176.1 | -115.7 | 0 | 0 | 0 | 112.2 | Q666 L668 Q673 Q674 | Q666-F670 WeakPolarHBondContact O-CB 3.34Å; Q666-F670 PolarHBondContact O-N 3.14Å; L668-F670 VanDerWaalsContact C-N 3.34Å; L668-F670 PolarHBondContact O-N 3.08Å; F670-Q673 PolarHBondContact O-N 3.46Å; F670-Q674 VanDerWaalsContact CZ-NE2 3.29Å; F670-Q674 WeakPolarHBondContact O-CG 3.27Å; F670-Q674 PolarHBondContact O-N 2.89Å |
| 671 | S | 87 | Confident | 84.5 | Confident | 59 Ų | 59 | 104.5 Ų | 104.5 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 173.4 | -171.7 | 0 | 0 | 0 | 0 | 112.1 | E667 L668 E669 Q673 Q674 L675 | E667-S671 WeakPolarHBondContact O-CB 3.37Å; E667-S671 PolarHBondContact O-N 2.72Å; L668-S671 WeakPolarHBondContact O-CB 3.4Å; L668-S671 PolarHBondContact O-N 3.34Å; E669-S671 VanDerWaalsContact C-N 3.35Å; S671-Q673 PolarHBondContact O-N 3.1Å; S671-Q674 PolarHBondContact O-N 3.35Å; S671-L675 WeakPolarHBondContact O-CG 3.43Å; S671-L675 PolarHBondContact O-N 2.9Å |
| 672 | V | 83.6 | Confident | 84.2 | Confident | 90 Ų | 90 | 105 Ų | 105 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -45 | 174.6 | 170.1 | 0 | 0 | 0 | 0 | 110.9 | L668 E669 Q674 L675 T676 | L668-V672 WeakPolarHBondContact O-CG2 3.18Å; L668-V672 PolarHBondContact O-N 2.85Å; E669-V672 PolarHBondContact O-N 3.45Å; V672-Q674 VanDerWaalsContact C-N 3.32Å; V672-Q674 PolarHBondContact O-N 3.32Å; V672-L675 PolarHBondContact O-N 3.33Å; V672-L675 VanDerWaalsContact O-N 3.17Å; V672-T676 PolarHBondContact O-N 3.05Å; V672-T676 PolarHBondContact O-OG1 3.35Å |
| 673 | Q | 84.7 | Confident | 83.9 | Confident | 130 Ų | 130 | 105.4 Ų | 105.4 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.4 | -38.6 | 176.3 | -73.1 | 177.4 | 22.9 | 0 | 0 | 112.7 | E669 F670 S671 K677 | E669-Q673 WeakPolarHBondContact O-CG 3.34Å; E669-Q673 PolarHBondContact O-N 3.02Å; F670-Q673 PolarHBondContact O-N 3.46Å; S671-Q673 PolarHBondContact O-N 3.1Å; Q673-K677 WeakPolarHBondContact O-CB 3.2Å; Q673-K677 PolarHBondContact O-N 3.31Å; Q673-K677 VanDerWaalsContact O-N 3.1Å |
| 674 | Q | 83.9 | Confident | 83.6 | Confident | 98 Ų | 98 | 103.9 Ų | 103.9 | 46% | 0.458 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 173.9 | -71.4 | -168.7 | 24.5 | 0 | 0 | 112.1 | F670 S671 V672 K677 Q678 | F670-Q674 VanDerWaalsContact CZ-NE2 3.29Å; F670-Q674 WeakPolarHBondContact O-CG 3.27Å; F670-Q674 PolarHBondContact O-N 2.89Å; S671-Q674 PolarHBondContact O-N 3.35Å; V672-Q674 VanDerWaalsContact C-N 3.32Å; V672-Q674 PolarHBondContact O-N 3.32Å; Q674-K677 PolarHBondContact O-N 2.82Å; Q674-Q678 WeakPolarHBondContact O-CG 3.3Å; Q674-Q678 PolarHBondContact O-N 3.43Å |
| 675 | L | 79.3 | Confident | 83.3 | Confident | 102 Ų | 102 | 104.8 Ų | 104.8 | 53% | 0.534 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 178.7 | -69.8 | 170.5 | 0 | 0 | 0 | 112.2 | S671 V672 K677 Q678 L679 | S671-L675 WeakPolarHBondContact O-CG 3.43Å; S671-L675 PolarHBondContact O-N 2.9Å; V672-L675 PolarHBondContact O-N 3.33Å; V672-L675 VanDerWaalsContact O-N 3.17Å; L675-K677 VanDerWaalsContact C-N 3.32Å; L675-K677 PolarHBondContact O-N 3.3Å; L675-Q678 PolarHBondContact O-N 3.43Å; L675-L679 PolarHBondContact O-N 2.93Å |
| 676 | T | 84.4 | Confident | 83.2 | Confident | 67 Ų | 67 | 107.3 Ų | 107.3 | 41% | 0.411 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -57.9 | -45.5 | 172.4 | -58.1 | 0 | 0 | 0 | 0 | 110.8 | V672 Q678 L679 E680 | V672-T676 PolarHBondContact O-N 3.05Å; V672-T676 PolarHBondContact O-OG1 3.35Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-Q678 PolarHBondContact O-N 2.84Å; T676-L679 WeakPolarHBondContact O-CB 3.31Å; T676-L679 PolarHBondContact O-N 3.15Å; T676-L679 VanDerWaalsContact O-N 3.11Å; T676-E680 WeakPolarHBondContact O-CG 3.47Å; T676-E680 PolarHBondContact O-N 2.93Å |
| 677 | K | 82.4 | Confident | 82.8 | Confident | 132 Ų | 132 | 105.7 Ų | 105.7 | 57% | 0.574 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68 | -28.9 | 179.6 | -161.2 | 168.5 | -169.6 | 168.5 | 0 | 113.6 | Q673 Q674 L675 Q681 | Q673-K677 WeakPolarHBondContact O-CB 3.2Å; Q673-K677 PolarHBondContact O-N 3.31Å; Q673-K677 VanDerWaalsContact O-N 3.1Å; Q674-K677 PolarHBondContact O-N 2.82Å; L675-K677 VanDerWaalsContact C-N 3.32Å; L675-K677 PolarHBondContact O-N 3.3Å; K677-Q681 WeakPolarHBondContact O-CG 3.45Å; K677-Q681 PolarHBondContact O-N 3.43Å |
| 678 | Q | 81.1 | Confident | 82.5 | Confident | 111 Ų | 111 | 104.9 Ų | 104.9 | 52% | 0.519 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -72.6 | -36.9 | 170 | -71.5 | 176.4 | 9.7 | 0 | 0 | 111.9 | Q674 L675 T676 Q681 S682 | Q674-Q678 WeakPolarHBondContact O-CG 3.3Å; Q674-Q678 PolarHBondContact O-N 3.43Å; L675-Q678 PolarHBondContact O-N 3.43Å; T676-Q678 VanDerWaalsContact C-N 3.32Å; T676-Q678 PolarHBondContact O-N 2.84Å; Q678-Q681 PolarHBondContact O-N 2.84Å; Q678-S682 PolarHBondContact O-N 3.25Å |
| 679 | L | 79.8 | Confident | 82.1 | Confident | 102 Ų | 102 | 103 Ų | 103 | 53% | 0.534 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.6 | -47.5 | 174.9 | -176.6 | 62.9 | 0 | 0 | 0 | 111.2 | L675 T676 Q681 S682 E683 | L675-L679 PolarHBondContact O-N 2.93Å; T676-L679 WeakPolarHBondContact O-CB 3.31Å; T676-L679 PolarHBondContact O-N 3.15Å; T676-L679 VanDerWaalsContact O-N 3.11Å; L679-Q681 VanDerWaalsContact C-N 3.29Å; L679-Q681 PolarHBondContact O-N 3.1Å; L679-S682 WeakPolarHBondContact O-CA 3.26Å; L679-S682 WeakPolarHBondContact O-CB 3.22Å; L679-S682 PolarHBondContact O-N 3.06Å; L679-E683 PolarHBondContact O-N 2.81Å |
| 680 | E | 83 | Confident | 81.7 | Confident | 114 Ų | 114 | 102.2 Ų | 102.2 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -52.9 | -45 | 174.2 | -72.2 | 172.1 | 169.5 | 0 | 0 | 112 | T676 E683 L684 | T676-E680 WeakPolarHBondContact O-CG 3.47Å; T676-E680 PolarHBondContact O-N 2.93Å; E680-E683 PolarHBondContact O-N 3.39Å; E680-L684 WeakPolarHBondContact O-CB 3.45Å; E680-L684 PolarHBondContact O-N 3.38Å |
| 681 | Q | 82.4 | Confident | 81.3 | Confident | 120 Ų | 120 | 102.6 Ų | 102.6 | 56% | 0.561 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -65 | -38.8 | 176.7 | -73.6 | 176.9 | -5.1 | 0 | 0 | 112.6 | K677 Q678 L679 L684 L685 | K677-Q681 WeakPolarHBondContact O-CG 3.45Å; K677-Q681 PolarHBondContact O-N 3.43Å; Q678-Q681 PolarHBondContact O-N 2.84Å; L679-Q681 VanDerWaalsContact C-N 3.29Å; L679-Q681 PolarHBondContact O-N 3.1Å; Q681-L684 PolarHBondContact O-N 3.44Å; Q681-L685 WeakPolarHBondContact O-CG 3.49Å; Q681-L685 PolarHBondContact O-N 2.98Å; Q681-L685 VanDerWaalsContact O-N 3.17Å |
| 682 | S | 79.6 | Confident | 80.8 | Confident | 74 Ų | 74 | 102.9 Ų | 102.9 | 52% | 0.517 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.8 | -42.1 | 175.9 | -168.6 | 0 | 0 | 0 | 0 | 112 | Q678 L679 L685 R686 | Q678-S682 PolarHBondContact O-N 3.25Å; L679-S682 WeakPolarHBondContact O-CA 3.26Å; L679-S682 WeakPolarHBondContact O-CB 3.22Å; L679-S682 PolarHBondContact O-N 3.06Å; S682-L685 PolarHBondContact O-N 2.98Å; S682-R686 PolarHBondContact O-N 3.16Å |
| 683 | E | 78.1 | Confident | 80.5 | Confident | 111 Ų | 111 | 102 Ų | 102 | 52% | 0.519 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 176.4 | -68.9 | -162.3 | 139.5 | 0 | 0 | 112.4 | L679 E680 R686 L687 | L679-E683 PolarHBondContact O-N 2.81Å; E680-E683 PolarHBondContact O-N 3.39Å; E683-R686 WeakPolarHBondContact O-CB 3.44Å; E683-R686 PolarHBondContact O-N 3.27Å; E683-L687 WeakPolarHBondContact O-CB 3.39Å; E683-L687 PolarHBondContact O-N 3Å |
| 684 | L | 82.1 | Confident | 80.1 | Confident | 105 Ų | 105 | 100.5 Ų | 100.5 | 55% | 0.55 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.2 | -46 | 176.5 | -145 | 166.7 | 0 | 0 | 0 | 110.9 | E680 Q681 R686 L687 E688 | E680-L684 WeakPolarHBondContact O-CB 3.45Å; E680-L684 PolarHBondContact O-N 3.38Å; Q681-L684 PolarHBondContact O-N 3.44Å; L684-R686 VanDerWaalsContact C-N 3.34Å; L684-R686 PolarHBondContact O-N 2.78Å; L684-L687 WeakPolarHBondContact O-CB 3.44Å; L684-L687 PolarHBondContact O-N 2.91Å; L684-L687 VanDerWaalsContact O-N 3.14Å; L684-E688 HydrophobicContact CD2-CG 4.34Å; L684-E688 PolarHBondContact O-N 3.43Å |
| 685 | L | 80.2 | Confident | 79.8 | Confident | 114 Ų | 114 | 102.1 Ų | 102.1 | 60% | 0.597 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.3 | -37.9 | 173.9 | -70.6 | 170 | 0 | 0 | 0 | 112.5 | Q681 S682 L687 E688 A689 | Q681-L685 WeakPolarHBondContact O-CG 3.49Å; Q681-L685 PolarHBondContact O-N 2.98Å; Q681-L685 VanDerWaalsContact O-N 3.17Å; S682-L685 PolarHBondContact O-N 2.98Å; L685-L687 VanDerWaalsContact C-N 3.3Å; L685-L687 PolarHBondContact O-N 2.81Å; L685-E688 PolarHBondContact O-N 2.87Å; L685-A689 PolarHBondContact O-N 2.85Å |
| 686 | R | 82.5 | Confident | 79.4 | Confident | 141 Ų | 141 | 100 Ų | 100 | 53% | 0.532 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 173.3 | -164.3 | -168.3 | 69.5 | 67 | 2.5 | 111.3 | S682 E683 L684 A689 E690 | S682-R686 PolarHBondContact O-N 3.16Å; E683-R686 WeakPolarHBondContact O-CB 3.44Å; E683-R686 PolarHBondContact O-N 3.27Å; L684-R686 VanDerWaalsContact C-N 3.34Å; L684-R686 PolarHBondContact O-N 2.78Å; R686-A689 PolarHBondContact O-N 3.44Å; R686-E690 IonicContact CZ-OE2 2.74Å; R686-E690 IonicContact NH1-OE2 3.2Å; R686-E690 PolarHBondContact NH1-OE2 3.19Å; R686-E690 IonicContact NH2-OE2 2.78Å; R686-E690 WeakPolarHBondContact O-CB 3.34Å; R686-E690 PolarHBondContact O-N 3.49Å |
| 687 | L | 79.6 | Confident | 79 | Confident | 84 Ų | 84 | 101.3 Ų | 101.3 | 44% | 0.44 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.3 | -30.2 | -179.1 | -132 | 160.4 | 0 | 0 | 0 | 112.5 | E683 L684 L685 K691 | E683-L687 WeakPolarHBondContact O-CB 3.39Å; E683-L687 PolarHBondContact O-N 3Å; L684-L687 WeakPolarHBondContact O-CB 3.44Å; L684-L687 PolarHBondContact O-N 2.91Å; L684-L687 VanDerWaalsContact O-N 3.14Å; L685-L687 VanDerWaalsContact C-N 3.3Å; L685-L687 PolarHBondContact O-N 2.81Å; L687-K691 WeakPolarHBondContact O-CD 3.4Å; L687-K691 VanDerWaalsContact O-CG 3.31Å; L687-K691 WeakPolarHBondContact O-CG 3.49Å; L687-K691 PolarHBondContact O-N 3.26Å |
| 688 | E | 80.6 | Confident | 78.6 | Confident | 110 Ų | 110 | 98.3 Ų | 98.3 | 51% | 0.514 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71.7 | -42.8 | 170.4 | -69.3 | -173.4 | 152.3 | 0 | 0 | 112.2 | L684 L685 E690 K691 A692 | L684-E688 HydrophobicContact CD2-CG 4.34Å; L684-E688 PolarHBondContact O-N 3.43Å; L685-E688 PolarHBondContact O-N 2.87Å; E688-E690 VanDerWaalsContact C-N 3.32Å; E688-E690 PolarHBondContact O-N 3.47Å; E688-K691 PolarHBondContact O-N 3.28Å; E688-A692 PolarHBondContact O-N 2.94Å |
| 689 | A | 74.8 | Confident | 78 | Confident | 63 Ų | 63 | 99 Ų | 99 | 52% | 0.521 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62 | -38.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | L685 R686 A692 S693 | L685-A689 PolarHBondContact O-N 2.85Å; R686-A689 PolarHBondContact O-N 3.44Å; A689-A692 PolarHBondContact O-N 3.48Å; A689-S693 PolarHBondContact O-N 3.39Å |
| 690 | E | 78.4 | Confident | 77.5 | Confident | 93 Ų | 93 | 97.1 Ų | 97.1 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64 | -41.2 | 175.9 | -165.2 | 175.4 | 148.8 | 0 | 0 | 111.9 | R686 E688 S693 N694 | R686-E690 IonicContact CZ-OE2 2.74Å; R686-E690 IonicContact NH1-OE2 3.2Å; R686-E690 PolarHBondContact NH1-OE2 3.19Å; R686-E690 IonicContact NH2-OE2 2.78Å; R686-E690 WeakPolarHBondContact O-CB 3.34Å; R686-E690 PolarHBondContact O-N 3.49Å; E688-E690 VanDerWaalsContact C-N 3.32Å; E688-E690 PolarHBondContact O-N 3.47Å; E690-S693 PolarHBondContact O-N 3.37Å; E690-N694 PolarHBondContact O-N 3.17Å; E690-N694 VanDerWaalsContact O-N 3.12Å; E690-N694 PolarHBondContact O-ND2 3.33Å; E690-N694 VanDerWaalsContact O-ND2 3.14Å |
| 691 | K | 79.7 | Confident | 76.8 | Confident | 135 Ų | 135 | 94.1 Ų | 94.1 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -42.8 | 173.1 | -72.3 | 165.4 | -176.3 | 168.1 | 0 | 112.3 | L687 E688 N694 H695 | L687-K691 WeakPolarHBondContact O-CD 3.4Å; L687-K691 VanDerWaalsContact O-CG 3.31Å; L687-K691 WeakPolarHBondContact O-CG 3.49Å; L687-K691 PolarHBondContact O-N 3.26Å; E688-K691 PolarHBondContact O-N 3.28Å; K691-N694 PolarHBondContact O-N 3.45Å; K691-H695 PolarHBondContact O-N 2.99Å; K691-H695 VanDerWaalsContact O-N 3.11Å |
| 692 | A | 76.7 | Confident | 76.1 | Confident | 65 Ų | 65 | 91 Ų | 91 | 54% | 0.537 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.1 | -41.3 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | E688 A689 H695 A696 | E688-A692 PolarHBondContact O-N 2.94Å; A689-A692 PolarHBondContact O-N 3.48Å; A692-H695 PolarHBondContact O-N 3.18Å; A692-A696 PolarHBondContact O-N 3.11Å |
| 693 | S | 77.6 | Confident | 75.2 | Confident | 71 Ų | 71 | 93.2 Ų | 93.2 | 50% | 0.497 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 174.6 | -174 | 0 | 0 | 0 | 0 | 112 | A689 E690 H695 A696 V697 | A689-S693 PolarHBondContact O-N 3.39Å; E690-S693 PolarHBondContact O-N 3.37Å; S693-H695 VanDerWaalsContact C-N 3.26Å; S693-H695 PolarHBondContact O-N 3.49Å; S693-A696 PolarHBondContact O-N 3.25Å; S693-V697 WeakPolarHBondContact O-CG2 3.49Å; S693-V697 PolarHBondContact O-N 3.42Å; S693-V697 VanDerWaalsContact O-N 3.13Å |
| 694 | N | 76.7 | Confident | 74.7 | Confident | 99 Ų | 99 | 95.2 Ų | 95.2 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.2 | -32.2 | 179.3 | -72.2 | -35.9 | 0 | 0 | 0 | 112.8 | E690 K691 S698 | E690-N694 PolarHBondContact O-N 3.17Å; E690-N694 VanDerWaalsContact O-N 3.12Å; E690-N694 PolarHBondContact O-ND2 3.33Å; E690-N694 VanDerWaalsContact O-ND2 3.14Å; K691-N694 PolarHBondContact O-N 3.45Å; N694-S698 PolarHBondContact O-N 2.95Å; N694-S698 PolarHBondContact O-OG 3.19Å |
| 695 | H | 77.7 | Confident | 73.9 | Confident | 131 Ų | 131 | 95.3 Ų | 95.3 | 61% | 0.606 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -65.6 | -48.4 | 174.6 | -167.1 | 32 | 0 | 0 | 0 | 111.9 | K691 A692 S693 V697 S698 E699 | K691-H695 PolarHBondContact O-N 2.99Å; K691-H695 VanDerWaalsContact O-N 3.11Å; A692-H695 PolarHBondContact O-N 3.18Å; S693-H695 VanDerWaalsContact C-N 3.26Å; S693-H695 PolarHBondContact O-N 3.49Å; H695-V697 VanDerWaalsContact C-N 3.31Å; H695-V697 PolarHBondContact O-N 2.78Å; H695-S698 PolarHBondContact O-N 3.45Å; H695-S698 VanDerWaalsContact O-N 3.11Å; H695-S698 PolarHBondContact O-OG 2.92Å; H695-E699 PolarHBondContact O-N 3.29Å |
| 696 | A | 70.6 | Confident | 73.2 | Confident | 58 Ų | 58 | 95.6 Ų | 95.6 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.5 | -36.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A692 S693 S700 | A692-A696 PolarHBondContact O-N 3.11Å; S693-A696 PolarHBondContact O-N 3.25Å; A696-S700 WeakPolarHBondContact O-CB 3.43Å; A696-S700 PolarHBondContact O-N 2.83Å |
| 697 | V | 74.5 | Confident | 72 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 58% | 0.576 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -64 | -41.9 | 174.3 | 173.8 | 0 | 0 | 0 | 0 | 111.4 | S693 H695 S700 A701 | S693-V697 WeakPolarHBondContact O-CG2 3.49Å; S693-V697 PolarHBondContact O-N 3.42Å; S693-V697 VanDerWaalsContact O-N 3.13Å; H695-V697 VanDerWaalsContact C-N 3.31Å; H695-V697 PolarHBondContact O-N 2.78Å; V697-S700 PolarHBondContact O-N 2.83Å; V697-A701 PolarHBondContact O-N 3.49Å |
| 698 | S | 74.1 | Confident | 71.1 | Confident | 69 Ų | 69 | 93.6 Ų | 93.6 | 48% | 0.483 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.7 | -35.2 | 178.4 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | N694 H695 A701 A702 | N694-S698 PolarHBondContact O-N 2.95Å; N694-S698 PolarHBondContact O-OG 3.19Å; H695-S698 PolarHBondContact O-N 3.45Å; H695-S698 VanDerWaalsContact O-N 3.11Å; H695-S698 PolarHBondContact O-OG 2.92Å; S698-A701 PolarHBondContact O-N 2.77Å; S698-A702 PolarHBondContact O-N 3.01Å |
| 699 | E | 70.1 | Confident | 70.4 | Confident | 125 Ų | 125 | 94.3 Ų | 94.3 | 58% | 0.584 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -68.4 | -39.6 | 173.8 | -169.2 | 172.8 | -143.9 | 0 | 0 | 111.8 | H695 A701 A702 L703 | H695-E699 PolarHBondContact O-N 3.29Å; E699-A701 VanDerWaalsContact C-N 3.25Å; E699-A701 PolarHBondContact O-N 3.44Å; E699-A702 PolarHBondContact O-N 2.78Å; E699-A702 VanDerWaalsContact O-N 3.14Å; E699-L703 PolarHBondContact O-N 3.22Å |
| 700 | S | 67.5 | Low | 69.4 | Low | 62 Ų | 62 | 97.3 Ų | 97.3 | 43% | 0.434 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.6 | -34 | 173 | -167.5 | 0 | 0 | 0 | 0 | 113 | A696 V697 | A696-S700 WeakPolarHBondContact O-CB 3.43Å; A696-S700 PolarHBondContact O-N 2.83Å; V697-S700 PolarHBondContact O-N 2.83Å |
| 701 | A | 68.4 | Low | 68.1 | Low | 51 Ų | 51 | 97.5 Ų | 97.5 | 42% | 0.421 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -69.6 | -39.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | V697 S698 E699 L703 K704 | V697-A701 PolarHBondContact O-N 3.49Å; S698-A701 PolarHBondContact O-N 2.77Å; E699-A701 VanDerWaalsContact C-N 3.25Å; E699-A701 PolarHBondContact O-N 3.44Å; A701-L703 PolarHBondContact O-N 2.8Å; A701-K704 PolarHBondContact O-N 3.5Å |
| 702 | A | 68 | Low | 66.9 | Low | 56 Ų | 56 | 97.1 Ų | 97.1 | 46% | 0.463 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.8 | -41.8 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | S698 E699 K704 I705 E706 | S698-A702 PolarHBondContact O-N 3.01Å; E699-A702 PolarHBondContact O-N 2.78Å; E699-A702 VanDerWaalsContact O-N 3.14Å; A702-K704 VanDerWaalsContact C-N 3.27Å; A702-K704 PolarHBondContact O-N 3.47Å; A702-I705 WeakPolarHBondContact O-CB 3.42Å; A702-I705 PolarHBondContact O-N 2.93Å; A702-E706 PolarHBondContact O-N 3.37Å |
| 703 | L | 62.1 | Low | 65.9 | Low | 119 Ų | 119 | 103.2 Ų | 103.2 | 62% | 0.623 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -63.5 | -28.8 | 178.8 | -69.6 | 172.4 | 0 | 0 | 0 | 113.4 | E699 A701 I705 E706 L707 | E699-L703 PolarHBondContact O-N 3.22Å; A701-L703 PolarHBondContact O-N 2.8Å; L703-I705 VanDerWaalsContact C-N 3.3Å; L703-I705 PolarHBondContact O-N 2.97Å; L703-E706 PolarHBondContact O-N 3.42Å; L703-L707 PolarHBondContact O-N 2.71Å |
| 704 | K | 66.9 | Low | 64.7 | Low | 153 Ų | 153 | 105.9 Ų | 105.9 | 67% | 0.665 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -69.4 | -27.9 | 173.8 | -68.7 | 175.7 | -178.3 | 174.5 | 0 | 112.7 | A701 A702 L707 A708 | A701-K704 PolarHBondContact O-N 3.5Å; A702-K704 VanDerWaalsContact C-N 3.27Å; A702-K704 PolarHBondContact O-N 3.47Å; K704-L707 PolarHBondContact O-N 2.97Å; K704-A708 PolarHBondContact O-N 3.46Å |
| 705 | I | 65.8 | Low | 63.5 | Low | 107 Ų | 107 | 107.1 Ų | 107.1 | 55% | 0.549 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -78.7 | -30.2 | 178.7 | -61.4 | 169.9 | 0 | 0 | 0 | 111.3 | A702 L703 | A702-I705 WeakPolarHBondContact O-CB 3.42Å; A702-I705 PolarHBondContact O-N 2.93Å; L703-I705 VanDerWaalsContact C-N 3.3Å; L703-I705 PolarHBondContact O-N 2.97Å |
| 706 | E | 65.6 | Low | 62.4 | Low | 121 Ų | 121 | 107.2 Ų | 107.2 | 57% | 0.565 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -63 | -39.9 | 167.5 | -98.7 | -98.6 | 116.8 | 0 | 0 | 111.9 | A702 L703 K709 | A702-E706 PolarHBondContact O-N 3.37Å; L703-E706 PolarHBondContact O-N 3.42Å; E706-K709 PolarHBondContact O-N 2.92Å |
| 707 | L | 56.5 | Low | 61 | Low | 121 Ų | 121 | 110.4 Ų | 110.4 | 63% | 0.634 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -61.4 | -48.6 | -178.5 | -160.3 | 78.3 | 0 | 0 | 0 | 111.9 | L703 K704 K709 K710 | L703-L707 PolarHBondContact O-N 2.71Å; K704-L707 PolarHBondContact O-N 2.97Å; L707-K709 PolarHBondContact O-N 2.77Å; L707-K709 VanDerWaalsContact O-N 3.17Å; L707-K710 VanDerWaalsContact O-CB 3.28Å; L707-K710 WeakPolarHBondContact O-CB 3.44Å; L707-K710 PolarHBondContact O-N 3.09Å |
| 708 | A | 61.7 | Low | 59.7 | Low | 61 Ų | 61 | 112.1 Ų | 112.1 | 50% | 0.504 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -59.7 | -28.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | K704 K710 D711 | K704-A708 PolarHBondContact O-N 3.46Å; A708-K710 PolarHBondContact O-N 3.38Å; A708-D711 PolarHBondContact O-N 2.91Å |
| 709 | K | 63.9 | Low | 58.6 | Low | 126 Ų | 126 | 115.4 Ų | 115.4 | 55% | 0.548 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75.9 | -6.6 | 175.7 | -65.8 | 175.1 | -178.3 | 177.1 | 0 | 113.6 | E706 L707 | E706-K709 PolarHBondContact O-N 2.92Å; L707-K709 PolarHBondContact O-N 2.77Å; L707-K709 VanDerWaalsContact O-N 3.17Å |
| 710 | K | 55.1 | Low | 57.7 | Low | 125 Ų | 125 | 113.9 Ų | 113.9 | 54% | 0.543 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -84 | -39.3 | 169.6 | -59.6 | -80 | 177.9 | 160.2 | 0 | 110.7 | L707 A708 E712 R713 | L707-K710 VanDerWaalsContact O-CB 3.28Å; L707-K710 WeakPolarHBondContact O-CB 3.44Å; L707-K710 PolarHBondContact O-N 3.09Å; A708-K710 PolarHBondContact O-N 3.38Å; K710-E712 VanDerWaalsContact C-N 3.28Å; K710-E712 PolarHBondContact O-N 3.44Å; K710-R713 WeakPolarHBondContact O-CB 3.29Å; K710-R713 PolarHBondContact O-N 2.81Å; K710-R713 VanDerWaalsContact O-N 3.14Å |
| 711 | D | 51.5 | Low | 57 | Low | 98 Ų | 98 | 112.7 Ų | 112.7 | 52% | 0.524 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -65.2 | -32.6 | 179.7 | -60.4 | -43.5 | 0 | 0 | 0 | 112.1 | A708 R713 I714 | A708-D711 PolarHBondContact O-N 2.91Å; D711-R713 PolarHBondContact O-N 2.7Å; D711-R713 VanDerWaalsContact O-N 3.12Å; D711-I714 VanDerWaalsContact O-CB 3.29Å; D711-I714 WeakPolarHBondContact O-CB 3.46Å; D711-I714 PolarHBondContact O-N 3.32Å |
| 712 | E | 54.6 | Low | 56.3 | Low | 127 Ų | 127 | 116.6 Ų | 116.6 | 59% | 0.593 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -58.3 | -23.9 | 174.3 | -163.1 | 175.3 | -165.5 | 0 | 0 | 113.3 | K710 I714 I715 | K710-E712 VanDerWaalsContact C-N 3.28Å; K710-E712 PolarHBondContact O-N 3.44Å; E712-I714 VanDerWaalsContact C-N 3.28Å; E712-I714 PolarHBondContact O-N 2.89Å; E712-I715 HydrophobicContact CG-CD1 3.82Å; E712-I715 WeakPolarHBondContact O-CD1 3.49Å; E712-I715 VanDerWaalsContact O-CG1 3.28Å; E712-I715 WeakPolarHBondContact O-CG1 3.41Å |
| 713 | R | 54.2 | Low | 55.9 | Low | 193 Ų | 193 | 118.1 Ų | 118.1 | 73% | 0.728 | 60% | 0.604 | S | S | * | * | G | 310 helix | trans | -73.6 | -16.4 | 173 | -78.2 | -177.1 | 159.7 | 115.2 | -6.4 | 113.8 | K710 D711 I715 | K710-R713 WeakPolarHBondContact O-CB 3.29Å; K710-R713 PolarHBondContact O-N 2.81Å; K710-R713 VanDerWaalsContact O-N 3.14Å; D711-R713 PolarHBondContact O-N 2.7Å; D711-R713 VanDerWaalsContact O-N 3.12Å; R713-I715 VanDerWaalsContact C-N 3.33Å |
| 714 | I | 52.6 | Low | 55.7 | Low | 127 Ų | 127 | 116.8 Ų | 116.8 | 65% | 0.651 | 60% | 0.597 | S | S | * | * | G | 310 helix | trans | -78 | -19.6 | -179 | -58.3 | 177.9 | 0 | 0 | 0 | 111.7 | D711 E712 N716 | D711-I714 VanDerWaalsContact O-CB 3.29Å; D711-I714 WeakPolarHBondContact O-CB 3.46Å; D711-I714 PolarHBondContact O-N 3.32Å; E712-I714 VanDerWaalsContact C-N 3.28Å; E712-I714 PolarHBondContact O-N 2.89Å; I714-N716 PolarHBondContact O-N 2.87Å; I714-N716 VanDerWaalsContact O-N 3.08Å |
| 715 | I | 53 | Low | 55.5 | Low | 124 Ų | 124 | 114.1 Ų | 114.1 | 64% | 0.636 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -43.8 | -45.6 | 177 | -68.5 | 174.1 | 0 | 0 | 0 | 113 | E712 R713 | E712-I715 HydrophobicContact CG-CD1 3.82Å; E712-I715 WeakPolarHBondContact O-CD1 3.49Å; E712-I715 VanDerWaalsContact O-CG1 3.28Å; E712-I715 WeakPolarHBondContact O-CG1 3.41Å; R713-I715 VanDerWaalsContact C-N 3.33Å |
| 716 | N | 53.7 | Low | 55.3 | Low | 133 Ų | 133 | 117 Ų | 117 | 71% | 0.711 | 61% | 0.605 | S | S | * | * | G | 310 helix | trans | -92.2 | -11.9 | -148.9 | -65.6 | -72.5 | 0 | 0 | 0 | 115.9 | I714 | I714-N716 PolarHBondContact O-N 2.87Å; I714-N716 VanDerWaalsContact O-N 3.08Å |
| 717 | L | 41.1 | Very low | 55.4 | Low | 125 Ų | 125 | 117.5 Ų | 117.5 | 65% | 0.654 | 61% | 0.605 | S | S | * | * | S | Bend | trans | -90.5 | -50.8 | -158 | -94 | 173.4 | 0 | 0 | 0 | 116.4 | ||
| 718 | Q | 47.9 | Very low | 55.7 | Low | 131 Ų | 131 | 116.8 Ų | 116.8 | 61% | 0.612 | 60% | 0.601 | S | S | * | * | trans | -145.5 | 116.8 | -173.7 | -91.7 | 90.6 | 45.2 | 0 | 0 | 115.9 | T720 | Q718-T720 PolarHBondContact O-N 2.99Å; Q718-T720 PolarHBondContact O-OG1 3.46Å | ||
| 719 | N | 50.1 | Low | 56.1 | Low | 138 Ų | 138 | 121.6 Ų | 121.6 | 74% | 0.738 | 61% | 0.611 | S | S | * | * | 57.3 | 14.2 | 112.5 | -51.7 | 1.7 | 0 | 0 | 0 | 118.5 | |||||
| 720 | T | 51.8 | Low | 56.6 | Low | 93 Ų | 93 | 118.9 Ų | 118.9 | 57% | 0.571 | 61% | 0.608 | S | S | * | * | trans | -92.9 | -7 | 166 | 49.2 | 0 | 0 | 0 | 0 | 112.3 | Q718 D722 T723 I724 | Q718-T720 PolarHBondContact O-N 2.99Å; Q718-T720 PolarHBondContact O-OG1 3.46Å; T720-D722 VanDerWaalsContact C-N 3.29Å; T720-D722 PolarHBondContact O-N 3.44Å; T720-T723 WeakPolarHBondContact O-CB 3.33Å; T720-T723 PolarHBondContact O-N 2.9Å; T720-I724 WeakPolarHBondContact O-CG1 3.4Å; T720-I724 PolarHBondContact O-N 3.4Å | ||
| 721 | G | 53.1 | Low | 57.1 | Low | 38 Ų | 38 | 117.7 Ų | 117.7 | 39% | 0.392 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -56.2 | -36.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | T723 I724 T725 | G721-T723 VanDerWaalsContact C-N 3.3Å; G721-T723 PolarHBondContact O-N 3.47Å; G721-I724 WeakPolarHBondContact O-CB 3.49Å; G721-I724 PolarHBondContact O-N 2.83Å; G721-I724 VanDerWaalsContact O-N 3.15Å; G721-T725 PolarHBondContact O-N 3.17Å; G721-T725 VanDerWaalsContact O-N 3.14Å; G721-T725 PolarHBondContact O-OG1 2.88Å |
| 722 | D | 53.2 | Low | 58.2 | Low | 132 Ų | 132 | 119 Ų | 119 | 71% | 0.706 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -64.9 | -36.9 | 177.1 | -57.7 | -40.9 | 0 | 0 | 0 | 111.4 | T720 | T720-D722 VanDerWaalsContact C-N 3.29Å; T720-D722 PolarHBondContact O-N 3.44Å |
| 723 | T | 58.5 | Low | 59.1 | Low | 89 Ų | 89 | 119.8 Ų | 119.8 | 55% | 0.546 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -73.7 | -30.2 | 174.1 | -39.1 | 0 | 0 | 0 | 0 | 112.5 | T720 G721 T725 K727 | T720-T723 WeakPolarHBondContact O-CB 3.33Å; T720-T723 PolarHBondContact O-N 2.9Å; G721-T723 VanDerWaalsContact C-N 3.3Å; G721-T723 PolarHBondContact O-N 3.47Å; T723-T725 VanDerWaalsContact C-N 3.32Å; T723-K727 PolarHBondContact O-N 2.91Å |
| 724 | I | 58.4 | Low | 60.2 | Low | 90 Ų | 90 | 114 Ų | 114 | 46% | 0.462 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -67.2 | -34.9 | 176.9 | -71.1 | 166.5 | 0 | 0 | 0 | 110.8 | T720 G721 Q726 K727 L728 | T720-I724 WeakPolarHBondContact O-CG1 3.4Å; T720-I724 PolarHBondContact O-N 3.4Å; G721-I724 WeakPolarHBondContact O-CB 3.49Å; G721-I724 PolarHBondContact O-N 2.83Å; G721-I724 VanDerWaalsContact O-N 3.15Å; I724-Q726 VanDerWaalsContact C-N 3.3Å; I724-Q726 PolarHBondContact O-N 3.25Å; I724-K727 PolarHBondContact O-N 2.77Å; I724-L728 HydrophobicContact CG2-CD1 4.38Å; I724-L728 HydrophobicContact CG2-CG 4.5Å; I724-L728 PolarHBondContact O-N 2.89Å |
| 725 | T | 63.6 | Low | 61.5 | Low | 97 Ų | 97 | 110.9 Ų | 110.9 | 60% | 0.595 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -60.8 | -34.4 | 179.5 | -57.6 | 0 | 0 | 0 | 0 | 113.1 | G721 T723 | G721-T725 PolarHBondContact O-N 3.17Å; G721-T725 VanDerWaalsContact O-N 3.14Å; G721-T725 PolarHBondContact O-OG1 2.88Å; T723-T725 VanDerWaalsContact C-N 3.32Å |
| 726 | Q | 61.9 | Low | 62.6 | Low | 168 Ų | 168 | 109.2 Ų | 109.2 | 79% | 0.785 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -78.4 | -29.4 | 172.2 | -79 | -170 | -15.9 | 0 | 0 | 113.6 | I724 | I724-Q726 VanDerWaalsContact C-N 3.3Å; I724-Q726 PolarHBondContact O-N 3.25Å |
| 727 | K | 67.5 | Low | 63.8 | Low | 131 Ų | 131 | 109 Ų | 109 | 57% | 0.57 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -73.4 | -32.2 | 175.2 | -79.3 | -175.1 | 172.4 | -178.1 | 0 | 113.3 | T723 I724 K729 S730 L731 | T723-K727 PolarHBondContact O-N 2.91Å; I724-K727 PolarHBondContact O-N 2.77Å; K727-K729 PolarHBondContact O-N 2.92Å; K727-S730 PolarHBondContact O-N 3.41Å; K727-S730 PolarHBondContact O-OG 3.1Å; K727-S730 VanDerWaalsContact O-OG 3.1Å; K727-L731 HydrophobicContact CB-CD1 4.27Å; K727-L731 WeakPolarHBondContact O-CB 3.37Å; K727-L731 WeakPolarHBondContact O-CG 3.49Å; K727-L731 PolarHBondContact O-N 3.49Å |
| 728 | L | 62.3 | Low | 65.5 | Low | 106 Ų | 106 | 106.5 Ų | 106.5 | 56% | 0.555 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -51.5 | -42.9 | 177.5 | -96.4 | 164.3 | 0 | 0 | 0 | 112.1 | I724 S730 L731 E732 | I724-L728 HydrophobicContact CG2-CD1 4.38Å; I724-L728 HydrophobicContact CG2-CG 4.5Å; I724-L728 PolarHBondContact O-N 2.89Å; L728-S730 VanDerWaalsContact C-N 3.32Å; L728-S730 PolarHBondContact O-N 2.9Å; L728-L731 PolarHBondContact O-N 2.84Å; L728-E732 WeakPolarHBondContact O-CB 3.17Å; L728-E732 PolarHBondContact O-N 3.4Å |
| 729 | K | 70.6 | Confident | 67.1 | Low | 163 Ų | 163 | 105.3 Ų | 105.3 | 71% | 0.709 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -73.5 | -17.7 | -174.6 | -149.2 | 170.8 | -170.3 | 174.4 | 0 | 115 | K727 | K727-K729 PolarHBondContact O-N 2.92Å |
| 730 | S | 73.9 | Confident | 68.5 | Low | 69 Ų | 69 | 105.2 Ų | 105.2 | 48% | 0.483 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -95.3 | -31.3 | 169.2 | 53.3 | 0 | 0 | 0 | 0 | 112.3 | K727 L728 E732 Q733 T734 | K727-S730 PolarHBondContact O-N 3.41Å; K727-S730 PolarHBondContact O-OG 3.1Å; K727-S730 VanDerWaalsContact O-OG 3.1Å; L728-S730 VanDerWaalsContact C-N 3.32Å; L728-S730 PolarHBondContact O-N 2.9Å; S730-E732 VanDerWaalsContact C-N 3.32Å; S730-E732 PolarHBondContact O-N 3.15Å; S730-Q733 PolarHBondContact O-N 2.83Å; S730-T734 PolarHBondContact O-N 3.22Å |
| 731 | L | 65.1 | Low | 70.1 | Confident | 100 Ų | 100 | 105.2 Ų | 105.2 | 52% | 0.524 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65 | -33.2 | 172.4 | -72.3 | 169.1 | 0 | 0 | 0 | 112.7 | K727 L728 Q733 T734 S735 | K727-L731 HydrophobicContact CB-CD1 4.27Å; K727-L731 WeakPolarHBondContact O-CB 3.37Å; K727-L731 WeakPolarHBondContact O-CG 3.49Å; K727-L731 PolarHBondContact O-N 3.49Å; L728-L731 PolarHBondContact O-N 2.84Å; L731-Q733 VanDerWaalsContact C-N 3.32Å; L731-Q733 PolarHBondContact O-N 3.15Å; L731-T734 PolarHBondContact O-N 2.8Å; L731-T734 PolarHBondContact O-OG1 3.22Å; L731-T734 VanDerWaalsContact O-OG1 3.1Å; L731-S735 VanDerWaalsContact O-CB 3.31Å; L731-S735 WeakPolarHBondContact O-CB 3.37Å; L731-S735 PolarHBondContact O-N 2.82Å |
| 732 | E | 75.5 | Confident | 71.4 | Confident | 124 Ų | 124 | 107.8 Ų | 107.8 | 58% | 0.579 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -61.2 | -39.2 | 175 | -171 | 172.2 | -144.9 | 0 | 0 | 111.9 | L728 S730 S735 N736 | L728-E732 WeakPolarHBondContact O-CB 3.17Å; L728-E732 PolarHBondContact O-N 3.4Å; S730-E732 VanDerWaalsContact C-N 3.32Å; S730-E732 PolarHBondContact O-N 3.15Å; E732-S735 PolarHBondContact O-N 3.5Å; E732-N736 PolarHBondContact O-N 3.4Å |
| 733 | Q | 73.5 | Confident | 72.8 | Confident | 145 Ų | 145 | 105.1 Ų | 105.1 | 68% | 0.678 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -71 | -36.1 | 174.8 | -71.5 | -168.2 | -36.6 | 0 | 0 | 113 | S730 L731 | S730-Q733 PolarHBondContact O-N 2.83Å; L731-Q733 VanDerWaalsContact C-N 3.32Å; L731-Q733 PolarHBondContact O-N 3.15Å |
| 734 | T | 77.2 | Confident | 74.1 | Confident | 71 Ų | 71 | 108.4 Ų | 108.4 | 44% | 0.436 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -73.5 | -31.9 | 174.5 | 58.9 | 0 | 0 | 0 | 0 | 112.1 | S730 L731 Q737 T738 | S730-T734 PolarHBondContact O-N 3.22Å; L731-T734 PolarHBondContact O-N 2.8Å; L731-T734 PolarHBondContact O-OG1 3.22Å; L731-T734 VanDerWaalsContact O-OG1 3.1Å; T734-Q737 PolarHBondContact O-N 3.43Å; T734-Q737 VanDerWaalsContact O-N 3.17Å; T734-T738 PolarHBondContact O-N 2.85Å; T734-T738 PolarHBondContact O-OG1 3.04Å |
| 735 | S | 78.7 | Confident | 75.3 | Confident | 61 Ų | 61 | 111.8 Ų | 111.8 | 43% | 0.427 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -57.7 | -49.2 | 176 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | L731 E732 Q737 T738 E739 | L731-S735 VanDerWaalsContact O-CB 3.31Å; L731-S735 WeakPolarHBondContact O-CB 3.37Å; L731-S735 PolarHBondContact O-N 2.82Å; E732-S735 PolarHBondContact O-N 3.5Å; S735-Q737 PolarHBondContact O-N 2.71Å; S735-T738 WeakPolarHBondContact CA-OG1 3.42Å; S735-T738 PolarHBondContact O-N 3.19Å; S735-T738 VanDerWaalsContact O-N 3.17Å; S735-T738 PolarHBondContact O-OG1 3.22Å; S735-E739 WeakPolarHBondContact O-CB 3.26Å; S735-E739 PolarHBondContact O-N 2.82Å |
| 736 | N | 77.2 | Confident | 76.3 | Confident | 89 Ų | 89 | 111 Ų | 111 | 48% | 0.476 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -64.7 | -28.2 | 179 | -65.9 | -7.3 | 0 | 0 | 0 | 112.4 | E732 Q740 | E732-N736 PolarHBondContact O-N 3.4Å; N736-Q740 WeakPolarHBondContact O-CG 3.2Å; N736-Q740 PolarHBondContact O-N 3.02Å |
| 737 | Q | 78.8 | Confident | 77.4 | Confident | 129 Ų | 129 | 107.6 Ų | 107.6 | 60% | 0.603 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -76.5 | -40.4 | 173.5 | -68.4 | -178.4 | -7.8 | 0 | 0 | 111.9 | T734 S735 Q740 I741 | T734-Q737 PolarHBondContact O-N 3.43Å; T734-Q737 VanDerWaalsContact O-N 3.17Å; S735-Q737 PolarHBondContact O-N 2.71Å; Q737-Q740 PolarHBondContact O-N 2.89Å; Q737-I741 WeakPolarHBondContact O-CG1 3.48Å; Q737-I741 PolarHBondContact O-N 3.29Å |
| 738 | T | 77.6 | Confident | 78.4 | Confident | 72 Ų | 72 | 103.7 Ų | 103.7 | 44% | 0.442 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.5 | -35.8 | 175.2 | 50.9 | 0 | 0 | 0 | 0 | 111.9 | T734 S735 I741 I742 | T734-T738 PolarHBondContact O-N 2.85Å; T734-T738 PolarHBondContact O-OG1 3.04Å; S735-T738 WeakPolarHBondContact CA-OG1 3.42Å; S735-T738 PolarHBondContact O-N 3.19Å; S735-T738 VanDerWaalsContact O-N 3.17Å; S735-T738 PolarHBondContact O-OG1 3.22Å; T738-I741 PolarHBondContact O-N 3.49Å; T738-I741 VanDerWaalsContact O-N 3.15Å; T738-I742 WeakPolarHBondContact O-CB 3.49Å; T738-I742 WeakPolarHBondContact O-CD1 3.34Å; T738-I742 VanDerWaalsContact O-CG1 3.25Å; T738-I742 WeakPolarHBondContact O-CG1 3.28Å; T738-I742 PolarHBondContact O-N 3.29Å |
| 739 | E | 80.1 | Confident | 79.5 | Confident | 106 Ų | 106 | 102.9 Ų | 102.9 | 50% | 0.495 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 175 | -172.9 | 174.9 | -161.3 | 0 | 0 | 112.4 | S735 I741 I742 N743 | S735-E739 WeakPolarHBondContact O-CB 3.26Å; S735-E739 PolarHBondContact O-N 2.82Å; E739-I741 VanDerWaalsContact C-N 3.26Å; E739-I741 PolarHBondContact O-N 3.5Å; E739-I742 PolarHBondContact O-N 3.35Å; E739-N743 WeakPolarHBondContact O-CB 2.83Å; E739-N743 PolarHBondContact O-N 2.86Å; E739-N743 PolarHBondContact O-ND2 3.47Å |
| 740 | Q | 79.9 | Confident | 80.2 | Confident | 137 Ų | 137 | 99.9 Ų | 99.9 | 64% | 0.64 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.3 | -26.9 | 173.7 | -72.6 | -178.9 | 15.6 | 0 | 0 | 113.6 | N736 Q737 K744 | N736-Q740 WeakPolarHBondContact O-CG 3.2Å; N736-Q740 PolarHBondContact O-N 3.02Å; Q737-Q740 PolarHBondContact O-N 2.89Å; Q740-K744 WeakPolarHBondContact O-CG 3.28Å |
| 741 | I | 84.4 | Confident | 80.8 | Confident | 93 Ų | 93 | 102.8 Ų | 102.8 | 48% | 0.477 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -78.9 | -44.8 | 174.4 | -68.6 | 167.8 | 0 | 0 | 0 | 110.3 | Q737 T738 E739 N743 K744 Y745 | Q737-I741 WeakPolarHBondContact O-CG1 3.48Å; Q737-I741 PolarHBondContact O-N 3.29Å; T738-I741 PolarHBondContact O-N 3.49Å; T738-I741 VanDerWaalsContact O-N 3.15Å; E739-I741 VanDerWaalsContact C-N 3.26Å; E739-I741 PolarHBondContact O-N 3.5Å; I741-N743 PolarHBondContact O-N 2.73Å; I741-K744 WeakPolarHBondContact O-CB 3.48Å; I741-K744 PolarHBondContact O-N 2.95Å; I741-K744 VanDerWaalsContact O-N 3.13Å; I741-Y745 HydrophobicContact CG2-CD2 3.77Å; I741-Y745 HydrophobicContact CG2-CE2 3.57Å; I741-Y745 WeakPolarHBondContact O-CD2 3.37Å; I741-Y745 PolarHBondContact O-N 2.93Å; I741-Y745 VanDerWaalsContact O-N 3.08Å |
| 742 | I | 80.8 | Confident | 81.8 | Confident | 92 Ų | 92 | 102.2 Ų | 102.2 | 47% | 0.472 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58 | -47 | 176.3 | -72.6 | 163.1 | 0 | 0 | 0 | 110.5 | T738 E739 K744 Y745 I746 | T738-I742 WeakPolarHBondContact O-CB 3.49Å; T738-I742 WeakPolarHBondContact O-CD1 3.34Å; T738-I742 VanDerWaalsContact O-CG1 3.25Å; T738-I742 WeakPolarHBondContact O-CG1 3.28Å; T738-I742 PolarHBondContact O-N 3.29Å; E739-I742 PolarHBondContact O-N 3.35Å; I742-K744 VanDerWaalsContact C-N 3.26Å; I742-K744 PolarHBondContact O-N 3.3Å; I742-Y745 PolarHBondContact O-N 2.83Å; I742-I746 HydrophobicContact CG2-CD1 3.62Å; I742-I746 HydrophobicContact CG2-CG1 4.22Å; I742-I746 WeakPolarHBondContact O-CG1 3.11Å; I742-I746 PolarHBondContact O-N 3.46Å |
| 743 | N | 83.1 | Confident | 82.4 | Confident | 75 Ų | 75 | 100.4 Ų | 100.4 | 40% | 0.401 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -28.4 | 178.2 | -74 | -35.3 | 0 | 0 | 0 | 113.4 | E739 I741 N747 | E739-N743 WeakPolarHBondContact O-CB 2.83Å; E739-N743 PolarHBondContact O-N 2.86Å; E739-N743 PolarHBondContact O-ND2 3.47Å; I741-N743 PolarHBondContact O-N 2.73Å; N743-N747 VanDerWaalsContact O-CG 3.25Å; N743-N747 PolarHBondContact O-N 3.19Å; N743-N747 PolarHBondContact O-ND2 3.43Å |
| 744 | K | 85.1 | Confident | 83 | Confident | 159 Ų | 159 | 96.7 Ų | 96.7 | 69% | 0.691 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -71.9 | -40.7 | 171.1 | -74.4 | 175.9 | 179.5 | 179.2 | 0 | 112.3 | Q740 I741 I742 S748 | Q740-K744 WeakPolarHBondContact O-CG 3.28Å; I741-K744 WeakPolarHBondContact O-CB 3.48Å; I741-K744 PolarHBondContact O-N 2.95Å; I741-K744 VanDerWaalsContact O-N 3.13Å; I742-K744 VanDerWaalsContact C-N 3.26Å; I742-K744 PolarHBondContact O-N 3.3Å; K744-S748 WeakPolarHBondContact O-CB 3.31Å; K744-S748 PolarHBondContact O-N 3.01Å |
| 745 | Y | 84.9 | Confident | 83.5 | Confident | 161 Ų | 161 | 96.3 Ų | 96.3 | 63% | 0.631 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -67.4 | -41.7 | 175.5 | -78.4 | -66.4 | 0 | 0 | 0 | 112.2 | I741 I742 N747 S748 E749 | I741-Y745 HydrophobicContact CG2-CD2 3.77Å; I741-Y745 HydrophobicContact CG2-CE2 3.57Å; I741-Y745 WeakPolarHBondContact O-CD2 3.37Å; I741-Y745 PolarHBondContact O-N 2.93Å; I741-Y745 VanDerWaalsContact O-N 3.08Å; I742-Y745 PolarHBondContact O-N 2.83Å; Y745-N747 PolarHBondContact O-N 3.34Å; Y745-S748 PolarHBondContact O-N 3.41Å; Y745-E749 PolarHBondContact O-N 3.1Å |
| 746 | I | 84.7 | Confident | 84 | Confident | 80 Ų | 80 | 97.1 Ų | 97.1 | 41% | 0.41 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -57.4 | -49.3 | 175.2 | -70.7 | 170.6 | 0 | 0 | 0 | 110.7 | I742 S748 E749 I750 | I742-I746 HydrophobicContact CG2-CD1 3.62Å; I742-I746 HydrophobicContact CG2-CG1 4.22Å; I742-I746 WeakPolarHBondContact O-CG1 3.11Å; I742-I746 PolarHBondContact O-N 3.46Å; I746-S748 VanDerWaalsContact C-N 3.33Å; I746-S748 PolarHBondContact O-N 2.96Å; I746-E749 PolarHBondContact O-N 3.03Å; I746-I750 HydrophobicContact CG2-CD1 3.8Å; I746-I750 WeakPolarHBondContact O-CG1 3.37Å; I746-I750 PolarHBondContact O-N 3.21Å |
| 747 | N | 84.2 | Confident | 84.4 | Confident | 97 Ų | 97 | 98.9 Ų | 98.9 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.8 | -40.1 | 178.3 | -69.8 | -7.6 | 0 | 0 | 0 | 112.1 | N743 Y745 E749 I750 E751 | N743-N747 VanDerWaalsContact O-CG 3.25Å; N743-N747 PolarHBondContact O-N 3.19Å; N743-N747 PolarHBondContact O-ND2 3.43Å; Y745-N747 PolarHBondContact O-N 3.34Å; N747-E749 VanDerWaalsContact C-N 3.34Å; N747-E749 PolarHBondContact O-N 3.08Å; N747-I750 PolarHBondContact O-N 3.34Å; N747-E751 WeakPolarHBondContact O-CG 3.5Å; N747-E751 PolarHBondContact O-N 2.87Å |
| 748 | S | 89.2 | Confident | 84.9 | Confident | 49 Ų | 49 | 98.5 Ų | 98.5 | 34% | 0.343 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -67.2 | -31.3 | 176.1 | -174.5 | 0 | 0 | 0 | 0 | 113.4 | K744 Y745 I746 K752 | K744-S748 WeakPolarHBondContact O-CB 3.31Å; K744-S748 PolarHBondContact O-N 3.01Å; Y745-S748 PolarHBondContact O-N 3.41Å; I746-S748 VanDerWaalsContact C-N 3.33Å; I746-S748 PolarHBondContact O-N 2.96Å; S748-K752 WeakPolarHBondContact O-CE 3.31Å; S748-K752 WeakPolarHBondContact O-CG 3.49Å; S748-K752 PolarHBondContact O-N 3.36Å; S748-K752 VanDerWaalsContact O-N 3.15Å |
| 749 | E | 84.7 | Confident | 85.3 | Confident | 89 Ų | 89 | 99.2 Ų | 99.2 | 42% | 0.416 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -74.3 | -37.6 | 173.9 | -138.6 | 64.6 | -137.8 | 0 | 0 | 111.6 | Y745 I746 N747 E751 K752 D753 | Y745-E749 PolarHBondContact O-N 3.1Å; I746-E749 PolarHBondContact O-N 3.03Å; N747-E749 VanDerWaalsContact C-N 3.34Å; N747-E749 PolarHBondContact O-N 3.08Å; E749-E751 VanDerWaalsContact C-N 3.32Å; E749-E751 PolarHBondContact O-N 3.09Å; E749-K752 CarbonylContact O-C 3.59Å; E749-K752 WeakPolarHBondContact O-CA 3.3Å; E749-K752 WeakPolarHBondContact O-CB 3.5Å; E749-K752 PolarHBondContact O-N 3.08Å; E749-K752 VanDerWaalsContact O-N 3.12Å; E749-K752 WeakPolarHBondContact OE1-CE 3.38Å; E749-K752 IonicContact OE1-NZ 3.23Å; E749-K752 PolarHBondContact OE1-NZ 2.92Å; E749-K752 IonicContact OE2-NZ 2.58Å; E749-K752 PolarHBondContact OE2-NZ 2.71Å; E749-D753 PolarHBondContact O-N 3.19Å |
| 750 | I | 85.7 | Confident | 85.8 | Confident | 100 Ų | 100 | 99 Ų | 99 | 51% | 0.513 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.2 | -39.5 | 173 | -68 | 164.9 | 0 | 0 | 0 | 111 | I746 N747 D753 S754 | I746-I750 HydrophobicContact CG2-CD1 3.8Å; I746-I750 WeakPolarHBondContact O-CG1 3.37Å; I746-I750 PolarHBondContact O-N 3.21Å; N747-I750 PolarHBondContact O-N 3.34Å; I750-D753 PolarHBondContact O-N 2.81Å; I750-S754 WeakPolarHBondContact O-CB 3.46Å; I750-S754 PolarHBondContact O-N 3.15Å |
| 751 | E | 86.3 | Confident | 86.1 | Confident | 129 Ų | 129 | 96.9 Ų | 96.9 | 60% | 0.603 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.3 | -41.1 | 172.4 | -74.1 | 173.7 | 173.7 | 0 | 0 | 111.8 | N747 E749 S754 T755 | N747-E751 WeakPolarHBondContact O-CG 3.5Å; N747-E751 PolarHBondContact O-N 2.87Å; E749-E751 VanDerWaalsContact C-N 3.32Å; E749-E751 PolarHBondContact O-N 3.09Å; E751-S754 PolarHBondContact O-OG 2.87Å; E751-T755 PolarHBondContact O-N 3.47Å; E751-T755 VanDerWaalsContact O-N 3.13Å; E751-T755 PolarHBondContact O-OG1 3.47Å |
| 752 | K | 86.6 | Confident | 86.3 | Confident | 88 Ų | 88 | 96.2 Ų | 96.2 | 38% | 0.383 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -64.1 | -48.2 | 173.2 | -75.8 | 179.8 | -111.9 | 158.9 | 0 | 112.4 | S748 E749 S754 T755 I756 | S748-K752 WeakPolarHBondContact O-CE 3.31Å; S748-K752 WeakPolarHBondContact O-CG 3.49Å; S748-K752 PolarHBondContact O-N 3.36Å; S748-K752 VanDerWaalsContact O-N 3.15Å; E749-K752 CarbonylContact O-C 3.59Å; E749-K752 WeakPolarHBondContact O-CA 3.3Å; E749-K752 WeakPolarHBondContact O-CB 3.5Å; E749-K752 PolarHBondContact O-N 3.08Å; E749-K752 VanDerWaalsContact O-N 3.12Å; E749-K752 WeakPolarHBondContact OE1-CE 3.38Å; E749-K752 IonicContact OE1-NZ 3.23Å; E749-K752 PolarHBondContact OE1-NZ 2.92Å; E749-K752 IonicContact OE2-NZ 2.58Å; E749-K752 PolarHBondContact OE2-NZ 2.71Å; K752-S754 VanDerWaalsContact C-N 3.3Å; K752-S754 PolarHBondContact O-N 3.25Å; K752-T755 WeakPolarHBondContact CA-OG1 3.39Å; K752-T755 PolarHBondContact O-N 2.93Å; K752-T755 VanDerWaalsContact O-N 3.11Å; K752-T755 PolarHBondContact O-OG1 2.89Å; K752-I756 WeakPolarHBondContact O-CB 3.11Å; K752-I756 VanDerWaalsContact O-CG1 3.27Å; K752-I756 WeakPolarHBondContact O-CG1 3.33Å; K752-I756 PolarHBondContact O-N 3.04Å |
| 753 | D | 87.5 | Confident | 86.6 | Confident | 86 Ų | 86 | 96.5 Ų | 96.5 | 46% | 0.46 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 177.7 | -83.3 | -18.9 | 0 | 0 | 0 | 111.6 | E749 I750 T755 I756 Q757 | E749-D753 PolarHBondContact O-N 3.19Å; I750-D753 PolarHBondContact O-N 2.81Å; D753-T755 VanDerWaalsContact C-N 3.3Å; D753-T755 PolarHBondContact O-N 3.1Å; D753-I756 PolarHBondContact O-N 3.46Å; D753-Q757 WeakPolarHBondContact O-CB 3.29Å; D753-Q757 WeakPolarHBondContact O-CG 3.39Å; D753-Q757 PolarHBondContact O-N 2.87Å |
| 754 | S | 86.9 | Confident | 86.9 | Confident | 68 Ų | 68 | 98 Ų | 98 | 48% | 0.476 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.4 | -34.6 | 176.2 | 78.2 | 0 | 0 | 0 | 0 | 113.1 | I750 E751 K752 R758 | I750-S754 WeakPolarHBondContact O-CB 3.46Å; I750-S754 PolarHBondContact O-N 3.15Å; E751-S754 PolarHBondContact O-OG 2.87Å; K752-S754 VanDerWaalsContact C-N 3.3Å; K752-S754 PolarHBondContact O-N 3.25Å; S754-R758 PolarHBondContact O-N 3.38Å |
| 755 | T | 87.7 | Confident | 87.1 | Confident | 63 Ų | 63 | 95.8 Ų | 95.8 | 39% | 0.387 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -81.7 | -32 | 177.6 | 47.7 | 0 | 0 | 0 | 0 | 112.5 | E751 K752 D753 R758 L759 | E751-T755 PolarHBondContact O-N 3.47Å; E751-T755 VanDerWaalsContact O-N 3.13Å; E751-T755 PolarHBondContact O-OG1 3.47Å; K752-T755 WeakPolarHBondContact CA-OG1 3.39Å; K752-T755 PolarHBondContact O-N 2.93Å; K752-T755 VanDerWaalsContact O-N 3.11Å; K752-T755 PolarHBondContact O-OG1 2.89Å; D753-T755 VanDerWaalsContact C-N 3.3Å; D753-T755 PolarHBondContact O-N 3.1Å; T755-R758 PolarHBondContact O-N 2.98Å; T755-L759 WeakPolarHBondContact O-CB 3.43Å; T755-L759 VanDerWaalsContact O-CG 3.29Å; T755-L759 WeakPolarHBondContact O-CG 3.42Å; T755-L759 PolarHBondContact O-N 3Å |
| 756 | I | 87.9 | Confident | 87.2 | Confident | 78 Ų | 78 | 93.1 Ų | 93.1 | 40% | 0.4 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63 | -47.4 | 169.8 | -71 | 164.8 | 0 | 0 | 0 | 110.2 | K752 D753 R758 L759 Q760 | K752-I756 WeakPolarHBondContact O-CB 3.11Å; K752-I756 VanDerWaalsContact O-CG1 3.27Å; K752-I756 WeakPolarHBondContact O-CG1 3.33Å; K752-I756 PolarHBondContact O-N 3.04Å; D753-I756 PolarHBondContact O-N 3.46Å; I756-R758 PolarHBondContact O-N 3.35Å; I756-L759 PolarHBondContact O-N 3.34Å; I756-Q760 HydrophobicContact CG2-CG 4.37Å; I756-Q760 WeakPolarHBondContact O-CB 3.3Å; I756-Q760 VanDerWaalsContact O-CG 3.31Å; I756-Q760 WeakPolarHBondContact O-CG 3.37Å; I756-Q760 PolarHBondContact O-N 3.1Å |
| 757 | Q | 87.4 | Confident | 87.5 | Confident | 126 Ų | 126 | 96.1 Ų | 96.1 | 59% | 0.589 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -60.2 | -43.1 | 177 | -74.8 | 178.9 | 10.4 | 0 | 0 | 112 | D753 Q760 T761 | D753-Q757 WeakPolarHBondContact O-CB 3.29Å; D753-Q757 WeakPolarHBondContact O-CG 3.39Å; D753-Q757 PolarHBondContact O-N 2.87Å; Q757-Q760 WeakPolarHBondContact O-CB 3.14Å; Q757-Q760 PolarHBondContact O-N 3.26Å; Q757-T761 PolarHBondContact O-N 3.16Å; Q757-T761 PolarHBondContact O-OG1 3.16Å |
| 758 | R | 88.9 | Confident | 87.8 | Confident | 121 Ų | 121 | 96.9 Ų | 96.9 | 46% | 0.457 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.7 | -49.2 | 174.3 | -174.5 | -179.5 | 61.4 | 75.6 | 7.2 | 111.6 | S754 T755 I756 Q760 T761 E762 | S754-R758 PolarHBondContact O-N 3.38Å; T755-R758 PolarHBondContact O-N 2.98Å; I756-R758 PolarHBondContact O-N 3.35Å; R758-Q760 VanDerWaalsContact C-N 3.29Å; R758-Q760 PolarHBondContact O-N 3.1Å; R758-T761 PolarHBondContact O-N 3.36Å; R758-T761 VanDerWaalsContact O-N 3.16Å; R758-T761 PolarHBondContact O-OG1 3.05Å; R758-E762 VanDerWaalsContact CG-OE1 3.3Å; R758-E762 WeakPolarHBondContact CG-OE1 3.21Å; R758-E762 IonicContact CZ-OE1 3.6Å; R758-E762 IonicContact CZ-OE2 2.64Å; R758-E762 IonicContact NH1-OE1 3.55Å; R758-E762 PolarHBondContact NH1-OE1 2.78Å; R758-E762 IonicContact NH1-OE2 2.71Å; R758-E762 PolarHBondContact NH1-OE2 3Å; R758-E762 WeakPolarHBondContact O-CG 3.4Å; R758-E762 PolarHBondContact O-N 3.28Å |
| 759 | L | 86.3 | Confident | 87.8 | Confident | 87 Ų | 87 | 98.8 Ų | 98.8 | 46% | 0.455 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -63.8 | -33 | 178.7 | -71.3 | 169.5 | 0 | 0 | 0 | 112.7 | T755 I756 L763 | T755-L759 WeakPolarHBondContact O-CB 3.43Å; T755-L759 VanDerWaalsContact O-CG 3.29Å; T755-L759 WeakPolarHBondContact O-CG 3.42Å; T755-L759 PolarHBondContact O-N 3Å; I756-L759 PolarHBondContact O-N 3.34Å; L759-L763 WeakPolarHBondContact O-CB 3.32Å; L759-L763 VanDerWaalsContact O-CG 3.3Å; L759-L763 WeakPolarHBondContact O-CG 3.42Å; L759-L763 PolarHBondContact O-N 2.95Å |
| 760 | Q | 88.7 | Confident | 87.8 | Confident | 102 Ų | 102 | 99.4 Ų | 99.4 | 48% | 0.477 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.5 | -48.7 | 171.1 | -75.3 | 169.3 | -17 | 0 | 0 | 110.9 | I756 Q757 R758 E762 L763 E764 | I756-Q760 HydrophobicContact CG2-CG 4.37Å; I756-Q760 WeakPolarHBondContact O-CB 3.3Å; I756-Q760 VanDerWaalsContact O-CG 3.31Å; I756-Q760 WeakPolarHBondContact O-CG 3.37Å; I756-Q760 PolarHBondContact O-N 3.1Å; Q757-Q760 WeakPolarHBondContact O-CB 3.14Å; Q757-Q760 PolarHBondContact O-N 3.26Å; R758-Q760 VanDerWaalsContact C-N 3.29Å; R758-Q760 PolarHBondContact O-N 3.1Å; Q760-E762 VanDerWaalsContact C-N 3.31Å; Q760-E762 PolarHBondContact O-N 2.88Å; Q760-L763 PolarHBondContact O-N 2.76Å; Q760-E764 PolarHBondContact O-N 3.35Å |
| 761 | T | 87.4 | Confident | 88.1 | Confident | 92 Ų | 92 | 99 Ų | 99 | 56% | 0.564 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -63 | -34.7 | 177.1 | 55.8 | 0 | 0 | 0 | 0 | 113.4 | Q757 R758 H765 | Q757-T761 PolarHBondContact O-N 3.16Å; Q757-T761 PolarHBondContact O-OG1 3.16Å; R758-T761 PolarHBondContact O-N 3.36Å; R758-T761 VanDerWaalsContact O-N 3.16Å; R758-T761 PolarHBondContact O-OG1 3.05Å; T761-H765 WeakPolarHBondContact O-CB 3.23Å; T761-H765 PolarHBondContact O-N 3.36Å |
| 762 | E | 89 | Confident | 88.1 | Confident | 79 Ų | 79 | 97.9 Ų | 97.9 | 37% | 0.369 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -40.6 | 174.7 | -74.1 | 166.7 | -170.2 | 0 | 0 | 111.5 | R758 Q760 H765 I766 | R758-E762 VanDerWaalsContact CG-OE1 3.3Å; R758-E762 WeakPolarHBondContact CG-OE1 3.21Å; R758-E762 IonicContact CZ-OE1 3.6Å; R758-E762 IonicContact CZ-OE2 2.64Å; R758-E762 IonicContact NH1-OE1 3.55Å; R758-E762 PolarHBondContact NH1-OE1 2.78Å; R758-E762 IonicContact NH1-OE2 2.71Å; R758-E762 PolarHBondContact NH1-OE2 3Å; R758-E762 WeakPolarHBondContact O-CG 3.4Å; R758-E762 PolarHBondContact O-N 3.28Å; Q760-E762 VanDerWaalsContact C-N 3.31Å; Q760-E762 PolarHBondContact O-N 2.88Å; E762-H765 PolarHBondContact O-N 3.42Å; E762-I766 VanDerWaalsContact O-CG1 3.3Å; E762-I766 WeakPolarHBondContact O-CG1 3.42Å; E762-I766 PolarHBondContact O-N 3.37Å |
| 763 | L | 86.5 | Confident | 88.2 | Confident | 97 Ų | 97 | 96.8 Ų | 96.8 | 51% | 0.508 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -66.7 | -41 | 173.7 | -76.6 | 167.4 | 0 | 0 | 0 | 112.8 | L759 Q760 H765 I766 R767 | L759-L763 WeakPolarHBondContact O-CB 3.32Å; L759-L763 VanDerWaalsContact O-CG 3.3Å; L759-L763 WeakPolarHBondContact O-CG 3.42Å; L759-L763 PolarHBondContact O-N 2.95Å; Q760-L763 PolarHBondContact O-N 2.76Å; L763-H765 VanDerWaalsContact C-N 3.33Å; L763-H765 PolarHBondContact O-N 2.66Å; L763-I766 PolarHBondContact O-N 3.09Å; L763-R767 WeakPolarHBondContact O-CB 3.34Å; L763-R767 WeakPolarHBondContact O-CD 3.5Å; L763-R767 VanDerWaalsContact O-CG 3.22Å; L763-R767 WeakPolarHBondContact O-CG 3.48Å; L763-R767 PolarHBondContact O-N 2.88Å |
| 764 | E | 88.8 | Confident | 88.3 | Confident | 107 Ų | 107 | 98 Ų | 98 | 50% | 0.5 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -41.7 | 174.8 | -119.8 | 70.9 | -92.6 | 0 | 0 | 111.3 | Q760 R767 H768 | Q760-E764 PolarHBondContact O-N 3.35Å; E764-R767 PolarHBondContact O-N 2.89Å; E764-R767 IonicContact OE1-CZ 3.79Å; E764-R767 IonicContact OE1-NH1 3.69Å; E764-R767 PolarHBondContact OE1-NH1 2.83Å; E764-H768 PolarHBondContact O-N 3.29Å |
| 765 | H | 89 | Confident | 88.4 | Confident | 113 Ų | 113 | 98.5 Ų | 98.5 | 52% | 0.523 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 178.2 | -170.9 | 53.9 | 0 | 0 | 0 | 112.3 | T761 E762 L763 R767 H768 Q769 | T761-H765 WeakPolarHBondContact O-CB 3.23Å; T761-H765 PolarHBondContact O-N 3.36Å; E762-H765 PolarHBondContact O-N 3.42Å; L763-H765 VanDerWaalsContact C-N 3.33Å; L763-H765 PolarHBondContact O-N 2.66Å; H765-R767 VanDerWaalsContact C-N 3.33Å; H765-R767 PolarHBondContact O-N 2.89Å; H765-H768 PolarHBondContact O-N 3.49Å; H765-H768 VanDerWaalsContact O-N 3.16Å; H765-Q769 PolarHBondContact CD2-NE2 3.1Å; H765-Q769 PolarHBondContact NE2-NE2 2.8Å; H765-Q769 PolarHBondContact O-N 3.44Å |
| 766 | I | 88.2 | Confident | 88.5 | Confident | 104 Ų | 104 | 102.1 Ų | 102.1 | 53% | 0.533 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 176.4 | -68.4 | 166.4 | 0 | 0 | 0 | 111.1 | E762 L763 H768 Q769 L770 | E762-I766 VanDerWaalsContact O-CG1 3.3Å; E762-I766 WeakPolarHBondContact O-CG1 3.42Å; E762-I766 PolarHBondContact O-N 3.37Å; L763-I766 PolarHBondContact O-N 3.09Å; I766-H768 VanDerWaalsContact C-N 3.32Å; I766-H768 PolarHBondContact O-N 2.94Å; I766-Q769 PolarHBondContact O-N 2.74Å; I766-L770 WeakPolarHBondContact O-CB 3.47Å; I766-L770 PolarHBondContact O-N 2.93Å |
| 767 | R | 90.8 | Very high | 88.4 | Confident | 143 Ų | 143 | 104.4 Ų | 104.4 | 54% | 0.54 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -40.8 | 172.5 | -77 | 166.1 | 171.1 | 173.4 | -3.5 | 112.1 | L763 E764 H765 L770 I771 | L763-R767 WeakPolarHBondContact O-CB 3.34Å; L763-R767 WeakPolarHBondContact O-CD 3.5Å; L763-R767 VanDerWaalsContact O-CG 3.22Å; L763-R767 WeakPolarHBondContact O-CG 3.48Å; L763-R767 PolarHBondContact O-N 2.88Å; E764-R767 PolarHBondContact O-N 2.89Å; E764-R767 IonicContact OE1-CZ 3.79Å; E764-R767 IonicContact OE1-NH1 3.69Å; E764-R767 PolarHBondContact OE1-NH1 2.83Å; H765-R767 VanDerWaalsContact C-N 3.33Å; H765-R767 PolarHBondContact O-N 2.89Å; R767-L770 PolarHBondContact O-N 2.8Å; R767-I771 WeakPolarHBondContact O-CG1 3.36Å; R767-I771 PolarHBondContact O-N 3.07Å; R767-I771 VanDerWaalsContact O-N 3.09Å |
| 768 | H | 89.6 | Confident | 88.5 | Confident | 113 Ų | 113 | 105.2 Ų | 105.2 | 52% | 0.523 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.7 | -46.8 | 179 | -153.1 | 46.3 | 0 | 0 | 0 | 111.4 | E764 H765 I766 L770 I771 E772 | E764-H768 PolarHBondContact O-N 3.29Å; H765-H768 PolarHBondContact O-N 3.49Å; H765-H768 VanDerWaalsContact O-N 3.16Å; I766-H768 VanDerWaalsContact C-N 3.32Å; I766-H768 PolarHBondContact O-N 2.94Å; H768-L770 VanDerWaalsContact C-N 3.27Å; H768-L770 PolarHBondContact O-N 3.47Å; H768-I771 PolarHBondContact O-N 2.71Å; H768-I771 VanDerWaalsContact O-N 3.14Å; H768-E772 WeakPolarHBondContact O-CG 3.31Å; H768-E772 PolarHBondContact O-N 3.19Å |
| 769 | Q | 89.4 | Confident | 88.5 | Confident | 90 Ų | 90 | 102.5 Ų | 102.5 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.9 | -36.1 | 174.7 | -68.4 | -178.9 | 2.1 | 0 | 0 | 112.9 | H765 I766 S773 | H765-Q769 PolarHBondContact CD2-NE2 3.1Å; H765-Q769 PolarHBondContact NE2-NE2 2.8Å; H765-Q769 PolarHBondContact O-N 3.44Å; I766-Q769 PolarHBondContact O-N 2.74Å; Q769-S773 WeakPolarHBondContact O-CB 3.39Å; Q769-S773 PolarHBondContact O-N 2.95Å; Q769-S773 PolarHBondContact O-OG 3.23Å |
| 770 | L | 85.8 | Confident | 88.6 | Confident | 101 Ų | 101 | 103.8 Ų | 103.8 | 53% | 0.529 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.7 | -47.4 | 175.3 | -171.3 | 73.3 | 0 | 0 | 0 | 111.1 | I766 R767 H768 S773 E774 | I766-L770 WeakPolarHBondContact O-CB 3.47Å; I766-L770 PolarHBondContact O-N 2.93Å; R767-L770 PolarHBondContact O-N 2.8Å; H768-L770 VanDerWaalsContact C-N 3.27Å; H768-L770 PolarHBondContact O-N 3.47Å; L770-S773 WeakPolarHBondContact O-CB 3.46Å; L770-S773 PolarHBondContact O-N 2.87Å; L770-E774 WeakPolarHBondContact O-CG 3.36Å; L770-E774 PolarHBondContact O-N 3.38Å |
| 771 | I | 90.6 | Very high | 88.6 | Confident | 93 Ų | 93 | 101.5 Ų | 101.5 | 48% | 0.477 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 178.3 | -67.7 | 164.2 | 0 | 0 | 0 | 110.9 | R767 H768 S773 E774 T775 | R767-I771 WeakPolarHBondContact O-CG1 3.36Å; R767-I771 PolarHBondContact O-N 3.07Å; R767-I771 VanDerWaalsContact O-N 3.09Å; H768-I771 PolarHBondContact O-N 2.71Å; H768-I771 VanDerWaalsContact O-N 3.14Å; I771-S773 PolarHBondContact O-N 3.22Å; I771-E774 PolarHBondContact O-N 3.38Å; I771-T775 WeakPolarHBondContact O-CG2 3.42Å; I771-T775 PolarHBondContact O-N 2.86Å; I771-T775 PolarHBondContact O-OG1 2.96Å |
| 772 | E | 88.1 | Confident | 88.7 | Confident | 104 Ų | 104 | 100.5 Ų | 100.5 | 49% | 0.486 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -56.3 | -50 | 173.7 | -71.1 | 176.1 | 145.1 | 0 | 0 | 110.6 | H768 E774 T775 E776 | H768-E772 WeakPolarHBondContact O-CG 3.31Å; H768-E772 PolarHBondContact O-N 3.19Å; E772-E774 PolarHBondContact O-N 3.35Å; E772-T775 PolarHBondContact O-N 3.25Å; E772-T775 PolarHBondContact O-OG1 2.9Å; E772-E776 PolarHBondContact O-N 2.96Å |
| 773 | S | 87.8 | Confident | 88.7 | Confident | 65 Ų | 65 | 101.2 Ų | 101.2 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 177.9 | -57.3 | 0 | 0 | 0 | 0 | 113.3 | Q769 L770 I771 L777 | Q769-S773 WeakPolarHBondContact O-CB 3.39Å; Q769-S773 PolarHBondContact O-N 2.95Å; Q769-S773 PolarHBondContact O-OG 3.23Å; L770-S773 WeakPolarHBondContact O-CB 3.46Å; L770-S773 PolarHBondContact O-N 2.87Å; I771-S773 PolarHBondContact O-N 3.22Å; S773-L777 WeakPolarHBondContact O-CB 3.37Å; S773-L777 PolarHBondContact O-N 2.77Å |
| 774 | E | 89.8 | Confident | 88.9 | Confident | 113 Ų | 113 | 102 Ų | 102 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.1 | -40.8 | 175.6 | -75.9 | 179.5 | 164.7 | 0 | 0 | 111.6 | L770 I771 E772 L777 Q778 | L770-E774 WeakPolarHBondContact O-CG 3.36Å; L770-E774 PolarHBondContact O-N 3.38Å; I771-E774 PolarHBondContact O-N 3.38Å; E772-E774 PolarHBondContact O-N 3.35Å; E774-L777 PolarHBondContact O-N 3.32Å; E774-Q778 WeakPolarHBondContact O-CB 3.26Å; E774-Q778 PolarHBondContact O-N 3.14Å |
| 775 | T | 88.7 | Confident | 88.9 | Confident | 78 Ų | 78 | 103.5 Ų | 103.5 | 48% | 0.479 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.7 | -37.4 | 176.5 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | I771 E772 Q778 S779 | I771-T775 WeakPolarHBondContact O-CG2 3.42Å; I771-T775 PolarHBondContact O-N 2.86Å; I771-T775 PolarHBondContact O-OG1 2.96Å; E772-T775 PolarHBondContact O-N 3.25Å; E772-T775 PolarHBondContact O-OG1 2.9Å; T775-Q778 PolarHBondContact O-N 3.2Å; T775-S779 WeakPolarHBondContact O-CB 3.38Å; T775-S779 PolarHBondContact O-N 3.49Å |
| 776 | E | 89 | Confident | 88.9 | Confident | 139 Ų | 139 | 100.7 Ų | 100.7 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.8 | -45.3 | 171 | -74.1 | -148.4 | 135.2 | 0 | 0 | 111.5 | E772 Q778 S779 K780 | E772-E776 PolarHBondContact O-N 2.96Å; E776-Q778 VanDerWaalsContact C-N 3.33Å; E776-Q778 PolarHBondContact O-N 3.46Å; E776-S779 WeakPolarHBondContact O-CB 3.42Å; E776-S779 PolarHBondContact O-N 3.17Å; E776-K780 WeakPolarHBondContact O-CG 3.38Å; E776-K780 PolarHBondContact O-N 3.35Å |
| 777 | L | 86.8 | Confident | 89 | Confident | 126 Ų | 126 | 100.3 Ų | 100.3 | 66% | 0.66 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -41 | 175.4 | -87.9 | 167.1 | 0 | 0 | 0 | 112.2 | S773 E774 K780 S781 | S773-L777 WeakPolarHBondContact O-CB 3.37Å; S773-L777 PolarHBondContact O-N 2.77Å; E774-L777 PolarHBondContact O-N 3.32Å; L777-K780 PolarHBondContact O-N 3.05Å; L777-S781 VanDerWaalsContact O-CB 3.22Å; L777-S781 WeakPolarHBondContact O-CB 3.48Å; L777-S781 PolarHBondContact O-N 3.38Å |
| 778 | Q | 89.1 | Confident | 88.9 | Confident | 143 Ų | 143 | 95.9 Ų | 95.9 | 67% | 0.668 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.1 | -39.8 | 177.3 | -165.6 | 174.5 | 17 | 0 | 0 | 111.6 | E774 T775 E776 S781 S782 | E774-Q778 WeakPolarHBondContact O-CB 3.26Å; E774-Q778 PolarHBondContact O-N 3.14Å; T775-Q778 PolarHBondContact O-N 3.2Å; E776-Q778 VanDerWaalsContact C-N 3.33Å; E776-Q778 PolarHBondContact O-N 3.46Å; Q778-S781 PolarHBondContact O-N 2.97Å; Q778-S782 PolarHBondContact O-N 3.18Å |
| 779 | S | 89.2 | Confident | 88.9 | Confident | 64 Ų | 64 | 95 Ų | 95 | 45% | 0.448 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -46 | 172.5 | -178.2 | 0 | 0 | 0 | 0 | 112.1 | T775 E776 S781 S782 Q783 | T775-S779 WeakPolarHBondContact O-CB 3.38Å; T775-S779 PolarHBondContact O-N 3.49Å; E776-S779 WeakPolarHBondContact O-CB 3.42Å; E776-S779 PolarHBondContact O-N 3.17Å; S779-S781 PolarHBondContact O-N 3.42Å; S779-S782 PolarHBondContact O-N 3.49Å; S779-S782 PolarHBondContact O-OG 3.39Å; S779-Q783 WeakPolarHBondContact O-CB 3.47Å; S779-Q783 PolarHBondContact O-N 3.04Å |
| 780 | K | 87.8 | Confident | 88.9 | Confident | 113 Ų | 113 | 95.8 Ų | 95.8 | 49% | 0.491 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.9 | -35.5 | 177.2 | -64.7 | -65.3 | 163.3 | -165 | 0 | 112.2 | E776 L777 Q783 I784 | E776-K780 WeakPolarHBondContact O-CG 3.38Å; E776-K780 PolarHBondContact O-N 3.35Å; L777-K780 PolarHBondContact O-N 3.05Å; K780-Q783 PolarHBondContact O-N 3Å; K780-I784 WeakPolarHBondContact O-CB 3.47Å; K780-I784 WeakPolarHBondContact O-CD1 3.21Å; K780-I784 VanDerWaalsContact O-CG1 3.24Å; K780-I784 WeakPolarHBondContact O-CG1 3.44Å; K780-I784 PolarHBondContact O-N 3.23Å |
| 781 | S | 90.2 | Very high | 88.9 | Confident | 54 Ų | 54 | 95.9 Ų | 95.9 | 38% | 0.378 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 172.6 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | L777 Q778 S779 K785 | L777-S781 VanDerWaalsContact O-CB 3.22Å; L777-S781 WeakPolarHBondContact O-CB 3.48Å; L777-S781 PolarHBondContact O-N 3.38Å; Q778-S781 PolarHBondContact O-N 2.97Å; S779-S781 PolarHBondContact O-N 3.42Å; S781-K785 VanDerWaalsContact O-CG 3.31Å; S781-K785 WeakPolarHBondContact O-CG 3.31Å; S781-K785 PolarHBondContact O-N 3.15Å |
| 782 | S | 89 | Confident | 88.9 | Confident | 72 Ų | 72 | 96.6 Ų | 96.6 | 50% | 0.503 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | 174.8 | 71 | 0 | 0 | 0 | 0 | 112.5 | Q778 S779 K785 S786 | Q778-S782 PolarHBondContact O-N 3.18Å; S779-S782 PolarHBondContact O-N 3.49Å; S779-S782 PolarHBondContact O-OG 3.39Å; S782-K785 PolarHBondContact O-N 3.19Å; S782-S786 PolarHBondContact O-N 3.11Å; S782-S786 VanDerWaalsContact O-N 3.07Å |
| 783 | Q | 89.5 | Confident | 88.9 | Confident | 93 Ų | 93 | 94 Ų | 94 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.4 | -41.3 | 175.6 | -170.2 | 171.4 | 23.2 | 0 | 0 | 112.3 | S779 K780 K785 S786 L787 | S779-Q783 WeakPolarHBondContact O-CB 3.47Å; S779-Q783 PolarHBondContact O-N 3.04Å; K780-Q783 PolarHBondContact O-N 3Å; Q783-K785 VanDerWaalsContact C-N 3.29Å; Q783-K785 PolarHBondContact O-N 3.46Å; Q783-S786 PolarHBondContact O-N 3.37Å; Q783-L787 HydrophobicContact CG-CD1 4.26Å; Q783-L787 WeakPolarHBondContact O-CG 3.35Å; Q783-L787 PolarHBondContact O-N 3.28Å; Q783-L787 VanDerWaalsContact O-N 3.13Å |
| 784 | I | 89.1 | Confident | 88.8 | Confident | 115 Ų | 115 | 93.5 Ų | 93.5 | 59% | 0.59 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.5 | -36.3 | 174.4 | -71.3 | 164.6 | 0 | 0 | 0 | 111.1 | K780 A788 | K780-I784 WeakPolarHBondContact O-CB 3.47Å; K780-I784 WeakPolarHBondContact O-CD1 3.21Å; K780-I784 VanDerWaalsContact O-CG1 3.24Å; K780-I784 WeakPolarHBondContact O-CG1 3.44Å; K780-I784 PolarHBondContact O-N 3.23Å; I784-A788 VanDerWaalsContact O-CB 3.31Å; I784-A788 WeakPolarHBondContact O-CB 3.2Å; I784-A788 PolarHBondContact O-N 2.82Å |
| 785 | K | 89.8 | Confident | 88.8 | Confident | 138 Ų | 138 | 92.6 Ų | 92.6 | 60% | 0.6 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.8 | -40.5 | 177.3 | -72.4 | 173.4 | -172.5 | -177.1 | 0 | 112.8 | S781 S782 Q783 A788 C789 | S781-K785 VanDerWaalsContact O-CG 3.31Å; S781-K785 WeakPolarHBondContact O-CG 3.31Å; S781-K785 PolarHBondContact O-N 3.15Å; S782-K785 PolarHBondContact O-N 3.19Å; Q783-K785 VanDerWaalsContact C-N 3.29Å; Q783-K785 PolarHBondContact O-N 3.46Å; K785-A788 PolarHBondContact O-N 3.48Å; K785-C789 PolarHBondContact O-N 2.86Å; K785-C789 VanDerWaalsContact O-N 3.09Å; K785-C789 PolarHBondContact O-SG 2.88Å; K785-C789 VanDerWaalsContact O-SG 3.42Å |
| 786 | S | 89.5 | Confident | 88.9 | Confident | 54 Ų | 54 | 91.3 Ų | 91.3 | 38% | 0.378 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 175.4 | 97.1 | 0 | 0 | 0 | 0 | 110.6 | S782 Q783 A788 C789 E790 | S782-S786 PolarHBondContact O-N 3.11Å; S782-S786 VanDerWaalsContact O-N 3.07Å; Q783-S786 PolarHBondContact O-N 3.37Å; S786-A788 VanDerWaalsContact C-N 3.25Å; S786-A788 PolarHBondContact O-N 3.21Å; S786-C789 CarbonylContact O-C 3.53Å; S786-C789 WeakPolarHBondContact O-CA 3.4Å; S786-C789 WeakPolarHBondContact O-CB 3.38Å; S786-C789 PolarHBondContact O-N 2.87Å; S786-E790 VanDerWaalsContact CB-OE1 3.24Å; S786-E790 WeakPolarHBondContact CB-OE1 3.39Å; S786-E790 WeakPolarHBondContact O-CB 3.42Å; S786-E790 VanDerWaalsContact O-CG 3.3Å; S786-E790 WeakPolarHBondContact O-CG 3.36Å; S786-E790 PolarHBondContact O-N 3.1Å; S786-E790 PolarHBondContact OG-OE1 3.3Å |
| 787 | L | 88.7 | Confident | 88.9 | Confident | 95 Ų | 95 | 89.7 Ų | 89.7 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.1 | -33 | 177.8 | -69.2 | 171.5 | 0 | 0 | 0 | 112.9 | Q783 L791 | Q783-L787 HydrophobicContact CG-CD1 4.26Å; Q783-L787 WeakPolarHBondContact O-CG 3.35Å; Q783-L787 PolarHBondContact O-N 3.28Å; Q783-L787 VanDerWaalsContact O-N 3.13Å; L787-L791 WeakPolarHBondContact O-CB 3.29Å; L787-L791 PolarHBondContact O-N 2.88Å |
| 788 | A | 88.4 | Confident | 88.9 | Confident | 51 Ų | 51 | 88.8 Ų | 88.8 | 42% | 0.421 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69 | -41.3 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | I784 K785 S786 E792 | I784-A788 VanDerWaalsContact O-CB 3.31Å; I784-A788 WeakPolarHBondContact O-CB 3.2Å; I784-A788 PolarHBondContact O-N 2.82Å; K785-A788 PolarHBondContact O-N 3.48Å; S786-A788 VanDerWaalsContact C-N 3.25Å; S786-A788 PolarHBondContact O-N 3.21Å; A788-E792 PolarHBondContact O-N 2.95Å |
| 789 | C | 90.4 | Very high | 89 | Confident | 93 Ų | 93 | 84.4 Ų | 84.4 | 63% | 0.628 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.7 | -41.6 | 174.2 | -69.3 | 0 | 0 | 0 | 0 | 112.3 | K785 S786 E792 A793 | K785-C789 PolarHBondContact O-N 2.86Å; K785-C789 VanDerWaalsContact O-N 3.09Å; K785-C789 PolarHBondContact O-SG 2.88Å; K785-C789 VanDerWaalsContact O-SG 3.42Å; S786-C789 CarbonylContact O-C 3.53Å; S786-C789 WeakPolarHBondContact O-CA 3.4Å; S786-C789 WeakPolarHBondContact O-CB 3.38Å; S786-C789 PolarHBondContact O-N 2.87Å; C789-E792 PolarHBondContact O-N 3.08Å; C789-A793 WeakPolarHBondContact O-CB 3.43Å; C789-A793 PolarHBondContact O-N 2.99Å |
| 790 | E | 88.6 | Confident | 89 | Confident | 108 Ų | 108 | 86.3 Ų | 86.3 | 51% | 0.505 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -62.8 | -41.4 | 175.5 | -69.1 | 160.2 | -129.3 | 0 | 0 | 111.3 | S786 A794 | S786-E790 VanDerWaalsContact CB-OE1 3.24Å; S786-E790 WeakPolarHBondContact CB-OE1 3.39Å; S786-E790 WeakPolarHBondContact O-CB 3.42Å; S786-E790 VanDerWaalsContact O-CG 3.3Å; S786-E790 WeakPolarHBondContact O-CG 3.36Å; S786-E790 PolarHBondContact O-N 3.1Å; S786-E790 PolarHBondContact OG-OE1 3.3Å; E790-A794 WeakPolarHBondContact O-CB 3.39Å; E790-A794 PolarHBondContact O-N 3.48Å |
| 791 | L | 87.8 | Confident | 89 | Confident | 103 Ų | 103 | 84.9 Ų | 84.9 | 54% | 0.539 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.1 | -41 | 174.7 | -178.1 | 68.1 | 0 | 0 | 0 | 112.4 | L787 K795 | L787-L791 WeakPolarHBondContact O-CB 3.29Å; L787-L791 PolarHBondContact O-N 2.88Å; L791-K795 WeakPolarHBondContact O-CG 3.5Å; L791-K795 PolarHBondContact O-N 3Å; L791-K795 VanDerWaalsContact O-N 3.07Å |
| 792 | E | 88.9 | Confident | 88.9 | Confident | 108 Ų | 108 | 84.9 Ų | 84.9 | 51% | 0.505 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.9 | -35 | -180 | -140.5 | 64.7 | -146.7 | 0 | 0 | 112.4 | A788 C789 K795 A796 | A788-E792 PolarHBondContact O-N 2.95Å; C789-E792 PolarHBondContact O-N 3.08Å; E792-K795 PolarHBondContact O-N 3.25Å; E792-K795 WeakPolarHBondContact OE1-CD 3.48Å; E792-K795 IonicContact OE1-NZ 3.9Å; E792-K795 PolarHBondContact OE1-NZ 3.18Å; E792-K795 IonicContact OE2-NZ 2.92Å; E792-K795 PolarHBondContact OE2-NZ 3.38Å; E792-A796 PolarHBondContact O-N 3.4Å; E792-A796 VanDerWaalsContact O-N 3.08Å |
| 793 | A | 88.7 | Confident | 88.9 | Confident | 50 Ų | 50 | 87 Ų | 87 | 41% | 0.413 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.4 | -50 | 169.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | C789 K795 A796 D797 | C789-A793 WeakPolarHBondContact O-CB 3.43Å; C789-A793 PolarHBondContact O-N 2.99Å; A793-K795 PolarHBondContact O-N 2.83Å; A793-A796 WeakPolarHBondContact O-CA 3.49Å; A793-A796 WeakPolarHBondContact O-CB 3.45Å; A793-A796 PolarHBondContact O-N 2.96Å; A793-D797 PolarHBondContact O-N 2.85Å |
| 794 | A | 86.8 | Confident | 88.8 | Confident | 53 Ų | 53 | 88.3 Ų | 88.3 | 44% | 0.438 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.7 | -28.7 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | E790 L798 | E790-A794 WeakPolarHBondContact O-CB 3.39Å; E790-A794 PolarHBondContact O-N 3.48Å; A794-L798 WeakPolarHBondContact O-CB 3.34Å; A794-L798 PolarHBondContact O-N 2.62Å |
| 795 | K | 89.7 | Confident | 88.8 | Confident | 94 Ų | 94 | 89.4 Ų | 89.4 | 41% | 0.409 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71.1 | -39.2 | 170.5 | -73.6 | 168 | -175.7 | 167.5 | 0 | 112.7 | L791 E792 A793 L798 A799 | L791-K795 WeakPolarHBondContact O-CG 3.5Å; L791-K795 PolarHBondContact O-N 3Å; L791-K795 VanDerWaalsContact O-N 3.07Å; E792-K795 PolarHBondContact O-N 3.25Å; E792-K795 WeakPolarHBondContact OE1-CD 3.48Å; E792-K795 IonicContact OE1-NZ 3.9Å; E792-K795 PolarHBondContact OE1-NZ 3.18Å; E792-K795 IonicContact OE2-NZ 2.92Å; E792-K795 PolarHBondContact OE2-NZ 3.38Å; A793-K795 PolarHBondContact O-N 2.83Å; K795-L798 PolarHBondContact O-N 2.89Å; K795-A799 WeakPolarHBondContact O-CB 3.44Å; K795-A799 PolarHBondContact O-N 3.28Å |
| 796 | A | 89.4 | Confident | 88.8 | Confident | 51 Ų | 51 | 86.8 Ų | 86.8 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.2 | -49.3 | 176 | 0 | 0 | 0 | 0 | 0 | 110.4 | E792 A793 L798 A799 D800 | E792-A796 PolarHBondContact O-N 3.4Å; E792-A796 VanDerWaalsContact O-N 3.08Å; A793-A796 WeakPolarHBondContact O-CA 3.49Å; A793-A796 WeakPolarHBondContact O-CB 3.45Å; A793-A796 PolarHBondContact O-N 2.96Å; A796-L798 VanDerWaalsContact C-N 3.27Å; A796-L798 PolarHBondContact O-N 2.67Å; A796-A799 WeakPolarHBondContact O-CB 3.29Å; A796-A799 PolarHBondContact O-N 3.34Å; A796-D800 PolarHBondContact O-N 2.85Å |
| 797 | D | 89.4 | Confident | 88.7 | Confident | 105 Ų | 105 | 87.2 Ų | 87.2 | 56% | 0.561 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -56.2 | -41.9 | 174.6 | -63.9 | -25.1 | 0 | 0 | 0 | 111.5 | A793 C801 | A793-D797 PolarHBondContact O-N 2.85Å; D797-C801 VanDerWaalsContact O-CB 3.26Å; D797-C801 WeakPolarHBondContact O-CB 3.19Å; D797-C801 PolarHBondContact O-N 3.02Å; D797-C801 PolarHBondContact O-SG 2.82Å |
| 798 | L | 87.8 | Confident | 88.6 | Confident | 108 Ų | 108 | 88.3 Ų | 88.3 | 57% | 0.565 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.1 | -36.1 | 175.9 | -176.1 | 68 | 0 | 0 | 0 | 112.6 | A794 K795 A796 N802 | A794-L798 WeakPolarHBondContact O-CB 3.34Å; A794-L798 PolarHBondContact O-N 2.62Å; K795-L798 PolarHBondContact O-N 2.89Å; A796-L798 VanDerWaalsContact C-N 3.27Å; A796-L798 PolarHBondContact O-N 2.67Å; L798-N802 WeakPolarHBondContact O-CB 3.46Å; L798-N802 PolarHBondContact O-N 2.68Å; L798-N802 PolarHBondContact O-ND2 3.23Å |
| 799 | A | 89.3 | Confident | 88.5 | Confident | 50 Ų | 50 | 89.2 Ų | 89.2 | 41% | 0.413 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -67.3 | -47.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | K795 A796 N802 L803 | K795-A799 WeakPolarHBondContact O-CB 3.44Å; K795-A799 PolarHBondContact O-N 3.28Å; A796-A799 WeakPolarHBondContact O-CB 3.29Å; A796-A799 PolarHBondContact O-N 3.34Å; A799-N802 WeakPolarHBondContact O-CB 3.31Å; A799-N802 PolarHBondContact O-N 3.05Å; A799-N802 VanDerWaalsContact O-N 3.1Å; A799-L803 PolarHBondContact O-N 2.82Å |
| 800 | D | 89.7 | Confident | 88.5 | Confident | 104 Ų | 104 | 89.8 Ų | 89.8 | 56% | 0.556 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.1 | -40.3 | 178.2 | -75.7 | -10.8 | 0 | 0 | 0 | 111.8 | A796 N802 L803 H804 | A796-D800 PolarHBondContact O-N 2.85Å; D800-N802 VanDerWaalsContact C-N 3.26Å; D800-N802 PolarHBondContact O-N 2.94Å; D800-L803 PolarHBondContact O-N 2.68Å; D800-H804 WeakPolarHBondContact O-CB 3.35Å; D800-H804 PolarHBondContact O-N 3.33Å |
| 801 | C | 88.2 | Confident | 88.4 | Confident | 83 Ų | 83 | 86.7 Ų | 86.7 | 56% | 0.561 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -59.7 | -35.7 | 171 | -72.7 | 0 | 0 | 0 | 0 | 112.4 | D797 R805 | D797-C801 VanDerWaalsContact O-CB 3.26Å; D797-C801 WeakPolarHBondContact O-CB 3.19Å; D797-C801 PolarHBondContact O-N 3.02Å; D797-C801 PolarHBondContact O-SG 2.82Å; C801-R805 WeakPolarHBondContact O-CB 3.31Å; C801-R805 PolarHBondContact O-N 3.24Å |
| 802 | N | 88.4 | Confident | 88.5 | Confident | 54 Ų | 54 | 89.3 Ų | 89.3 | 29% | 0.289 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -72.4 | -38.8 | 175.4 | -86.6 | -70.6 | 0 | 0 | 0 | 112.7 | L798 A799 D800 R805 N806 | L798-N802 WeakPolarHBondContact O-CB 3.46Å; L798-N802 PolarHBondContact O-N 2.68Å; L798-N802 PolarHBondContact O-ND2 3.23Å; A799-N802 WeakPolarHBondContact O-CB 3.31Å; A799-N802 PolarHBondContact O-N 3.05Å; A799-N802 VanDerWaalsContact O-N 3.1Å; D800-N802 VanDerWaalsContact C-N 3.26Å; D800-N802 PolarHBondContact O-N 2.94Å; N802-R805 PolarHBondContact OD1-NH2 2.79Å; N802-N806 WeakPolarHBondContact O-CB 3.36Å; N802-N806 PolarHBondContact O-N 3.47Å; N802-N806 PolarHBondContact O-ND2 3.21Å |
| 803 | L | 88.5 | Confident | 88.5 | Confident | 117 Ų | 117 | 90.6 Ų | 90.6 | 61% | 0.613 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -63.3 | -45.8 | 173 | -70.6 | 173 | 0 | 0 | 0 | 111.2 | A799 D800 N806 S807 | A799-L803 PolarHBondContact O-N 2.82Å; D800-L803 PolarHBondContact O-N 2.68Å; L803-N806 PolarHBondContact O-N 3.39Å; L803-S807 PolarHBondContact O-N 2.82Å |
| 804 | H | 88.3 | Confident | 88.5 | Confident | 120 Ų | 120 | 96.3 Ų | 96.3 | 56% | 0.556 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -61.2 | -50.4 | 177.1 | -163.5 | 75 | 0 | 0 | 0 | 111.3 | D800 N806 S807 E808 | D800-H804 WeakPolarHBondContact O-CB 3.35Å; D800-H804 PolarHBondContact O-N 3.33Å; H804-N806 VanDerWaalsContact C-N 3.25Å; H804-N806 PolarHBondContact O-N 3.02Å; H804-S807 PolarHBondContact O-N 2.95Å; H804-S807 PolarHBondContact O-OG 2.86Å; H804-E808 PolarHBondContact O-N 2.92Å |
| 805 | R | 88.6 | Confident | 88.5 | Confident | 138 Ų | 138 | 98.5 Ų | 98.5 | 52% | 0.521 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -57.2 | -35.3 | 174.8 | -176.4 | 176.5 | 68.4 | 128 | -2.2 | 112.9 | C801 N802 N809 | C801-R805 WeakPolarHBondContact O-CB 3.31Å; C801-R805 PolarHBondContact O-N 3.24Å; N802-R805 PolarHBondContact OD1-NH2 2.79Å; R805-N809 WeakPolarHBondContact O-CB 3.38Å; R805-N809 VanDerWaalsContact O-CG 3.31Å; R805-N809 PolarHBondContact O-N 3.37Å; R805-N809 PolarHBondContact O-ND2 3.23Å |
| 806 | N | 88.8 | Confident | 88.4 | Confident | 84 Ų | 84 | 99.3 Ų | 99.3 | 45% | 0.449 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -71.8 | -38.6 | 175.9 | -74.1 | -20.1 | 0 | 0 | 0 | 112 | N802 L803 H804 N809 L810 | N802-N806 WeakPolarHBondContact O-CB 3.36Å; N802-N806 PolarHBondContact O-N 3.47Å; N802-N806 PolarHBondContact O-ND2 3.21Å; L803-N806 PolarHBondContact O-N 3.39Å; H804-N806 VanDerWaalsContact C-N 3.25Å; H804-N806 PolarHBondContact O-N 3.02Å; N806-N809 PolarHBondContact O-N 3.42Å; N806-L810 WeakPolarHBondContact O-CG 3.46Å; N806-L810 PolarHBondContact O-N 2.78Å; N806-L810 VanDerWaalsContact O-N 3.1Å |
| 807 | S | 89.3 | Confident | 88.3 | Confident | 63 Ų | 63 | 102.2 Ų | 102.2 | 44% | 0.441 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -66.8 | -40.9 | 173.5 | 73.3 | 0 | 0 | 0 | 0 | 112.4 | L803 H804 L810 A811 | L803-S807 PolarHBondContact O-N 2.82Å; H804-S807 PolarHBondContact O-N 2.95Å; H804-S807 PolarHBondContact O-OG 2.86Å; S807-L810 CarbonylContact O-C 3.52Å; S807-L810 PolarHBondContact O-N 2.81Å; S807-A811 PolarHBondContact O-N 3.44Å |
| 808 | E | 85.7 | Confident | 88.3 | Confident | 117 Ų | 117 | 101.6 Ų | 101.6 | 55% | 0.547 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -43.2 | 172.2 | -76.7 | -159.7 | 121 | 0 | 0 | 112 | H804 L810 A811 R812 | H804-E808 PolarHBondContact O-N 2.92Å; E808-L810 VanDerWaalsContact C-N 3.28Å; E808-L810 PolarHBondContact O-N 2.94Å; E808-A811 PolarHBondContact O-N 2.84Å; E808-A811 VanDerWaalsContact O-N 3.15Å; E808-R812 WeakPolarHBondContact O-CB 3.33Å; E808-R812 PolarHBondContact O-N 3.39Å |
| 809 | N | 86.7 | Confident | 88.2 | Confident | 71 Ų | 71 | 99 Ų | 99 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.9 | -34.1 | 176.3 | -80.7 | -48.7 | 0 | 0 | 0 | 112.4 | R805 N806 K813 | R805-N809 WeakPolarHBondContact O-CB 3.38Å; R805-N809 VanDerWaalsContact O-CG 3.31Å; R805-N809 PolarHBondContact O-N 3.37Å; R805-N809 PolarHBondContact O-ND2 3.23Å; N806-N809 PolarHBondContact O-N 3.42Å; N809-K813 WeakPolarHBondContact O-CB 3.41Å; N809-K813 WeakPolarHBondContact O-CG 3.32Å; N809-K813 PolarHBondContact O-N 2.89Å |
| 810 | L | 89.4 | Confident | 88.2 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 55% | 0.55 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -78.2 | -23.1 | 174.3 | -69.5 | 171.6 | 0 | 0 | 0 | 113.4 | N806 S807 E808 R814 | N806-L810 WeakPolarHBondContact O-CG 3.46Å; N806-L810 PolarHBondContact O-N 2.78Å; N806-L810 VanDerWaalsContact O-N 3.1Å; S807-L810 CarbonylContact O-C 3.52Å; S807-L810 PolarHBondContact O-N 2.81Å; E808-L810 VanDerWaalsContact C-N 3.28Å; E808-L810 PolarHBondContact O-N 2.94Å; L810-R814 PolarHBondContact O-NE 2.76Å |
| 811 | A | 87.9 | Confident | 88.2 | Confident | 43 Ų | 43 | 98.4 Ų | 98.4 | 36% | 0.355 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -75.8 | -49.5 | 169.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | S807 E808 K813 R814 I815 | S807-A811 PolarHBondContact O-N 3.44Å; E808-A811 PolarHBondContact O-N 2.84Å; E808-A811 VanDerWaalsContact O-N 3.15Å; A811-K813 PolarHBondContact O-N 2.77Å; A811-R814 PolarHBondContact O-N 3Å; A811-I815 WeakPolarHBondContact O-CG1 3.44Å; A811-I815 PolarHBondContact O-N 2.95Å |
| 812 | R | 88.6 | Confident | 88.2 | Confident | 158 Ų | 158 | 99.3 Ų | 99.3 | 60% | 0.596 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -53.6 | -48.7 | 174.7 | 173.4 | 174.1 | -73.2 | 176.8 | 0.2 | 111.5 | E808 R814 I815 E816 | E808-R812 WeakPolarHBondContact O-CB 3.33Å; E808-R812 PolarHBondContact O-N 3.39Å; R812-R814 VanDerWaalsContact C-N 3.28Å; R812-R814 PolarHBondContact O-N 3.43Å; R812-I815 CarbonylContact O-C 3.53Å; R812-I815 PolarHBondContact O-N 3.44Å; R812-I815 VanDerWaalsContact O-N 3.15Å; R812-E816 VanDerWaalsContact CD-OE1 3.31Å; R812-E816 WeakPolarHBondContact CD-OE1 3.44Å; R812-E816 HydrophobicContact CG-CG 4.11Å; R812-E816 WeakPolarHBondContact CG-OE1 3.26Å; R812-E816 WeakPolarHBondContact O-CB 3.44Å; R812-E816 VanDerWaalsContact O-CG 3.31Å; R812-E816 WeakPolarHBondContact O-CG 3.36Å; R812-E816 PolarHBondContact O-N 2.95Å |
| 813 | K | 89.6 | Confident | 88.3 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 58% | 0.583 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.7 | -33.6 | 177.6 | -79.5 | -177.8 | 174.9 | -172 | 0 | 114 | N809 A811 L817 | N809-K813 WeakPolarHBondContact O-CB 3.41Å; N809-K813 WeakPolarHBondContact O-CG 3.32Å; N809-K813 PolarHBondContact O-N 2.89Å; A811-K813 PolarHBondContact O-N 2.77Å; K813-L817 WeakPolarHBondContact O-CG 3.41Å; K813-L817 PolarHBondContact O-N 3.43Å |
| 814 | R | 89 | Confident | 88.2 | Confident | 171 Ų | 171 | 106 Ų | 106 | 65% | 0.645 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -71.5 | -40.9 | 174.4 | -83.2 | -179.8 | -80 | -167.8 | -0.6 | 111.7 | L810 A811 R812 E816 L817 E818 | L810-R814 PolarHBondContact O-NE 2.76Å; A811-R814 PolarHBondContact O-N 3Å; R812-R814 VanDerWaalsContact C-N 3.28Å; R812-R814 PolarHBondContact O-N 3.43Å; R814-E816 VanDerWaalsContact C-N 3.34Å; R814-L817 PolarHBondContact O-N 3.31Å; R814-E818 WeakPolarHBondContact O-CB 3.45Å; R814-E818 PolarHBondContact O-N 3Å |
| 815 | I | 87 | Confident | 88.2 | Confident | 99 Ų | 99 | 105.2 Ų | 105.2 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.2 | -36.2 | 174 | -63.6 | 165.3 | 0 | 0 | 0 | 111.1 | A811 R812 L817 E818 V819 | A811-I815 WeakPolarHBondContact O-CG1 3.44Å; A811-I815 PolarHBondContact O-N 2.95Å; R812-I815 CarbonylContact O-C 3.53Å; R812-I815 PolarHBondContact O-N 3.44Å; R812-I815 VanDerWaalsContact O-N 3.15Å; I815-L817 VanDerWaalsContact C-N 3.33Å; I815-L817 PolarHBondContact O-N 3.32Å; I815-E818 PolarHBondContact O-N 3.36Å; I815-V819 HydrophobicContact CG2-CG2 4.17Å; I815-V819 WeakPolarHBondContact O-CB 3.46Å; I815-V819 WeakPolarHBondContact O-CG2 3.25Å; I815-V819 PolarHBondContact O-N 3.46Å |
| 816 | E | 86.8 | Confident | 88.1 | Confident | 111 Ų | 111 | 105.6 Ų | 105.6 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -35.3 | 175.8 | -76.6 | 167.4 | 171.5 | 0 | 0 | 112.4 | R812 R814 A820 | R812-E816 VanDerWaalsContact CD-OE1 3.31Å; R812-E816 WeakPolarHBondContact CD-OE1 3.44Å; R812-E816 HydrophobicContact CG-CG 4.11Å; R812-E816 WeakPolarHBondContact CG-OE1 3.26Å; R812-E816 WeakPolarHBondContact O-CB 3.44Å; R812-E816 VanDerWaalsContact O-CG 3.31Å; R812-E816 WeakPolarHBondContact O-CG 3.36Å; R812-E816 PolarHBondContact O-N 2.95Å; R814-E816 VanDerWaalsContact C-N 3.34Å; E816-A820 PolarHBondContact O-N 3.16Å |
| 817 | L | 88.5 | Confident | 88.1 | Confident | 111 Ų | 111 | 107.6 Ų | 107.6 | 58% | 0.581 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.8 | -50.8 | 171.4 | -70 | 168.7 | 0 | 0 | 0 | 111.7 | K813 R814 I815 V819 A820 D821 | K813-L817 WeakPolarHBondContact O-CG 3.41Å; K813-L817 PolarHBondContact O-N 3.43Å; R814-L817 PolarHBondContact O-N 3.31Å; I815-L817 VanDerWaalsContact C-N 3.33Å; I815-L817 PolarHBondContact O-N 3.32Å; L817-V819 PolarHBondContact O-N 2.76Å; L817-V819 VanDerWaalsContact O-N 3.16Å; L817-A820 CarbonylContact O-C 3.6Å; L817-A820 WeakPolarHBondContact O-CA 3.24Å; L817-A820 VanDerWaalsContact O-CB 3.31Å; L817-A820 WeakPolarHBondContact O-CB 3.45Å; L817-A820 PolarHBondContact O-N 2.91Å; L817-D821 VanDerWaalsContact O-CG 3.25Å; L817-D821 PolarHBondContact O-N 2.87Å |
| 818 | E | 88 | Confident | 88.1 | Confident | 93 Ų | 93 | 107.4 Ų | 107.4 | 44% | 0.435 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.5 | -33.1 | 178.4 | -166.4 | 168.6 | -146.2 | 0 | 0 | 111.4 | K300 R814 I815 L822 | K300-E818 IonicContact NZ-OE1 2.85Å; R814-E818 WeakPolarHBondContact O-CB 3.45Å; R814-E818 PolarHBondContact O-N 3Å; I815-E818 PolarHBondContact O-N 3.36Å; E818-L822 HydrophobicContact CG-CD1 4.37Å; E818-L822 VanDerWaalsContact O-CB 3.27Å; E818-L822 WeakPolarHBondContact O-CB 3.34Å; E818-L822 WeakPolarHBondContact O-CD1 3.33Å; E818-L822 WeakPolarHBondContact O-CG 3.3Å; E818-L822 PolarHBondContact O-N 3.22Å |
| 819 | V | 86.3 | Confident | 88.1 | Confident | 54 Ų | 54 | 107.2 Ų | 107.2 | 33% | 0.327 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -75.9 | -23.5 | 172.2 | 168.3 | 0 | 0 | 0 | 0 | 113.4 | I815 L817 R823 | I815-V819 HydrophobicContact CG2-CG2 4.17Å; I815-V819 WeakPolarHBondContact O-CB 3.46Å; I815-V819 WeakPolarHBondContact O-CG2 3.25Å; I815-V819 PolarHBondContact O-N 3.46Å; L817-V819 PolarHBondContact O-N 2.76Å; L817-V819 VanDerWaalsContact O-N 3.16Å; V819-R823 VanDerWaalsContact O-CD 3.23Å; V819-R823 WeakPolarHBondContact O-CD 3.35Å; V819-R823 WeakPolarHBondContact O-CG 3.42Å; V819-R823 PolarHBondContact O-N 2.71Å |
| 820 | A | 88.9 | Confident | 88.2 | Confident | 43 Ų | 43 | 106.4 Ų | 106.4 | 36% | 0.355 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -74 | -50.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 110.4 | E816 L817 L822 R823 E824 | E816-A820 PolarHBondContact O-N 3.16Å; L817-A820 CarbonylContact O-C 3.6Å; L817-A820 WeakPolarHBondContact O-CA 3.24Å; L817-A820 VanDerWaalsContact O-CB 3.31Å; L817-A820 WeakPolarHBondContact O-CB 3.45Å; L817-A820 PolarHBondContact O-N 2.91Å; A820-L822 VanDerWaalsContact C-N 3.31Å; A820-L822 PolarHBondContact O-N 3.5Å; A820-R823 WeakPolarHBondContact O-CA 3.49Å; A820-R823 WeakPolarHBondContact O-CB 3.47Å; A820-R823 PolarHBondContact O-N 3.18Å; A820-E824 PolarHBondContact O-N 3.4Å |
| 821 | D | 89.4 | Confident | 88.1 | Confident | 97 Ų | 97 | 105.7 Ų | 105.7 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 178.8 | -53 | -18.4 | 0 | 0 | 0 | 111.1 | L817 R823 E824 M825 | L817-D821 VanDerWaalsContact O-CG 3.25Å; L817-D821 PolarHBondContact O-N 2.87Å; D821-R823 VanDerWaalsContact C-N 3.3Å; D821-R823 PolarHBondContact O-N 3.34Å; D821-E824 PolarHBondContact O-N 3.46Å; D821-M825 WeakPolarHBondContact O-CB 3.34Å; D821-M825 PolarHBondContact O-N 2.95Å |
| 822 | L | 88.7 | Confident | 88.2 | Confident | 103 Ų | 103 | 108.5 Ų | 108.5 | 54% | 0.539 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.6 | -23.7 | 175.5 | -73.2 | 170.5 | 0 | 0 | 0 | 113.8 | E818 A820 K826 | E818-L822 HydrophobicContact CG-CD1 4.37Å; E818-L822 VanDerWaalsContact O-CB 3.27Å; E818-L822 WeakPolarHBondContact O-CB 3.34Å; E818-L822 WeakPolarHBondContact O-CD1 3.33Å; E818-L822 WeakPolarHBondContact O-CG 3.3Å; E818-L822 PolarHBondContact O-N 3.22Å; A820-L822 VanDerWaalsContact C-N 3.31Å; A820-L822 PolarHBondContact O-N 3.5Å; L822-K826 VanDerWaalsContact O-CB 3.29Å; L822-K826 WeakPolarHBondContact O-CB 3.37Å; L822-K826 PolarHBondContact O-N 3.41Å |
| 823 | R | 89.9 | Confident | 88.2 | Confident | 166 Ų | 166 | 105.2 Ų | 105.2 | 63% | 0.626 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -78.2 | -41 | 172.8 | -77.7 | 166.6 | -176.3 | 164.9 | 3.1 | 111.6 | V819 A820 D821 K826 M827 | V819-R823 VanDerWaalsContact O-CD 3.23Å; V819-R823 WeakPolarHBondContact O-CD 3.35Å; V819-R823 WeakPolarHBondContact O-CG 3.42Å; V819-R823 PolarHBondContact O-N 2.71Å; A820-R823 WeakPolarHBondContact O-CA 3.49Å; A820-R823 WeakPolarHBondContact O-CB 3.47Å; A820-R823 PolarHBondContact O-N 3.18Å; D821-R823 VanDerWaalsContact C-N 3.3Å; D821-R823 PolarHBondContact O-N 3.34Å; R823-K826 WeakPolarHBondContact O-CB 3.5Å; R823-K826 PolarHBondContact O-N 2.8Å; R823-M827 WeakPolarHBondContact O-CG 3.48Å; R823-M827 PolarHBondContact O-N 2.84Å |
| 824 | E | 87.5 | Confident | 88.1 | Confident | 144 Ų | 144 | 103.6 Ų | 103.6 | 67% | 0.673 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -65.9 | -44.8 | 176.3 | -170.5 | 159 | -148.1 | 0 | 0 | 110.7 | A820 D821 K826 M827 A828 | A820-E824 PolarHBondContact O-N 3.4Å; D821-E824 PolarHBondContact O-N 3.46Å; E824-K826 VanDerWaalsContact C-N 3.32Å; E824-K826 PolarHBondContact O-N 3.31Å; E824-M827 WeakPolarHBondContact O-CB 3.32Å; E824-M827 PolarHBondContact O-N 3.31Å; E824-M827 VanDerWaalsContact O-N 3.08Å; E824-A828 PolarHBondContact O-N 3Å |
| 825 | M | 87.6 | Confident | 88.1 | Confident | 104 Ų | 104 | 103 Ų | 103 | 51% | 0.512 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -59.4 | -39.9 | 170.4 | -173.7 | -178.5 | -68.6 | 0 | 0 | 112.3 | D821 A828 F829 | D821-M825 WeakPolarHBondContact O-CB 3.34Å; D821-M825 PolarHBondContact O-N 2.95Å; M825-A828 PolarHBondContact O-N 3.49Å; M825-F829 HydrophobicContact CG-CD2 3.9Å; M825-F829 HydrophobicContact CG-CE2 3.49Å; M825-F829 VanDerWaalsContact CG-CE2 3.49Å; M825-F829 HydrophobicContact CG-CZ 4.24Å; M825-F829 VanDerWaalsContact O-CD2 3.27Å; M825-F829 WeakPolarHBondContact O-CD2 3.25Å; M825-F829 PolarHBondContact O-N 3.08Å; M825-F829 HydrophobicContact SD-CE2 3.88Å |
| 826 | K | 86.8 | Confident | 88.1 | Confident | 147 Ų | 147 | 103.3 Ų | 103.3 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -62.4 | -42.4 | 172.8 | -176.6 | -172.9 | 173.4 | -170 | 0 | 111.6 | L822 R823 E824 F829 T830 | L822-K826 VanDerWaalsContact O-CB 3.29Å; L822-K826 WeakPolarHBondContact O-CB 3.37Å; L822-K826 PolarHBondContact O-N 3.41Å; R823-K826 WeakPolarHBondContact O-CB 3.5Å; R823-K826 PolarHBondContact O-N 2.8Å; E824-K826 VanDerWaalsContact C-N 3.32Å; E824-K826 PolarHBondContact O-N 3.31Å; K826-F829 PolarHBondContact O-N 3.33Å; K826-T830 WeakPolarHBondContact O-CB 3.25Å; K826-T830 PolarHBondContact O-N 3.43Å; K826-T830 PolarHBondContact O-OG1 3.47Å |
| 827 | M | 89.5 | Confident | 88.2 | Confident | 125 Ų | 125 | 103.8 Ų | 103.8 | 62% | 0.616 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.4 | -46.3 | 177.7 | -75.8 | 177.8 | 57.4 | 0 | 0 | 111 | R823 E824 F829 T830 E831 | R823-M827 WeakPolarHBondContact O-CG 3.48Å; R823-M827 PolarHBondContact O-N 2.84Å; E824-M827 WeakPolarHBondContact O-CB 3.32Å; E824-M827 PolarHBondContact O-N 3.31Å; E824-M827 VanDerWaalsContact O-N 3.08Å; M827-F829 PolarHBondContact O-N 2.78Å; M827-T830 WeakPolarHBondContact O-CB 3.4Å; M827-T830 PolarHBondContact O-N 2.84Å; M827-E831 PolarHBondContact O-N 2.86Å |
| 828 | A | 88.1 | Confident | 88.2 | Confident | 59 Ų | 59 | 103.2 Ų | 103.2 | 49% | 0.488 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -57.6 | -44.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | E824 M825 T830 Q832 | E824-A828 PolarHBondContact O-N 3Å; M825-A828 PolarHBondContact O-N 3.49Å; A828-T830 VanDerWaalsContact C-N 3.35Å; A828-Q832 WeakPolarHBondContact O-CB 3.36Å; A828-Q832 PolarHBondContact O-N 3.33Å |
| 829 | F | 86.5 | Confident | 88.2 | Confident | 114 Ų | 114 | 104 Ų | 104 | 50% | 0.5 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -67.9 | -31.8 | 173.8 | -70.9 | -45.6 | 0 | 0 | 0 | 113.3 | M825 K826 M827 Q832 I833 | M825-F829 HydrophobicContact CG-CD2 3.9Å; M825-F829 HydrophobicContact CG-CE2 3.49Å; M825-F829 VanDerWaalsContact CG-CE2 3.49Å; M825-F829 HydrophobicContact CG-CZ 4.24Å; M825-F829 VanDerWaalsContact O-CD2 3.27Å; M825-F829 WeakPolarHBondContact O-CD2 3.25Å; M825-F829 PolarHBondContact O-N 3.08Å; M825-F829 HydrophobicContact SD-CE2 3.88Å; K826-F829 PolarHBondContact O-N 3.33Å; M827-F829 PolarHBondContact O-N 2.78Å; F829-Q832 PolarHBondContact O-N 2.83Å; F829-I833 WeakPolarHBondContact O-CD1 3.3Å; F829-I833 VanDerWaalsContact O-CG1 3.26Å; F829-I833 WeakPolarHBondContact O-CG1 3.4Å; F829-I833 PolarHBondContact O-N 3.4Å |
| 830 | T | 88.4 | Confident | 88.2 | Confident | 54 Ų | 54 | 105.4 Ų | 105.4 | 33% | 0.331 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -67.9 | -46.8 | 176.5 | -52 | 0 | 0 | 0 | 0 | 110.2 | K826 M827 A828 Q832 I833 E834 | K826-T830 WeakPolarHBondContact O-CB 3.25Å; K826-T830 PolarHBondContact O-N 3.43Å; K826-T830 PolarHBondContact O-OG1 3.47Å; M827-T830 WeakPolarHBondContact O-CB 3.4Å; M827-T830 PolarHBondContact O-N 2.84Å; A828-T830 VanDerWaalsContact C-N 3.35Å; T830-Q832 VanDerWaalsContact C-N 3.3Å; T830-Q832 PolarHBondContact O-N 2.86Å; T830-I833 PolarHBondContact O-N 2.84Å; T830-E834 WeakPolarHBondContact O-CG 3.26Å; T830-E834 PolarHBondContact O-N 3.46Å |
| 831 | E | 88.3 | Confident | 88.3 | Confident | 90 Ų | 90 | 109.9 Ų | 109.9 | 42% | 0.421 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.1 | -38.5 | 171.9 | -75.3 | -168.4 | -144.2 | 0 | 0 | 112.5 | M827 I833 E834 R835 | M827-E831 PolarHBondContact O-N 2.86Å; E831-I833 VanDerWaalsContact C-N 3.33Å; E831-E834 PolarHBondContact O-N 2.68Å; E831-R835 WeakPolarHBondContact O-CB 3.36Å; E831-R835 WeakPolarHBondContact O-CG 3.11Å; E831-R835 PolarHBondContact O-N 2.84Å; E831-R835 IonicContact OE2-CZ 2.6Å; E831-R835 IonicContact OE2-NE 3.14Å; E831-R835 IonicContact OE2-NH2 3.59Å; E831-R835 PolarHBondContact OE2-NH2 3.46Å |
| 832 | Q | 90 | Very high | 88.2 | Confident | 101 Ų | 101 | 111.6 Ų | 111.6 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -65.4 | -37.8 | 176.9 | -168.7 | 175.4 | 21.7 | 0 | 0 | 111.9 | A828 F829 T830 Q836 | A828-Q832 WeakPolarHBondContact O-CB 3.36Å; A828-Q832 PolarHBondContact O-N 3.33Å; F829-Q832 PolarHBondContact O-N 2.83Å; T830-Q832 VanDerWaalsContact C-N 3.3Å; T830-Q832 PolarHBondContact O-N 2.86Å; Q832-Q836 WeakPolarHBondContact O-CB 3.23Å; Q832-Q836 VanDerWaalsContact O-CG 3.3Å; Q832-Q836 WeakPolarHBondContact O-CG 3.3Å; Q832-Q836 PolarHBondContact O-N 3.5Å |
| 833 | I | 86.7 | Confident | 88.1 | Confident | 90 Ų | 90 | 110.4 Ų | 110.4 | 46% | 0.462 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.7 | -50.5 | 173.1 | -70.8 | 163.6 | 0 | 0 | 0 | 110.1 | F829 T830 E831 R835 Q836 E837 | F829-I833 WeakPolarHBondContact O-CD1 3.3Å; F829-I833 VanDerWaalsContact O-CG1 3.26Å; F829-I833 WeakPolarHBondContact O-CG1 3.4Å; F829-I833 PolarHBondContact O-N 3.4Å; T830-I833 PolarHBondContact O-N 2.84Å; E831-I833 VanDerWaalsContact C-N 3.33Å; I833-R835 VanDerWaalsContact C-N 3.3Å; I833-R835 PolarHBondContact O-N 3.02Å; I833-Q836 CarbonylContact O-C 3.59Å; I833-Q836 WeakPolarHBondContact O-CA 3.39Å; I833-Q836 WeakPolarHBondContact O-CB 3.47Å; I833-Q836 PolarHBondContact O-N 3.25Å; I833-E837 HydrophobicContact CG2-CG 4.18Å; I833-E837 WeakPolarHBondContact O-CG 3.2Å; I833-E837 PolarHBondContact O-N 2.93Å |
| 834 | E | 88.3 | Confident | 88.1 | Confident | 99 Ų | 99 | 108.1 Ų | 108.1 | 46% | 0.463 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.1 | -41.6 | 177.8 | -72.1 | 178.2 | -168.3 | 0 | 0 | 112.2 | T830 E831 Q836 E837 Q838 | T830-E834 WeakPolarHBondContact O-CG 3.26Å; T830-E834 PolarHBondContact O-N 3.46Å; E831-E834 PolarHBondContact O-N 2.68Å; E834-Q836 VanDerWaalsContact C-N 3.33Å; E834-Q836 PolarHBondContact O-N 2.86Å; E834-E837 PolarHBondContact O-N 3.14Å; E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 VanDerWaalsContact O-CG 3.24Å; E834-Q838 WeakPolarHBondContact O-CG 3.4Å; E834-Q838 PolarHBondContact O-N 2.9Å |
| 835 | R | 88.1 | Confident | 88.2 | Confident | 160 Ų | 160 | 104.4 Ų | 104.4 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.5 | -35.2 | 174.7 | -69.3 | 169.5 | -161 | -158.3 | 9.9 | 112.3 | E831 I833 F839 | E831-R835 WeakPolarHBondContact O-CB 3.36Å; E831-R835 WeakPolarHBondContact O-CG 3.11Å; E831-R835 PolarHBondContact O-N 2.84Å; E831-R835 IonicContact OE2-CZ 2.6Å; E831-R835 IonicContact OE2-NE 3.14Å; E831-R835 IonicContact OE2-NH2 3.59Å; E831-R835 PolarHBondContact OE2-NH2 3.46Å; I833-R835 VanDerWaalsContact C-N 3.3Å; I833-R835 PolarHBondContact O-N 3.02Å; R835-F839 WeakPolarHBondContact O-CB 3.45Å; R835-F839 PolarHBondContact O-N 3.5Å |
| 836 | Q | 87.7 | Confident | 88.2 | Confident | 105 Ų | 105 | 104.5 Ų | 104.5 | 49% | 0.491 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73.5 | -40.6 | 174.8 | -75.6 | 177.5 | 8 | 0 | 0 | 112.1 | Q832 I833 E834 F839 I840 | Q832-Q836 WeakPolarHBondContact O-CB 3.23Å; Q832-Q836 VanDerWaalsContact O-CG 3.3Å; Q832-Q836 WeakPolarHBondContact O-CG 3.3Å; Q832-Q836 PolarHBondContact O-N 3.5Å; I833-Q836 CarbonylContact O-C 3.59Å; I833-Q836 WeakPolarHBondContact O-CA 3.39Å; I833-Q836 WeakPolarHBondContact O-CB 3.47Å; I833-Q836 PolarHBondContact O-N 3.25Å; E834-Q836 VanDerWaalsContact C-N 3.33Å; E834-Q836 PolarHBondContact O-N 2.86Å; Q836-F839 WeakPolarHBondContact O-CB 3.3Å; Q836-F839 PolarHBondContact O-N 2.64Å; Q836-F839 VanDerWaalsContact O-N 3.1Å; Q836-I840 VanDerWaalsContact O-CG1 3.31Å; Q836-I840 WeakPolarHBondContact O-CG1 3.4Å; Q836-I840 PolarHBondContact O-N 3.07Å |
| 837 | E | 88.7 | Confident | 88.2 | Confident | 120 Ų | 120 | 101.7 Ų | 101.7 | 56% | 0.561 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63 | -46.3 | 175.8 | -71.2 | -179.1 | 154.4 | 0 | 0 | 111.1 | I833 E834 F839 I840 E841 | I833-E837 HydrophobicContact CG2-CG 4.18Å; I833-E837 WeakPolarHBondContact O-CG 3.2Å; I833-E837 PolarHBondContact O-N 2.93Å; E834-E837 PolarHBondContact O-N 3.14Å; E837-F839 PolarHBondContact O-N 2.98Å; E837-I840 PolarHBondContact O-N 3.42Å; E837-E841 WeakPolarHBondContact O-CB 3.25Å; E837-E841 PolarHBondContact O-N 3.31Å |
| 838 | Q | 89.3 | Confident | 88.2 | Confident | 100 Ų | 100 | 97.9 Ų | 97.9 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.3 | -23.2 | 172.6 | -70.5 | 173 | 24.3 | 0 | 0 | 113.6 | E834 R842 | E834-Q838 WeakPolarHBondContact O-CB 3.41Å; E834-Q838 VanDerWaalsContact O-CG 3.24Å; E834-Q838 WeakPolarHBondContact O-CG 3.4Å; E834-Q838 PolarHBondContact O-N 2.9Å; Q838-R842 PolarHBondContact O-N 2.94Å; Q838-R842 PolarHBondContact O-NE 2.82Å; Q838-R842 PolarHBondContact O-NH2 3.25Å |
| 839 | F | 87.1 | Confident | 88.3 | Confident | 108 Ų | 108 | 99.4 Ų | 99.4 | 47% | 0.474 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -82.7 | -40.3 | 174.2 | -178.4 | -113.9 | 0 | 0 | 0 | 111.3 | R835 Q836 E837 R842 L843 | R835-F839 WeakPolarHBondContact O-CB 3.45Å; R835-F839 PolarHBondContact O-N 3.5Å; Q836-F839 WeakPolarHBondContact O-CB 3.3Å; Q836-F839 PolarHBondContact O-N 2.64Å; Q836-F839 VanDerWaalsContact O-N 3.1Å; E837-F839 PolarHBondContact O-N 2.98Å; F839-R842 PolarHBondContact O-N 3.45Å; F839-L843 HydrophobicContact CD1-CD1 3.99Å; F839-L843 HydrophobicContact CE1-CD1 3.52Å; F839-L843 HydrophobicContact CE1-CG 4.28Å; F839-L843 HydrophobicContact CE2-CD1 4.47Å; F839-L843 HydrophobicContact CE2-CG 4.39Å; F839-L843 HydrophobicContact CZ-CD1 3.79Å; F839-L843 HydrophobicContact CZ-CD2 4.39Å; F839-L843 HydrophobicContact CZ-CG 4.16Å; F839-L843 WeakPolarHBondContact O-CG 3.29Å; F839-L843 PolarHBondContact O-N 3.42Å |
| 840 | I | 87.4 | Confident | 88.2 | Confident | 84 Ų | 84 | 99.4 Ų | 99.4 | 43% | 0.431 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -63.2 | -42.1 | 173.3 | -69.9 | 164.1 | 0 | 0 | 0 | 110.8 | Q836 E837 L843 Q844 | Q836-I840 VanDerWaalsContact O-CG1 3.31Å; Q836-I840 WeakPolarHBondContact O-CG1 3.4Å; Q836-I840 PolarHBondContact O-N 3.07Å; E837-I840 PolarHBondContact O-N 3.42Å; I840-L843 PolarHBondContact O-N 3.38Å; I840-Q844 HydrophobicContact CG2-CG 4.42Å; I840-Q844 VanDerWaalsContact CG2-NE2 3.3Å; I840-Q844 WeakPolarHBondContact O-CB 3.48Å; I840-Q844 VanDerWaalsContact O-CG 3.29Å; I840-Q844 WeakPolarHBondContact O-CG 3.44Å; I840-Q844 PolarHBondContact O-N 2.82Å |
| 841 | E | 89.6 | Confident | 88.2 | Confident | 137 Ų | 137 | 104.1 Ų | 104.1 | 64% | 0.64 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -40.9 | 177 | -172.4 | 174.6 | -139.3 | 0 | 0 | 111.8 | E837 Q844 S845 | E837-E841 WeakPolarHBondContact O-CB 3.25Å; E837-E841 PolarHBondContact O-N 3.31Å; E841-Q844 PolarHBondContact O-N 3.4Å; E841-S845 PolarHBondContact O-N 2.79Å |
| 842 | R | 88.6 | Confident | 88.3 | Confident | 133 Ų | 133 | 106.7 Ų | 106.7 | 50% | 0.502 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -60.6 | -48.7 | 170.6 | -86.7 | 176.1 | -79.3 | 179.1 | -8.8 | 112.1 | Q838 F839 Q844 S845 E846 | Q838-R842 PolarHBondContact O-N 2.94Å; Q838-R842 PolarHBondContact O-NE 2.82Å; Q838-R842 PolarHBondContact O-NH2 3.25Å; F839-R842 PolarHBondContact O-N 3.45Å; R842-Q844 VanDerWaalsContact C-N 3.28Å; R842-Q844 PolarHBondContact O-N 3.32Å; R842-S845 WeakPolarHBondContact O-CB 3.49Å; R842-S845 PolarHBondContact O-N 2.83Å; R842-S845 VanDerWaalsContact O-N 3.15Å; R842-E846 WeakPolarHBondContact O-CG 3.38Å; R842-E846 PolarHBondContact O-N 3.49Å |
| 843 | L | 86.8 | Confident | 88.3 | Confident | 78 Ų | 78 | 108.8 Ų | 108.8 | 41% | 0.408 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.5 | -32.8 | 176.2 | -73 | 176.9 | 0 | 0 | 0 | 112.9 | F839 I840 L847 | F839-L843 HydrophobicContact CD1-CD1 3.99Å; F839-L843 HydrophobicContact CE1-CD1 3.52Å; F839-L843 HydrophobicContact CE1-CG 4.28Å; F839-L843 HydrophobicContact CE2-CD1 4.47Å; F839-L843 HydrophobicContact CE2-CG 4.39Å; F839-L843 HydrophobicContact CZ-CD1 3.79Å; F839-L843 HydrophobicContact CZ-CD2 4.39Å; F839-L843 HydrophobicContact CZ-CG 4.16Å; F839-L843 WeakPolarHBondContact O-CG 3.29Å; F839-L843 PolarHBondContact O-N 3.42Å; I840-L843 PolarHBondContact O-N 3.38Å; L843-L847 WeakPolarHBondContact O-CB 3.24Å; L843-L847 PolarHBondContact O-N 2.89Å |
| 844 | Q | 89.4 | Confident | 88.3 | Confident | 119 Ų | 119 | 108.7 Ų | 108.7 | 56% | 0.556 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -70.4 | -37.9 | 174.3 | -75.3 | 176.6 | 18.4 | 0 | 0 | 111.9 | I840 E841 R842 A848 | I840-Q844 HydrophobicContact CG2-CG 4.42Å; I840-Q844 VanDerWaalsContact CG2-NE2 3.3Å; I840-Q844 WeakPolarHBondContact O-CB 3.48Å; I840-Q844 VanDerWaalsContact O-CG 3.29Å; I840-Q844 WeakPolarHBondContact O-CG 3.44Å; I840-Q844 PolarHBondContact O-N 2.82Å; E841-Q844 PolarHBondContact O-N 3.4Å; R842-Q844 VanDerWaalsContact C-N 3.28Å; R842-Q844 PolarHBondContact O-N 3.32Å; Q844-A848 WeakPolarHBondContact O-CB 3.5Å; Q844-A848 PolarHBondContact O-N 2.84Å |
| 845 | S | 89 | Confident | 88.4 | Confident | 65 Ų | 65 | 109.2 Ų | 109.2 | 46% | 0.455 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.5 | -47.7 | 172.4 | -174.1 | 0 | 0 | 0 | 0 | 111.7 | E841 R842 L847 A848 N849 | E841-S845 PolarHBondContact O-N 2.79Å; R842-S845 WeakPolarHBondContact O-CB 3.49Å; R842-S845 PolarHBondContact O-N 2.83Å; R842-S845 VanDerWaalsContact O-N 3.15Å; S845-L847 VanDerWaalsContact C-N 3.35Å; S845-L847 PolarHBondContact O-N 3.36Å; S845-A848 WeakPolarHBondContact O-CB 3.5Å; S845-A848 PolarHBondContact O-N 3.23Å; S845-A848 VanDerWaalsContact O-N 3.14Å; S845-N849 VanDerWaalsContact O-CG 3.23Å; S845-N849 PolarHBondContact O-N 2.82Å; S845-N849 PolarHBondContact O-ND2 2.76Å |
| 846 | E | 87.7 | Confident | 88.4 | Confident | 107 Ų | 107 | 107.9 Ų | 107.9 | 50% | 0.5 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -58.7 | -43.8 | 174 | -71.8 | 168.2 | -156.9 | 0 | 0 | 111.8 | R842 A848 N849 E850 | R842-E846 WeakPolarHBondContact O-CG 3.38Å; R842-E846 PolarHBondContact O-N 3.49Å; E846-A848 VanDerWaalsContact C-N 3.33Å; E846-A848 PolarHBondContact O-N 2.82Å; E846-N849 PolarHBondContact O-N 2.77Å; E846-E850 PolarHBondContact O-N 3.42Å |
| 847 | L | 87.4 | Confident | 88.4 | Confident | 87 Ų | 87 | 107.1 Ų | 107.1 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.6 | -31.5 | 175.7 | -176.9 | 64.1 | 0 | 0 | 0 | 112.9 | L843 S845 R851 | L843-L847 WeakPolarHBondContact O-CB 3.24Å; L843-L847 PolarHBondContact O-N 2.89Å; S845-L847 VanDerWaalsContact C-N 3.35Å; S845-L847 PolarHBondContact O-N 3.36Å; L847-R851 WeakPolarHBondContact O-CB 3.22Å; L847-R851 WeakPolarHBondContact O-CD 3.41Å; L847-R851 WeakPolarHBondContact O-CG 3.43Å; L847-R851 PolarHBondContact O-N 3.35Å; L847-R851 VanDerWaalsContact O-N 3.08Å |
| 848 | A | 89.4 | Confident | 88.3 | Confident | 45 Ų | 45 | 104.6 Ų | 104.6 | 37% | 0.372 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.5 | -47.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q844 S845 E846 E850 R851 E852 | Q844-A848 WeakPolarHBondContact O-CB 3.5Å; Q844-A848 PolarHBondContact O-N 2.84Å; S845-A848 WeakPolarHBondContact O-CB 3.5Å; S845-A848 PolarHBondContact O-N 3.23Å; S845-A848 VanDerWaalsContact O-N 3.14Å; E846-A848 VanDerWaalsContact C-N 3.33Å; E846-A848 PolarHBondContact O-N 2.82Å; A848-E850 PolarHBondContact O-N 3.3Å; A848-R851 WeakPolarHBondContact O-CB 3.37Å; A848-R851 PolarHBondContact O-N 2.93Å; A848-R851 VanDerWaalsContact O-N 3.1Å; A848-E852 PolarHBondContact O-N 3.1Å |
| 849 | N | 89.5 | Confident | 88.4 | Confident | 91 Ų | 91 | 106.2 Ų | 106.2 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.5 | -42.3 | 177.2 | -65.4 | -36.9 | 0 | 0 | 0 | 112 | S845 E846 R851 E852 R853 | S845-N849 VanDerWaalsContact O-CG 3.23Å; S845-N849 PolarHBondContact O-N 2.82Å; S845-N849 PolarHBondContact O-ND2 2.76Å; E846-N849 PolarHBondContact O-N 2.77Å; N849-R851 VanDerWaalsContact C-N 3.35Å; N849-E852 PolarHBondContact O-N 3.22Å; N849-R853 VanDerWaalsContact O-CB 3.3Å; N849-R853 WeakPolarHBondContact O-CB 3.4Å; N849-R853 PolarHBondContact O-N 3.07Å |
| 850 | E | 84.6 | Confident | 88.5 | Confident | 115 Ų | 115 | 104.6 Ų | 104.6 | 54% | 0.537 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.9 | -27.1 | 175.1 | -78.4 | -60.5 | 127.6 | 0 | 0 | 113.1 | E846 A848 R853 N854 | E846-E850 PolarHBondContact O-N 3.42Å; A848-E850 PolarHBondContact O-N 3.3Å; E850-R853 WeakPolarHBondContact OE1-CD 3.45Å; E850-R853 IonicContact OE1-NE 3.78Å; E850-R853 WeakPolarHBondContact OE2-CD 3.32Å; E850-N854 WeakPolarHBondContact O-CB 3.5Å; E850-N854 PolarHBondContact O-N 2.66Å |
| 851 | R | 89.7 | Confident | 88.5 | Confident | 152 Ų | 152 | 106 Ų | 106 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.9 | -47.9 | 169.1 | -78 | 166.3 | 179.2 | 176 | 0.4 | 111.5 | L847 A848 N849 R853 N854 D855 | L847-R851 WeakPolarHBondContact O-CB 3.22Å; L847-R851 WeakPolarHBondContact O-CD 3.41Å; L847-R851 WeakPolarHBondContact O-CG 3.43Å; L847-R851 PolarHBondContact O-N 3.35Å; L847-R851 VanDerWaalsContact O-N 3.08Å; A848-R851 WeakPolarHBondContact O-CB 3.37Å; A848-R851 PolarHBondContact O-N 2.93Å; A848-R851 VanDerWaalsContact O-N 3.1Å; N849-R851 VanDerWaalsContact C-N 3.35Å; R851-R853 VanDerWaalsContact C-N 3.31Å; R851-R853 PolarHBondContact O-N 3.27Å; R851-N854 PolarHBondContact O-N 2.83Å; R851-N854 VanDerWaalsContact O-N 3.17Å; R851-D855 PolarHBondContact O-N 3.01Å |
| 852 | E | 90 | Very high | 88.6 | Confident | 145 Ų | 145 | 102.1 Ų | 102.1 | 68% | 0.678 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.8 | -40.5 | 175.5 | -69.2 | -169.3 | 178 | 0 | 0 | 111.8 | A848 N849 D855 F856 | A848-E852 PolarHBondContact O-N 3.1Å; N849-E852 PolarHBondContact O-N 3.22Å; E852-D855 PolarHBondContact O-N 2.87Å; E852-F856 WeakPolarHBondContact O-CB 3.22Å; E852-F856 PolarHBondContact O-N 2.78Å |
| 853 | R | 89 | Confident | 88.6 | Confident | 145 Ų | 145 | 98.8 Ų | 98.8 | 55% | 0.547 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -44 | 173.3 | -175.4 | -176.1 | 174.7 | 79 | -1.7 | 112 | N849 E850 R851 F856 L857 | N849-R853 VanDerWaalsContact O-CB 3.3Å; N849-R853 WeakPolarHBondContact O-CB 3.4Å; N849-R853 PolarHBondContact O-N 3.07Å; E850-R853 WeakPolarHBondContact OE1-CD 3.45Å; E850-R853 IonicContact OE1-NE 3.78Å; E850-R853 WeakPolarHBondContact OE2-CD 3.32Å; R851-R853 VanDerWaalsContact C-N 3.31Å; R851-R853 PolarHBondContact O-N 3.27Å; R853-F856 PolarHBondContact O-N 2.68Å; R853-L857 HydrophobicContact CG-CD1 4.21Å; R853-L857 WeakPolarHBondContact O-CB 3.4Å; R853-L857 VanDerWaalsContact O-CG 3.27Å; R853-L857 WeakPolarHBondContact O-CG 3.47Å; R853-L857 PolarHBondContact O-N 2.97Å |
| 854 | N | 86.8 | Confident | 88.7 | Confident | 87 Ų | 87 | 99.9 Ų | 99.9 | 47% | 0.465 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.5 | -42.5 | 176.6 | -173.4 | 20.6 | 0 | 0 | 0 | 111.3 | E850 R851 F856 L857 N858 | E850-N854 WeakPolarHBondContact O-CB 3.5Å; E850-N854 PolarHBondContact O-N 2.66Å; R851-N854 PolarHBondContact O-N 2.83Å; R851-N854 VanDerWaalsContact O-N 3.17Å; N854-F856 VanDerWaalsContact C-N 3.35Å; N854-F856 PolarHBondContact O-N 2.87Å; N854-L857 PolarHBondContact O-N 3.47Å; N854-N858 WeakPolarHBondContact O-CB 3.26Å; N854-N858 PolarHBondContact O-N 2.88Å; N854-N858 PolarHBondContact O-ND2 3.47Å; N854-N858 PolarHBondContact OD1-ND2 2.86Å |
| 855 | D | 90.4 | Very high | 88.7 | Confident | 111 Ų | 111 | 98.7 Ų | 98.7 | 59% | 0.594 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.2 | -37.7 | 176.3 | -74 | -17.2 | 0 | 0 | 0 | 112 | R851 E852 N858 K859 | R851-D855 PolarHBondContact O-N 3.01Å; E852-D855 PolarHBondContact O-N 2.87Å; D855-N858 PolarHBondContact O-N 3.46Å; D855-K859 WeakPolarHBondContact O-CB 3.23Å; D855-K859 PolarHBondContact O-N 3.22Å |
| 856 | F | 88.4 | Confident | 88.8 | Confident | 132 Ų | 132 | 102.4 Ų | 102.4 | 58% | 0.579 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64 | -43.7 | 171.3 | -178.9 | -103.4 | 0 | 0 | 0 | 112.5 | E852 R853 N854 K859 I860 | E852-F856 WeakPolarHBondContact O-CB 3.22Å; E852-F856 PolarHBondContact O-N 2.78Å; R853-F856 PolarHBondContact O-N 2.68Å; N854-F856 VanDerWaalsContact C-N 3.35Å; N854-F856 PolarHBondContact O-N 2.87Å; F856-K859 WeakPolarHBondContact O-CB 3.38Å; F856-K859 PolarHBondContact O-N 3.41Å; F856-I860 HydrophobicContact CD1-CD1 3.93Å; F856-I860 HydrophobicContact CE1-CD1 3.4Å; F856-I860 HydrophobicContact CE1-CG1 4.46Å; F856-I860 HydrophobicContact CE2-CD1 4.42Å; F856-I860 HydrophobicContact CZ-CD1 3.69Å; F856-I860 PolarHBondContact O-N 3.3Å |
| 857 | L | 88 | Confident | 88.8 | Confident | 89 Ų | 89 | 101.6 Ų | 101.6 | 47% | 0.466 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.4 | -39.1 | 175.2 | -73.3 | 170.5 | 0 | 0 | 0 | 112.2 | R853 N854 K859 I860 K861 | R853-L857 HydrophobicContact CG-CD1 4.21Å; R853-L857 WeakPolarHBondContact O-CB 3.4Å; R853-L857 VanDerWaalsContact O-CG 3.27Å; R853-L857 WeakPolarHBondContact O-CG 3.47Å; R853-L857 PolarHBondContact O-N 2.97Å; N854-L857 PolarHBondContact O-N 3.47Å; L857-K859 VanDerWaalsContact C-N 3.34Å; L857-I860 PolarHBondContact O-N 3.22Å; L857-K861 VanDerWaalsContact O-CB 3.28Å; L857-K861 WeakPolarHBondContact O-CB 3.38Å; L857-K861 PolarHBondContact O-N 3.39Å |
| 858 | N | 87.3 | Confident | 88.8 | Confident | 66 Ų | 66 | 102.6 Ų | 102.6 | 35% | 0.353 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65.3 | -38.1 | 173.5 | -76 | -50.5 | 0 | 0 | 0 | 111.3 | N854 D855 K861 T862 | N854-N858 WeakPolarHBondContact O-CB 3.26Å; N854-N858 PolarHBondContact O-N 2.88Å; N854-N858 PolarHBondContact O-ND2 3.47Å; N854-N858 PolarHBondContact OD1-ND2 2.86Å; D855-N858 PolarHBondContact O-N 3.46Å; N858-K861 WeakPolarHBondContact O-CB 3.45Å; N858-K861 PolarHBondContact O-N 3.48Å; N858-T862 WeakPolarHBondContact O-CG2 3.46Å; N858-T862 PolarHBondContact O-N 3.4Å; N858-T862 PolarHBondContact O-OG1 2.87Å |
| 859 | K | 91.7 | Very high | 88.8 | Confident | 134 Ų | 134 | 108 Ų | 108 | 58% | 0.583 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -60.7 | -53.8 | 172.6 | -173.8 | 177 | 178 | -178.4 | 0 | 111.2 | D855 F856 L857 K861 T862 D863 | D855-K859 WeakPolarHBondContact O-CB 3.23Å; D855-K859 PolarHBondContact O-N 3.22Å; F856-K859 WeakPolarHBondContact O-CB 3.38Å; F856-K859 PolarHBondContact O-N 3.41Å; L857-K859 VanDerWaalsContact C-N 3.34Å; K859-K861 VanDerWaalsContact C-N 3.26Å; K859-K861 PolarHBondContact O-N 3.07Å; K859-T862 PolarHBondContact O-N 3.26Å; K859-T862 VanDerWaalsContact O-N 3.1Å; K859-T862 PolarHBondContact O-OG1 2.83Å; K859-D863 VanDerWaalsContact O-CG 3.31Å; K859-D863 PolarHBondContact O-N 3.47Å |
| 860 | I | 88.1 | Confident | 88.8 | Confident | 74 Ų | 74 | 106.3 Ų | 106.3 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -54.8 | -43 | 175.4 | -71.9 | 174.6 | 0 | 0 | 0 | 111.2 | F856 L857 D863 K864 | F856-I860 HydrophobicContact CD1-CD1 3.93Å; F856-I860 HydrophobicContact CE1-CD1 3.4Å; F856-I860 HydrophobicContact CE1-CG1 4.46Å; F856-I860 HydrophobicContact CE2-CD1 4.42Å; F856-I860 HydrophobicContact CZ-CD1 3.69Å; F856-I860 PolarHBondContact O-N 3.3Å; L857-I860 PolarHBondContact O-N 3.22Å; I860-D863 PolarHBondContact O-N 3.43Å; I860-K864 WeakPolarHBondContact O-CB 3.47Å; I860-K864 WeakPolarHBondContact O-CG 3.16Å; I860-K864 PolarHBondContact O-N 3.46Å |
| 861 | K | 88.4 | Confident | 88.9 | Confident | 114 Ų | 114 | 105 Ų | 105 | 50% | 0.496 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -58.5 | -52.3 | 175.4 | 177.6 | -172.1 | 160.4 | -173.3 | 0 | 111.1 | L857 N858 K859 D863 K864 E865 | L857-K861 VanDerWaalsContact O-CB 3.28Å; L857-K861 WeakPolarHBondContact O-CB 3.38Å; L857-K861 PolarHBondContact O-N 3.39Å; N858-K861 WeakPolarHBondContact O-CB 3.45Å; N858-K861 PolarHBondContact O-N 3.48Å; K859-K861 VanDerWaalsContact C-N 3.26Å; K859-K861 PolarHBondContact O-N 3.07Å; K861-D863 VanDerWaalsContact C-N 3.29Å; K861-D863 PolarHBondContact O-N 2.83Å; K861-K864 CarbonylContact O-C 3.54Å; K861-K864 PolarHBondContact O-N 2.89Å; K861-K864 VanDerWaalsContact O-N 3.16Å; K861-E865 VanDerWaalsContact CE-CD 3.47Å; K861-E865 WeakPolarHBondContact CE-OE1 3.41Å; K861-E865 HydrophobicContact CG-CG 4.34Å; K861-E865 IonicContact NZ-OE1 3.65Å; K861-E865 WeakPolarHBondContact O-CB 3.37Å; K861-E865 WeakPolarHBondContact O-CG 3.34Å; K861-E865 PolarHBondContact O-N 3.33Å |
| 862 | T | 90.3 | Very high | 89 | Confident | 56 Ų | 56 | 100.6 Ų | 100.6 | 34% | 0.344 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67 | -29.1 | 179.8 | 65 | 0 | 0 | 0 | 0 | 113.3 | N858 K859 R866 | N858-T862 WeakPolarHBondContact O-CG2 3.46Å; N858-T862 PolarHBondContact O-N 3.4Å; N858-T862 PolarHBondContact O-OG1 2.87Å; K859-T862 PolarHBondContact O-N 3.26Å; K859-T862 VanDerWaalsContact O-N 3.1Å; K859-T862 PolarHBondContact O-OG1 2.83Å; T862-R866 WeakPolarHBondContact O-CG 3.27Å; T862-R866 PolarHBondContact O-N 2.82Å; T862-R866 VanDerWaalsContact O-N 3.1Å; T862-R866 PolarHBondContact O-NE 2.77Å; T862-R866 PolarHBondContact O-NH2 2.8Å; T862-R866 PolarHBondContact OG1-NH2 3.43Å |
| 863 | D | 89.8 | Confident | 89 | Confident | 62 Ų | 62 | 96.4 Ų | 96.4 | 33% | 0.332 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.7 | -43 | 172.6 | -67.9 | -25.7 | 0 | 0 | 0 | 110.2 | K859 I860 K861 R866 E867 | K859-D863 VanDerWaalsContact O-CG 3.31Å; K859-D863 PolarHBondContact O-N 3.47Å; I860-D863 PolarHBondContact O-N 3.43Å; K861-D863 VanDerWaalsContact C-N 3.29Å; K861-D863 PolarHBondContact O-N 2.83Å; D863-R866 PolarHBondContact O-N 3.44Å; D863-R866 IonicContact OD1-CZ 2.62Å; D863-R866 IonicContact OD1-NH1 2.64Å; D863-R866 PolarHBondContact OD1-NH1 3.35Å; D863-R866 IonicContact OD1-NH2 3.08Å; D863-R866 PolarHBondContact OD1-NH2 2.76Å; D863-E867 PolarHBondContact O-N 3.45Å |
| 864 | K | 87.4 | Confident | 89 | Confident | 102 Ų | 102 | 94.2 Ų | 94.2 | 44% | 0.443 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -73 | -29.4 | 174.7 | -72.7 | -64.2 | -179.4 | -164.8 | 0 | 114.4 | I860 K861 R866 E867 L868 | I860-K864 WeakPolarHBondContact O-CB 3.47Å; I860-K864 WeakPolarHBondContact O-CG 3.16Å; I860-K864 PolarHBondContact O-N 3.46Å; K861-K864 CarbonylContact O-C 3.54Å; K861-K864 PolarHBondContact O-N 2.89Å; K861-K864 VanDerWaalsContact O-N 3.16Å; K864-R866 VanDerWaalsContact C-N 3.33Å; K864-E867 HydrophobicContact CD-CB 4.46Å; K864-E867 WeakPolarHBondContact CD-OE2 3.47Å; K864-E867 WeakPolarHBondContact CE-OE2 3.43Å; K864-E867 IonicContact NZ-OE1 2.65Å; K864-E867 PolarHBondContact NZ-OE1 2.96Å; K864-E867 IonicContact NZ-OE2 2.63Å; K864-E867 PolarHBondContact NZ-OE2 3.03Å; K864-E867 PolarHBondContact O-N 2.97Å; K864-L868 WeakPolarHBondContact O-CB 3.4Å; K864-L868 VanDerWaalsContact O-CG 3.29Å; K864-L868 WeakPolarHBondContact O-CG 3.15Å; K864-L868 PolarHBondContact O-N 2.9Å |
| 865 | E | 90.1 | Very high | 88.9 | Confident | 93 Ų | 93 | 95.6 Ų | 95.6 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.4 | -36.7 | 170.1 | -74.6 | 170.5 | 151 | 0 | 0 | 110.9 | K861 Y869 | K861-E865 VanDerWaalsContact CE-CD 3.47Å; K861-E865 WeakPolarHBondContact CE-OE1 3.41Å; K861-E865 HydrophobicContact CG-CG 4.34Å; K861-E865 IonicContact NZ-OE1 3.65Å; K861-E865 WeakPolarHBondContact O-CB 3.37Å; K861-E865 WeakPolarHBondContact O-CG 3.34Å; K861-E865 PolarHBondContact O-N 3.33Å; E865-Y869 WeakPolarHBondContact O-CB 3.31Å; E865-Y869 PolarHBondContact O-N 3Å |
| 866 | R | 90.7 | Very high | 88.8 | Confident | 143 Ų | 143 | 94.5 Ų | 94.5 | 54% | 0.54 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.3 | -38.6 | 171.8 | -79.3 | 178.2 | -96.4 | 113 | 2 | 112.7 | T862 D863 K864 Y869 S870 | T862-R866 WeakPolarHBondContact O-CG 3.27Å; T862-R866 PolarHBondContact O-N 2.82Å; T862-R866 VanDerWaalsContact O-N 3.1Å; T862-R866 PolarHBondContact O-NE 2.77Å; T862-R866 PolarHBondContact O-NH2 2.8Å; T862-R866 PolarHBondContact OG1-NH2 3.43Å; D863-R866 PolarHBondContact O-N 3.44Å; D863-R866 IonicContact OD1-CZ 2.62Å; D863-R866 IonicContact OD1-NH1 2.64Å; D863-R866 PolarHBondContact OD1-NH1 3.35Å; D863-R866 IonicContact OD1-NH2 3.08Å; D863-R866 PolarHBondContact OD1-NH2 2.76Å; K864-R866 VanDerWaalsContact C-N 3.33Å; R866-Y869 PolarHBondContact O-N 3.12Å; R866-S870 PolarHBondContact O-N 2.93Å |
| 867 | E | 89 | Confident | 88.8 | Confident | 91 Ų | 91 | 94.4 Ų | 94.4 | 43% | 0.425 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -64.1 | -46.5 | 173.9 | -166.6 | 177 | 126.5 | 0 | 0 | 111.7 | D863 K864 Y869 S870 I871 | D863-E867 PolarHBondContact O-N 3.45Å; K864-E867 HydrophobicContact CD-CB 4.46Å; K864-E867 WeakPolarHBondContact CD-OE2 3.47Å; K864-E867 WeakPolarHBondContact CE-OE2 3.43Å; K864-E867 IonicContact NZ-OE1 2.65Å; K864-E867 PolarHBondContact NZ-OE1 2.96Å; K864-E867 IonicContact NZ-OE2 2.63Å; K864-E867 PolarHBondContact NZ-OE2 3.03Å; K864-E867 PolarHBondContact O-N 2.97Å; E867-Y869 VanDerWaalsContact C-N 3.31Å; E867-Y869 PolarHBondContact O-N 3.39Å; E867-S870 WeakPolarHBondContact O-CB 3.35Å; E867-S870 PolarHBondContact O-N 3.49Å; E867-I871 HydrophobicContact CG-CD1 4.18Å; E867-I871 WeakPolarHBondContact O-CG1 3.31Å; E867-I871 PolarHBondContact O-N 3.21Å |
| 868 | L | 87.1 | Confident | 88.8 | Confident | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -60.9 | -37.2 | 173.1 | -75.8 | 170.4 | 0 | 0 | 0 | 112.3 | K864 I871 T872 | K864-L868 WeakPolarHBondContact O-CB 3.4Å; K864-L868 VanDerWaalsContact O-CG 3.29Å; K864-L868 WeakPolarHBondContact O-CG 3.15Å; K864-L868 PolarHBondContact O-N 2.9Å; L868-I871 PolarHBondContact O-N 2.86Å; L868-T872 WeakPolarHBondContact O-CB 3.48Å; L868-T872 PolarHBondContact O-N 2.84Å; L868-T872 PolarHBondContact O-OG1 2.78Å |
| 869 | Y | 88.4 | Confident | 88.7 | Confident | 157 Ų | 157 | 99 Ų | 99 | 62% | 0.616 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -65.7 | -40.8 | 174.6 | -171 | -109.5 | 0 | 0 | 0 | 111.9 | E865 R866 E867 T872 N873 | E865-Y869 WeakPolarHBondContact O-CB 3.31Å; E865-Y869 PolarHBondContact O-N 3Å; R866-Y869 PolarHBondContact O-N 3.12Å; E867-Y869 VanDerWaalsContact C-N 3.31Å; E867-Y869 PolarHBondContact O-N 3.39Å; Y869-T872 PolarHBondContact O-N 3.49Å; Y869-N873 WeakPolarHBondContact CD1-ND2 3.37Å; Y869-N873 WeakPolarHBondContact CE1-ND2 3.19Å; Y869-N873 VanDerWaalsContact O-CG 3.23Å; Y869-N873 PolarHBondContact O-N 3.1Å; Y869-N873 PolarHBondContact O-ND2 2.65Å |
| 870 | S | 90.1 | Very high | 88.6 | Confident | 57 Ų | 57 | 97.7 Ų | 97.7 | 40% | 0.399 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.4 | -53 | 172.4 | -158.5 | 0 | 0 | 0 | 0 | 111.2 | R866 E867 T872 N873 E874 | R866-S870 PolarHBondContact O-N 2.93Å; E867-S870 WeakPolarHBondContact O-CB 3.35Å; E867-S870 PolarHBondContact O-N 3.49Å; S870-T872 PolarHBondContact O-N 3.48Å; S870-N873 PolarHBondContact O-N 2.84Å; S870-N873 VanDerWaalsContact O-N 3.1Å; S870-E874 VanDerWaalsContact C-OE1 3.31Å; S870-E874 WeakPolarHBondContact CB-OE1 3.17Å; S870-E874 WeakPolarHBondContact O-CB 3.5Å; S870-E874 VanDerWaalsContact O-CG 3.31Å; S870-E874 WeakPolarHBondContact O-CG 3.43Å; S870-E874 PolarHBondContact O-N 2.75Å; S870-E874 PolarHBondContact OG-OE1 3.41Å |
| 871 | I | 87.4 | Confident | 88.6 | Confident | 87 Ų | 87 | 98.6 Ų | 98.6 | 45% | 0.446 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -61 | -34.1 | -180 | -65.8 | 166.1 | 0 | 0 | 0 | 111.5 | E867 L868 M875 | E867-I871 HydrophobicContact CG-CD1 4.18Å; E867-I871 WeakPolarHBondContact O-CG1 3.31Å; E867-I871 PolarHBondContact O-N 3.21Å; L868-I871 PolarHBondContact O-N 2.86Å; I871-M875 VanDerWaalsContact O-CB 3.25Å; I871-M875 WeakPolarHBondContact O-CB 3.35Å; I871-M875 PolarHBondContact O-N 2.75Å |
| 872 | T | 90.1 | Very high | 88.5 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 37% | 0.368 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.1 | -46.4 | 175.2 | -55.9 | 0 | 0 | 0 | 0 | 111.1 | L868 Y869 S870 E874 M875 D876 | L868-T872 WeakPolarHBondContact O-CB 3.48Å; L868-T872 PolarHBondContact O-N 2.84Å; L868-T872 PolarHBondContact O-OG1 2.78Å; Y869-T872 PolarHBondContact O-N 3.49Å; S870-T872 PolarHBondContact O-N 3.48Å; T872-E874 VanDerWaalsContact C-N 3.33Å; T872-E874 PolarHBondContact O-N 3.28Å; T872-M875 PolarHBondContact O-N 3.19Å; T872-D876 WeakPolarHBondContact O-CB 3.28Å; T872-D876 PolarHBondContact O-N 3.21Å |
| 873 | N | 89.6 | Confident | 88.4 | Confident | 56 Ų | 56 | 102 Ų | 102 | 30% | 0.299 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 175.7 | -63.1 | -39.5 | 0 | 0 | 0 | 111.6 | Y869 S870 D876 H877 | Y869-N873 WeakPolarHBondContact CD1-ND2 3.37Å; Y869-N873 WeakPolarHBondContact CE1-ND2 3.19Å; Y869-N873 VanDerWaalsContact O-CG 3.23Å; Y869-N873 PolarHBondContact O-N 3.1Å; Y869-N873 PolarHBondContact O-ND2 2.65Å; S870-N873 PolarHBondContact O-N 2.84Å; S870-N873 VanDerWaalsContact O-N 3.1Å; N873-D876 PolarHBondContact O-N 3.46Å; N873-H877 WeakPolarHBondContact O-CB 3.39Å; N873-H877 PolarHBondContact O-CD2 3.02Å; N873-H877 VanDerWaalsContact O-CG 3.27Å; N873-H877 PolarHBondContact O-N 3.37Å |
| 874 | E | 89.1 | Confident | 88.4 | Confident | 99 Ų | 99 | 103.2 Ų | 103.2 | 46% | 0.463 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -41.6 | 174.7 | -71.1 | 162.8 | -126.5 | 0 | 0 | 111.3 | S870 T872 H877 L878 | S870-E874 VanDerWaalsContact C-OE1 3.31Å; S870-E874 WeakPolarHBondContact CB-OE1 3.17Å; S870-E874 WeakPolarHBondContact O-CB 3.5Å; S870-E874 VanDerWaalsContact O-CG 3.31Å; S870-E874 WeakPolarHBondContact O-CG 3.43Å; S870-E874 PolarHBondContact O-N 2.75Å; S870-E874 PolarHBondContact OG-OE1 3.41Å; T872-E874 VanDerWaalsContact C-N 3.33Å; T872-E874 PolarHBondContact O-N 3.28Å; E874-H877 PolarHBondContact O-N 3.24Å; E874-L878 WeakPolarHBondContact O-CB 3.34Å; E874-L878 VanDerWaalsContact O-CG 3.25Å; E874-L878 WeakPolarHBondContact O-CG 3.41Å; E874-L878 PolarHBondContact O-N 3.22Å |
| 875 | M | 85.2 | Confident | 88.4 | Confident | 116 Ų | 116 | 102 Ų | 102 | 57% | 0.571 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -65.1 | -42 | 173.9 | -174.1 | -175.7 | 70 | 0 | 0 | 112 | I871 T872 L878 H879 | I871-M875 VanDerWaalsContact O-CB 3.25Å; I871-M875 WeakPolarHBondContact O-CB 3.35Å; I871-M875 PolarHBondContact O-N 2.75Å; T872-M875 PolarHBondContact O-N 3.19Å; M875-L878 PolarHBondContact O-N 3.34Å; M875-H879 VanDerWaalsContact O-CB 3.26Å; M875-H879 WeakPolarHBondContact O-CB 3.36Å; M875-H879 PolarHBondContact O-N 2.91Å |
| 876 | D | 89 | Confident | 88.4 | Confident | 88 Ų | 88 | 100.6 Ų | 100.6 | 47% | 0.471 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -39.9 | 176.4 | -78.9 | -21.5 | 0 | 0 | 0 | 111.5 | T872 N873 H879 Q880 | T872-D876 WeakPolarHBondContact O-CB 3.28Å; T872-D876 PolarHBondContact O-N 3.21Å; N873-D876 PolarHBondContact O-N 3.46Å; D876-H879 PolarHBondContact O-N 3.37Å; D876-Q880 WeakPolarHBondContact O-CB 3.34Å; D876-Q880 PolarHBondContact O-N 2.89Å |
| 877 | H | 87.8 | Confident | 88.3 | Confident | 130 Ų | 130 | 96.7 Ų | 96.7 | 60% | 0.602 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64 | -42.9 | 171.9 | -74.8 | -45.1 | 0 | 0 | 0 | 112.2 | N873 E874 H879 Q880 H881 | N873-H877 WeakPolarHBondContact O-CB 3.39Å; N873-H877 PolarHBondContact O-CD2 3.02Å; N873-H877 VanDerWaalsContact O-CG 3.27Å; N873-H877 PolarHBondContact O-N 3.37Å; E874-H877 PolarHBondContact O-N 3.24Å; H877-H879 VanDerWaalsContact C-N 3.34Å; H877-Q880 PolarHBondContact O-N 3.24Å; H877-H881 WeakPolarHBondContact O-CB 3.42Å; H877-H881 PolarHBondContact O-N 3.28Å |
| 878 | L | 87.7 | Confident | 88.3 | Confident | 122 Ų | 122 | 99.7 Ų | 99.7 | 64% | 0.639 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -66.4 | -35.1 | 174.2 | -74.3 | 170.4 | 0 | 0 | 0 | 112 | E874 M875 H881 N882 | E874-L878 WeakPolarHBondContact O-CB 3.34Å; E874-L878 VanDerWaalsContact O-CG 3.25Å; E874-L878 WeakPolarHBondContact O-CG 3.41Å; E874-L878 PolarHBondContact O-N 3.22Å; M875-L878 PolarHBondContact O-N 3.34Å; L878-H881 PolarHBondContact O-N 3.33Å; L878-N882 VanDerWaalsContact O-CB 3.22Å; L878-N882 WeakPolarHBondContact O-CB 3.37Å; L878-N882 PolarHBondContact O-N 3.42Å |
| 879 | H | 86.8 | Confident | 88.3 | Confident | 131 Ų | 131 | 99.3 Ų | 99.3 | 61% | 0.606 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.7 | -41.2 | 176.4 | -169.9 | 70.8 | 0 | 0 | 0 | 111.5 | M875 D876 H877 N882 K883 | M875-H879 VanDerWaalsContact O-CB 3.26Å; M875-H879 WeakPolarHBondContact O-CB 3.36Å; M875-H879 PolarHBondContact O-N 2.91Å; D876-H879 PolarHBondContact O-N 3.37Å; H877-H879 VanDerWaalsContact C-N 3.34Å; H879-N882 PolarHBondContact O-N 2.85Å; H879-K883 WeakPolarHBondContact O-CB 3.47Å; H879-K883 PolarHBondContact O-N 3.17Å |
| 880 | Q | 88.5 | Confident | 88.4 | Confident | 106 Ų | 106 | 97.2 Ų | 97.2 | 50% | 0.495 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.9 | -48.2 | 169.6 | -178.8 | -177.9 | -29.3 | 0 | 0 | 110.7 | D876 H877 N882 K883 E884 | D876-Q880 WeakPolarHBondContact O-CB 3.34Å; D876-Q880 PolarHBondContact O-N 2.89Å; H877-Q880 PolarHBondContact O-N 3.24Å; Q880-N882 VanDerWaalsContact C-N 3.35Å; Q880-N882 PolarHBondContact O-N 3.29Å; Q880-K883 CarbonylContact O-C 3.4Å; Q880-K883 WeakPolarHBondContact O-CA 3.48Å; Q880-K883 WeakPolarHBondContact O-CB 3.5Å; Q880-K883 PolarHBondContact O-N 3.36Å; Q880-K883 VanDerWaalsContact O-N 3.12Å; Q880-E884 WeakPolarHBondContact CG-OE1 3.24Å; Q880-E884 PolarHBondContact NE2-OE1 3.32Å; Q880-E884 WeakPolarHBondContact O-CG 3.31Å; Q880-E884 PolarHBondContact O-N 2.92Å |
| 881 | H | 89.1 | Confident | 88.3 | Confident | 92 Ų | 92 | 100.2 Ų | 100.2 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | -179.6 | -168.9 | 53.4 | 0 | 0 | 0 | 112.3 | H877 L878 K883 E884 L885 | H877-H881 WeakPolarHBondContact O-CB 3.42Å; H877-H881 PolarHBondContact O-N 3.28Å; L878-H881 PolarHBondContact O-N 3.33Å; H881-K883 VanDerWaalsContact C-N 3.32Å; H881-K883 PolarHBondContact O-N 3.44Å; H881-E884 IonicContact ND1-OE2 2.75Å; H881-E884 PolarHBondContact ND1-OE2 3.42Å; H881-E884 WeakPolarHBondContact O-CB 3.27Å; H881-E884 PolarHBondContact O-N 2.91Å; H881-L885 WeakPolarHBondContact O-CB 3.37Å; H881-L885 VanDerWaalsContact O-CG 3.32Å; H881-L885 WeakPolarHBondContact O-CG 3.15Å; H881-L885 PolarHBondContact O-N 2.89Å |
| 882 | N | 85.3 | Confident | 88.3 | Confident | 96 Ų | 96 | 104.8 Ų | 104.8 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66 | -34.8 | 173.7 | -165.7 | -0.7 | 0 | 0 | 0 | 111.7 | L878 H879 Q880 L885 S886 | L878-N882 VanDerWaalsContact O-CB 3.22Å; L878-N882 WeakPolarHBondContact O-CB 3.37Å; L878-N882 PolarHBondContact O-N 3.42Å; H879-N882 PolarHBondContact O-N 2.85Å; Q880-N882 VanDerWaalsContact C-N 3.35Å; Q880-N882 PolarHBondContact O-N 3.29Å; N882-L885 PolarHBondContact O-N 2.71Å; N882-S886 VanDerWaalsContact O-CB 3.27Å; N882-S886 WeakPolarHBondContact O-CB 3.25Å; N882-S886 PolarHBondContact O-N 3.46Å; N882-S886 PolarHBondContact O-OG 3.28Å |
| 883 | K | 89.1 | Confident | 88.2 | Confident | 147 Ų | 147 | 106.9 Ų | 106.9 | 64% | 0.639 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -38.3 | 171.7 | -175 | 179.1 | 179.1 | -179.6 | 0 | 112.5 | H879 Q880 H881 S887 | H879-K883 WeakPolarHBondContact O-CB 3.47Å; H879-K883 PolarHBondContact O-N 3.17Å; Q880-K883 CarbonylContact O-C 3.4Å; Q880-K883 WeakPolarHBondContact O-CA 3.48Å; Q880-K883 WeakPolarHBondContact O-CB 3.5Å; Q880-K883 PolarHBondContact O-N 3.36Å; Q880-K883 VanDerWaalsContact O-N 3.12Å; H881-K883 VanDerWaalsContact C-N 3.32Å; H881-K883 PolarHBondContact O-N 3.44Å; K883-S887 WeakPolarHBondContact O-CB 3.42Å; K883-S887 PolarHBondContact O-N 3.5Å; K883-S887 PolarHBondContact O-OG 2.92Å |
| 884 | E | 89.6 | Confident | 88.1 | Confident | 86 Ų | 86 | 107.6 Ų | 107.6 | 40% | 0.402 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.1 | -45 | 172.3 | -70.4 | 165.8 | -174.5 | 0 | 0 | 111.3 | Q880 H881 S887 R888 | Q880-E884 WeakPolarHBondContact CG-OE1 3.24Å; Q880-E884 PolarHBondContact NE2-OE1 3.32Å; Q880-E884 WeakPolarHBondContact O-CG 3.31Å; Q880-E884 PolarHBondContact O-N 2.92Å; H881-E884 IonicContact ND1-OE2 2.75Å; H881-E884 PolarHBondContact ND1-OE2 3.42Å; H881-E884 WeakPolarHBondContact O-CB 3.27Å; H881-E884 PolarHBondContact O-N 2.91Å; E884-S887 PolarHBondContact O-N 2.8Å; E884-R888 WeakPolarHBondContact O-CB 3.29Å; E884-R888 WeakPolarHBondContact O-CG 3.25Å; E884-R888 PolarHBondContact O-N 3.33Å |
| 885 | L | 87.3 | Confident | 88.1 | Confident | 77 Ų | 77 | 104.6 Ų | 104.6 | 40% | 0.403 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 174.5 | -72.4 | 172.8 | 0 | 0 | 0 | 111.9 | H881 N882 S887 R888 L889 | H881-L885 WeakPolarHBondContact O-CB 3.37Å; H881-L885 VanDerWaalsContact O-CG 3.32Å; H881-L885 WeakPolarHBondContact O-CG 3.15Å; H881-L885 PolarHBondContact O-N 2.89Å; N882-L885 PolarHBondContact O-N 2.71Å; L885-S887 VanDerWaalsContact C-N 3.32Å; L885-S887 PolarHBondContact O-N 2.92Å; L885-R888 CarbonylContact O-C 3.54Å; L885-R888 PolarHBondContact O-N 3.11Å; L885-L889 VanDerWaalsContact O-CB 3.31Å; L885-L889 WeakPolarHBondContact O-CB 3.4Å; L885-L889 PolarHBondContact O-N 2.94Å |
| 886 | S | 89.5 | Confident | 88.1 | Confident | 64 Ų | 64 | 104.3 Ų | 104.3 | 45% | 0.448 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 175.5 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | N882 L889 L890 | N882-S886 VanDerWaalsContact O-CB 3.27Å; N882-S886 WeakPolarHBondContact O-CB 3.25Å; N882-S886 PolarHBondContact O-N 3.46Å; N882-S886 PolarHBondContact O-OG 3.28Å; S886-L889 PolarHBondContact O-N 3.31Å; S886-L890 WeakPolarHBondContact O-CB 3.26Å; S886-L890 PolarHBondContact O-N 2.8Å |
| 887 | S | 88.3 | Confident | 88 | Confident | 60 Ų | 60 | 104 Ų | 104 | 42% | 0.42 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -66 | -44.8 | 175.5 | -55 | 0 | 0 | 0 | 0 | 111.1 | K883 E884 L885 L889 L890 E891 | K883-S887 WeakPolarHBondContact O-CB 3.42Å; K883-S887 PolarHBondContact O-N 3.5Å; K883-S887 PolarHBondContact O-OG 2.92Å; E884-S887 PolarHBondContact O-N 2.8Å; L885-S887 VanDerWaalsContact C-N 3.32Å; L885-S887 PolarHBondContact O-N 2.92Å; S887-L889 VanDerWaalsContact C-N 3.29Å; S887-L889 PolarHBondContact O-N 2.86Å; S887-L890 PolarHBondContact O-N 2.78Å; S887-E891 WeakPolarHBondContact O-CG 3.44Å; S887-E891 PolarHBondContact O-N 3.31Å |
| 888 | R | 89.2 | Confident | 88 | Confident | 155 Ų | 155 | 100.3 Ų | 100.3 | 59% | 0.585 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.1 | -28.9 | 174.5 | -72.8 | 175 | 61.3 | -177.8 | -2.9 | 113.2 | E884 L885 R892 | E884-R888 WeakPolarHBondContact O-CB 3.29Å; E884-R888 WeakPolarHBondContact O-CG 3.25Å; E884-R888 PolarHBondContact O-N 3.33Å; L885-R888 CarbonylContact O-C 3.54Å; L885-R888 PolarHBondContact O-N 3.11Å; R888-R892 WeakPolarHBondContact O-CB 3.22Å; R888-R892 WeakPolarHBondContact O-CG 3.17Å; R888-R892 PolarHBondContact O-N 2.75Å; R888-R892 VanDerWaalsContact O-N 3.11Å |
| 889 | L | 87.1 | Confident | 87.9 | Confident | 99 Ų | 99 | 99.8 Ų | 99.8 | 52% | 0.518 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -71.8 | -46.1 | 174.5 | -170 | 149.1 | 0 | 0 | 0 | 109.8 | L885 S886 S887 E891 R892 E893 | L885-L889 VanDerWaalsContact O-CB 3.31Å; L885-L889 WeakPolarHBondContact O-CB 3.4Å; L885-L889 PolarHBondContact O-N 2.94Å; S886-L889 PolarHBondContact O-N 3.31Å; S887-L889 VanDerWaalsContact C-N 3.29Å; S887-L889 PolarHBondContact O-N 2.86Å; L889-E891 VanDerWaalsContact C-N 3.34Å; L889-E891 PolarHBondContact O-N 2.9Å; L889-R892 CarbonylContact O-C 3.58Å; L889-R892 WeakPolarHBondContact O-CA 3.32Å; L889-R892 WeakPolarHBondContact O-CB 3.33Å; L889-R892 PolarHBondContact O-N 3.34Å; L889-E893 VanDerWaalsContact CD2-CD 3.46Å; L889-E893 HydrophobicContact CD2-CG 3.97Å; L889-E893 WeakPolarHBondContact CD2-OE1 3.31Å; L889-E893 WeakPolarHBondContact O-CG 3.48Å; L889-E893 PolarHBondContact O-N 2.82Å |
| 890 | L | 89.9 | Confident | 87.9 | Confident | 113 Ų | 113 | 96.4 Ų | 96.4 | 59% | 0.592 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -61.1 | -38.8 | 173.6 | -175.4 | 67.1 | 0 | 0 | 0 | 112.6 | S886 S887 R892 E893 S894 | S886-L890 WeakPolarHBondContact O-CB 3.26Å; S886-L890 PolarHBondContact O-N 2.8Å; S887-L890 PolarHBondContact O-N 2.78Å; L890-R892 VanDerWaalsContact C-N 3.32Å; L890-R892 PolarHBondContact O-N 2.79Å; L890-E893 PolarHBondContact O-N 3.46Å; L890-S894 WeakPolarHBondContact O-CB 3.37Å; L890-S894 PolarHBondContact O-N 2.66Å |
| 891 | E | 89.1 | Confident | 87.7 | Confident | 121 Ų | 121 | 97.6 Ų | 97.6 | 57% | 0.565 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -58 | -44.6 | 170 | -75.7 | 172 | 177.9 | 0 | 0 | 111.2 | S887 L889 S894 A895 | S887-E891 WeakPolarHBondContact O-CG 3.44Å; S887-E891 PolarHBondContact O-N 3.31Å; L889-E891 VanDerWaalsContact C-N 3.34Å; L889-E891 PolarHBondContact O-N 2.9Å; E891-S894 PolarHBondContact O-N 2.99Å; E891-S894 PolarHBondContact O-OG 3.45Å; E891-A895 WeakPolarHBondContact O-CB 3.4Å; E891-A895 PolarHBondContact O-N 2.97Å |
| 892 | R | 86.1 | Confident | 87.7 | Confident | 182 Ų | 182 | 98.4 Ų | 98.4 | 69% | 0.687 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71.3 | -36.9 | -180 | -71.1 | -75.6 | 165.2 | 157.1 | -2.6 | 112.9 | R888 L889 L890 A895 L896 | R888-R892 WeakPolarHBondContact O-CB 3.22Å; R888-R892 WeakPolarHBondContact O-CG 3.17Å; R888-R892 PolarHBondContact O-N 2.75Å; R888-R892 VanDerWaalsContact O-N 3.11Å; L889-R892 CarbonylContact O-C 3.58Å; L889-R892 WeakPolarHBondContact O-CA 3.32Å; L889-R892 WeakPolarHBondContact O-CB 3.33Å; L889-R892 PolarHBondContact O-N 3.34Å; L890-R892 VanDerWaalsContact C-N 3.32Å; L890-R892 PolarHBondContact O-N 2.79Å; R892-A895 PolarHBondContact O-N 2.87Å; R892-L896 WeakPolarHBondContact O-CB 3.46Å; R892-L896 WeakPolarHBondContact O-CG 3.18Å; R892-L896 PolarHBondContact O-N 3.22Å |
| 893 | E | 88.6 | Confident | 87.5 | Confident | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -58.9 | -52.2 | 168.6 | -72.6 | 176.9 | 149.8 | 0 | 0 | 109.4 | L889 L890 A895 L896 D897 | L889-E893 VanDerWaalsContact CD2-CD 3.46Å; L889-E893 HydrophobicContact CD2-CG 3.97Å; L889-E893 WeakPolarHBondContact CD2-OE1 3.31Å; L889-E893 WeakPolarHBondContact O-CG 3.48Å; L889-E893 PolarHBondContact O-N 2.82Å; L890-E893 PolarHBondContact O-N 3.46Å; E893-A895 PolarHBondContact O-N 3.29Å; E893-L896 CarbonylContact O-C 3.59Å; E893-L896 WeakPolarHBondContact O-CB 3.28Å; E893-L896 PolarHBondContact O-N 3.36Å; E893-L896 VanDerWaalsContact O-N 3.07Å; E893-D897 VanDerWaalsContact O-CB 3.28Å; E893-D897 WeakPolarHBondContact O-CB 3.3Å; E893-D897 PolarHBondContact O-N 3.22Å |
| 894 | S | 87.8 | Confident | 87.4 | Confident | 72 Ų | 72 | 98.4 Ų | 98.4 | 50% | 0.503 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.3 | -32.9 | 178.5 | 78.6 | 0 | 0 | 0 | 0 | 113.6 | L890 E891 D897 S898 | L890-S894 WeakPolarHBondContact O-CB 3.37Å; L890-S894 PolarHBondContact O-N 2.66Å; E891-S894 PolarHBondContact O-N 2.99Å; E891-S894 PolarHBondContact O-OG 3.45Å; S894-D897 WeakPolarHBondContact O-CB 3.39Å; S894-S898 PolarHBondContact O-N 2.89Å |
| 895 | A | 88.5 | Confident | 87.2 | Confident | 36 Ų | 36 | 99.8 Ų | 99.8 | 30% | 0.298 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.5 | -42.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | E891 R892 E893 D897 S898 M899 | E891-A895 WeakPolarHBondContact O-CB 3.4Å; E891-A895 PolarHBondContact O-N 2.97Å; R892-A895 PolarHBondContact O-N 2.87Å; E893-A895 PolarHBondContact O-N 3.29Å; A895-D897 VanDerWaalsContact C-N 3.26Å; A895-D897 PolarHBondContact O-N 2.97Å; A895-S898 WeakPolarHBondContact CA-OG 3.41Å; A895-S898 PolarHBondContact O-N 3.41Å; A895-S898 PolarHBondContact O-OG 2.81Å; A895-M899 WeakPolarHBondContact O-CB 3.46Å; A895-M899 WeakPolarHBondContact O-CG 3.5Å; A895-M899 PolarHBondContact O-N 2.8Å |
| 896 | L | 85 | Confident | 87 | Confident | 110 Ų | 110 | 102.1 Ų | 102.1 | 58% | 0.576 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62.2 | -36.9 | 171.5 | -75 | 168.7 | 0 | 0 | 0 | 111.2 | R892 E893 M899 S900 | R892-L896 WeakPolarHBondContact O-CB 3.46Å; R892-L896 WeakPolarHBondContact O-CG 3.18Å; R892-L896 PolarHBondContact O-N 3.22Å; E893-L896 CarbonylContact O-C 3.59Å; E893-L896 WeakPolarHBondContact O-CB 3.28Å; E893-L896 PolarHBondContact O-N 3.36Å; E893-L896 VanDerWaalsContact O-N 3.07Å; L896-M899 PolarHBondContact O-N 3.37Å; L896-S900 VanDerWaalsContact O-CB 3.28Å; L896-S900 WeakPolarHBondContact O-CB 3.29Å; L896-S900 PolarHBondContact O-N 2.86Å; L896-S900 PolarHBondContact O-OG 3.49Å |
| 897 | D | 86.9 | Confident | 86.7 | Confident | 80 Ų | 80 | 102.8 Ų | 102.8 | 43% | 0.428 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 176.3 | -141.7 | 46.5 | 0 | 0 | 0 | 111.1 | E893 S894 A895 R901 | E893-D897 VanDerWaalsContact O-CB 3.28Å; E893-D897 WeakPolarHBondContact O-CB 3.3Å; E893-D897 PolarHBondContact O-N 3.22Å; S894-D897 WeakPolarHBondContact O-CB 3.39Å; A895-D897 VanDerWaalsContact C-N 3.26Å; A895-D897 PolarHBondContact O-N 2.97Å; D897-R901 VanDerWaalsContact CG-NH1 3.26Å; D897-R901 WeakPolarHBondContact O-CG 3.42Å; D897-R901 PolarHBondContact O-N 2.85Å; D897-R901 PolarHBondContact O-NH1 2.77Å; D897-R901 IonicContact OD2-CZ 3.97Å; D897-R901 IonicContact OD2-NH1 2.67Å; D897-R901 PolarHBondContact OD2-NH1 3.13Å; D897-R901 IonicContact OD2-NH2 2.66Å; D897-R901 PolarHBondContact OD2-NH2 3.39Å |
| 898 | S | 87.8 | Confident | 86.5 | Confident | 54 Ų | 54 | 102.6 Ų | 102.6 | 38% | 0.378 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70 | -43.9 | 170.5 | 62.9 | 0 | 0 | 0 | 0 | 112.4 | S894 A895 S900 R901 E902 | S894-S898 PolarHBondContact O-N 2.89Å; A895-S898 WeakPolarHBondContact CA-OG 3.41Å; A895-S898 PolarHBondContact O-N 3.41Å; A895-S898 PolarHBondContact O-OG 2.81Å; S898-S900 VanDerWaalsContact C-N 3.29Å; S898-S900 PolarHBondContact O-N 3.37Å; S898-R901 PolarHBondContact O-N 3.22Å; S898-E902 WeakPolarHBondContact O-CG 3.48Å; S898-E902 PolarHBondContact O-N 3.2Å |
| 899 | M | 85.8 | Confident | 86.3 | Confident | 111 Ų | 111 | 103.4 Ų | 103.4 | 55% | 0.547 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.1 | -33.2 | 177.8 | -73.4 | 178.3 | 174.4 | 0 | 0 | 112 | A895 L896 E902 L903 | A895-M899 WeakPolarHBondContact O-CB 3.46Å; A895-M899 WeakPolarHBondContact O-CG 3.5Å; A895-M899 PolarHBondContact O-N 2.8Å; L896-M899 PolarHBondContact O-N 3.37Å; M899-E902 PolarHBondContact O-N 2.61Å; M899-L903 WeakPolarHBondContact O-CB 3.06Å; M899-L903 VanDerWaalsContact O-CG 3.28Å; M899-L903 WeakPolarHBondContact O-CG 3.25Å; M899-L903 PolarHBondContact O-N 2.76Å |
| 900 | S | 87 | Confident | 86 | Confident | 59 Ų | 59 | 104 Ų | 104 | 41% | 0.413 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -43 | 175.9 | -59.9 | 0 | 0 | 0 | 0 | 111.1 | L896 S898 L903 E904 | L896-S900 VanDerWaalsContact O-CB 3.28Å; L896-S900 WeakPolarHBondContact O-CB 3.29Å; L896-S900 PolarHBondContact O-N 2.86Å; L896-S900 PolarHBondContact O-OG 3.49Å; S898-S900 VanDerWaalsContact C-N 3.29Å; S898-S900 PolarHBondContact O-N 3.37Å; S900-L903 CarbonylContact O-C 3.56Å; S900-L903 PolarHBondContact O-N 2.75Å; S900-E904 WeakPolarHBondContact O-CG 3.48Å; S900-E904 PolarHBondContact O-N 2.74Å |
| 901 | R | 85.4 | Confident | 85.7 | Confident | 132 Ų | 132 | 102.4 Ų | 102.4 | 50% | 0.498 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65 | -37.2 | 172.5 | -68.3 | 175.5 | -170.5 | 97.5 | 1.5 | 112.4 | D897 S898 E904 L905 | D897-R901 VanDerWaalsContact CG-NH1 3.26Å; D897-R901 WeakPolarHBondContact O-CG 3.42Å; D897-R901 PolarHBondContact O-N 2.85Å; D897-R901 PolarHBondContact O-NH1 2.77Å; D897-R901 IonicContact OD2-CZ 3.97Å; D897-R901 IonicContact OD2-NH1 2.67Å; D897-R901 PolarHBondContact OD2-NH1 3.13Å; D897-R901 IonicContact OD2-NH2 2.66Å; D897-R901 PolarHBondContact OD2-NH2 3.39Å; S898-R901 PolarHBondContact O-N 3.22Å; R901-E904 PolarHBondContact O-N 2.78Å; R901-L905 WeakPolarHBondContact O-CB 3.49Å; R901-L905 VanDerWaalsContact O-CG 3.28Å; R901-L905 WeakPolarHBondContact O-CG 3.49Å; R901-L905 PolarHBondContact O-N 3.35Å |
| 902 | E | 87.5 | Confident | 85.4 | Confident | 109 Ų | 109 | 100.7 Ų | 100.7 | 51% | 0.509 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.8 | -42 | 171.6 | -74 | -177.5 | -178 | 0 | 0 | 111.4 | S898 M899 L905 F906 | S898-E902 WeakPolarHBondContact O-CG 3.48Å; S898-E902 PolarHBondContact O-N 3.2Å; M899-E902 PolarHBondContact O-N 2.61Å; E902-L905 CarbonylContact O-C 3.43Å; E902-L905 WeakPolarHBondContact O-CB 3.44Å; E902-L905 PolarHBondContact O-N 2.85Å; E902-F906 HydrophobicContact CB-CD2 4.46Å; E902-F906 HydrophobicContact CB-CE2 4.35Å; E902-F906 WeakPolarHBondContact O-CD2 3.45Å; E902-F906 PolarHBondContact O-N 2.77Å |
| 903 | L | 82.7 | Confident | 84.9 | Confident | 108 Ų | 108 | 96 Ų | 96 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65.9 | -36.7 | 174.9 | -75 | 169.4 | 0 | 0 | 0 | 112.7 | M899 S900 F906 T907 | M899-L903 WeakPolarHBondContact O-CB 3.06Å; M899-L903 VanDerWaalsContact O-CG 3.28Å; M899-L903 WeakPolarHBondContact O-CG 3.25Å; M899-L903 PolarHBondContact O-N 2.76Å; S900-L903 CarbonylContact O-C 3.56Å; S900-L903 PolarHBondContact O-N 2.75Å; L903-F906 PolarHBondContact O-N 3.38Å; L903-T907 VanDerWaalsContact O-CB 3.26Å; L903-T907 WeakPolarHBondContact O-CB 3.45Å; L903-T907 PolarHBondContact O-N 3.04Å; L903-T907 PolarHBondContact O-OG1 2.75Å |
| 904 | E | 85.8 | Confident | 84.6 | Confident | 135 Ų | 135 | 93.8 Ų | 93.8 | 63% | 0.631 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.2 | -39.9 | 170.3 | -73.4 | 179.4 | 154.5 | 0 | 0 | 111.6 | S900 R901 T907 S908 | S900-E904 WeakPolarHBondContact O-CG 3.48Å; S900-E904 PolarHBondContact O-N 2.74Å; R901-E904 PolarHBondContact O-N 2.78Å; E904-T907 PolarHBondContact O-N 2.89Å; E904-S908 WeakPolarHBondContact O-CB 3.32Å; E904-S908 PolarHBondContact O-N 3.33Å; E904-S908 PolarHBondContact O-OG 3.23Å |
| 905 | L | 86.2 | Confident | 84.2 | Confident | 115 Ų | 115 | 96.2 Ų | 96.2 | 60% | 0.602 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -67.6 | -37.1 | 174 | -73.3 | 169.4 | 0 | 0 | 0 | 112.5 | R901 E902 S908 R909 | R901-L905 WeakPolarHBondContact O-CB 3.49Å; R901-L905 VanDerWaalsContact O-CG 3.28Å; R901-L905 WeakPolarHBondContact O-CG 3.49Å; R901-L905 PolarHBondContact O-N 3.35Å; E902-L905 CarbonylContact O-C 3.43Å; E902-L905 WeakPolarHBondContact O-CB 3.44Å; E902-L905 PolarHBondContact O-N 2.85Å; L905-S908 WeakPolarHBondContact CA-OG 3.4Å; L905-S908 PolarHBondContact O-OG 3.43Å; L905-R909 WeakPolarHBondContact O-CB 3.35Å; L905-R909 PolarHBondContact O-N 3.34Å |
| 906 | F | 82.2 | Confident | 83.8 | Confident | 125 Ų | 125 | 97.1 Ų | 97.1 | 55% | 0.548 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.8 | -37.2 | 172.7 | -75.7 | -60.5 | 0 | 0 | 0 | 112.2 | E902 L903 R909 L910 | E902-F906 HydrophobicContact CB-CD2 4.46Å; E902-F906 HydrophobicContact CB-CE2 4.35Å; E902-F906 WeakPolarHBondContact O-CD2 3.45Å; E902-F906 PolarHBondContact O-N 2.77Å; L903-F906 PolarHBondContact O-N 3.38Å; F906-R909 WeakPolarHBondContact O-CB 3.19Å; F906-R909 PolarHBondContact O-N 3.38Å; F906-L910 WeakPolarHBondContact O-CB 3.46Å; F906-L910 PolarHBondContact O-N 2.81Å |
| 907 | T | 84.3 | Confident | 83.5 | Confident | 79 Ų | 79 | 96.3 Ų | 96.3 | 49% | 0.485 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.9 | -45.8 | 178 | -56.8 | 0 | 0 | 0 | 0 | 111 | L903 E904 R909 L910 D911 | L903-T907 VanDerWaalsContact O-CB 3.26Å; L903-T907 WeakPolarHBondContact O-CB 3.45Å; L903-T907 PolarHBondContact O-N 3.04Å; L903-T907 PolarHBondContact O-OG1 2.75Å; E904-T907 PolarHBondContact O-N 2.89Å; T907-R909 VanDerWaalsContact C-N 3.32Å; T907-R909 PolarHBondContact O-N 2.97Å; T907-L910 CarbonylContact O-C 3.57Å; T907-L910 WeakPolarHBondContact O-CA 3.44Å; T907-L910 WeakPolarHBondContact O-CB 3.49Å; T907-L910 PolarHBondContact O-N 2.89Å; T907-L910 VanDerWaalsContact O-N 3.08Å; T907-D911 PolarHBondContact O-N 3.48Å |
| 908 | S | 83.2 | Confident | 83.1 | Confident | 56 Ų | 56 | 96 Ų | 96 | 39% | 0.392 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -35.5 | 173.8 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | E904 L905 T912 | E904-S908 WeakPolarHBondContact O-CB 3.32Å; E904-S908 PolarHBondContact O-N 3.33Å; E904-S908 PolarHBondContact O-OG 3.23Å; L905-S908 WeakPolarHBondContact CA-OG 3.4Å; L905-S908 PolarHBondContact O-OG 3.43Å; S908-T912 WeakPolarHBondContact O-CG2 3.45Å; S908-T912 PolarHBondContact O-N 3.34Å; S908-T912 PolarHBondContact O-OG1 2.78Å |
| 909 | R | 85.7 | Confident | 82.7 | Confident | 172 Ų | 172 | 99.2 Ų | 99.2 | 65% | 0.649 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -59.8 | -49.5 | 166.6 | -94.1 | 179.5 | 147.6 | 172.8 | -6.4 | 111.8 | L905 F906 T907 D911 T912 T913 | L905-R909 WeakPolarHBondContact O-CB 3.35Å; L905-R909 PolarHBondContact O-N 3.34Å; F906-R909 WeakPolarHBondContact O-CB 3.19Å; F906-R909 PolarHBondContact O-N 3.38Å; T907-R909 VanDerWaalsContact C-N 3.32Å; T907-R909 PolarHBondContact O-N 2.97Å; R909-D911 VanDerWaalsContact C-N 3.31Å; R909-D911 PolarHBondContact O-N 3.37Å; R909-T912 WeakPolarHBondContact CA-OG1 3.5Å; R909-T912 PolarHBondContact O-N 3.42Å; R909-T912 VanDerWaalsContact O-N 3.07Å; R909-T912 PolarHBondContact O-OG1 3.02Å; R909-T913 PolarHBondContact O-N 2.61Å; R909-T913 PolarHBondContact O-OG1 2.81Å |
| 910 | L | 81.6 | Confident | 82.3 | Confident | 111 Ų | 111 | 97.3 Ų | 97.3 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -59.7 | -41.7 | -179.7 | -170.5 | 137.1 | 0 | 0 | 0 | 111.3 | F906 T907 T913 S914 | F906-L910 WeakPolarHBondContact O-CB 3.46Å; F906-L910 PolarHBondContact O-N 2.81Å; T907-L910 CarbonylContact O-C 3.57Å; T907-L910 WeakPolarHBondContact O-CA 3.44Å; T907-L910 WeakPolarHBondContact O-CB 3.49Å; T907-L910 PolarHBondContact O-N 2.89Å; T907-L910 VanDerWaalsContact O-N 3.08Å; L910-T913 VanDerWaalsContact CA-OG1 3.32Å; L910-T913 WeakPolarHBondContact CA-OG1 3.38Å; L910-T913 PolarHBondContact O-N 3.09Å; L910-T913 PolarHBondContact O-OG1 3.24Å; L910-S914 WeakPolarHBondContact O-CB 3.42Å; L910-S914 PolarHBondContact O-N 3.47Å |
| 911 | D | 81.9 | Confident | 81.8 | Confident | 80 Ų | 80 | 99.1 Ų | 99.1 | 43% | 0.428 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61 | -43 | 171.4 | -85.9 | -8.6 | 0 | 0 | 0 | 112.7 | T907 R909 S914 K915 | T907-D911 PolarHBondContact O-N 3.48Å; R909-D911 VanDerWaalsContact C-N 3.31Å; R909-D911 PolarHBondContact O-N 3.37Å; D911-S914 PolarHBondContact O-N 2.94Å; D911-K915 WeakPolarHBondContact O-CB 3.39Å; D911-K915 VanDerWaalsContact O-CG 3.3Å; D911-K915 WeakPolarHBondContact O-CG 3.48Å; D911-K915 PolarHBondContact O-N 3.35Å |
| 912 | T | 82.7 | Confident | 81.5 | Confident | 85 Ų | 85 | 95.6 Ų | 95.6 | 52% | 0.521 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67 | -39.4 | 175.6 | 56.3 | 0 | 0 | 0 | 0 | 112.2 | S908 R909 K915 S916 | S908-T912 WeakPolarHBondContact O-CG2 3.45Å; S908-T912 PolarHBondContact O-N 3.34Å; S908-T912 PolarHBondContact O-OG1 2.78Å; R909-T912 WeakPolarHBondContact CA-OG1 3.5Å; R909-T912 PolarHBondContact O-N 3.42Å; R909-T912 VanDerWaalsContact O-N 3.07Å; R909-T912 PolarHBondContact O-OG1 3.02Å; T912-K915 PolarHBondContact O-N 3.12Å; T912-S916 PolarHBondContact O-N 3.44Å; T912-S916 PolarHBondContact O-OG 2.77Å |
| 913 | T | 77 | Confident | 81 | Confident | 84 Ų | 84 | 96.5 Ų | 96.5 | 52% | 0.515 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.9 | -36.5 | 175 | 49.9 | 0 | 0 | 0 | 0 | 111.9 | R909 L910 S916 L917 | R909-T913 PolarHBondContact O-N 2.61Å; R909-T913 PolarHBondContact O-OG1 2.81Å; L910-T913 VanDerWaalsContact CA-OG1 3.32Å; L910-T913 WeakPolarHBondContact CA-OG1 3.38Å; L910-T913 PolarHBondContact O-N 3.09Å; L910-T913 PolarHBondContact O-OG1 3.24Å; T913-S916 WeakPolarHBondContact CA-OG 3.44Å; T913-S916 PolarHBondContact O-N 2.93Å; T913-S916 PolarHBondContact O-OG 3.2Å; T913-L917 VanDerWaalsContact O-CB 3.32Å; T913-L917 WeakPolarHBondContact O-CB 3.35Å; T913-L917 PolarHBondContact O-N 2.81Å |
| 914 | S | 81.4 | Confident | 80.8 | Confident | 57 Ų | 57 | 97 Ų | 97 | 40% | 0.399 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.8 | -45.1 | 175.5 | -177.1 | 0 | 0 | 0 | 0 | 111 | L910 D911 L917 T918 | L910-S914 WeakPolarHBondContact O-CB 3.42Å; L910-S914 PolarHBondContact O-N 3.47Å; D911-S914 PolarHBondContact O-N 2.94Å; S914-L917 WeakPolarHBondContact O-CB 3.31Å; S914-L917 PolarHBondContact O-N 2.75Å; S914-T918 WeakPolarHBondContact O-CG2 3.37Å; S914-T918 PolarHBondContact O-N 3.28Å; S914-T918 PolarHBondContact O-OG1 3.04Å |
| 915 | K | 80.3 | Confident | 80.5 | Confident | 123 Ų | 123 | 96 Ų | 96 | 54% | 0.535 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -58.3 | -51.6 | 171.8 | -75.1 | 165.9 | -174.8 | 165 | 0 | 111.4 | D911 T912 L917 T918 E919 | D911-K915 WeakPolarHBondContact O-CB 3.39Å; D911-K915 VanDerWaalsContact O-CG 3.3Å; D911-K915 WeakPolarHBondContact O-CG 3.48Å; D911-K915 PolarHBondContact O-N 3.35Å; T912-K915 PolarHBondContact O-N 3.12Å; K915-L917 PolarHBondContact O-N 2.65Å; K915-T918 WeakPolarHBondContact CA-OG1 3.26Å; K915-T918 PolarHBondContact O-N 2.83Å; K915-T918 VanDerWaalsContact O-N 3.14Å; K915-T918 PolarHBondContact O-OG1 2.85Å; K915-E919 WeakPolarHBondContact O-CB 3.4Å; K915-E919 WeakPolarHBondContact O-CG 3.35Å; K915-E919 PolarHBondContact O-N 3.48Å |
| 916 | S | 78.5 | Confident | 80.1 | Confident | 55 Ų | 55 | 95.5 Ų | 95.5 | 39% | 0.385 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.1 | -32.4 | 176.8 | 67.8 | 0 | 0 | 0 | 0 | 112.9 | T912 T913 E919 T920 | T912-S916 PolarHBondContact O-N 3.44Å; T912-S916 PolarHBondContact O-OG 2.77Å; T913-S916 WeakPolarHBondContact CA-OG 3.44Å; T913-S916 PolarHBondContact O-N 2.93Å; T913-S916 PolarHBondContact O-OG 3.2Å; S916-E919 PolarHBondContact O-N 2.82Å; S916-T920 WeakPolarHBondContact O-CG2 3.5Å; S916-T920 PolarHBondContact O-N 3.2Å; S916-T920 PolarHBondContact O-OG1 2.85Å |
| 917 | L | 78.8 | Confident | 79.8 | Confident | 93 Ų | 93 | 93.3 Ų | 93.3 | 49% | 0.487 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -51.7 | 174 | -176.2 | 65.3 | 0 | 0 | 0 | 109.9 | T913 S914 K915 E919 T920 E921 | T913-L917 VanDerWaalsContact O-CB 3.32Å; T913-L917 WeakPolarHBondContact O-CB 3.35Å; T913-L917 PolarHBondContact O-N 2.81Å; S914-L917 WeakPolarHBondContact O-CB 3.31Å; S914-L917 PolarHBondContact O-N 2.75Å; K915-L917 PolarHBondContact O-N 2.65Å; L917-E919 PolarHBondContact O-N 2.91Å; L917-T920 WeakPolarHBondContact CA-OG1 3.32Å; L917-T920 CarbonylContact O-C 3.6Å; L917-T920 PolarHBondContact O-N 3.27Å; L917-T920 PolarHBondContact O-OG1 2.88Å; L917-E921 HydrophobicContact CG-CG 4.42Å; L917-E921 WeakPolarHBondContact O-CB 3.09Å; L917-E921 WeakPolarHBondContact O-CG 3.45Å; L917-E921 PolarHBondContact O-N 3.09Å |
| 918 | T | 80.1 | Confident | 79.5 | Confident | 73 Ų | 73 | 94.7 Ų | 94.7 | 45% | 0.448 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.9 | -30.3 | 177 | 57.7 | 0 | 0 | 0 | 0 | 113.4 | S914 K915 A922 | S914-T918 WeakPolarHBondContact O-CG2 3.37Å; S914-T918 PolarHBondContact O-N 3.28Å; S914-T918 PolarHBondContact O-OG1 3.04Å; K915-T918 WeakPolarHBondContact CA-OG1 3.26Å; K915-T918 PolarHBondContact O-N 2.83Å; K915-T918 VanDerWaalsContact O-N 3.14Å; K915-T918 PolarHBondContact O-OG1 2.85Å; T918-A922 WeakPolarHBondContact O-CB 2.96Å; T918-A922 PolarHBondContact O-N 2.87Å |
| 919 | E | 79.3 | Confident | 79.3 | Confident | 122 Ų | 122 | 97.3 Ų | 97.3 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -67.9 | -47.9 | 171.5 | -72.4 | 166.8 | 172.2 | 0 | 0 | 110.4 | K915 S916 L917 E921 A922 E923 | K915-E919 WeakPolarHBondContact O-CB 3.4Å; K915-E919 WeakPolarHBondContact O-CG 3.35Å; K915-E919 PolarHBondContact O-N 3.48Å; S916-E919 PolarHBondContact O-N 2.82Å; L917-E919 PolarHBondContact O-N 2.91Å; E919-E921 VanDerWaalsContact C-N 3.33Å; E919-E921 PolarHBondContact O-N 3.32Å; E919-A922 WeakPolarHBondContact O-CB 3.12Å; E919-A922 PolarHBondContact O-N 2.97Å; E919-E923 WeakPolarHBondContact O-CG 3.37Å; E919-E923 PolarHBondContact O-N 3.28Å |
| 920 | T | 77.5 | Confident | 78.9 | Confident | 71 Ų | 71 | 94.2 Ų | 94.2 | 44% | 0.436 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.6 | -29.1 | 174.1 | 58.5 | 0 | 0 | 0 | 0 | 113.8 | S916 L917 L924 | S916-T920 WeakPolarHBondContact O-CG2 3.5Å; S916-T920 PolarHBondContact O-N 3.2Å; S916-T920 PolarHBondContact O-OG1 2.85Å; L917-T920 WeakPolarHBondContact CA-OG1 3.32Å; L917-T920 CarbonylContact O-C 3.6Å; L917-T920 PolarHBondContact O-N 3.27Å; L917-T920 PolarHBondContact O-OG1 2.88Å; T920-L924 VanDerWaalsContact O-CB 3.27Å; T920-L924 WeakPolarHBondContact O-CB 3.44Å; T920-L924 PolarHBondContact O-N 2.84Å |
| 921 | E | 76.3 | Confident | 78.7 | Confident | 97 Ų | 97 | 95.9 Ų | 95.9 | 45% | 0.453 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.4 | -36 | 172.7 | -73.4 | -179.8 | 153.3 | 0 | 0 | 111.2 | L917 E919 L924 L925 | L917-E921 HydrophobicContact CG-CG 4.42Å; L917-E921 WeakPolarHBondContact O-CB 3.09Å; L917-E921 WeakPolarHBondContact O-CG 3.45Å; L917-E921 PolarHBondContact O-N 3.09Å; E919-E921 VanDerWaalsContact C-N 3.33Å; E919-E921 PolarHBondContact O-N 3.32Å; E921-L924 PolarHBondContact O-N 3.46Å; E921-L925 WeakPolarHBondContact O-CB 3.34Å; E921-L925 VanDerWaalsContact O-CG 3.3Å; E921-L925 WeakPolarHBondContact O-CG 3.48Å; E921-L925 PolarHBondContact O-N 3.5Å |
| 922 | A | 77.8 | Confident | 78.5 | Confident | 57 Ų | 57 | 96.1 Ų | 96.1 | 47% | 0.471 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.5 | -41.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | T918 E919 L925 E926 | T918-A922 WeakPolarHBondContact O-CB 2.96Å; T918-A922 PolarHBondContact O-N 2.87Å; E919-A922 WeakPolarHBondContact O-CB 3.12Å; E919-A922 PolarHBondContact O-N 2.97Å; A922-L925 PolarHBondContact O-N 2.77Å; A922-E926 WeakPolarHBondContact O-CB 3.36Å; A922-E926 PolarHBondContact O-N 2.77Å |
| 923 | E | 78.4 | Confident | 78.2 | Confident | 128 Ų | 128 | 96.4 Ų | 96.4 | 60% | 0.598 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -63.7 | -38 | 171.2 | -70.8 | -175.6 | 167.7 | 0 | 0 | 112 | E919 E926 T927 | E919-E923 WeakPolarHBondContact O-CG 3.37Å; E919-E923 PolarHBondContact O-N 3.28Å; E923-E926 PolarHBondContact O-N 2.85Å; E923-T927 WeakPolarHBondContact O-CB 3.49Å; E923-T927 WeakPolarHBondContact O-CG2 3.39Å; E923-T927 PolarHBondContact O-N 3.42Å; E923-T927 PolarHBondContact O-OG1 2.69Å |
| 924 | L | 77.6 | Confident | 78.1 | Confident | 118 Ų | 118 | 96 Ų | 96 | 62% | 0.618 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -64.5 | -41.8 | 174.1 | -166.1 | 88.6 | 0 | 0 | 0 | 111.2 | T920 E921 T927 K928 | T920-L924 VanDerWaalsContact O-CB 3.27Å; T920-L924 WeakPolarHBondContact O-CB 3.44Å; T920-L924 PolarHBondContact O-N 2.84Å; E921-L924 PolarHBondContact O-N 3.46Å; L924-T927 WeakPolarHBondContact CA-OG1 3.49Å; L924-T927 PolarHBondContact O-OG1 3.46Å; L924-T927 VanDerWaalsContact O-OG1 3.08Å; L924-K928 WeakPolarHBondContact O-CB 3.28Å; L924-K928 PolarHBondContact O-N 2.8Å |
| 925 | L | 78.9 | Confident | 77.8 | Confident | 115 Ų | 115 | 97.6 Ų | 97.6 | 60% | 0.602 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.5 | -39.3 | 175.6 | -75 | 170.4 | 0 | 0 | 0 | 111.9 | E921 A922 K928 H929 | E921-L925 WeakPolarHBondContact O-CB 3.34Å; E921-L925 VanDerWaalsContact O-CG 3.3Å; E921-L925 WeakPolarHBondContact O-CG 3.48Å; E921-L925 PolarHBondContact O-N 3.5Å; A922-L925 PolarHBondContact O-N 2.77Å; L925-K928 PolarHBondContact O-N 3.19Å; L925-H929 WeakPolarHBondContact O-CB 3.47Å; L925-H929 PolarHBondContact O-N 3.08Å |
| 926 | E | 77.9 | Confident | 77.5 | Confident | 105 Ų | 105 | 94.5 Ų | 94.5 | 49% | 0.491 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.9 | -39.4 | 177.2 | -153.6 | -144.9 | 168.4 | 0 | 0 | 111.5 | A922 E923 H929 K930 | A922-E926 WeakPolarHBondContact O-CB 3.36Å; A922-E926 PolarHBondContact O-N 2.77Å; E923-E926 PolarHBondContact O-N 2.85Å; E926-H929 PolarHBondContact O-N 2.87Å; E926-K930 WeakPolarHBondContact O-CB 3.47Å; E926-K930 WeakPolarHBondContact O-CD 3.29Å; E926-K930 WeakPolarHBondContact O-CG 3.19Å; E926-K930 PolarHBondContact O-N 3.36Å; E926-K930 WeakPolarHBondContact OE1-CE 3.28Å; E926-K930 IonicContact OE1-NZ 2.68Å; E926-K930 PolarHBondContact OE1-NZ 2.86Å; E926-K930 IonicContact OE2-NZ 3.41Å; E926-K930 PolarHBondContact OE2-NZ 2.77Å |
| 927 | T | 77 | Confident | 77.4 | Confident | 78 Ų | 78 | 98.9 Ų | 98.9 | 48% | 0.479 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69.3 | -36.1 | 173.1 | 51.5 | 0 | 0 | 0 | 0 | 112.3 | E923 L924 K930 Y931 | E923-T927 WeakPolarHBondContact O-CB 3.49Å; E923-T927 WeakPolarHBondContact O-CG2 3.39Å; E923-T927 PolarHBondContact O-N 3.42Å; E923-T927 PolarHBondContact O-OG1 2.69Å; L924-T927 WeakPolarHBondContact CA-OG1 3.49Å; L924-T927 PolarHBondContact O-OG1 3.46Å; L924-T927 VanDerWaalsContact O-OG1 3.08Å; T927-K930 PolarHBondContact O-N 3.25Å; T927-Y931 WeakPolarHBondContact O-CB 3.36Å; T927-Y931 PolarHBondContact O-N 2.96Å |
| 928 | K | 77.1 | Confident | 77.1 | Confident | 109 Ų | 109 | 97 Ų | 97 | 47% | 0.474 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 170.3 | -175.2 | 173.6 | -174.7 | -81.9 | 0 | 111.7 | L924 L925 K930 Y931 E932 | L924-K928 WeakPolarHBondContact O-CB 3.28Å; L924-K928 PolarHBondContact O-N 2.8Å; L925-K928 PolarHBondContact O-N 3.19Å; K928-K930 PolarHBondContact O-N 3.36Å; K928-Y931 CarbonylContact O-C 3.56Å; K928-Y931 WeakPolarHBondContact O-CB 3.41Å; K928-Y931 PolarHBondContact O-N 3.07Å; K928-Y931 VanDerWaalsContact O-N 3.15Å; K928-E932 WeakPolarHBondContact CE-OE1 3.31Å; K928-E932 IonicContact NZ-OE1 2.73Å; K928-E932 PolarHBondContact NZ-OE1 3.34Å; K928-E932 WeakPolarHBondContact O-CB 3.44Å; K928-E932 WeakPolarHBondContact O-CG 3.33Å; K928-E932 PolarHBondContact O-N 2.9Å |
| 929 | H | 78.5 | Confident | 76.7 | Confident | 111 Ų | 111 | 96.6 Ų | 96.6 | 51% | 0.514 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.9 | -35.3 | 175.6 | -171.6 | -100.2 | 0 | 0 | 0 | 112.1 | L925 E926 L933 | L925-H929 WeakPolarHBondContact O-CB 3.47Å; L925-H929 PolarHBondContact O-N 3.08Å; E926-H929 PolarHBondContact O-N 2.87Å; H929-L933 WeakPolarHBondContact O-CB 3.33Å; H929-L933 WeakPolarHBondContact O-CG 3.45Å; H929-L933 PolarHBondContact O-N 3.1Å |
| 930 | K | 78.8 | Confident | 76.4 | Confident | 107 Ų | 107 | 97.1 Ų | 97.1 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.4 | -38.2 | 169.6 | -73.4 | 161.8 | -177.9 | 167.9 | 0 | 112 | E926 T927 K928 S934 | E926-K930 WeakPolarHBondContact O-CB 3.47Å; E926-K930 WeakPolarHBondContact O-CD 3.29Å; E926-K930 WeakPolarHBondContact O-CG 3.19Å; E926-K930 PolarHBondContact O-N 3.36Å; E926-K930 WeakPolarHBondContact OE1-CE 3.28Å; E926-K930 IonicContact OE1-NZ 2.68Å; E926-K930 PolarHBondContact OE1-NZ 2.86Å; E926-K930 IonicContact OE2-NZ 3.41Å; E926-K930 PolarHBondContact OE2-NZ 2.77Å; T927-K930 PolarHBondContact O-N 3.25Å; K928-K930 PolarHBondContact O-N 3.36Å; K930-S934 WeakPolarHBondContact O-CB 3.48Å; K930-S934 PolarHBondContact O-N 2.83Å |
| 931 | Y | 77 | Confident | 76.1 | Confident | 146 Ų | 146 | 99.8 Ų | 99.8 | 57% | 0.573 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.7 | -48.4 | 173.8 | 177.4 | -86.6 | 0 | 0 | 0 | 111.4 | T927 K928 L933 S934 E935 | T927-Y931 WeakPolarHBondContact O-CB 3.36Å; T927-Y931 PolarHBondContact O-N 2.96Å; K928-Y931 CarbonylContact O-C 3.56Å; K928-Y931 WeakPolarHBondContact O-CB 3.41Å; K928-Y931 PolarHBondContact O-N 3.07Å; K928-Y931 VanDerWaalsContact O-N 3.15Å; Y931-L933 VanDerWaalsContact C-N 3.32Å; Y931-L933 PolarHBondContact O-N 2.86Å; Y931-S934 CarbonylContact O-C 3.6Å; Y931-S934 WeakPolarHBondContact O-CA 3.38Å; Y931-S934 VanDerWaalsContact O-CB 3.3Å; Y931-S934 WeakPolarHBondContact O-CB 3.47Å; Y931-S934 PolarHBondContact O-N 3.29Å; Y931-E935 HydrophobicContact CE1-CB 4.38Å; Y931-E935 VanDerWaalsContact CE1-OE2 3.32Å; Y931-E935 WeakPolarHBondContact CE1-OE2 3.35Å; Y931-E935 PolarHBondContact O-N 3.23Å |
| 932 | E | 77.9 | Confident | 75.8 | Confident | 85 Ų | 85 | 101 Ų | 101 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.5 | -38.6 | 176.7 | -72.6 | 169.1 | -177.9 | 0 | 0 | 111.7 | K928 S934 E935 A936 | K928-E932 WeakPolarHBondContact CE-OE1 3.31Å; K928-E932 IonicContact NZ-OE1 2.73Å; K928-E932 PolarHBondContact NZ-OE1 3.34Å; K928-E932 WeakPolarHBondContact O-CB 3.44Å; K928-E932 WeakPolarHBondContact O-CG 3.33Å; K928-E932 PolarHBondContact O-N 2.9Å; E932-S934 VanDerWaalsContact C-N 3.32Å; E932-S934 PolarHBondContact O-N 3.34Å; E932-E935 PolarHBondContact O-N 3.49Å; E932-A936 VanDerWaalsContact O-CB 3.27Å; E932-A936 WeakPolarHBondContact O-CB 3.48Å; E932-A936 PolarHBondContact O-N 3.43Å |
| 933 | L | 76.7 | Confident | 75.2 | Confident | 90 Ų | 90 | 101.8 Ų | 101.8 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -66.2 | -30.2 | 170.4 | -80.8 | 168.8 | 0 | 0 | 0 | 113.6 | H929 Y931 K937 | H929-L933 WeakPolarHBondContact O-CB 3.33Å; H929-L933 WeakPolarHBondContact O-CG 3.45Å; H929-L933 PolarHBondContact O-N 3.1Å; Y931-L933 VanDerWaalsContact C-N 3.32Å; Y931-L933 PolarHBondContact O-N 2.86Å; L933-K937 VanDerWaalsContact O-CG 3.31Å; L933-K937 WeakPolarHBondContact O-CG 3.41Å; L933-K937 PolarHBondContact O-N 3.23Å |
| 934 | S | 74.3 | Confident | 74.8 | Confident | 76 Ų | 76 | 99.6 Ų | 99.6 | 53% | 0.531 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.8 | -40.2 | 174.5 | -167.1 | 0 | 0 | 0 | 0 | 111.5 | K930 Y931 E932 K937 A938 | K930-S934 WeakPolarHBondContact O-CB 3.48Å; K930-S934 PolarHBondContact O-N 2.83Å; Y931-S934 CarbonylContact O-C 3.6Å; Y931-S934 WeakPolarHBondContact O-CA 3.38Å; Y931-S934 VanDerWaalsContact O-CB 3.3Å; Y931-S934 WeakPolarHBondContact O-CB 3.47Å; Y931-S934 PolarHBondContact O-N 3.29Å; E932-S934 VanDerWaalsContact C-N 3.32Å; E932-S934 PolarHBondContact O-N 3.34Å; S934-K937 PolarHBondContact O-N 2.84Å; S934-A938 WeakPolarHBondContact O-CB 3.22Å; S934-A938 PolarHBondContact O-N 3.44Å |
| 935 | E | 74.8 | Confident | 73.9 | Confident | 90 Ų | 90 | 99.5 Ų | 99.5 | 42% | 0.421 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.5 | -38.3 | 175.1 | -178 | 163.3 | -148.2 | 0 | 0 | 111.5 | Y931 E932 K937 A938 N939 | Y931-E935 HydrophobicContact CE1-CB 4.38Å; Y931-E935 VanDerWaalsContact CE1-OE2 3.32Å; Y931-E935 WeakPolarHBondContact CE1-OE2 3.35Å; Y931-E935 PolarHBondContact O-N 3.23Å; E932-E935 PolarHBondContact O-N 3.49Å; E935-K937 VanDerWaalsContact C-N 3.35Å; E935-K937 PolarHBondContact O-N 3.05Å; E935-A938 PolarHBondContact O-N 2.97Å; E935-N939 WeakPolarHBondContact CG-ND2 3.49Å; E935-N939 WeakPolarHBondContact O-CB 3.43Å; E935-N939 PolarHBondContact O-N 2.9Å; E935-N939 PolarHBondContact O-ND2 3.34Å; E935-N939 VanDerWaalsContact O-ND2 3.09Å |
| 936 | A | 75 | Confident | 73.3 | Confident | 58 Ų | 58 | 98.5 Ų | 98.5 | 48% | 0.479 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62 | -39.8 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | E932 K940 | E932-A936 VanDerWaalsContact O-CB 3.27Å; E932-A936 WeakPolarHBondContact O-CB 3.48Å; E932-A936 PolarHBondContact O-N 3.43Å; A936-K940 WeakPolarHBondContact O-CB 3.28Å; A936-K940 PolarHBondContact O-N 2.8Å |
| 937 | K | 76.5 | Confident | 72.6 | Confident | 147 Ų | 147 | 99.9 Ų | 99.9 | 64% | 0.639 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.5 | -43.7 | 173.6 | -76.1 | 170.6 | -178.2 | 175.2 | 0 | 112.2 | L933 S934 E935 K940 Q941 | L933-K937 VanDerWaalsContact O-CG 3.31Å; L933-K937 WeakPolarHBondContact O-CG 3.41Å; L933-K937 PolarHBondContact O-N 3.23Å; S934-K937 PolarHBondContact O-N 2.84Å; E935-K937 VanDerWaalsContact C-N 3.35Å; E935-K937 PolarHBondContact O-N 3.05Å; K937-K940 PolarHBondContact O-N 3.33Å; K937-Q941 WeakPolarHBondContact O-CG 3.26Å; K937-Q941 PolarHBondContact O-N 3.35Å |
| 938 | A | 71.9 | Confident | 71.6 | Confident | 53 Ų | 53 | 104.2 Ų | 104.2 | 44% | 0.438 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -63.7 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | S934 E935 Q941 K942 | S934-A938 WeakPolarHBondContact O-CB 3.22Å; S934-A938 PolarHBondContact O-N 3.44Å; E935-A938 PolarHBondContact O-N 2.97Å; A938-Q941 PolarHBondContact O-N 2.87Å; A938-K942 WeakPolarHBondContact O-CB 3.48Å; A938-K942 PolarHBondContact O-N 2.67Å |
| 939 | N | 70.3 | Confident | 70.8 | Confident | 66 Ų | 66 | 105.3 Ų | 105.3 | 35% | 0.353 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.8 | -36.6 | 175.1 | -76.9 | -49.7 | 0 | 0 | 0 | 112.1 | E935 Q941 K942 D943 | E935-N939 WeakPolarHBondContact CG-ND2 3.49Å; E935-N939 WeakPolarHBondContact O-CB 3.43Å; E935-N939 PolarHBondContact O-N 2.9Å; E935-N939 PolarHBondContact O-ND2 3.34Å; E935-N939 VanDerWaalsContact O-ND2 3.09Å; N939-Q941 PolarHBondContact O-N 2.6Å; N939-K942 WeakPolarHBondContact O-CB 3.47Å; N939-K942 PolarHBondContact O-N 2.87Å; N939-D943 PolarHBondContact O-N 2.82Å |
| 940 | K | 74.3 | Confident | 69.9 | Low | 132 Ų | 132 | 105.1 Ų | 105.1 | 57% | 0.574 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.1 | -44.2 | 172.7 | -163.9 | -176.8 | -176.1 | -109.8 | 0 | 112.1 | A936 K937 K942 D943 E944 | A936-K940 WeakPolarHBondContact O-CB 3.28Å; A936-K940 PolarHBondContact O-N 2.8Å; K937-K940 PolarHBondContact O-N 3.33Å; K940-K942 VanDerWaalsContact C-N 3.28Å; K940-K942 PolarHBondContact O-N 3.49Å; K940-D943 PolarHBondContact O-N 2.79Å; K940-E944 WeakPolarHBondContact CE-OE1 3.2Å; K940-E944 IonicContact NZ-OE1 3.59Å; K940-E944 PolarHBondContact NZ-OE1 3.01Å; K940-E944 WeakPolarHBondContact O-CB 3.22Å; K940-E944 WeakPolarHBondContact O-CG 3.38Å; K940-E944 PolarHBondContact O-N 3.34Å |
| 941 | Q | 70.3 | Confident | 69 | Low | 128 Ų | 128 | 103.6 Ų | 103.6 | 60% | 0.598 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64 | -33.9 | 175 | -72.1 | 178 | -30 | 0 | 0 | 112.4 | K937 A938 N939 L945 | K937-Q941 WeakPolarHBondContact O-CG 3.26Å; K937-Q941 PolarHBondContact O-N 3.35Å; A938-Q941 PolarHBondContact O-N 2.87Å; N939-Q941 PolarHBondContact O-N 2.6Å; Q941-L945 WeakPolarHBondContact O-CG 3.15Å; Q941-L945 PolarHBondContact O-N 3.19Å |
| 942 | K | 70.5 | Confident | 67.7 | Low | 121 Ų | 121 | 102.7 Ų | 102.7 | 53% | 0.526 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -67.8 | -36.4 | 174.6 | -170.8 | 179.2 | -176.7 | 178.7 | 0 | 112.6 | A938 N939 K940 K946 | A938-K942 WeakPolarHBondContact O-CB 3.48Å; A938-K942 PolarHBondContact O-N 2.67Å; N939-K942 WeakPolarHBondContact O-CB 3.47Å; N939-K942 PolarHBondContact O-N 2.87Å; K940-K942 VanDerWaalsContact C-N 3.28Å; K940-K942 PolarHBondContact O-N 3.49Å; K942-K946 WeakPolarHBondContact O-CG 3.01Å; K942-K946 PolarHBondContact O-N 3.18Å; K942-K946 VanDerWaalsContact O-N 3.13Å |
| 943 | D | 66.3 | Low | 66.5 | Low | 74 Ų | 74 | 102.3 Ų | 102.3 | 40% | 0.396 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -80.4 | -30.8 | 175.7 | -71 | -25.8 | 0 | 0 | 0 | 112.7 | N939 K940 L945 K946 Q947 | N939-D943 PolarHBondContact O-N 2.82Å; K940-D943 PolarHBondContact O-N 2.79Å; D943-L945 VanDerWaalsContact C-N 3.33Å; D943-K946 PolarHBondContact O-N 3.03Å; D943-K946 WeakPolarHBondContact OD1-CD 3.35Å; D943-K946 WeakPolarHBondContact OD1-CE 3.45Å; D943-K946 IonicContact OD1-NZ 3.86Å; D943-K946 PolarHBondContact OD1-NZ 2.76Å; D943-Q947 WeakPolarHBondContact O-CG 3.43Å; D943-Q947 PolarHBondContact O-N 3.3Å |
| 944 | E | 68.3 | Low | 65.2 | Low | 82 Ų | 82 | 100.9 Ų | 100.9 | 38% | 0.383 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -61.6 | -41 | 167 | -73.9 | 168 | -178.6 | 0 | 0 | 110.8 | K940 Q947 Y948 | K940-E944 WeakPolarHBondContact CE-OE1 3.2Å; K940-E944 IonicContact NZ-OE1 3.59Å; K940-E944 PolarHBondContact NZ-OE1 3.01Å; K940-E944 WeakPolarHBondContact O-CB 3.22Å; K940-E944 WeakPolarHBondContact O-CG 3.38Å; K940-E944 PolarHBondContact O-N 3.34Å; E944-Q947 PolarHBondContact O-N 2.79Å; E944-Y948 WeakPolarHBondContact O-CD2 3.15Å; E944-Y948 PolarHBondContact O-N 2.96Å |
| 945 | L | 60.2 | Low | 63.8 | Low | 116 Ų | 116 | 103.2 Ų | 103.2 | 61% | 0.607 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.1 | -44.9 | 171 | -83.6 | 165.8 | 0 | 0 | 0 | 113 | Q941 D943 Q947 Y948 E949 | Q941-L945 WeakPolarHBondContact O-CG 3.15Å; Q941-L945 PolarHBondContact O-N 3.19Å; D943-L945 VanDerWaalsContact C-N 3.33Å; L945-Q947 VanDerWaalsContact C-N 3.27Å; L945-Q947 PolarHBondContact O-N 3.44Å; L945-Y948 WeakPolarHBondContact O-CB 3.12Å; L945-Y948 PolarHBondContact O-N 2.82Å; L945-E949 PolarHBondContact O-N 3.48Å; L945-E949 VanDerWaalsContact O-N 3.08Å |
| 946 | K | 65.1 | Low | 62.3 | Low | 94 Ų | 94 | 107.2 Ų | 107.2 | 41% | 0.409 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.3 | -35.1 | 174.6 | -70.6 | 175.4 | -164.6 | 158.3 | 0 | 112.6 | K942 D943 Y948 E949 I950 | K942-K946 WeakPolarHBondContact O-CG 3.01Å; K942-K946 PolarHBondContact O-N 3.18Å; K942-K946 VanDerWaalsContact O-N 3.13Å; D943-K946 PolarHBondContact O-N 3.03Å; D943-K946 WeakPolarHBondContact OD1-CD 3.35Å; D943-K946 WeakPolarHBondContact OD1-CE 3.45Å; D943-K946 IonicContact OD1-NZ 3.86Å; D943-K946 PolarHBondContact OD1-NZ 2.76Å; K946-Y948 VanDerWaalsContact C-N 3.26Å; K946-Y948 PolarHBondContact O-N 3.11Å; K946-E949 PolarHBondContact O-N 2.69Å; K946-I950 WeakPolarHBondContact O-CB 3.41Å; K946-I950 VanDerWaalsContact O-CG1 3.26Å; K946-I950 WeakPolarHBondContact O-CG1 3.46Å; K946-I950 PolarHBondContact O-N 2.79Å |
| 947 | Q | 63.2 | Low | 60.8 | Low | 135 Ų | 135 | 109.4 Ų | 109.4 | 63% | 0.631 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -67.5 | -28.6 | 176.1 | -71.6 | -169.9 | 19.3 | 0 | 0 | 112.1 | D943 E944 L945 T951 | D943-Q947 WeakPolarHBondContact O-CG 3.43Å; D943-Q947 PolarHBondContact O-N 3.3Å; E944-Q947 PolarHBondContact O-N 2.79Å; L945-Q947 VanDerWaalsContact C-N 3.27Å; L945-Q947 PolarHBondContact O-N 3.44Å; Q947-T951 WeakPolarHBondContact O-CB 3.36Å; Q947-T951 WeakPolarHBondContact O-CG2 3.04Å; Q947-T951 PolarHBondContact O-N 2.75Å; Q947-T951 PolarHBondContact O-OG1 3.3Å |
| 948 | Y | 57.6 | Low | 58.9 | Low | 169 Ų | 169 | 112.3 Ų | 112.3 | 66% | 0.663 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -72.5 | -36.6 | 169.1 | -67.9 | -61 | 0 | 0 | 0 | 113.1 | E944 L945 K946 T951 L952 | E944-Y948 WeakPolarHBondContact O-CD2 3.15Å; E944-Y948 PolarHBondContact O-N 2.96Å; L945-Y948 WeakPolarHBondContact O-CB 3.12Å; L945-Y948 PolarHBondContact O-N 2.82Å; K946-Y948 VanDerWaalsContact C-N 3.26Å; K946-Y948 PolarHBondContact O-N 3.11Å; Y948-T951 WeakPolarHBondContact CA-OG1 3.5Å; Y948-T951 PolarHBondContact O-OG1 3.44Å; Y948-L952 PolarHBondContact O-N 2.77Å; Y948-L952 VanDerWaalsContact O-N 3.15Å |
| 949 | E | 58.8 | Low | 57.1 | Low | 131 Ų | 131 | 117.4 Ų | 117.4 | 61% | 0.612 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -64 | -41.8 | 170.9 | -71.4 | -178.8 | 124.3 | 0 | 0 | 112.8 | L945 K946 L952 S953 | L945-E949 PolarHBondContact O-N 3.48Å; L945-E949 VanDerWaalsContact O-N 3.08Å; K946-E949 PolarHBondContact O-N 2.69Å; E949-L952 PolarHBondContact O-N 2.94Å; E949-S953 PolarHBondContact O-N 3.14Å; E949-S953 PolarHBondContact O-OG 3.36Å |
| 950 | I | 61.2 | Low | 55.6 | Low | 108 Ų | 108 | 121.9 Ų | 121.9 | 55% | 0.554 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -71.9 | -35.9 | -179.2 | -68.6 | 165.6 | 0 | 0 | 0 | 111.3 | K946 S954 | K946-I950 WeakPolarHBondContact O-CB 3.41Å; K946-I950 VanDerWaalsContact O-CG1 3.26Å; K946-I950 WeakPolarHBondContact O-CG1 3.46Å; K946-I950 PolarHBondContact O-N 2.79Å; I950-S954 VanDerWaalsContact O-CB 3.29Å; I950-S954 WeakPolarHBondContact O-CB 3.44Å; I950-S954 PolarHBondContact O-N 2.92Å; I950-S954 PolarHBondContact O-OG 3.4Å |
| 951 | T | 58.7 | Low | 53.6 | Low | 74 Ų | 74 | 123.6 Ų | 123.6 | 45% | 0.454 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -74.9 | -24.2 | 176.1 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | Q947 Y948 | Q947-T951 WeakPolarHBondContact O-CB 3.36Å; Q947-T951 WeakPolarHBondContact O-CG2 3.04Å; Q947-T951 PolarHBondContact O-N 2.75Å; Q947-T951 PolarHBondContact O-OG1 3.3Å; Y948-T951 WeakPolarHBondContact CA-OG1 3.5Å; Y948-T951 PolarHBondContact O-OG1 3.44Å |
| 952 | L | 50.2 | Low | 51.6 | Low | 127 Ų | 127 | 122.1 Ų | 122.1 | 67% | 0.665 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -70.2 | -54.1 | 166.4 | -81.6 | 162.7 | 0 | 0 | 0 | 111.2 | Y948 E949 S954 L955 | Y948-L952 PolarHBondContact O-N 2.77Å; Y948-L952 VanDerWaalsContact O-N 3.15Å; E949-L952 PolarHBondContact O-N 2.94Å; L952-S954 VanDerWaalsContact C-N 3.32Å; L952-S954 PolarHBondContact O-N 2.65Å; L952-L955 PolarHBondContact O-N 2.92Å |
| 953 | S | 52.8 | Low | 49.3 | Very low | 77 Ų | 77 | 125.5 Ų | 125.5 | 54% | 0.538 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -62.9 | -33 | -176.9 | -53.7 | 0 | 0 | 0 | 0 | 113.9 | E949 L955 E956 | E949-S953 PolarHBondContact O-N 3.14Å; E949-S953 PolarHBondContact O-OG 3.36Å; S953-L955 VanDerWaalsContact C-N 3.34Å; S953-L955 PolarHBondContact O-N 3.39Å; S953-E956 PolarHBondContact O-N 3.25Å |
| 954 | S | 49.6 | Very low | 47.5 | Very low | 61 Ų | 61 | 127.2 Ų | 127.2 | 43% | 0.427 | 65% | 0.654 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80 | -9.2 | -177.5 | 55.4 | 0 | 0 | 0 | 0 | 115 | I950 L952 | I950-S954 VanDerWaalsContact O-CB 3.29Å; I950-S954 WeakPolarHBondContact O-CB 3.44Å; I950-S954 PolarHBondContact O-N 2.92Å; I950-S954 PolarHBondContact O-OG 3.4Å; L952-S954 VanDerWaalsContact C-N 3.32Å; L952-S954 PolarHBondContact O-N 2.65Å |
| 955 | L | 44.5 | Very low | 45.5 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 65% | 0.654 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.5 | -23.6 | 169.2 | -73.5 | 171.1 | 0 | 0 | 0 | 112.6 | L952 S953 S957 | L952-L955 PolarHBondContact O-N 2.92Å; S953-L955 VanDerWaalsContact C-N 3.34Å; S953-L955 PolarHBondContact O-N 3.39Å; L955-S957 VanDerWaalsContact C-N 3.33Å; L955-S957 PolarHBondContact O-N 3.42Å |
| 956 | E | 44.3 | Very low | 43.7 | Very low | 173 Ų | 173 | 131.4 Ų | 131.4 | 81% | 0.808 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | -0.2 | 178 | -63.7 | -168 | 126.3 | 0 | 0 | 114.3 | S953 | S953-E956 PolarHBondContact O-N 3.25Š|
| 957 | S | 43.4 | Very low | 42 | Very low | 104 Ų | 104 | 131.6 Ų | 131.6 | 73% | 0.727 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -138.6 | 29.7 | -179.6 | -72.4 | 0 | 0 | 0 | 0 | 114.1 | L955 L959 | L955-S957 VanDerWaalsContact C-N 3.33Å; L955-S957 PolarHBondContact O-N 3.42Å; S957-L959 PolarHBondContact O-N 3.07Å; S957-L959 VanDerWaalsContact O-N 3.13Å |
| 958 | R | 36.6 | Very low | 40.3 | Very low | 208 Ų | 208 | 133.4 Ų | 133.4 | 79% | 0.785 | 69% | 0.689 | S | S | * | * | trans | -84.1 | 30.3 | -179.3 | -127 | -175.7 | 73.3 | 172.6 | 3.2 | 114.6 | ||||
| 959 | L | 33.6 | Very low | 38.8 | Very low | 161 Ų | 161 | 130.4 Ų | 130.4 | 84% | 0.843 | 69% | 0.691 | S | S | * | * | trans | -150.6 | 49.1 | -173.7 | -158.8 | 105.7 | 0 | 0 | 0 | 114.9 | S957 | S957-L959 PolarHBondContact O-N 3.07Å; S957-L959 VanDerWaalsContact O-N 3.13Å | ||
| 960 | L | 38 | Very low | 37.2 | Very low | 159 Ų | 159 | 130.8 Ų | 130.8 | 83% | 0.832 | 70% | 0.702 | S | S | * | * | trans | -157.5 | 74.5 | 160 | -147.2 | 87.6 | 0 | 0 | 0 | 108.8 | ||||
| 961 | E | 33.3 | Very low | 35.4 | Very low | 169 Ų | 169 | 128.9 Ų | 128.9 | 79% | 0.79 | 71% | 0.709 | S | S | * | * | 101.3 | 129.9 | 76 | -177.6 | 155.7 | -140.5 | 0 | 0 | 111.7 | |||||
| 962 | S | 28 | Very low | 33.8 | Very low | 96 Ų | 96 | 134 Ų | 134 | 67% | 0.671 | 73% | 0.728 | S | S | * | * | trans | 17 | 117.4 | 177.8 | 61.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 963 | E | 23 | Very low | 32.6 | Very low | 192 Ų | 192 | 137 Ų | 137 | 90% | 0.897 | 73% | 0.732 | S | S | * | * | 52 | 89.5 | 75.5 | -68.3 | -158.7 | 119.2 | 0 | 0 | 116.2 | |||||
| 964 | S | 28.6 | Very low | 31.3 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 74% | 0.738 | S | S | * | * | trans | -165.2 | 127.5 | 150.9 | -165.8 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 965 | Q | 25.4 | Very low | 30.3 | Very low | 153 Ų | 153 | 144 Ų | 144 | 72% | 0.715 | 75% | 0.753 | S | S | * | * | cis | -167.7 | 152.1 | -19.9 | -120.5 | 176.1 | 44 | 0 | 0 | 109.6 | ||||
| 966 | L | 22.8 | Very low | 29.5 | Very low | 133 Ų | 133 | 146.7 Ų | 146.7 | 70% | 0.696 | 76% | 0.756 | S | S | * | * | trans | 62.3 | 144.4 | 147.7 | -58.2 | 170.7 | 0 | 0 | 0 | 121.9 | ||||
| 967 | T | 28.6 | Very low | 28.9 | Very low | 97 Ų | 97 | 144.9 Ų | 144.9 | 60% | 0.595 | 75% | 0.752 | S | S | * | * | cis | -177.4 | 156.6 | -43.4 | 25 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 968 | K | 27.7 | Very low | 28.8 | Very low | 174 Ų | 174 | 145.2 Ų | 145.2 | 76% | 0.757 | 76% | 0.755 | S | S | * | * | trans | 73.1 | 131.1 | 135.7 | -78.4 | 165.5 | -174.8 | 172.3 | 0 | 123.5 | ||||
| 969 | C | 25.5 | Very low | 28.7 | Very low | 106 Ų | 106 | 142 Ų | 142 | 72% | 0.716 | 76% | 0.757 | S | S | * | * | trans | 72.1 | 150.7 | 133.3 | -64.6 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 970 | T | 26 | Very low | 29.1 | Very low | 138 Ų | 138 | 141.1 Ų | 141.1 | 85% | 0.847 | 75% | 0.754 | S | S | * | * | cis | -166.6 | 152.3 | -8.6 | 16.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 971 | G | 23.7 | Very low | 29.3 | Very low | 68 Ų | 68 | 144.9 Ų | 144.9 | 70% | 0.701 | 76% | 0.757 | S | S | * | * | trans | 131.9 | 117.2 | 139.8 | 0 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 972 | Q | 24.8 | Very low | 29.9 | Very low | 181 Ų | 181 | 144.6 Ų | 144.6 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | 81.3 | 141.4 | 124.9 | -89.3 | -178.7 | 2.6 | 0 | 0 | 124.7 | |||||
| 973 | Y | 24.8 | Very low | 30.8 | Very low | 191 Ų | 191 | 147.1 Ų | 147.1 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | 78.1 | 97 | 157.1 | -89.6 | -105.8 | 0 | 0 | 0 | 123.1 | ||||
| 974 | N | 26.1 | Very low | 32.1 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 67% | 0.668 | 75% | 0.749 | S | S | * | * | 58.1 | 135.7 | 117.4 | -67.9 | 2.8 | 0 | 0 | 0 | 125 | |||||
| 975 | Q | 27 | Very low | 33.4 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 75% | 0.748 | 74% | 0.737 | S | S | * | * | trans | 101.5 | 126.3 | 135.2 | -88.8 | -179.2 | -5.1 | 0 | 0 | 123.2 | ||||
| 976 | Y | 28.1 | Very low | 34.8 | Very low | 182 Ų | 182 | 141 Ų | 141 | 71% | 0.714 | 74% | 0.737 | S | S | * | * | trans | 64.3 | 102.5 | 148.7 | -70.4 | -61.5 | 0 | 0 | 0 | 123.3 | ||||
| 977 | D | 32.3 | Very low | 36.4 | Very low | 134 Ų | 134 | 139.5 Ų | 139.5 | 72% | 0.717 | 73% | 0.729 | S | S | * | * | 67.5 | 141.5 | 116.2 | -69.8 | 12.3 | 0 | 0 | 0 | 125.3 | |||||
| 978 | S | 40.5 | Very low | 38.2 | Very low | 112 Ų | 112 | 139 Ų | 139 | 78% | 0.783 | 73% | 0.727 | S | S | * | * | trans | 45.5 | 97.9 | 154.7 | 57.6 | 0 | 0 | 0 | 0 | 118.2 | D980 | S978-D980 PolarHBondContact O-N 3.03Š| ||
| 979 | V | 35.9 | Very low | 40 | Very low | 139 Ų | 139 | 134.8 Ų | 134.8 | 84% | 0.842 | 71% | 0.712 | S | S | * | * | trans | -63.3 | 114.7 | 153.3 | 175.6 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 980 | D | 41.8 | Very low | 42 | Very low | 143 Ų | 143 | 134.3 Ų | 134.3 | 77% | 0.765 | 70% | 0.702 | S | S | * | * | -163.2 | 124.4 | 123.9 | -109.2 | -32.3 | 0 | 0 | 0 | 111.8 | S978 | S978-D980 PolarHBondContact O-N 3.03Š| |||
| 981 | R | 41.6 | Very low | 44.2 | Very low | 238 Ų | 238 | 130.9 Ų | 130.9 | 90% | 0.898 | 68% | 0.681 | S | S | * | * | trans | -147.6 | 58.4 | -177.7 | -70.6 | -166.3 | -174.8 | -178.6 | 4.4 | 113 | ||||
| 982 | I | 45.2 | Very low | 46.7 | Very low | 163 Ų | 163 | 134.1 Ų | 134.1 | 84% | 0.836 | 68% | 0.675 | S | S | * | * | S | Bend | trans | -142.5 | 6.9 | 168.8 | -110 | 148.5 | 0 | 0 | 0 | 114.6 | ||
| 983 | Q | 48.4 | Very low | 49 | Very low | 149 Ų | 149 | 130 Ų | 130 | 70% | 0.696 | 66% | 0.66 | S | S | * | * | S | Bend | trans | -118.9 | 9.1 | -174.8 | -126.6 | 173.5 | 13.2 | 0 | 0 | 116.4 | ||
| 984 | C | 48.6 | Very low | 51.4 | Low | 97 Ų | 97 | 124.9 Ų | 124.9 | 66% | 0.655 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -103.4 | -10.3 | -172.2 | -62.8 | 0 | 0 | 0 | 0 | 116.3 | T988 | C984-T988 WeakPolarHBondContact O-CB 3.38Å; C984-T988 PolarHBondContact O-OG1 2.78Å |
| 985 | S | 56.3 | Low | 53.7 | Low | 75 Ų | 75 | 125.3 Ų | 125.3 | 52% | 0.524 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -80.8 | -58.5 | 175.7 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | L987 T988 D989 | S985-L987 VanDerWaalsContact C-N 3.28Å; S985-L987 PolarHBondContact O-N 2.89Å; S985-T988 WeakPolarHBondContact O-CA 3.28Å; S985-T988 WeakPolarHBondContact O-CB 3.47Å; S985-T988 PolarHBondContact O-N 2.66Å; S985-D989 PolarHBondContact O-N 2.91Å; S985-D989 VanDerWaalsContact O-N 3.08Å |
| 986 | Q | 55.2 | Low | 56.2 | Low | 155 Ų | 155 | 122.9 Ų | 122.9 | 72% | 0.724 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -58.6 | -36.3 | -177.8 | -69.1 | 174.6 | -22.8 | 0 | 0 | 113 | L990 | Q986-L990 WeakPolarHBondContact O-CB 3.39Å; Q986-L990 PolarHBondContact O-N 3.45Å; Q986-L990 VanDerWaalsContact O-N 3.08Å |
| 987 | L | 56.4 | Low | 58.5 | Low | 102 Ų | 102 | 119.3 Ų | 119.3 | 53% | 0.534 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -72 | -28.3 | 172.3 | -77.2 | 176.2 | 0 | 0 | 0 | 113.3 | S985 V991 | S985-L987 VanDerWaalsContact C-N 3.28Å; S985-L987 PolarHBondContact O-N 2.89Å; L987-V991 WeakPolarHBondContact O-CB 3.28Å; L987-V991 WeakPolarHBondContact O-CG2 3.4Å; L987-V991 PolarHBondContact O-N 2.99Å |
| 988 | T | 65.7 | Low | 60.5 | Low | 88 Ų | 88 | 117.3 Ų | 117.3 | 54% | 0.54 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -70.5 | -43.6 | 176.4 | -66.3 | 0 | 0 | 0 | 0 | 111.1 | C984 S985 V991 K992 | C984-T988 WeakPolarHBondContact O-CB 3.38Å; C984-T988 PolarHBondContact O-OG1 2.78Å; S985-T988 WeakPolarHBondContact O-CA 3.28Å; S985-T988 WeakPolarHBondContact O-CB 3.47Å; S985-T988 PolarHBondContact O-N 2.66Å; T988-V991 PolarHBondContact O-N 3.22Å; T988-K992 PolarHBondContact O-N 3.38Å |
| 989 | D | 65.6 | Low | 62.3 | Low | 85 Ų | 85 | 115.3 Ų | 115.3 | 46% | 0.455 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -72.5 | -40.5 | 179 | -66.1 | -45.4 | 0 | 0 | 0 | 111.8 | S985 V991 K992 D993 | S985-D989 PolarHBondContact O-N 2.91Å; S985-D989 VanDerWaalsContact O-N 3.08Å; D989-V991 VanDerWaalsContact C-N 3.31Å; D989-V991 PolarHBondContact O-N 2.79Å; D989-K992 WeakPolarHBondContact O-CA 3.42Å; D989-K992 WeakPolarHBondContact O-CB 3.39Å; D989-K992 PolarHBondContact O-N 2.96Å; D989-D993 PolarHBondContact O-N 2.91Å |
| 990 | L | 69 | Low | 64.3 | Low | 96 Ų | 96 | 112.7 Ų | 112.7 | 50% | 0.503 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -61 | -38.4 | 172.4 | -173.2 | 66.4 | 0 | 0 | 0 | 112.4 | Q986 K992 L994 | Q986-L990 WeakPolarHBondContact O-CB 3.39Å; Q986-L990 PolarHBondContact O-N 3.45Å; Q986-L990 VanDerWaalsContact O-N 3.08Å; L990-K992 PolarHBondContact O-N 3.21Å; L990-L994 HydrophobicContact CG-CD1 4.16Å; L990-L994 WeakPolarHBondContact O-CB 3.16Å; L990-L994 VanDerWaalsContact O-CG 3.27Å; L990-L994 WeakPolarHBondContact O-CG 3.48Å; L990-L994 PolarHBondContact O-N 2.83Å |
| 991 | V | 70.4 | Confident | 65.9 | Low | 65 Ų | 65 | 114.1 Ų | 114.1 | 39% | 0.394 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -69.4 | -21.9 | 172.8 | 165.9 | 0 | 0 | 0 | 0 | 112.2 | L987 T988 D989 K995 | L987-V991 WeakPolarHBondContact O-CB 3.28Å; L987-V991 WeakPolarHBondContact O-CG2 3.4Å; L987-V991 PolarHBondContact O-N 2.99Å; T988-V991 PolarHBondContact O-N 3.22Å; D989-V991 VanDerWaalsContact C-N 3.31Å; D989-V991 PolarHBondContact O-N 2.79Å; V991-K995 HydrophobicContact CG1-CD 4.17Å; V991-K995 WeakPolarHBondContact O-CB 3.29Å; V991-K995 VanDerWaalsContact O-CD 3.3Å; V991-K995 WeakPolarHBondContact O-CD 3.09Å; V991-K995 WeakPolarHBondContact O-CG 3.31Å; V991-K995 PolarHBondContact O-N 3.27Å |
| 992 | K | 76.8 | Confident | 67.7 | Low | 136 Ų | 136 | 109.2 Ų | 109.2 | 59% | 0.591 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -75.5 | -50.1 | 174.2 | -140.1 | -179.9 | -173.7 | -178.5 | 0 | 110.6 | T988 D989 L990 K995 Q996 | T988-K992 PolarHBondContact O-N 3.38Å; D989-K992 WeakPolarHBondContact O-CA 3.42Å; D989-K992 WeakPolarHBondContact O-CB 3.39Å; D989-K992 PolarHBondContact O-N 2.96Å; L990-K992 PolarHBondContact O-N 3.21Å; K992-K995 CarbonylContact O-C 3.59Å; K992-K995 WeakPolarHBondContact O-CB 3.28Å; K992-K995 PolarHBondContact O-N 3.28Å; K992-K995 VanDerWaalsContact O-N 3.12Å; K992-Q996 PolarHBondContact O-N 3.39Å |
| 993 | D | 73.6 | Confident | 69.4 | Low | 96 Ų | 96 | 107.9 Ų | 107.9 | 51% | 0.513 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 178.7 | -73.1 | -4.5 | 0 | 0 | 0 | 111.4 | D989 K995 Q996 Q997 | D989-D993 PolarHBondContact O-N 2.91Å; D993-K995 VanDerWaalsContact C-N 3.29Å; D993-K995 PolarHBondContact O-N 2.84Å; D993-Q996 PolarHBondContact O-N 2.78Å; D993-Q996 VanDerWaalsContact O-N 3.1Å; D993-Q997 WeakPolarHBondContact O-CG 3.41Å; D993-Q997 PolarHBondContact O-N 2.94Å |
| 994 | L | 74.9 | Confident | 70.9 | Confident | 82 Ų | 82 | 104.6 Ų | 104.6 | 43% | 0.429 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.2 | -35.1 | 173.3 | -71.6 | 171 | 0 | 0 | 0 | 112.1 | L990 I998 | L990-L994 HydrophobicContact CG-CD1 4.16Å; L990-L994 WeakPolarHBondContact O-CB 3.16Å; L990-L994 VanDerWaalsContact O-CG 3.27Å; L990-L994 WeakPolarHBondContact O-CG 3.48Å; L990-L994 PolarHBondContact O-N 2.83Å; L994-I998 VanDerWaalsContact O-CB 3.25Å; L994-I998 WeakPolarHBondContact O-CB 3.42Å; L994-I998 WeakPolarHBondContact O-CD1 3.39Å; L994-I998 WeakPolarHBondContact O-CG1 3.21Å; L994-I998 PolarHBondContact O-N 3.44Å |
| 995 | K | 75.3 | Confident | 72.3 | Confident | 134 Ų | 134 | 103.7 Ų | 103.7 | 58% | 0.583 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.2 | -37.2 | 172.2 | -79.3 | 169.8 | -175.2 | 169.5 | 0 | 112.2 | V991 K992 D993 I998 T999 | V991-K995 HydrophobicContact CG1-CD 4.17Å; V991-K995 WeakPolarHBondContact O-CB 3.29Å; V991-K995 VanDerWaalsContact O-CD 3.3Å; V991-K995 WeakPolarHBondContact O-CD 3.09Å; V991-K995 WeakPolarHBondContact O-CG 3.31Å; V991-K995 PolarHBondContact O-N 3.27Å; K992-K995 CarbonylContact O-C 3.59Å; K992-K995 WeakPolarHBondContact O-CB 3.28Å; K992-K995 PolarHBondContact O-N 3.28Å; K992-K995 VanDerWaalsContact O-N 3.12Å; D993-K995 VanDerWaalsContact C-N 3.29Å; D993-K995 PolarHBondContact O-N 2.84Å; K995-I998 PolarHBondContact O-N 2.95Å; K995-T999 PolarHBondContact O-N 2.85Å; K995-T999 PolarHBondContact O-OG1 2.85Å |
| 996 | Q | 78 | Confident | 73.6 | Confident | 110 Ų | 110 | 103.9 Ų | 103.9 | 51% | 0.514 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.6 | -51.3 | 175.8 | -175.3 | 154.4 | -22.8 | 0 | 0 | 110.9 | K992 D993 I998 T999 E1000 | K992-Q996 PolarHBondContact O-N 3.39Å; D993-Q996 PolarHBondContact O-N 2.78Å; D993-Q996 VanDerWaalsContact O-N 3.1Å; Q996-I998 VanDerWaalsContact C-N 3.31Å; Q996-I998 PolarHBondContact O-N 3.07Å; Q996-T999 CarbonylContact O-C 3.59Å; Q996-T999 WeakPolarHBondContact O-CA 3.17Å; Q996-T999 PolarHBondContact O-N 2.73Å; Q996-T999 PolarHBondContact O-OG1 3.43Å; Q996-E1000 VanDerWaalsContact CG-OE1 3.26Å; Q996-E1000 WeakPolarHBondContact CG-OE1 3.44Å; Q996-E1000 PolarHBondContact NE2-OE1 2.7Å; Q996-E1000 PolarHBondContact O-N 3.32Å |
| 997 | Q | 77.2 | Confident | 74.8 | Confident | 106 Ų | 106 | 100.1 Ų | 100.1 | 50% | 0.495 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -54 | -44 | 172.6 | -69.6 | 178.9 | 5.2 | 0 | 0 | 112.1 | D993 T999 E1000 Y1001 | D993-Q997 WeakPolarHBondContact O-CG 3.41Å; D993-Q997 PolarHBondContact O-N 2.94Å; Q997-T999 VanDerWaalsContact C-N 3.29Å; Q997-T999 PolarHBondContact O-N 2.73Å; Q997-E1000 PolarHBondContact O-N 3.11Å; Q997-Y1001 WeakPolarHBondContact O-CB 3.3Å; Q997-Y1001 WeakPolarHBondContact O-CD2 3.47Å; Q997-Y1001 PolarHBondContact O-N 2.83Å |
| 998 | I | 74.3 | Confident | 75.9 | Confident | 92 Ų | 92 | 100 Ų | 100 | 47% | 0.472 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.5 | -31.6 | 175.6 | -74.9 | 166.9 | 0 | 0 | 0 | 112.4 | L994 K995 Q996 K1002 | L994-I998 VanDerWaalsContact O-CB 3.25Å; L994-I998 WeakPolarHBondContact O-CB 3.42Å; L994-I998 WeakPolarHBondContact O-CD1 3.39Å; L994-I998 WeakPolarHBondContact O-CG1 3.21Å; L994-I998 PolarHBondContact O-N 3.44Å; K995-I998 PolarHBondContact O-N 2.95Å; Q996-I998 VanDerWaalsContact C-N 3.31Å; Q996-I998 PolarHBondContact O-N 3.07Å; I998-K1002 HydrophobicContact CG2-CD 4.28Å; I998-K1002 WeakPolarHBondContact O-CB 3.31Å; I998-K1002 WeakPolarHBondContact O-CD 3.49Å; I998-K1002 WeakPolarHBondContact O-CG 3.41Å; I998-K1002 PolarHBondContact O-N 2.87Å; I998-K1002 VanDerWaalsContact O-N 3.16Å |
| 999 | T | 78.7 | Confident | 76.7 | Confident | 70 Ų | 70 | 103.1 Ų | 103.1 | 43% | 0.429 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -80.9 | -30.9 | 176 | 51.8 | 0 | 0 | 0 | 0 | 113.3 | K995 Q996 Q997 K1002 K1003 | K995-T999 PolarHBondContact O-N 2.85Å; K995-T999 PolarHBondContact O-OG1 2.85Å; Q996-T999 CarbonylContact O-C 3.59Å; Q996-T999 WeakPolarHBondContact O-CA 3.17Å; Q996-T999 PolarHBondContact O-N 2.73Å; Q996-T999 PolarHBondContact O-OG1 3.43Å; Q997-T999 VanDerWaalsContact C-N 3.29Å; Q997-T999 PolarHBondContact O-N 2.73Å; T999-K1002 PolarHBondContact O-N 2.85Å; T999-K1003 WeakPolarHBondContact O-CG 3.06Å; T999-K1003 PolarHBondContact O-N 3.32Å |
| 1000 | E | 77.8 | Confident | 77.5 | Confident | 85 Ų | 85 | 103.5 Ų | 103.5 | 40% | 0.397 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72 | -46.1 | 172.6 | -73.8 | 167 | -168.3 | 0 | 0 | 111.2 | Q996 Q997 K1002 K1003 V1004 | Q996-E1000 VanDerWaalsContact CG-OE1 3.26Å; Q996-E1000 WeakPolarHBondContact CG-OE1 3.44Å; Q996-E1000 PolarHBondContact NE2-OE1 2.7Å; Q996-E1000 PolarHBondContact O-N 3.32Å; Q997-E1000 PolarHBondContact O-N 3.11Å; E1000-K1002 PolarHBondContact O-N 2.81Å; E1000-K1003 WeakPolarHBondContact O-CB 3.42Å; E1000-K1003 PolarHBondContact O-N 3.29Å; E1000-V1004 WeakPolarHBondContact O-CG2 3.39Å; E1000-V1004 PolarHBondContact O-N 3.49Å |
| 1001 | Y | 75.6 | Confident | 78.1 | Confident | 173 Ų | 173 | 103.8 Ų | 103.8 | 68% | 0.678 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -56.9 | -35.1 | 169.5 | -94.3 | -74.3 | 0 | 0 | 0 | 112.5 | Q997 N1005 | Q997-Y1001 WeakPolarHBondContact O-CB 3.3Å; Q997-Y1001 WeakPolarHBondContact O-CD2 3.47Å; Q997-Y1001 PolarHBondContact O-N 2.83Å; Y1001-N1005 WeakPolarHBondContact O-CB 3.46Å; Y1001-N1005 PolarHBondContact O-N 3.39Å |
| 1002 | K | 79.7 | Confident | 78.7 | Confident | 134 Ų | 134 | 109.7 Ų | 109.7 | 58% | 0.583 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.5 | -41.4 | 173 | -80.8 | 169.5 | -176.8 | 176.9 | 0 | 112.4 | I998 T999 E1000 N1005 T1006 | I998-K1002 HydrophobicContact CG2-CD 4.28Å; I998-K1002 WeakPolarHBondContact O-CB 3.31Å; I998-K1002 WeakPolarHBondContact O-CD 3.49Å; I998-K1002 WeakPolarHBondContact O-CG 3.41Å; I998-K1002 PolarHBondContact O-N 2.87Å; I998-K1002 VanDerWaalsContact O-N 3.16Å; T999-K1002 PolarHBondContact O-N 2.85Å; E1000-K1002 PolarHBondContact O-N 2.81Å; K1002-N1005 PolarHBondContact O-N 3.18Å; K1002-T1006 PolarHBondContact O-N 2.75Å; K1002-T1006 PolarHBondContact O-OG1 3.04Å |
| 1003 | K | 80.5 | Confident | 79.1 | Confident | 135 Ų | 135 | 106.1 Ų | 106.1 | 59% | 0.587 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.3 | -49.6 | 174.3 | -71.4 | 171.4 | -177.7 | 174.5 | 0 | 111.5 | T999 E1000 N1005 T1006 V1007 | T999-K1003 WeakPolarHBondContact O-CG 3.06Å; T999-K1003 PolarHBondContact O-N 3.32Å; E1000-K1003 WeakPolarHBondContact O-CB 3.42Å; E1000-K1003 PolarHBondContact O-N 3.29Å; K1003-N1005 VanDerWaalsContact C-N 3.32Å; K1003-N1005 PolarHBondContact O-N 2.77Å; K1003-T1006 WeakPolarHBondContact CA-OG1 3.49Å; K1003-T1006 PolarHBondContact O-N 3.49Å; K1003-T1006 PolarHBondContact O-OG1 3.47Å; K1003-V1007 PolarHBondContact O-N 3.12Å |
| 1004 | V | 79.6 | Confident | 79.6 | Confident | 80 Ų | 80 | 107.4 Ų | 107.4 | 49% | 0.485 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -59.7 | -43.1 | 177.3 | 176.4 | 0 | 0 | 0 | 0 | 110.7 | E1000 T1006 V1007 L1008 | E1000-V1004 WeakPolarHBondContact O-CG2 3.39Å; E1000-V1004 PolarHBondContact O-N 3.49Å; V1004-T1006 VanDerWaalsContact C-N 3.28Å; V1004-T1006 PolarHBondContact O-N 2.88Å; V1004-V1007 PolarHBondContact O-N 2.66Å; V1004-V1007 VanDerWaalsContact O-N 3.16Å; V1004-L1008 HydrophobicContact CG1-CD1 3.83Å; V1004-L1008 HydrophobicContact CG1-CG 4.24Å; V1004-L1008 WeakPolarHBondContact O-CB 3.22Å; V1004-L1008 WeakPolarHBondContact O-CG 3.28Å; V1004-L1008 PolarHBondContact O-N 2.85Å |
| 1005 | N | 78.6 | Confident | 80 | Confident | 78 Ų | 78 | 108.9 Ų | 108.9 | 42% | 0.417 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.6 | -12.6 | 176.9 | -160.9 | -18.7 | 0 | 0 | 0 | 113.5 | Y1001 K1002 K1003 R1009 | Y1001-N1005 WeakPolarHBondContact O-CB 3.46Å; Y1001-N1005 PolarHBondContact O-N 3.39Å; K1002-N1005 PolarHBondContact O-N 3.18Å; K1003-N1005 VanDerWaalsContact C-N 3.32Å; K1003-N1005 PolarHBondContact O-N 2.77Å; N1005-R1009 VanDerWaalsContact CG-NH1 3.33Å; N1005-R1009 WeakPolarHBondContact O-CB 3.2Å; N1005-R1009 VanDerWaalsContact O-CG 3.23Å; N1005-R1009 WeakPolarHBondContact O-CG 3.26Å; N1005-R1009 PolarHBondContact O-NH1 3.02Å; N1005-R1009 PolarHBondContact OD1-NH1 3.5Å |
| 1006 | T | 82.1 | Confident | 80.6 | Confident | 80 Ų | 80 | 106.9 Ų | 106.9 | 49% | 0.491 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -81.3 | -41.4 | 162.9 | 42.9 | 0 | 0 | 0 | 0 | 112 | K1002 K1003 V1004 R1009 T1010 | K1002-T1006 PolarHBondContact O-N 2.75Å; K1002-T1006 PolarHBondContact O-OG1 3.04Å; K1003-T1006 WeakPolarHBondContact CA-OG1 3.49Å; K1003-T1006 PolarHBondContact O-N 3.49Å; K1003-T1006 PolarHBondContact O-OG1 3.47Å; V1004-T1006 VanDerWaalsContact C-N 3.28Å; V1004-T1006 PolarHBondContact O-N 2.88Å; T1006-R1009 WeakPolarHBondContact O-CB 3.49Å; T1006-R1009 PolarHBondContact O-N 2.78Å; T1006-T1010 PolarHBondContact O-N 2.97Å; T1006-T1010 PolarHBondContact O-OG1 2.82Å |
| 1007 | V | 82.2 | Confident | 81 | Confident | 76 Ų | 76 | 107.7 Ų | 107.7 | 46% | 0.461 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -50.1 | 176.7 | 176 | 0 | 0 | 0 | 0 | 111.1 | K1003 V1004 R1009 T1010 E1011 | K1003-V1007 PolarHBondContact O-N 3.12Å; V1004-V1007 PolarHBondContact O-N 2.66Å; V1004-V1007 VanDerWaalsContact O-N 3.16Å; V1007-R1009 PolarHBondContact O-N 3.39Å; V1007-T1010 WeakPolarHBondContact CA-OG1 3.42Å; V1007-T1010 PolarHBondContact O-N 2.96Å; V1007-T1010 PolarHBondContact O-OG1 2.66Å; V1007-E1011 HydrophobicContact CG1-CG 4.33Å; V1007-E1011 PolarHBondContact O-N 3.3Å |
| 1008 | L | 79.2 | Confident | 81.4 | Confident | 98 Ų | 98 | 105.1 Ų | 105.1 | 51% | 0.513 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -60.9 | -26.9 | 176.3 | -69.2 | 172.1 | 0 | 0 | 0 | 112.9 | V1004 R1012 | V1004-L1008 HydrophobicContact CG1-CD1 3.83Å; V1004-L1008 HydrophobicContact CG1-CG 4.24Å; V1004-L1008 WeakPolarHBondContact O-CB 3.22Å; V1004-L1008 WeakPolarHBondContact O-CG 3.28Å; V1004-L1008 PolarHBondContact O-N 2.85Å; L1008-R1012 WeakPolarHBondContact O-CB 3.38Å; L1008-R1012 PolarHBondContact O-N 2.82Å |
| 1009 | R | 81.3 | Confident | 82 | Confident | 154 Ų | 154 | 103.8 Ų | 103.8 | 58% | 0.581 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -74.5 | -40.7 | 171.9 | -82.6 | -176.4 | -173.4 | 102.5 | -5.6 | 112.1 | N1005 T1006 V1007 A1013 | N1005-R1009 VanDerWaalsContact CG-NH1 3.33Å; N1005-R1009 WeakPolarHBondContact O-CB 3.2Å; N1005-R1009 VanDerWaalsContact O-CG 3.23Å; N1005-R1009 WeakPolarHBondContact O-CG 3.26Å; N1005-R1009 PolarHBondContact O-NH1 3.02Å; N1005-R1009 PolarHBondContact OD1-NH1 3.5Å; T1006-R1009 WeakPolarHBondContact O-CB 3.49Å; T1006-R1009 PolarHBondContact O-N 2.78Å; V1007-R1009 PolarHBondContact O-N 3.39Å; R1009-A1013 WeakPolarHBondContact O-CB 3.1Å; R1009-A1013 PolarHBondContact O-N 2.63Å |
| 1010 | T | 83.7 | Confident | 82.4 | Confident | 94 Ų | 94 | 104.7 Ų | 104.7 | 58% | 0.577 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.5 | -41.1 | 174.7 | 42.3 | 0 | 0 | 0 | 0 | 111.9 | T1006 V1007 A1013 H1014 | T1006-T1010 PolarHBondContact O-N 2.97Å; T1006-T1010 PolarHBondContact O-OG1 2.82Å; V1007-T1010 WeakPolarHBondContact CA-OG1 3.42Å; V1007-T1010 PolarHBondContact O-N 2.96Å; V1007-T1010 PolarHBondContact O-OG1 2.66Å; T1010-A1013 PolarHBondContact O-N 2.73Å; T1010-H1014 WeakPolarHBondContact O-CB 3.45Å; T1010-H1014 PolarHBondContact O-N 3.29Å |
| 1011 | E | 80.2 | Confident | 83 | Confident | 101 Ų | 101 | 106.7 Ų | 106.7 | 47% | 0.472 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.3 | -45.1 | 173.9 | -69.7 | 177.1 | 137.8 | 0 | 0 | 111.3 | V1007 A1013 H1014 L1015 | V1007-E1011 HydrophobicContact CG1-CG 4.33Å; V1007-E1011 PolarHBondContact O-N 3.3Å; E1011-A1013 VanDerWaalsContact C-N 3.3Å; E1011-A1013 PolarHBondContact O-N 3.35Å; E1011-H1014 PolarHBondContact O-N 3.46Å; E1011-L1015 WeakPolarHBondContact O-CB 3.4Å; E1011-L1015 VanDerWaalsContact O-CG 3.3Å; E1011-L1015 WeakPolarHBondContact O-CG 3.44Å; E1011-L1015 PolarHBondContact O-N 3.41Å |
| 1012 | R | 83.3 | Confident | 83.5 | Confident | 190 Ų | 190 | 102.8 Ų | 102.8 | 72% | 0.717 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -61.7 | -36.3 | 174.5 | -177.1 | 174.1 | 177.3 | 174 | 1 | 112.6 | L1008 Q1016 | L1008-R1012 WeakPolarHBondContact O-CB 3.38Å; L1008-R1012 PolarHBondContact O-N 2.82Å; R1012-Q1016 VanDerWaalsContact O-CB 3.3Å; R1012-Q1016 WeakPolarHBondContact O-CB 3.28Å; R1012-Q1016 PolarHBondContact O-N 3.44Å |
| 1013 | A | 85.3 | Confident | 83.8 | Confident | 60 Ų | 60 | 101.9 Ų | 101.9 | 50% | 0.496 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.7 | -44.4 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1009 T1010 E1011 Q1016 E1017 | R1009-A1013 WeakPolarHBondContact O-CB 3.1Å; R1009-A1013 PolarHBondContact O-N 2.63Å; T1010-A1013 PolarHBondContact O-N 2.73Å; E1011-A1013 VanDerWaalsContact C-N 3.3Å; E1011-A1013 PolarHBondContact O-N 3.35Å; A1013-Q1016 PolarHBondContact O-N 3.44Å; A1013-E1017 PolarHBondContact O-N 2.79Å |
| 1014 | H | 84.5 | Confident | 84.1 | Confident | 124 Ų | 124 | 97.4 Ų | 97.4 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.1 | -39.6 | 179 | -136.5 | -27 | 0 | 0 | 0 | 112.1 | T1010 E1011 E1017 T1018 | T1010-H1014 WeakPolarHBondContact O-CB 3.45Å; T1010-H1014 PolarHBondContact O-N 3.29Å; E1011-H1014 PolarHBondContact O-N 3.46Å; H1014-E1017 IonicContact ND1-OE2 3.65Å; H1014-E1017 PolarHBondContact O-N 3.43Å; H1014-T1018 WeakPolarHBondContact O-CG2 3.45Å; H1014-T1018 PolarHBondContact O-N 3.05Å; H1014-T1018 PolarHBondContact O-OG1 3.17Å |
| 1015 | L | 83.9 | Confident | 84.5 | Confident | 112 Ų | 112 | 97.9 Ų | 97.9 | 59% | 0.586 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -66.2 | -39.9 | 172.6 | -72.3 | 170.7 | 0 | 0 | 0 | 111.9 | E1011 E1017 T1018 V1019 | E1011-L1015 WeakPolarHBondContact O-CB 3.4Å; E1011-L1015 VanDerWaalsContact O-CG 3.3Å; E1011-L1015 WeakPolarHBondContact O-CG 3.44Å; E1011-L1015 PolarHBondContact O-N 3.41Å; L1015-E1017 VanDerWaalsContact C-N 3.3Å; L1015-E1017 PolarHBondContact O-N 3.24Å; L1015-T1018 WeakPolarHBondContact CA-OG1 3.49Å; L1015-T1018 PolarHBondContact O-N 2.87Å; L1015-T1018 PolarHBondContact O-OG1 3.38Å; L1015-V1019 WeakPolarHBondContact O-CB 3.45Å; L1015-V1019 VanDerWaalsContact O-CG2 3.29Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.32Å; L1015-V1019 PolarHBondContact O-N 3.19Å |
| 1016 | Q | 86.7 | Confident | 84.7 | Confident | 93 Ų | 93 | 99.6 Ų | 99.6 | 44% | 0.435 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.9 | -38 | 173.6 | -170.8 | 66.3 | 67.2 | 0 | 0 | 111.2 | R1012 A1013 V1019 N1020 | R1012-Q1016 VanDerWaalsContact O-CB 3.3Å; R1012-Q1016 WeakPolarHBondContact O-CB 3.28Å; R1012-Q1016 PolarHBondContact O-N 3.44Å; A1013-Q1016 PolarHBondContact O-N 3.44Å; Q1016-V1019 PolarHBondContact O-N 2.66Å; Q1016-N1020 PolarHBondContact NE2-OD1 3.19Å; Q1016-N1020 WeakPolarHBondContact O-CB 3.49Å; Q1016-N1020 PolarHBondContact O-N 3.23Å; Q1016-N1020 PolarHBondContact O-OD1 2.8Å |
| 1017 | E | 86.7 | Confident | 84.9 | Confident | 127 Ų | 127 | 98.5 Ų | 98.5 | 59% | 0.593 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -66.8 | -40 | 175 | -172.2 | 171.6 | -147.2 | 0 | 0 | 112.3 | A1013 H1014 L1015 N1020 R1021 | A1013-E1017 PolarHBondContact O-N 2.79Å; H1014-E1017 IonicContact ND1-OE2 3.65Å; H1014-E1017 PolarHBondContact O-N 3.43Å; L1015-E1017 VanDerWaalsContact C-N 3.3Å; L1015-E1017 PolarHBondContact O-N 3.24Å; E1017-N1020 PolarHBondContact O-N 3.41Å; E1017-R1021 WeakPolarHBondContact O-CB 3.34Å; E1017-R1021 PolarHBondContact O-N 2.82Å |
| 1018 | T | 86.9 | Confident | 85.1 | Confident | 52 Ų | 52 | 98 Ų | 98 | 32% | 0.319 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -68.6 | -36.2 | 173.7 | 58.3 | 0 | 0 | 0 | 0 | 112.6 | H1014 L1015 R1021 L1022 | H1014-T1018 WeakPolarHBondContact O-CG2 3.45Å; H1014-T1018 PolarHBondContact O-N 3.05Å; H1014-T1018 PolarHBondContact O-OG1 3.17Å; L1015-T1018 WeakPolarHBondContact CA-OG1 3.49Å; L1015-T1018 PolarHBondContact O-N 2.87Å; L1015-T1018 PolarHBondContact O-OG1 3.38Å; T1018-R1021 PolarHBondContact O-N 3.48Å; T1018-L1022 WeakPolarHBondContact O-CB 3.35Å; T1018-L1022 VanDerWaalsContact O-CG 3.25Å; T1018-L1022 WeakPolarHBondContact O-CG 3.26Å; T1018-L1022 PolarHBondContact O-N 3.45Å |
| 1019 | V | 86.1 | Confident | 85.2 | Confident | 63 Ų | 63 | 102.9 Ų | 102.9 | 38% | 0.382 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -60.8 | -52.4 | 170.8 | 167.6 | 0 | 0 | 0 | 0 | 110.2 | L1015 Q1016 R1021 L1022 E1023 | L1015-V1019 WeakPolarHBondContact O-CB 3.45Å; L1015-V1019 VanDerWaalsContact O-CG2 3.29Å; L1015-V1019 WeakPolarHBondContact O-CG2 3.32Å; L1015-V1019 PolarHBondContact O-N 3.19Å; Q1016-V1019 PolarHBondContact O-N 2.66Å; V1019-R1021 VanDerWaalsContact C-N 3.26Å; V1019-R1021 PolarHBondContact O-N 2.88Å; V1019-L1022 CarbonylContact O-C 3.58Å; V1019-L1022 PolarHBondContact O-N 2.78Å; V1019-L1022 VanDerWaalsContact O-N 3.07Å; V1019-E1023 HydrophobicContact CG1-CG 4.22Å; V1019-E1023 WeakPolarHBondContact O-CB 3.41Å; V1019-E1023 WeakPolarHBondContact O-CG 3.49Å; V1019-E1023 PolarHBondContact O-N 3.38Å |
| 1020 | N | 87.8 | Confident | 85.3 | Confident | 89 Ų | 89 | 98.6 Ų | 98.6 | 48% | 0.476 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.4 | -37.5 | 179 | -64.8 | 3.1 | 0 | 0 | 0 | 112 | Q1016 E1017 G1024 | Q1016-N1020 PolarHBondContact NE2-OD1 3.19Å; Q1016-N1020 WeakPolarHBondContact O-CB 3.49Å; Q1016-N1020 PolarHBondContact O-N 3.23Å; Q1016-N1020 PolarHBondContact O-OD1 2.8Å; E1017-N1020 PolarHBondContact O-N 3.41Å; N1020-G1024 PolarHBondContact O-N 3.03Å |
| 1021 | R | 89.2 | Confident | 85.4 | Confident | 127 Ų | 127 | 98.2 Ų | 98.2 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -65.3 | -47.4 | 173.8 | -176.5 | -175.8 | 64.4 | 79.1 | 3.7 | 111.7 | E1017 T1018 V1019 G1024 E1025 | E1017-R1021 WeakPolarHBondContact O-CB 3.34Å; E1017-R1021 PolarHBondContact O-N 2.82Å; T1018-R1021 PolarHBondContact O-N 3.48Å; V1019-R1021 VanDerWaalsContact C-N 3.26Å; V1019-R1021 PolarHBondContact O-N 2.88Å; R1021-G1024 PolarHBondContact O-N 3.15Å; R1021-E1025 WeakPolarHBondContact CG-OE1 3.43Å; R1021-E1025 IonicContact CZ-OE1 3.49Å; R1021-E1025 IonicContact NH1-OE1 2.71Å; R1021-E1025 PolarHBondContact NH1-OE1 2.88Å; R1021-E1025 IonicContact NH1-OE2 3.47Å; R1021-E1025 PolarHBondContact NH1-OE2 3.49Å; R1021-E1025 PolarHBondContact O-N 2.81Å |
| 1022 | L | 86 | Confident | 85.6 | Confident | 92 Ų | 92 | 96.3 Ų | 96.3 | 48% | 0.482 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.2 | -35.1 | 179.8 | -71.6 | 170.6 | 0 | 0 | 0 | 112 | T1018 V1019 E1025 L1026 | T1018-L1022 WeakPolarHBondContact O-CB 3.35Å; T1018-L1022 VanDerWaalsContact O-CG 3.25Å; T1018-L1022 WeakPolarHBondContact O-CG 3.26Å; T1018-L1022 PolarHBondContact O-N 3.45Å; V1019-L1022 CarbonylContact O-C 3.58Å; V1019-L1022 PolarHBondContact O-N 2.78Å; V1019-L1022 VanDerWaalsContact O-N 3.07Å; L1022-E1025 PolarHBondContact O-N 2.84Å; L1022-L1026 WeakPolarHBondContact O-CB 3.48Å; L1022-L1026 PolarHBondContact O-N 2.69Å |
| 1023 | E | 86.3 | Confident | 85.5 | Confident | 114 Ų | 114 | 93 Ų | 93 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -63.5 | -41.9 | 170.4 | -73 | 177.8 | 164.7 | 0 | 0 | 111.5 | V1019 L1026 A1027 | V1019-E1023 HydrophobicContact CG1-CG 4.22Å; V1019-E1023 WeakPolarHBondContact O-CB 3.41Å; V1019-E1023 WeakPolarHBondContact O-CG 3.49Å; V1019-E1023 PolarHBondContact O-N 3.38Å; E1023-L1026 PolarHBondContact O-N 3.17Å; E1023-A1027 VanDerWaalsContact O-CB 3.32Å; E1023-A1027 WeakPolarHBondContact O-CB 3.24Å; E1023-A1027 PolarHBondContact O-N 2.83Å |
| 1024 | G | 86.7 | Confident | 85.4 | Confident | 42 Ų | 42 | 97.8 Ų | 97.8 | 43% | 0.433 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | N1020 R1021 A1027 A1028 | N1020-G1024 PolarHBondContact O-N 3.03Å; R1021-G1024 PolarHBondContact O-N 3.15Å; G1024-A1027 PolarHBondContact O-N 3.48Å; G1024-A1028 WeakPolarHBondContact O-CB 3.24Å; G1024-A1028 PolarHBondContact O-N 3.44Å |
| 1025 | E | 87.2 | Confident | 85.5 | Confident | 90 Ų | 90 | 98.7 Ų | 98.7 | 42% | 0.421 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.7 | -36.5 | 175.6 | -76 | 169.5 | -158.8 | 0 | 0 | 112.2 | R1021 L1022 A1028 R1029 | R1021-E1025 WeakPolarHBondContact CG-OE1 3.43Å; R1021-E1025 IonicContact CZ-OE1 3.49Å; R1021-E1025 IonicContact NH1-OE1 2.71Å; R1021-E1025 PolarHBondContact NH1-OE1 2.88Å; R1021-E1025 IonicContact NH1-OE2 3.47Å; R1021-E1025 PolarHBondContact NH1-OE2 3.49Å; R1021-E1025 PolarHBondContact O-N 2.81Å; L1022-E1025 PolarHBondContact O-N 2.84Å; E1025-A1028 PolarHBondContact O-N 2.69Å; E1025-R1029 WeakPolarHBondContact O-CB 3.16Å; E1025-R1029 WeakPolarHBondContact O-CG 3.44Å; E1025-R1029 PolarHBondContact O-N 2.85Å |
| 1026 | L | 84.2 | Confident | 85.4 | Confident | 114 Ų | 114 | 95.6 Ų | 95.6 | 60% | 0.597 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.4 | -42.2 | 173.3 | -176.3 | 68.2 | 0 | 0 | 0 | 111.2 | L1022 E1023 S1030 | L1022-L1026 WeakPolarHBondContact O-CB 3.48Å; L1022-L1026 PolarHBondContact O-N 2.69Å; E1023-L1026 PolarHBondContact O-N 3.17Å; L1026-S1030 VanDerWaalsContact O-CB 3.24Å; L1026-S1030 WeakPolarHBondContact O-CB 3.39Å; L1026-S1030 PolarHBondContact O-N 3.35Å; L1026-S1030 PolarHBondContact O-OG 2.96Å |
| 1027 | A | 86.6 | Confident | 85.1 | Confident | 56 Ų | 56 | 94.5 Ų | 94.5 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -63.1 | -47 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | E1023 G1024 R1029 S1030 D1031 | E1023-A1027 VanDerWaalsContact O-CB 3.32Å; E1023-A1027 WeakPolarHBondContact O-CB 3.24Å; E1023-A1027 PolarHBondContact O-N 2.83Å; G1024-A1027 PolarHBondContact O-N 3.48Å; A1027-R1029 PolarHBondContact O-N 2.81Å; A1027-S1030 WeakPolarHBondContact O-CB 3.39Å; A1027-S1030 PolarHBondContact O-N 2.87Å; A1027-D1031 PolarHBondContact O-N 3.49Å |
| 1028 | A | 85 | Confident | 85.1 | Confident | 65 Ų | 65 | 92.4 Ų | 92.4 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | G1024 E1025 D1031 A1032 | G1024-A1028 WeakPolarHBondContact O-CB 3.24Å; G1024-A1028 PolarHBondContact O-N 3.44Å; E1025-A1028 PolarHBondContact O-N 2.69Å; A1028-D1031 PolarHBondContact O-N 2.89Å; A1028-A1032 WeakPolarHBondContact O-CB 3.33Å; A1028-A1032 PolarHBondContact O-N 2.86Å |
| 1029 | R | 81.6 | Confident | 84.9 | Confident | 201 Ų | 201 | 93 Ų | 93 | 76% | 0.758 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -65.6 | -39 | 172.5 | -78.3 | -169.9 | 177.2 | -135.2 | 2.7 | 112.1 | E1025 A1027 A1032 L1033 | E1025-R1029 WeakPolarHBondContact O-CB 3.16Å; E1025-R1029 WeakPolarHBondContact O-CG 3.44Å; E1025-R1029 PolarHBondContact O-N 2.85Å; A1027-R1029 PolarHBondContact O-N 2.81Å; R1029-A1032 PolarHBondContact O-N 3.37Å; R1029-L1033 VanDerWaalsContact O-CB 3.28Å; R1029-L1033 WeakPolarHBondContact O-CB 3.46Å; R1029-L1033 PolarHBondContact O-N 3.39Å |
| 1030 | S | 83.7 | Confident | 84.7 | Confident | 65 Ų | 65 | 95.6 Ų | 95.6 | 46% | 0.455 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64 | -40.8 | 177.2 | -61.8 | 0 | 0 | 0 | 0 | 111.6 | L1026 A1027 L1033 R1034 | L1026-S1030 VanDerWaalsContact O-CB 3.24Å; L1026-S1030 WeakPolarHBondContact O-CB 3.39Å; L1026-S1030 PolarHBondContact O-N 3.35Å; L1026-S1030 PolarHBondContact O-OG 2.96Å; A1027-S1030 WeakPolarHBondContact O-CB 3.39Å; A1027-S1030 PolarHBondContact O-N 2.87Å; S1030-L1033 PolarHBondContact O-N 3.36Å; S1030-R1034 VanDerWaalsContact O-CB 3.24Å; S1030-R1034 WeakPolarHBondContact O-CB 3.44Å; S1030-R1034 PolarHBondContact O-N 3.09Å |
| 1031 | D | 84.8 | Confident | 84.4 | Confident | 85 Ų | 85 | 94.8 Ų | 94.8 | 46% | 0.455 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -71.8 | -35.5 | 175.3 | -103.5 | -18.5 | 0 | 0 | 0 | 113 | A1027 A1028 R1034 K1035 | A1027-D1031 PolarHBondContact O-N 3.49Å; A1028-D1031 PolarHBondContact O-N 2.89Å; D1031-R1034 PolarHBondContact O-N 3.31Å; D1031-R1034 IonicContact OD1-CZ 2.64Å; D1031-R1034 IonicContact OD1-NE 3.66Å; D1031-R1034 PolarHBondContact OD1-NE 3.03Å; D1031-R1034 IonicContact OD1-NH2 2.78Å; D1031-R1034 PolarHBondContact OD1-NH2 2.9Å; D1031-R1034 IonicContact OD2-NH2 3.71Å; D1031-K1035 WeakPolarHBondContact O-CB 3.19Å; D1031-K1035 PolarHBondContact O-N 2.76Å |
| 1032 | A | 84.6 | Confident | 84.3 | Confident | 62 Ų | 62 | 97 Ų | 97 | 51% | 0.512 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.2 | -42.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1028 R1029 K1035 A1036 | A1028-A1032 WeakPolarHBondContact O-CB 3.33Å; A1028-A1032 PolarHBondContact O-N 2.86Å; R1029-A1032 PolarHBondContact O-N 3.37Å; A1032-K1035 PolarHBondContact O-N 3.06Å; A1032-A1036 WeakPolarHBondContact O-CB 3.45Å; A1032-A1036 PolarHBondContact O-N 3.42Å |
| 1033 | L | 81.8 | Confident | 84.1 | Confident | 119 Ų | 119 | 97.7 Ų | 97.7 | 62% | 0.623 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -70.8 | -38 | 178.1 | -156 | 161.3 | 0 | 0 | 0 | 111.1 | R1029 S1030 A1036 T1037 | R1029-L1033 VanDerWaalsContact O-CB 3.28Å; R1029-L1033 WeakPolarHBondContact O-CB 3.46Å; R1029-L1033 PolarHBondContact O-N 3.39Å; S1030-L1033 PolarHBondContact O-N 3.36Å; L1033-A1036 PolarHBondContact O-N 3.5Å; L1033-T1037 WeakPolarHBondContact O-CB 3.46Å; L1033-T1037 PolarHBondContact O-N 3.04Å; L1033-T1037 PolarHBondContact O-OG1 3.06Å |
| 1034 | R | 84.1 | Confident | 84 | Confident | 162 Ų | 162 | 98 Ų | 98 | 61% | 0.611 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.4 | -45.3 | 170.1 | -175.2 | 171.4 | 70.9 | 110.9 | -7.3 | 111.3 | S1030 D1031 T1037 V1038 | S1030-R1034 VanDerWaalsContact O-CB 3.24Å; S1030-R1034 WeakPolarHBondContact O-CB 3.44Å; S1030-R1034 PolarHBondContact O-N 3.09Å; D1031-R1034 PolarHBondContact O-N 3.31Å; D1031-R1034 IonicContact OD1-CZ 2.64Å; D1031-R1034 IonicContact OD1-NE 3.66Å; D1031-R1034 PolarHBondContact OD1-NE 3.03Å; D1031-R1034 IonicContact OD1-NH2 2.78Å; D1031-R1034 PolarHBondContact OD1-NH2 2.9Å; D1031-R1034 IonicContact OD2-NH2 3.71Å; R1034-T1037 WeakPolarHBondContact O-CB 3.5Å; R1034-T1037 PolarHBondContact O-N 3.05Å; R1034-V1038 WeakPolarHBondContact O-CG2 3.23Å; R1034-V1038 PolarHBondContact O-N 2.89Å |
| 1035 | K | 84.8 | Confident | 83.7 | Confident | 142 Ų | 142 | 99.7 Ų | 99.7 | 62% | 0.617 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.9 | -47.2 | 176.1 | -173.7 | 179.5 | 177.1 | -174.3 | 0 | 111.7 | D1031 A1032 T1037 V1038 D1039 | D1031-K1035 WeakPolarHBondContact O-CB 3.19Å; D1031-K1035 PolarHBondContact O-N 2.76Å; A1032-K1035 PolarHBondContact O-N 3.06Å; K1035-T1037 VanDerWaalsContact C-N 3.25Å; K1035-T1037 PolarHBondContact O-N 3.26Å; K1035-V1038 WeakPolarHBondContact O-CB 3.44Å; K1035-V1038 PolarHBondContact O-N 2.88Å; K1035-V1038 VanDerWaalsContact O-N 3.07Å; K1035-D1039 PolarHBondContact O-N 3.47Å |
| 1036 | A | 81.7 | Confident | 83.6 | Confident | 47 Ų | 47 | 100.6 Ų | 100.6 | 39% | 0.388 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -58.2 | -38.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | A1032 L1033 D1039 I1040 | A1032-A1036 WeakPolarHBondContact O-CB 3.45Å; A1032-A1036 PolarHBondContact O-N 3.42Å; L1033-A1036 PolarHBondContact O-N 3.5Å; A1036-D1039 PolarHBondContact O-N 3.27Å; A1036-I1040 VanDerWaalsContact O-CB 3.29Å; A1036-I1040 WeakPolarHBondContact O-CB 3.49Å; A1036-I1040 WeakPolarHBondContact O-CD1 3.42Å; A1036-I1040 WeakPolarHBondContact O-CG1 3.45Å; A1036-I1040 PolarHBondContact O-N 3.15Å |
| 1037 | T | 81.9 | Confident | 83.4 | Confident | 71 Ų | 71 | 99.8 Ų | 99.8 | 44% | 0.436 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.5 | -39.3 | 174.7 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | L1033 R1034 K1035 T1041 | L1033-T1037 WeakPolarHBondContact O-CB 3.46Å; L1033-T1037 PolarHBondContact O-N 3.04Å; L1033-T1037 PolarHBondContact O-OG1 3.06Å; R1034-T1037 WeakPolarHBondContact O-CB 3.5Å; R1034-T1037 PolarHBondContact O-N 3.05Å; K1035-T1037 VanDerWaalsContact C-N 3.25Å; K1035-T1037 PolarHBondContact O-N 3.26Å; T1037-T1041 WeakPolarHBondContact O-CB 3.33Å; T1037-T1041 WeakPolarHBondContact O-CG2 3.32Å; T1037-T1041 PolarHBondContact O-N 3.17Å; T1037-T1041 PolarHBondContact O-OG1 3.34Å |
| 1038 | V | 85.8 | Confident | 83.2 | Confident | 82 Ų | 82 | 101 Ų | 101 | 50% | 0.497 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.4 | -43.2 | 174 | 170 | 0 | 0 | 0 | 0 | 111.4 | R1034 K1035 T1041 R1042 | R1034-V1038 WeakPolarHBondContact O-CG2 3.23Å; R1034-V1038 PolarHBondContact O-N 2.89Å; K1035-V1038 WeakPolarHBondContact O-CB 3.44Å; K1035-V1038 PolarHBondContact O-N 2.88Å; K1035-V1038 VanDerWaalsContact O-N 3.07Å; V1038-T1041 WeakPolarHBondContact CA-OG1 3.36Å; V1038-T1041 PolarHBondContact O-N 2.87Å; V1038-T1041 PolarHBondContact O-OG1 2.73Å; V1038-T1041 VanDerWaalsContact O-OG1 3.11Å; V1038-R1042 WeakPolarHBondContact O-CB 3.47Å; V1038-R1042 PolarHBondContact O-N 3.35Å |
| 1039 | D | 84 | Confident | 83.1 | Confident | 66 Ų | 66 | 100.7 Ų | 100.7 | 35% | 0.353 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -70.6 | -37.2 | 178.7 | -74.2 | -42.6 | 0 | 0 | 0 | 112 | K1035 A1036 M1043 | K1035-D1039 PolarHBondContact O-N 3.47Å; A1036-D1039 PolarHBondContact O-N 3.27Å; D1039-M1043 WeakPolarHBondContact O-CB 3.49Å; D1039-M1043 VanDerWaalsContact O-CG 3.28Å; D1039-M1043 WeakPolarHBondContact O-CG 3.16Å; D1039-M1043 PolarHBondContact O-N 3.4Å |
| 1040 | I | 80.5 | Confident | 83.2 | Confident | 116 Ų | 116 | 95.1 Ų | 95.1 | 60% | 0.595 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -64.3 | -47.6 | 171.6 | -72.1 | 165.7 | 0 | 0 | 0 | 111.1 | A1036 M1043 K1044 | A1036-I1040 VanDerWaalsContact O-CB 3.29Å; A1036-I1040 WeakPolarHBondContact O-CB 3.49Å; A1036-I1040 WeakPolarHBondContact O-CD1 3.42Å; A1036-I1040 WeakPolarHBondContact O-CG1 3.45Å; A1036-I1040 PolarHBondContact O-N 3.15Å; I1040-M1043 PolarHBondContact O-N 3.38Å; I1040-K1044 WeakPolarHBondContact O-CB 3.32Å; I1040-K1044 PolarHBondContact O-N 2.82Å |
| 1041 | T | 82.5 | Confident | 83.1 | Confident | 73 Ų | 73 | 97.5 Ų | 97.5 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66 | -39.1 | 178.3 | 47.6 | 0 | 0 | 0 | 0 | 111.7 | T1037 V1038 K1044 T1045 | T1037-T1041 WeakPolarHBondContact O-CB 3.33Å; T1037-T1041 WeakPolarHBondContact O-CG2 3.32Å; T1037-T1041 PolarHBondContact O-N 3.17Å; T1037-T1041 PolarHBondContact O-OG1 3.34Å; V1038-T1041 WeakPolarHBondContact CA-OG1 3.36Å; V1038-T1041 PolarHBondContact O-N 2.87Å; V1038-T1041 PolarHBondContact O-OG1 2.73Å; V1038-T1041 VanDerWaalsContact O-OG1 3.11Å; T1041-K1044 PolarHBondContact O-N 3.08Å; T1041-T1045 WeakPolarHBondContact O-CG2 3.29Å; T1041-T1045 PolarHBondContact O-N 2.76Å; T1041-T1045 PolarHBondContact O-OG1 2.85Å |
| 1042 | R | 85.9 | Confident | 83.2 | Confident | 172 Ų | 172 | 100.3 Ų | 100.3 | 65% | 0.649 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -59 | -50.1 | 171.3 | -178.6 | -178.8 | 176.9 | -159.5 | -0.6 | 111.9 | V1038 K1044 T1045 K1046 | V1038-R1042 WeakPolarHBondContact O-CB 3.47Å; V1038-R1042 PolarHBondContact O-N 3.35Å; R1042-K1044 VanDerWaalsContact C-N 3.33Å; R1042-K1044 PolarHBondContact O-N 3.43Å; R1042-T1045 WeakPolarHBondContact CA-OG1 3.45Å; R1042-T1045 PolarHBondContact O-N 2.75Å; R1042-T1045 PolarHBondContact O-OG1 3.07Å; R1042-K1046 PolarHBondContact O-N 2.8Å |
| 1043 | M | 83.3 | Confident | 83.2 | Confident | 108 Ų | 108 | 102.2 Ų | 102.2 | 53% | 0.532 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.8 | -40.3 | 177.3 | -75.6 | -67.1 | -78.2 | 0 | 0 | 112 | D1039 I1040 K1046 H1047 | D1039-M1043 WeakPolarHBondContact O-CB 3.49Å; D1039-M1043 VanDerWaalsContact O-CG 3.28Å; D1039-M1043 WeakPolarHBondContact O-CG 3.16Å; D1039-M1043 PolarHBondContact O-N 3.4Å; I1040-M1043 PolarHBondContact O-N 3.38Å; M1043-K1046 PolarHBondContact O-N 3.25Å; M1043-H1047 PolarHBondContact O-N 2.85Å; M1043-H1047 PolarHBondContact O-ND1 2.97Å |
| 1044 | K | 83 | Confident | 83.3 | Confident | 121 Ų | 121 | 103.6 Ų | 103.6 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61.6 | -49 | 173.9 | -171.4 | 173.1 | -172.9 | -81.8 | 0 | 111.4 | I1040 T1041 R1042 K1046 H1047 E1048 | I1040-K1044 WeakPolarHBondContact O-CB 3.32Å; I1040-K1044 PolarHBondContact O-N 2.82Å; T1041-K1044 PolarHBondContact O-N 3.08Å; R1042-K1044 VanDerWaalsContact C-N 3.33Å; R1042-K1044 PolarHBondContact O-N 3.43Å; K1044-K1046 VanDerWaalsContact C-N 3.29Å; K1044-K1046 PolarHBondContact O-N 3.07Å; K1044-H1047 PolarHBondContact O-N 3.44Å; K1044-E1048 WeakPolarHBondContact CE-OE1 3.37Å; K1044-E1048 HydrophobicContact CG-CG 4.43Å; K1044-E1048 IonicContact NZ-OE1 2.68Å; K1044-E1048 PolarHBondContact NZ-OE1 3.22Å; K1044-E1048 WeakPolarHBondContact O-CB 3.38Å; K1044-E1048 WeakPolarHBondContact O-CG 3.4Å; K1044-E1048 PolarHBondContact O-N 3.43Å |
| 1045 | T | 81.5 | Confident | 83.3 | Confident | 76 Ų | 76 | 99.2 Ų | 99.2 | 47% | 0.466 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -60.6 | -37 | 176.9 | 55.8 | 0 | 0 | 0 | 0 | 112.6 | T1041 R1042 E1048 T1049 | T1041-T1045 WeakPolarHBondContact O-CG2 3.29Å; T1041-T1045 PolarHBondContact O-N 2.76Å; T1041-T1045 PolarHBondContact O-OG1 2.85Å; R1042-T1045 WeakPolarHBondContact CA-OG1 3.45Å; R1042-T1045 PolarHBondContact O-N 2.75Å; R1042-T1045 PolarHBondContact O-OG1 3.07Å; T1045-E1048 PolarHBondContact O-N 3.48Å; T1045-T1049 PolarHBondContact O-N 3.03Å; T1045-T1049 PolarHBondContact O-OG1 2.67Å; T1045-T1049 VanDerWaalsContact O-OG1 3.1Å |
| 1046 | K | 83.5 | Confident | 83.2 | Confident | 110 Ų | 110 | 97 Ų | 97 | 48% | 0.478 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 176.3 | -172 | 172.8 | -176.2 | -73.1 | 0 | 112.4 | R1042 M1043 K1044 T1049 E1050 | R1042-K1046 PolarHBondContact O-N 2.8Å; M1043-K1046 PolarHBondContact O-N 3.25Å; K1044-K1046 VanDerWaalsContact C-N 3.29Å; K1044-K1046 PolarHBondContact O-N 3.07Å; K1046-T1049 WeakPolarHBondContact CA-OG1 3.3Å; K1046-T1049 PolarHBondContact O-N 2.91Å; K1046-T1049 PolarHBondContact O-OG1 2.98Å; K1046-E1050 WeakPolarHBondContact CE-OE1 3.25Å; K1046-E1050 WeakPolarHBondContact CG-OE1 3.45Å; K1046-E1050 IonicContact NZ-OE1 2.67Å; K1046-E1050 PolarHBondContact NZ-OE1 2.93Å; K1046-E1050 WeakPolarHBondContact O-CB 3.45Å; K1046-E1050 WeakPolarHBondContact O-CG 3.49Å; K1046-E1050 PolarHBondContact O-N 3.47Å |
| 1047 | H | 80.5 | Confident | 83.4 | Confident | 96 Ų | 96 | 101.4 Ų | 101.4 | 44% | 0.444 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69 | -35.7 | 174.3 | -72 | 74.7 | 0 | 0 | 0 | 111.8 | M1043 K1044 E1050 L1051 | M1043-H1047 PolarHBondContact O-N 2.85Å; M1043-H1047 PolarHBondContact O-ND1 2.97Å; K1044-H1047 PolarHBondContact O-N 3.44Å; H1047-E1050 PolarHBondContact O-N 3.43Å; H1047-L1051 VanDerWaalsContact O-CB 3.25Å; H1047-L1051 WeakPolarHBondContact O-CB 3.35Å; H1047-L1051 VanDerWaalsContact O-CG 3.22Å; H1047-L1051 WeakPolarHBondContact O-CG 3.45Å; H1047-L1051 PolarHBondContact O-N 2.8Å |
| 1048 | E | 82.2 | Confident | 83.3 | Confident | 81 Ų | 81 | 103 Ų | 103 | 38% | 0.379 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -67.6 | -33.2 | 174.4 | -75.4 | 176.1 | 172 | 0 | 0 | 113 | K1044 T1045 R1052 | K1044-E1048 WeakPolarHBondContact CE-OE1 3.37Å; K1044-E1048 HydrophobicContact CG-CG 4.43Å; K1044-E1048 IonicContact NZ-OE1 2.68Å; K1044-E1048 PolarHBondContact NZ-OE1 3.22Å; K1044-E1048 WeakPolarHBondContact O-CB 3.38Å; K1044-E1048 WeakPolarHBondContact O-CG 3.4Å; K1044-E1048 PolarHBondContact O-N 3.43Å; T1045-E1048 PolarHBondContact O-N 3.48Å; E1048-R1052 WeakPolarHBondContact O-CB 3.48Å; E1048-R1052 PolarHBondContact O-N 2.88Å; E1048-R1052 VanDerWaalsContact O-N 3.09Å |
| 1049 | T | 82.4 | Confident | 83.2 | Confident | 59 Ų | 59 | 103.1 Ų | 103.1 | 36% | 0.362 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -71.8 | -46.7 | 169.9 | 47.3 | 0 | 0 | 0 | 0 | 111.4 | T1045 K1046 L1051 R1052 D1053 | T1045-T1049 PolarHBondContact O-N 3.03Å; T1045-T1049 PolarHBondContact O-OG1 2.67Å; T1045-T1049 VanDerWaalsContact O-OG1 3.1Å; K1046-T1049 WeakPolarHBondContact CA-OG1 3.3Å; K1046-T1049 PolarHBondContact O-N 2.91Å; K1046-T1049 PolarHBondContact O-OG1 2.98Å; T1049-L1051 VanDerWaalsContact C-N 3.32Å; T1049-L1051 PolarHBondContact O-N 2.87Å; T1049-R1052 WeakPolarHBondContact O-CA 3.33Å; T1049-R1052 WeakPolarHBondContact O-CB 3.44Å; T1049-R1052 PolarHBondContact O-N 2.67Å; T1049-D1053 PolarHBondContact O-N 3.48Å |
| 1050 | E | 85 | Confident | 83.2 | Confident | 85 Ų | 85 | 101.5 Ų | 101.5 | 40% | 0.397 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62.7 | -38.1 | 179.6 | -75.1 | 168.8 | -166.7 | 0 | 0 | 112.5 | K1046 H1047 K1054 | K1046-E1050 WeakPolarHBondContact CE-OE1 3.25Å; K1046-E1050 WeakPolarHBondContact CG-OE1 3.45Å; K1046-E1050 IonicContact NZ-OE1 2.67Å; K1046-E1050 PolarHBondContact NZ-OE1 2.93Å; K1046-E1050 WeakPolarHBondContact O-CB 3.45Å; K1046-E1050 WeakPolarHBondContact O-CG 3.49Å; K1046-E1050 PolarHBondContact O-N 3.47Å; H1047-E1050 PolarHBondContact O-N 3.43Å; E1050-K1054 WeakPolarHBondContact O-CB 3.39Å; E1050-K1054 PolarHBondContact O-N 2.98Å; E1050-K1054 VanDerWaalsContact O-N 3.12Å |
| 1051 | L | 82.3 | Confident | 83.2 | Confident | 115 Ų | 115 | 98.8 Ų | 98.8 | 60% | 0.602 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.7 | -35 | 172.5 | -72.3 | 170.3 | 0 | 0 | 0 | 112.3 | H1047 T1049 T1055 | H1047-L1051 VanDerWaalsContact O-CB 3.25Å; H1047-L1051 WeakPolarHBondContact O-CB 3.35Å; H1047-L1051 VanDerWaalsContact O-CG 3.22Å; H1047-L1051 WeakPolarHBondContact O-CG 3.45Å; H1047-L1051 PolarHBondContact O-N 2.8Å; T1049-L1051 VanDerWaalsContact C-N 3.32Å; T1049-L1051 PolarHBondContact O-N 2.87Å; L1051-T1055 VanDerWaalsContact O-CB 3.24Å; L1051-T1055 WeakPolarHBondContact O-CB 3.44Å; L1051-T1055 PolarHBondContact O-N 3.43Å; L1051-T1055 PolarHBondContact O-OG1 3.32Å |
| 1052 | R | 85.9 | Confident | 83.1 | Confident | 143 Ų | 143 | 100.7 Ų | 100.7 | 54% | 0.54 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -53 | 175.8 | -175 | -176.6 | -51.7 | 164.1 | 8.5 | 111.2 | E1048 T1049 K1054 T1055 D1056 | E1048-R1052 WeakPolarHBondContact O-CB 3.48Å; E1048-R1052 PolarHBondContact O-N 2.88Å; E1048-R1052 VanDerWaalsContact O-N 3.09Å; T1049-R1052 WeakPolarHBondContact O-CA 3.33Å; T1049-R1052 WeakPolarHBondContact O-CB 3.44Å; T1049-R1052 PolarHBondContact O-N 2.67Å; R1052-K1054 PolarHBondContact O-N 2.83Å; R1052-T1055 CarbonylContact O-C 3.51Å; R1052-T1055 WeakPolarHBondContact O-CA 3.41Å; R1052-T1055 WeakPolarHBondContact O-CB 3.45Å; R1052-T1055 PolarHBondContact O-N 2.86Å; R1052-D1056 PolarHBondContact O-N 2.94Å |
| 1053 | D | 85.3 | Confident | 83.1 | Confident | 103 Ų | 103 | 99.6 Ų | 99.6 | 55% | 0.551 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -58.1 | -38.9 | 179.7 | -60.1 | -18.2 | 0 | 0 | 0 | 110.9 | T1049 H1057 | T1049-D1053 PolarHBondContact O-N 3.48Å; D1053-H1057 VanDerWaalsContact O-CB 3.29Å; D1053-H1057 WeakPolarHBondContact O-CB 3.47Å; D1053-H1057 PolarHBondContact O-N 2.89Å |
| 1054 | K | 83.9 | Confident | 83.1 | Confident | 148 Ų | 148 | 100.2 Ų | 100.2 | 64% | 0.643 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -72.1 | -33.7 | 175.5 | -156.3 | 166.9 | -166.5 | 171.5 | 0 | 112.7 | E1050 R1052 L1058 | E1050-K1054 WeakPolarHBondContact O-CB 3.39Å; E1050-K1054 PolarHBondContact O-N 2.98Å; E1050-K1054 VanDerWaalsContact O-N 3.12Å; R1052-K1054 PolarHBondContact O-N 2.83Å; K1054-L1058 WeakPolarHBondContact O-CB 3.44Å; K1054-L1058 VanDerWaalsContact O-CG 3.23Å; K1054-L1058 WeakPolarHBondContact O-CG 3.4Å; K1054-L1058 PolarHBondContact O-N 2.75Å |
| 1055 | T | 82.8 | Confident | 82.9 | Confident | 70 Ų | 70 | 100.4 Ų | 100.4 | 43% | 0.429 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.1 | -42.4 | 172.7 | -61.3 | 0 | 0 | 0 | 0 | 111.4 | L1051 R1052 L1058 N1059 | L1051-T1055 VanDerWaalsContact O-CB 3.24Å; L1051-T1055 WeakPolarHBondContact O-CB 3.44Å; L1051-T1055 PolarHBondContact O-N 3.43Å; L1051-T1055 PolarHBondContact O-OG1 3.32Å; R1052-T1055 CarbonylContact O-C 3.51Å; R1052-T1055 WeakPolarHBondContact O-CA 3.41Å; R1052-T1055 WeakPolarHBondContact O-CB 3.45Å; R1052-T1055 PolarHBondContact O-N 2.86Å; T1055-L1058 PolarHBondContact O-N 3.27Å; T1055-N1059 WeakPolarHBondContact O-CB 3.35Å; T1055-N1059 VanDerWaalsContact O-CG 3.26Å; T1055-N1059 PolarHBondContact O-N 3.49Å; T1055-N1059 PolarHBondContact O-ND2 3.33Å |
| 1056 | D | 84.5 | Confident | 83 | Confident | 95 Ų | 95 | 101.1 Ų | 101.1 | 51% | 0.508 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.9 | -35.8 | 178.3 | -70 | -25 | 0 | 0 | 0 | 111.4 | R1052 N1059 G1060 | R1052-D1056 PolarHBondContact O-N 2.94Å; D1056-N1059 PolarHBondContact O-N 3.15Å; D1056-G1060 PolarHBondContact O-N 3.36Å |
| 1057 | H | 84.3 | Confident | 83 | Confident | 139 Ų | 139 | 98.6 Ų | 98.6 | 64% | 0.644 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -63.6 | -45.2 | 169.3 | -175.2 | 78 | 0 | 0 | 0 | 112.4 | D1053 G1060 S1061 | D1053-H1057 VanDerWaalsContact O-CB 3.29Å; D1053-H1057 WeakPolarHBondContact O-CB 3.47Å; D1053-H1057 PolarHBondContact O-N 2.89Å; H1057-G1060 PolarHBondContact O-N 3.03Å; H1057-S1061 WeakPolarHBondContact O-CB 3.43Å; H1057-S1061 PolarHBondContact O-N 3.04Å |
| 1058 | L | 81.3 | Confident | 83.2 | Confident | 105 Ų | 105 | 100.1 Ų | 100.1 | 55% | 0.55 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65 | -40 | 176 | -75.5 | 169.7 | 0 | 0 | 0 | 112.2 | K1054 T1055 S1061 L1062 | K1054-L1058 WeakPolarHBondContact O-CB 3.44Å; K1054-L1058 VanDerWaalsContact O-CG 3.23Å; K1054-L1058 WeakPolarHBondContact O-CG 3.4Å; K1054-L1058 PolarHBondContact O-N 2.75Å; T1055-L1058 PolarHBondContact O-N 3.27Å; L1058-S1061 PolarHBondContact O-N 2.86Å; L1058-L1062 WeakPolarHBondContact O-CB 3.43Å; L1058-L1062 PolarHBondContact O-N 3.18Å |
| 1059 | N | 82.2 | Confident | 83.2 | Confident | 85 Ų | 85 | 104.9 Ų | 104.9 | 46% | 0.455 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 173.3 | -76.9 | -29.2 | 0 | 0 | 0 | 111.7 | T1055 D1056 L1062 Y1063 | T1055-N1059 WeakPolarHBondContact O-CB 3.35Å; T1055-N1059 VanDerWaalsContact O-CG 3.26Å; T1055-N1059 PolarHBondContact O-N 3.49Å; T1055-N1059 PolarHBondContact O-ND2 3.33Å; D1056-N1059 PolarHBondContact O-N 3.15Å; N1059-L1062 PolarHBondContact O-N 2.79Å; N1059-Y1063 WeakPolarHBondContact O-CB 3.38Å; N1059-Y1063 PolarHBondContact O-N 2.91Å |
| 1060 | G | 83.9 | Confident | 83.3 | Confident | 32 Ų | 32 | 106 Ų | 106 | 33% | 0.33 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | D1056 H1057 Y1063 Q1064 | D1056-G1060 PolarHBondContact O-N 3.36Å; H1057-G1060 PolarHBondContact O-N 3.03Å; G1060-Y1063 PolarHBondContact O-N 3.49Å; G1060-Q1064 WeakPolarHBondContact O-CG 3.3Å; G1060-Q1064 PolarHBondContact O-N 3.41Å; G1060-Q1064 VanDerWaalsContact O-N 3.07Å |
| 1061 | S | 81.5 | Confident | 83.3 | Confident | 58 Ų | 58 | 108.3 Ų | 108.3 | 41% | 0.406 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -44.1 | 174.4 | -169.8 | 0 | 0 | 0 | 0 | 112.1 | H1057 L1058 Y1063 Q1064 M1065 | H1057-S1061 WeakPolarHBondContact O-CB 3.43Å; H1057-S1061 PolarHBondContact O-N 3.04Å; L1058-S1061 PolarHBondContact O-N 2.86Å; S1061-Y1063 PolarHBondContact O-N 3.19Å; S1061-Q1064 PolarHBondContact O-N 2.96Å; S1061-M1065 PolarHBondContact O-N 3.26Å |
| 1062 | L | 79.9 | Confident | 83.1 | Confident | 113 Ų | 113 | 105 Ų | 105 | 59% | 0.592 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -58.5 | -45.3 | 172.8 | -96.8 | 166.7 | 0 | 0 | 0 | 111.8 | L1058 N1059 Q1064 M1065 E1066 | L1058-L1062 WeakPolarHBondContact O-CB 3.43Å; L1058-L1062 PolarHBondContact O-N 3.18Å; N1059-L1062 PolarHBondContact O-N 2.79Å; L1062-Q1064 VanDerWaalsContact C-N 3.31Å; L1062-Q1064 PolarHBondContact O-N 2.82Å; L1062-M1065 PolarHBondContact O-N 3.35Å; L1062-E1066 VanDerWaalsContact O-CB 3.3Å; L1062-E1066 WeakPolarHBondContact O-CB 3.42Å; L1062-E1066 PolarHBondContact O-N 3.49Å |
| 1063 | Y | 85 | Confident | 82.9 | Confident | 150 Ų | 150 | 100 Ų | 100 | 59% | 0.588 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.5 | -34.3 | 177.8 | -174.3 | -106.8 | 0 | 0 | 0 | 112.5 | N1059 G1060 S1061 N1067 | N1059-Y1063 WeakPolarHBondContact O-CB 3.38Å; N1059-Y1063 PolarHBondContact O-N 2.91Å; G1060-Y1063 PolarHBondContact O-N 3.49Å; S1061-Y1063 PolarHBondContact O-N 3.19Å; Y1063-N1067 WeakPolarHBondContact CD1-ND2 3.32Å; Y1063-N1067 WeakPolarHBondContact CE1-ND2 3.48Å; Y1063-N1067 VanDerWaalsContact CZ-ND2 3.3Å; Y1063-N1067 WeakPolarHBondContact O-CB 3.49Å; Y1063-N1067 PolarHBondContact O-N 2.88Å; Y1063-N1067 VanDerWaalsContact O-N 3.08Å; Y1063-N1067 PolarHBondContact O-ND2 2.8Å |
| 1064 | Q | 83.4 | Confident | 82.9 | Confident | 120 Ų | 120 | 101.4 Ų | 101.4 | 56% | 0.561 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.9 | -41.9 | 171.8 | -71.8 | -178.6 | 36.8 | 0 | 0 | 112.4 | G1060 S1061 L1062 K1068 | G1060-Q1064 WeakPolarHBondContact O-CG 3.3Å; G1060-Q1064 PolarHBondContact O-N 3.41Å; G1060-Q1064 VanDerWaalsContact O-N 3.07Å; S1061-Q1064 PolarHBondContact O-N 2.96Å; L1062-Q1064 VanDerWaalsContact C-N 3.31Å; L1062-Q1064 PolarHBondContact O-N 2.82Å; Q1064-K1068 WeakPolarHBondContact O-CB 3.38Å; Q1064-K1068 WeakPolarHBondContact O-CG 3.49Å; Q1064-K1068 PolarHBondContact O-N 2.86Å |
| 1065 | M | 78.8 | Confident | 82.8 | Confident | 125 Ų | 125 | 99.4 Ų | 99.4 | 62% | 0.616 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -62.4 | -44.5 | 174.4 | -78.8 | -75.8 | -78.8 | 0 | 0 | 111.7 | S1061 L1062 N1067 K1068 W1069 | S1061-M1065 PolarHBondContact O-N 3.26Å; L1062-M1065 PolarHBondContact O-N 3.35Å; M1065-N1067 PolarHBondContact O-N 3.44Å; M1065-K1068 PolarHBondContact O-N 2.75Å; M1065-W1069 WeakPolarHBondContact O-CB 3.43Å; M1065-W1069 PolarHBondContact O-N 3.31Å |
| 1066 | E | 83.6 | Confident | 82.7 | Confident | 92 Ų | 92 | 100.3 Ų | 100.3 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -67.2 | -36.8 | -179.1 | -157.1 | -152.2 | -178.1 | 0 | 0 | 111.7 | L1062 W1069 K1070 | L1062-E1066 VanDerWaalsContact O-CB 3.3Å; L1062-E1066 WeakPolarHBondContact O-CB 3.42Å; L1062-E1066 PolarHBondContact O-N 3.49Å; E1066-W1069 PolarHBondContact O-N 2.9Å; E1066-K1070 WeakPolarHBondContact O-CB 3.49Å; E1066-K1070 WeakPolarHBondContact O-CD 3.3Å; E1066-K1070 VanDerWaalsContact O-CG 3.24Å; E1066-K1070 WeakPolarHBondContact O-CG 3.4Å; E1066-K1070 PolarHBondContact O-N 2.87Å; E1066-K1070 VanDerWaalsContact OE1-CE 3.26Å; E1066-K1070 WeakPolarHBondContact OE1-CE 3.38Å; E1066-K1070 IonicContact OE1-NZ 2.92Å; E1066-K1070 PolarHBondContact OE1-NZ 2.81Å; E1066-K1070 IonicContact OE2-NZ 2.62Å; E1066-K1070 PolarHBondContact OE2-NZ 3.2Å |
| 1067 | N | 84.4 | Confident | 82.6 | Confident | 56 Ų | 56 | 102.2 Ų | 102.2 | 30% | 0.299 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -68 | -44.4 | 172 | -79.5 | -56.5 | 0 | 0 | 0 | 112.2 | Y1063 M1065 W1069 K1070 E1071 | Y1063-N1067 WeakPolarHBondContact CD1-ND2 3.32Å; Y1063-N1067 WeakPolarHBondContact CE1-ND2 3.48Å; Y1063-N1067 VanDerWaalsContact CZ-ND2 3.3Å; Y1063-N1067 WeakPolarHBondContact O-CB 3.49Å; Y1063-N1067 PolarHBondContact O-N 2.88Å; Y1063-N1067 VanDerWaalsContact O-N 3.08Å; Y1063-N1067 PolarHBondContact O-ND2 2.8Å; M1065-N1067 PolarHBondContact O-N 3.44Å; N1067-W1069 PolarHBondContact O-N 3.43Å; N1067-K1070 CarbonylContact O-C 3.51Å; N1067-K1070 PolarHBondContact O-N 3.44Å; N1067-K1070 VanDerWaalsContact O-N 3.16Å; N1067-E1071 WeakPolarHBondContact O-CG 3.47Å; N1067-E1071 PolarHBondContact O-N 2.89Å |
| 1068 | K | 84.9 | Confident | 82.6 | Confident | 129 Ų | 129 | 101.7 Ų | 101.7 | 56% | 0.561 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -59 | -37.1 | 172.9 | -74.4 | 171.8 | -179.9 | 174.8 | 0 | 112 | Q1064 M1065 E1071 A1072 | Q1064-K1068 WeakPolarHBondContact O-CB 3.38Å; Q1064-K1068 WeakPolarHBondContact O-CG 3.49Å; Q1064-K1068 PolarHBondContact O-N 2.86Å; M1065-K1068 PolarHBondContact O-N 2.75Å; K1068-E1071 PolarHBondContact O-N 2.92Å; K1068-A1072 WeakPolarHBondContact O-CB 3.35Å; K1068-A1072 PolarHBondContact O-N 3.37Å |
| 1069 | W | 81.9 | Confident | 82.5 | Confident | 181 Ų | 181 | 100.9 Ų | 100.9 | 69% | 0.686 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -69.3 | -40.7 | 175.9 | -158.6 | 83.7 | 0 | 0 | 0 | 111.9 | M1065 E1066 N1067 E1071 A1072 C1073 | M1065-W1069 WeakPolarHBondContact O-CB 3.43Å; M1065-W1069 PolarHBondContact O-N 3.31Å; E1066-W1069 PolarHBondContact O-N 2.9Å; N1067-W1069 PolarHBondContact O-N 3.43Å; W1069-E1071 VanDerWaalsContact C-N 3.32Å; W1069-E1071 PolarHBondContact O-N 2.98Å; W1069-A1072 PolarHBondContact O-N 2.95Å; W1069-C1073 VanDerWaalsContact CE3-SG 3.53Å; W1069-C1073 WeakPolarHBondContact CZ3-SG 3.24Å; W1069-C1073 PolarHBondContact O-N 3.34Å; W1069-C1073 PolarHBondContact O-SG 3.34Å |
| 1070 | K | 85 | Confident | 82.4 | Confident | 83 Ų | 83 | 101.8 Ų | 101.8 | 36% | 0.361 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.5 | -32.3 | 172.2 | -73.1 | 162.7 | -175.7 | 168.7 | 0 | 112.7 | E1066 N1067 K1074 | E1066-K1070 WeakPolarHBondContact O-CB 3.49Å; E1066-K1070 WeakPolarHBondContact O-CD 3.3Å; E1066-K1070 VanDerWaalsContact O-CG 3.24Å; E1066-K1070 WeakPolarHBondContact O-CG 3.4Å; E1066-K1070 PolarHBondContact O-N 2.87Å; E1066-K1070 VanDerWaalsContact OE1-CE 3.26Å; E1066-K1070 WeakPolarHBondContact OE1-CE 3.38Å; E1066-K1070 IonicContact OE1-NZ 2.92Å; E1066-K1070 PolarHBondContact OE1-NZ 2.81Å; E1066-K1070 IonicContact OE2-NZ 2.62Å; E1066-K1070 PolarHBondContact OE2-NZ 3.2Å; N1067-K1070 CarbonylContact O-C 3.51Å; N1067-K1070 PolarHBondContact O-N 3.44Å; N1067-K1070 VanDerWaalsContact O-N 3.16Å; K1070-K1074 VanDerWaalsContact O-CG 3.31Å; K1070-K1074 WeakPolarHBondContact O-CG 3.37Å; K1070-K1074 PolarHBondContact O-N 2.91Å |
| 1071 | E | 84.5 | Confident | 82.3 | Confident | 132 Ų | 132 | 107 Ų | 107 | 62% | 0.617 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -72.4 | -42.9 | 172 | -72.5 | 179.1 | 159.5 | 0 | 0 | 111.9 | N1067 K1068 W1069 C1073 K1074 M1075 | N1067-E1071 WeakPolarHBondContact O-CG 3.47Å; N1067-E1071 PolarHBondContact O-N 2.89Å; K1068-E1071 PolarHBondContact O-N 2.92Å; W1069-E1071 VanDerWaalsContact C-N 3.32Å; W1069-E1071 PolarHBondContact O-N 2.98Å; E1071-C1073 PolarHBondContact O-N 2.95Å; E1071-K1074 PolarHBondContact O-N 3.26Å; E1071-M1075 PolarHBondContact O-N 2.83Å |
| 1072 | A | 79.2 | Confident | 82.3 | Confident | 46 Ų | 46 | 109.3 Ų | 109.3 | 38% | 0.38 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.1 | -43.7 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1068 W1069 K1074 M1075 I1076 | K1068-A1072 WeakPolarHBondContact O-CB 3.35Å; K1068-A1072 PolarHBondContact O-N 3.37Å; W1069-A1072 PolarHBondContact O-N 2.95Å; A1072-K1074 PolarHBondContact O-N 2.94Å; A1072-M1075 WeakPolarHBondContact O-CB 3.13Å; A1072-M1075 PolarHBondContact O-N 2.9Å; A1072-M1075 VanDerWaalsContact O-N 3.11Å; A1072-I1076 WeakPolarHBondContact O-CG1 3.47Å; A1072-I1076 PolarHBondContact O-N 2.78Å |
| 1073 | C | 81.7 | Confident | 82.1 | Confident | 37 Ų | 37 | 111.5 Ų | 111.5 | 25% | 0.25 | 51% | 0.513 | C | S | . | . | H | α-helix | trans | -61.2 | -42.9 | 175.6 | -67.7 | 0 | 0 | 0 | 0 | 112.2 | W1069 E1071 M1075 I1076 E1077 | W1069-C1073 VanDerWaalsContact CE3-SG 3.53Å; W1069-C1073 WeakPolarHBondContact CZ3-SG 3.24Å; W1069-C1073 PolarHBondContact O-N 3.34Å; W1069-C1073 PolarHBondContact O-SG 3.34Å; E1071-C1073 PolarHBondContact O-N 2.95Å; C1073-M1075 VanDerWaalsContact C-N 3.26Å; C1073-M1075 PolarHBondContact O-N 3.47Å; C1073-I1076 CarbonylContact O-C 3.56Å; C1073-I1076 PolarHBondContact O-N 3.37Å; C1073-I1076 VanDerWaalsContact O-N 3.15Å; C1073-E1077 WeakPolarHBondContact O-CG 3.49Å; C1073-E1077 PolarHBondContact O-N 3.09Å |
| 1074 | K | 84.4 | Confident | 81.8 | Confident | 133 Ų | 133 | 110 Ų | 110 | 58% | 0.578 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -64.3 | -30 | 174.3 | -72.7 | 168.3 | -176 | 173.1 | 0 | 113.1 | K1070 E1071 A1072 K1078 | K1070-K1074 VanDerWaalsContact O-CG 3.31Å; K1070-K1074 WeakPolarHBondContact O-CG 3.37Å; K1070-K1074 PolarHBondContact O-N 2.91Å; E1071-K1074 PolarHBondContact O-N 3.26Å; A1072-K1074 PolarHBondContact O-N 2.94Å; K1074-K1078 PolarHBondContact O-N 3.44Å |
| 1075 | M | 82.7 | Confident | 81.5 | Confident | 107 Ų | 107 | 108.3 Ų | 108.3 | 53% | 0.527 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72.6 | -39.3 | 173 | -166.1 | 66.8 | -169.2 | 0 | 0 | 111.1 | E1071 A1072 C1073 K1078 L1079 | E1071-M1075 PolarHBondContact O-N 2.83Å; A1072-M1075 WeakPolarHBondContact O-CB 3.13Å; A1072-M1075 PolarHBondContact O-N 2.9Å; A1072-M1075 VanDerWaalsContact O-N 3.11Å; C1073-M1075 VanDerWaalsContact C-N 3.26Å; C1073-M1075 PolarHBondContact O-N 3.47Å; M1075-K1078 WeakPolarHBondContact O-CB 3.26Å; M1075-K1078 PolarHBondContact O-N 3.4Å; M1075-L1079 HydrophobicContact CE-CD1 4.34Å; M1075-L1079 HydrophobicContact CE-CD2 4.43Å; M1075-L1079 HydrophobicContact CE-CG 4.34Å; M1075-L1079 HydrophobicContact CG-CD1 4.19Å; M1075-L1079 WeakPolarHBondContact O-CB 3.46Å; M1075-L1079 VanDerWaalsContact O-CG 3.29Å; M1075-L1079 WeakPolarHBondContact O-CG 3.47Å; M1075-L1079 PolarHBondContact O-N 3.09Å |
| 1076 | I | 79.5 | Confident | 81.3 | Confident | 89 Ų | 89 | 108.4 Ų | 108.4 | 46% | 0.456 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.2 | -48.2 | 173.4 | -67 | 164.2 | 0 | 0 | 0 | 110.5 | A1072 C1073 K1078 L1079 E1080 | A1072-I1076 WeakPolarHBondContact O-CG1 3.47Å; A1072-I1076 PolarHBondContact O-N 2.78Å; C1073-I1076 CarbonylContact O-C 3.56Å; C1073-I1076 PolarHBondContact O-N 3.37Å; C1073-I1076 VanDerWaalsContact O-N 3.15Å; I1076-K1078 PolarHBondContact O-N 3.46Å; I1076-L1079 CarbonylContact O-C 3.54Å; I1076-L1079 PolarHBondContact O-N 2.91Å; I1076-E1080 HydrophobicContact CG2-CG 4.18Å; I1076-E1080 WeakPolarHBondContact O-CB 3.33Å; I1076-E1080 WeakPolarHBondContact O-CG 3.48Å; I1076-E1080 PolarHBondContact O-N 2.89Å |
| 1077 | E | 82.1 | Confident | 80.7 | Confident | 134 Ų | 134 | 108.6 Ų | 108.6 | 63% | 0.626 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -55.6 | -36.6 | 174.5 | -73.7 | 179.8 | 147.9 | 0 | 0 | 112.6 | C1073 K1081 | C1073-E1077 WeakPolarHBondContact O-CG 3.49Å; C1073-E1077 PolarHBondContact O-N 3.09Å; E1077-K1081 WeakPolarHBondContact O-CB 3.49Å; E1077-K1081 PolarHBondContact O-N 3Å |
| 1078 | K | 85.3 | Confident | 80.3 | Confident | 128 Ų | 128 | 112.6 Ų | 112.6 | 56% | 0.557 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.4 | -51 | 171.8 | -95.6 | -168.9 | 168.4 | -163.2 | 0 | 112.1 | K1074 M1075 I1076 K1081 E1082 | K1074-K1078 PolarHBondContact O-N 3.44Å; M1075-K1078 WeakPolarHBondContact O-CB 3.26Å; M1075-K1078 PolarHBondContact O-N 3.4Å; I1076-K1078 PolarHBondContact O-N 3.46Å; K1078-K1081 WeakPolarHBondContact O-CB 3.36Å; K1078-K1081 PolarHBondContact O-N 2.89Å; K1078-K1081 VanDerWaalsContact O-N 3.11Å; K1078-E1082 WeakPolarHBondContact O-CG 3.48Å; K1078-E1082 PolarHBondContact O-N 3.3Å |
| 1079 | L | 79.1 | Confident | 79.8 | Confident | 89 Ų | 89 | 112.4 Ų | 112.4 | 47% | 0.466 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.8 | -37.8 | -177.3 | -70.9 | 169 | 0 | 0 | 0 | 111.9 | M1075 I1076 K1081 E1082 Y1083 | M1075-L1079 HydrophobicContact CE-CD1 4.34Å; M1075-L1079 HydrophobicContact CE-CD2 4.43Å; M1075-L1079 HydrophobicContact CE-CG 4.34Å; M1075-L1079 HydrophobicContact CG-CD1 4.19Å; M1075-L1079 WeakPolarHBondContact O-CB 3.46Å; M1075-L1079 VanDerWaalsContact O-CG 3.29Å; M1075-L1079 WeakPolarHBondContact O-CG 3.47Å; M1075-L1079 PolarHBondContact O-N 3.09Å; I1076-L1079 CarbonylContact O-C 3.54Å; I1076-L1079 PolarHBondContact O-N 2.91Å; L1079-K1081 VanDerWaalsContact C-N 3.28Å; L1079-K1081 PolarHBondContact O-N 3.49Å; L1079-E1082 PolarHBondContact O-N 3.15Å; L1079-Y1083 WeakPolarHBondContact O-CB 3.27Å; L1079-Y1083 PolarHBondContact O-N 3.39Å |
| 1080 | E | 79.9 | Confident | 79.1 | Confident | 103 Ų | 103 | 109.5 Ų | 109.5 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.8 | -35.8 | 171 | -75.8 | -173 | -162.4 | 0 | 0 | 112.4 | I1076 K1084 | I1076-E1080 HydrophobicContact CG2-CG 4.18Å; I1076-E1080 WeakPolarHBondContact O-CB 3.33Å; I1076-E1080 WeakPolarHBondContact O-CG 3.48Å; I1076-E1080 PolarHBondContact O-N 2.89Å; E1080-K1084 WeakPolarHBondContact O-CB 3.41Å; E1080-K1084 WeakPolarHBondContact O-CG 3.3Å; E1080-K1084 PolarHBondContact O-N 3.34Å; E1080-K1084 IonicContact OE2-NZ 3.95Å |
| 1081 | K | 81.9 | Confident | 78.4 | Confident | 143 Ų | 143 | 109.5 Ų | 109.5 | 62% | 0.622 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -75.8 | -42.3 | 178.3 | -165.7 | 173.7 | -173.9 | 177.9 | 0 | 111.8 | E1077 K1078 L1079 Y1083 K1084 D1085 | E1077-K1081 WeakPolarHBondContact O-CB 3.49Å; E1077-K1081 PolarHBondContact O-N 3Å; K1078-K1081 WeakPolarHBondContact O-CB 3.36Å; K1078-K1081 PolarHBondContact O-N 2.89Å; K1078-K1081 VanDerWaalsContact O-N 3.11Å; L1079-K1081 VanDerWaalsContact C-N 3.28Å; L1079-K1081 PolarHBondContact O-N 3.49Å; K1081-Y1083 VanDerWaalsContact C-N 3.29Å; K1081-Y1083 PolarHBondContact O-N 3.37Å; K1081-K1084 PolarHBondContact O-N 3.13Å; K1081-D1085 WeakPolarHBondContact O-CB 3.32Å; K1081-D1085 PolarHBondContact O-N 3.21Å |
| 1082 | E | 82 | Confident | 77.7 | Confident | 105 Ų | 105 | 108.2 Ų | 108.2 | 49% | 0.491 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.4 | -34.9 | 172.3 | -71.8 | 173.6 | -163 | 0 | 0 | 111.4 | K1078 L1079 Q1086 | K1078-E1082 WeakPolarHBondContact O-CG 3.48Å; K1078-E1082 PolarHBondContact O-N 3.3Å; L1079-E1082 PolarHBondContact O-N 3.15Å; E1082-Q1086 WeakPolarHBondContact O-CG 3.5Å; E1082-Q1086 PolarHBondContact O-N 2.84Å |
| 1083 | Y | 75.4 | Confident | 77.1 | Confident | 160 Ų | 160 | 108.7 Ų | 108.7 | 63% | 0.627 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.7 | -49.3 | 172.1 | -171.7 | -87 | 0 | 0 | 0 | 111.3 | L1079 K1081 D1085 Q1086 E1087 | L1079-Y1083 WeakPolarHBondContact O-CB 3.27Å; L1079-Y1083 PolarHBondContact O-N 3.39Å; K1081-Y1083 VanDerWaalsContact C-N 3.29Å; K1081-Y1083 PolarHBondContact O-N 3.37Å; Y1083-D1085 VanDerWaalsContact C-N 3.31Å; Y1083-D1085 PolarHBondContact O-N 3.41Å; Y1083-Q1086 CarbonylContact O-C 3.56Å; Y1083-Q1086 WeakPolarHBondContact O-CA 3.37Å; Y1083-Q1086 WeakPolarHBondContact O-CB 3.23Å; Y1083-Q1086 PolarHBondContact O-N 2.79Å; Y1083-E1087 WeakPolarHBondContact O-CB 3.5Å; Y1083-E1087 PolarHBondContact O-N 3.14Å |
| 1084 | K | 77.9 | Confident | 75.9 | Confident | 117 Ų | 117 | 110 Ų | 110 | 51% | 0.509 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.9 | -36.2 | 175.5 | -77.2 | 165.1 | -178.5 | 154.3 | 0 | 112.7 | E1080 K1081 Q1086 E1087 F1088 | E1080-K1084 WeakPolarHBondContact O-CB 3.41Å; E1080-K1084 WeakPolarHBondContact O-CG 3.3Å; E1080-K1084 PolarHBondContact O-N 3.34Å; E1080-K1084 IonicContact OE2-NZ 3.95Å; K1081-K1084 PolarHBondContact O-N 3.13Å; K1084-Q1086 VanDerWaalsContact C-N 3.26Å; K1084-Q1086 PolarHBondContact O-N 2.88Å; K1084-E1087 PolarHBondContact O-N 3.07Å; K1084-F1088 WeakPolarHBondContact O-CB 3.35Å; K1084-F1088 PolarHBondContact O-N 2.81Å |
| 1085 | D | 76.8 | Confident | 74.9 | Confident | 86 Ų | 86 | 107.1 Ų | 107.1 | 46% | 0.46 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.5 | -15.7 | 173.2 | -78.9 | -3.2 | 0 | 0 | 0 | 113.3 | K1081 Y1083 K1089 | K1081-D1085 WeakPolarHBondContact O-CB 3.32Å; K1081-D1085 PolarHBondContact O-N 3.21Å; Y1083-D1085 VanDerWaalsContact C-N 3.31Å; Y1083-D1085 PolarHBondContact O-N 3.41Å; D1085-K1089 VanDerWaalsContact O-CD 3.24Å; D1085-K1089 WeakPolarHBondContact O-CD 3.44Å; D1085-K1089 VanDerWaalsContact O-CE 3.3Å; D1085-K1089 WeakPolarHBondContact O-CE 3.08Å; D1085-K1089 WeakPolarHBondContact O-CG 3.42Å; D1085-K1089 PolarHBondContact O-NZ 3.27Å |
| 1086 | Q | 74.4 | Confident | 74 | Confident | 126 Ų | 126 | 107.2 Ų | 107.2 | 59% | 0.589 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -91.5 | -41.2 | 168.1 | -75 | -170.7 | 26.3 | 0 | 0 | 111.9 | E1082 Y1083 K1084 F1088 K1089 L1090 | E1082-Q1086 WeakPolarHBondContact O-CG 3.5Å; E1082-Q1086 PolarHBondContact O-N 2.84Å; Y1083-Q1086 CarbonylContact O-C 3.56Å; Y1083-Q1086 WeakPolarHBondContact O-CA 3.37Å; Y1083-Q1086 WeakPolarHBondContact O-CB 3.23Å; Y1083-Q1086 PolarHBondContact O-N 2.79Å; K1084-Q1086 VanDerWaalsContact C-N 3.26Å; K1084-Q1086 PolarHBondContact O-N 2.88Å; Q1086-F1088 VanDerWaalsContact C-N 3.32Å; Q1086-F1088 PolarHBondContact O-N 2.91Å; Q1086-K1089 CarbonylContact O-C 3.54Å; Q1086-K1089 PolarHBondContact O-N 2.82Å; Q1086-K1089 VanDerWaalsContact O-N 3.09Å; Q1086-L1090 WeakPolarHBondContact O-CG 3.39Å; Q1086-L1090 PolarHBondContact O-N 2.94Å |
| 1087 | E | 72 | Confident | 73 | Confident | 97 Ų | 97 | 105.6 Ų | 105.6 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -56.4 | -46.1 | 174.6 | -173.5 | 178.2 | -156.5 | 0 | 0 | 110.6 | Y1083 K1084 K1089 L1090 V1091 | Y1083-E1087 WeakPolarHBondContact O-CB 3.5Å; Y1083-E1087 PolarHBondContact O-N 3.14Å; K1084-E1087 PolarHBondContact O-N 3.07Å; E1087-K1089 VanDerWaalsContact C-N 3.33Å; E1087-K1089 PolarHBondContact O-N 3.35Å; E1087-L1090 PolarHBondContact O-N 3.36Å; E1087-V1091 WeakPolarHBondContact O-CG2 3.45Å; E1087-V1091 PolarHBondContact O-N 3.03Å |
| 1088 | F | 76.2 | Confident | 71.8 | Confident | 140 Ų | 140 | 102.1 Ų | 102.1 | 61% | 0.614 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.5 | -41.3 | 174.5 | -168.2 | -88.3 | 0 | 0 | 0 | 112.5 | K1084 Q1086 V1091 E1092 | K1084-F1088 WeakPolarHBondContact O-CB 3.35Å; K1084-F1088 PolarHBondContact O-N 2.81Å; Q1086-F1088 VanDerWaalsContact C-N 3.32Å; Q1086-F1088 PolarHBondContact O-N 2.91Å; F1088-V1091 PolarHBondContact O-N 2.84Å; F1088-E1092 WeakPolarHBondContact O-CB 3.47Å; F1088-E1092 PolarHBondContact O-N 2.91Å |
| 1089 | K | 74.8 | Confident | 71 | Confident | 124 Ų | 124 | 100.4 Ų | 100.4 | 54% | 0.539 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -71.2 | -32.5 | 177.4 | -68.9 | 172.8 | -169.2 | 123.6 | 0 | 112.6 | D1085 Q1086 E1087 A1093 | D1085-K1089 VanDerWaalsContact O-CD 3.24Å; D1085-K1089 WeakPolarHBondContact O-CD 3.44Å; D1085-K1089 VanDerWaalsContact O-CE 3.3Å; D1085-K1089 WeakPolarHBondContact O-CE 3.08Å; D1085-K1089 WeakPolarHBondContact O-CG 3.42Å; D1085-K1089 PolarHBondContact O-NZ 3.27Å; Q1086-K1089 CarbonylContact O-C 3.54Å; Q1086-K1089 PolarHBondContact O-N 2.82Å; Q1086-K1089 VanDerWaalsContact O-N 3.09Å; E1087-K1089 VanDerWaalsContact C-N 3.33Å; E1087-K1089 PolarHBondContact O-N 3.35Å; K1089-A1093 VanDerWaalsContact O-CB 3.3Å; K1089-A1093 WeakPolarHBondContact O-CB 3.43Å; K1089-A1093 PolarHBondContact O-N 2.95Å |
| 1090 | L | 65.8 | Low | 70.6 | Confident | 121 Ų | 121 | 102.3 Ų | 102.3 | 63% | 0.634 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.7 | -38.7 | 172.6 | -76.1 | 166.9 | 0 | 0 | 0 | 111.1 | Q1086 E1087 A1093 S1094 | Q1086-L1090 WeakPolarHBondContact O-CG 3.39Å; Q1086-L1090 PolarHBondContact O-N 2.94Å; E1087-L1090 PolarHBondContact O-N 3.36Å; L1090-A1093 PolarHBondContact O-N 3.45Å; L1090-S1094 WeakPolarHBondContact O-CB 3.36Å; L1090-S1094 PolarHBondContact O-N 3.4Å |
| 1091 | V | 71.2 | Confident | 70.1 | Confident | 82 Ų | 82 | 101.8 Ų | 101.8 | 50% | 0.497 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -62.8 | -47.4 | 171.5 | 170.4 | 0 | 0 | 0 | 0 | 110.6 | E1087 F1088 A1093 S1094 T1095 | E1087-V1091 WeakPolarHBondContact O-CG2 3.45Å; E1087-V1091 PolarHBondContact O-N 3.03Å; F1088-V1091 PolarHBondContact O-N 2.84Å; V1091-A1093 PolarHBondContact O-N 2.86Å; V1091-S1094 WeakPolarHBondContact CA-OG 3.29Å; V1091-S1094 WeakPolarHBondContact O-CA 3.34Å; V1091-S1094 WeakPolarHBondContact O-CB 3.45Å; V1091-S1094 PolarHBondContact O-N 3.16Å; V1091-S1094 PolarHBondContact O-OG 3Å; V1091-T1095 PolarHBondContact O-N 3Å; V1091-T1095 PolarHBondContact O-OG1 2.92Å |
| 1092 | E | 69.6 | Low | 69.6 | Low | 105 Ų | 105 | 100.7 Ų | 100.7 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -63.9 | -36.9 | 178.3 | -167.3 | 169.8 | -133.2 | 0 | 0 | 112.5 | F1088 T1095 N1096 | F1088-E1092 WeakPolarHBondContact O-CB 3.47Å; F1088-E1092 PolarHBondContact O-N 2.91Å; E1092-T1095 WeakPolarHBondContact CA-OG1 3.43Å; E1092-T1095 PolarHBondContact O-OG1 3.29Å; E1092-N1096 PolarHBondContact O-N 2.9Å; E1092-N1096 PolarHBondContact O-ND2 2.99Å |
| 1093 | A | 65.9 | Low | 69.3 | Low | 56 Ų | 56 | 100.2 Ų | 100.2 | 46% | 0.463 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.9 | -39.2 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1089 L1090 V1091 T1095 N1096 S1097 | K1089-A1093 VanDerWaalsContact O-CB 3.3Å; K1089-A1093 WeakPolarHBondContact O-CB 3.43Å; K1089-A1093 PolarHBondContact O-N 2.95Å; L1090-A1093 PolarHBondContact O-N 3.45Å; V1091-A1093 PolarHBondContact O-N 2.86Å; A1093-T1095 PolarHBondContact O-N 3.18Å; A1093-N1096 PolarHBondContact O-N 3.01Å; A1093-S1097 WeakPolarHBondContact O-CB 3.34Å; A1093-S1097 PolarHBondContact O-N 2.68Å |
| 1094 | S | 57.4 | Low | 69.2 | Low | 65 Ų | 65 | 97.2 Ų | 97.2 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.5 | -35.4 | 178.5 | 82.5 | 0 | 0 | 0 | 0 | 112.7 | L1090 V1091 S1097 S1098 | L1090-S1094 WeakPolarHBondContact O-CB 3.36Å; L1090-S1094 PolarHBondContact O-N 3.4Å; V1091-S1094 WeakPolarHBondContact CA-OG 3.29Å; V1091-S1094 WeakPolarHBondContact O-CA 3.34Å; V1091-S1094 WeakPolarHBondContact O-CB 3.45Å; V1091-S1094 PolarHBondContact O-N 3.16Å; V1091-S1094 PolarHBondContact O-OG 3Å; S1094-S1097 PolarHBondContact O-N 2.86Å; S1094-S1098 WeakPolarHBondContact O-CB 3.42Å; S1094-S1098 PolarHBondContact O-N 3.22Å |
| 1095 | T | 62.8 | Low | 69 | Low | 73 Ų | 73 | 98 Ų | 98 | 45% | 0.448 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68 | -41.7 | 175.6 | 42.7 | 0 | 0 | 0 | 0 | 111.6 | V1091 E1092 A1093 S1098 D1099 | V1091-T1095 PolarHBondContact O-N 3Å; V1091-T1095 PolarHBondContact O-OG1 2.92Å; E1092-T1095 WeakPolarHBondContact CA-OG1 3.43Å; E1092-T1095 PolarHBondContact O-OG1 3.29Å; A1093-T1095 PolarHBondContact O-N 3.18Å; T1095-S1098 WeakPolarHBondContact O-CB 3.37Å; T1095-S1098 PolarHBondContact O-N 3.36Å; T1095-S1098 VanDerWaalsContact O-N 3.16Å; T1095-D1099 PolarHBondContact O-N 3.21Å |
| 1096 | N | 64.9 | Low | 69 | Low | 109 Ų | 109 | 100.3 Ų | 100.3 | 58% | 0.583 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -64.9 | -41.6 | 174.7 | -69.7 | -46.5 | 0 | 0 | 0 | 111.4 | E1092 A1093 S1098 D1099 E1100 | E1092-N1096 PolarHBondContact O-N 2.9Å; E1092-N1096 PolarHBondContact O-ND2 2.99Å; A1093-N1096 PolarHBondContact O-N 3.01Å; N1096-S1098 VanDerWaalsContact C-N 3.29Å; N1096-S1098 PolarHBondContact O-N 2.84Å; N1096-D1099 PolarHBondContact O-N 2.85Å; N1096-E1100 PolarHBondContact O-N 3.36Å; N1096-E1100 VanDerWaalsContact O-N 3.09Å |
| 1097 | S | 57 | Low | 69 | Low | 55 Ų | 55 | 100.4 Ų | 100.4 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.4 | -29.6 | 173.2 | -170 | 0 | 0 | 0 | 0 | 112.9 | A1093 S1094 N1101 | A1093-S1097 WeakPolarHBondContact O-CB 3.34Å; A1093-S1097 PolarHBondContact O-N 2.68Å; S1094-S1097 PolarHBondContact O-N 2.86Å; S1097-N1101 VanDerWaalsContact O-CB 3.27Å; S1097-N1101 WeakPolarHBondContact O-CB 3.41Å; S1097-N1101 PolarHBondContact O-N 2.83Å; S1097-N1101 PolarHBondContact O-ND2 2.76Å; S1097-N1101 PolarHBondContact OG-ND2 2.88Å |
| 1098 | S | 57.3 | Low | 69.1 | Low | 60 Ų | 60 | 100.6 Ų | 100.6 | 42% | 0.42 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.5 | -44.6 | 176.4 | -168.8 | 0 | 0 | 0 | 0 | 111.9 | S1094 T1095 N1096 N1101 K1102 | S1094-S1098 WeakPolarHBondContact O-CB 3.42Å; S1094-S1098 PolarHBondContact O-N 3.22Å; T1095-S1098 WeakPolarHBondContact O-CB 3.37Å; T1095-S1098 PolarHBondContact O-N 3.36Å; T1095-S1098 VanDerWaalsContact O-N 3.16Å; N1096-S1098 VanDerWaalsContact C-N 3.29Å; N1096-S1098 PolarHBondContact O-N 2.84Å; S1098-N1101 PolarHBondContact O-N 3.3Å; S1098-K1102 WeakPolarHBondContact O-CG 3.14Å; S1098-K1102 PolarHBondContact O-N 2.85Å |
| 1099 | D | 69.6 | Low | 69.2 | Low | 92 Ų | 92 | 98 Ų | 98 | 49% | 0.492 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.4 | -32.6 | 178.1 | -75.1 | -25.8 | 0 | 0 | 0 | 112.5 | T1095 N1096 K1102 L1103 | T1095-D1099 PolarHBondContact O-N 3.21Å; N1096-D1099 PolarHBondContact O-N 2.85Å; D1099-K1102 PolarHBondContact O-N 3.35Å; D1099-K1102 WeakPolarHBondContact OD1-CD 3.32Å; D1099-K1102 WeakPolarHBondContact OD1-CE 3.47Å; D1099-K1102 IonicContact OD1-NZ 2.69Å; D1099-K1102 PolarHBondContact OD1-NZ 3.02Å; D1099-L1103 PolarHBondContact O-N 3.31Å |
| 1100 | E | 70.3 | Confident | 69.5 | Low | 129 Ų | 129 | 95.4 Ų | 95.4 | 60% | 0.603 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.4 | -38.9 | 169.5 | -165.6 | 166.9 | -131.6 | 0 | 0 | 111.7 | N1096 L1103 L1104 | N1096-E1100 PolarHBondContact O-N 3.36Å; N1096-E1100 VanDerWaalsContact O-N 3.09Å; E1100-L1103 PolarHBondContact O-N 3.37Å; E1100-L1104 WeakPolarHBondContact O-CB 3.5Å; E1100-L1104 WeakPolarHBondContact O-CG 3.33Å; E1100-L1104 PolarHBondContact O-N 3.32Å |
| 1101 | N | 68 | Low | 70 | Confident | 92 Ų | 92 | 94.6 Ų | 94.6 | 49% | 0.492 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -65.7 | -36.1 | 171.2 | -87.4 | -75.7 | 0 | 0 | 0 | 112.9 | S1097 S1098 L1103 L1104 K1105 | S1097-N1101 VanDerWaalsContact O-CB 3.27Å; S1097-N1101 WeakPolarHBondContact O-CB 3.41Å; S1097-N1101 PolarHBondContact O-N 2.83Å; S1097-N1101 PolarHBondContact O-ND2 2.76Å; S1097-N1101 PolarHBondContact OG-ND2 2.88Å; S1098-N1101 PolarHBondContact O-N 3.3Å; N1101-L1103 VanDerWaalsContact C-N 3.35Å; N1101-L1104 PolarHBondContact O-N 3.29Å; N1101-K1105 VanDerWaalsContact O-CB 3.26Å; N1101-K1105 WeakPolarHBondContact O-CB 3.33Å; N1101-K1105 PolarHBondContact O-N 3.44Å |
| 1102 | K | 73.2 | Confident | 70.2 | Confident | 120 Ų | 120 | 94.5 Ų | 94.5 | 52% | 0.522 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.2 | -42.7 | 170.8 | -73.2 | 174.1 | -162.5 | 153.6 | 0 | 111.4 | S1098 D1099 K1105 Q1106 | S1098-K1102 WeakPolarHBondContact O-CG 3.14Å; S1098-K1102 PolarHBondContact O-N 2.85Å; D1099-K1102 PolarHBondContact O-N 3.35Å; D1099-K1102 WeakPolarHBondContact OD1-CD 3.32Å; D1099-K1102 WeakPolarHBondContact OD1-CE 3.47Å; D1099-K1102 IonicContact OD1-NZ 2.69Å; D1099-K1102 PolarHBondContact OD1-NZ 3.02Å; K1102-K1105 PolarHBondContact O-N 3.15Å; K1102-Q1106 PolarHBondContact O-N 2.74Å |
| 1103 | L | 75 | Confident | 70.5 | Confident | 96 Ų | 96 | 92.8 Ų | 92.8 | 50% | 0.503 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.7 | -38.7 | 179 | -169.6 | 68.9 | 0 | 0 | 0 | 111.9 | D1099 E1100 N1101 K1107 | D1099-L1103 PolarHBondContact O-N 3.31Å; E1100-L1103 PolarHBondContact O-N 3.37Å; N1101-L1103 VanDerWaalsContact C-N 3.35Å; L1103-K1107 WeakPolarHBondContact O-CG 3.27Å; L1103-K1107 PolarHBondContact O-N 2.83Å; L1103-K1107 VanDerWaalsContact O-N 3.07Å |
| 1104 | L | 72.7 | Confident | 71.1 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 51% | 0.508 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.7 | -38.8 | 171.2 | -74.2 | 168.3 | 0 | 0 | 0 | 111.9 | E1100 N1101 K1107 L1108 | E1100-L1104 WeakPolarHBondContact O-CB 3.5Å; E1100-L1104 WeakPolarHBondContact O-CG 3.33Å; E1100-L1104 PolarHBondContact O-N 3.32Å; N1101-L1104 PolarHBondContact O-N 3.29Å; L1104-K1107 CarbonylContact O-C 3.6Å; L1104-K1107 WeakPolarHBondContact O-CB 3.25Å; L1104-K1107 PolarHBondContact O-N 3.42Å; L1104-L1108 WeakPolarHBondContact O-CB 3.35Å; L1104-L1108 PolarHBondContact O-N 3.15Å |
| 1105 | K | 73.8 | Confident | 71.8 | Confident | 133 Ų | 133 | 96.6 Ų | 96.6 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.4 | -41.7 | 177.6 | -163.5 | 148.1 | -172.8 | 166 | 0 | 112.2 | N1101 K1102 K1107 L1108 D1109 | N1101-K1105 VanDerWaalsContact O-CB 3.26Å; N1101-K1105 WeakPolarHBondContact O-CB 3.33Å; N1101-K1105 PolarHBondContact O-N 3.44Å; K1102-K1105 PolarHBondContact O-N 3.15Å; K1105-K1107 VanDerWaalsContact C-N 3.28Å; K1105-K1107 PolarHBondContact O-N 3.09Å; K1105-L1108 CarbonylContact O-C 3.58Å; K1105-L1108 WeakPolarHBondContact O-CA 3.34Å; K1105-L1108 WeakPolarHBondContact O-CB 3.13Å; K1105-L1108 PolarHBondContact O-N 3.35Å; K1105-D1109 PolarHBondContact O-N 2.8Å |
| 1106 | Q | 76.4 | Confident | 72.5 | Confident | 135 Ų | 135 | 100.6 Ų | 100.6 | 63% | 0.631 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -60.3 | -35.5 | 169.7 | -75.8 | -173.8 | -16.4 | 0 | 0 | 112.9 | K1102 S1110 | K1102-Q1106 PolarHBondContact O-N 2.74Å; Q1106-S1110 WeakPolarHBondContact O-CB 3.39Å; Q1106-S1110 PolarHBondContact O-N 3.49Å |
| 1107 | K | 75.7 | Confident | 73.1 | Confident | 128 Ų | 128 | 100.5 Ų | 100.5 | 56% | 0.557 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.5 | -39.8 | 171.2 | -79.3 | 175.8 | 176 | 174.8 | 0 | 112.1 | L1103 L1104 K1105 S1110 M1111 | L1103-K1107 WeakPolarHBondContact O-CG 3.27Å; L1103-K1107 PolarHBondContact O-N 2.83Å; L1103-K1107 VanDerWaalsContact O-N 3.07Å; L1104-K1107 CarbonylContact O-C 3.6Å; L1104-K1107 WeakPolarHBondContact O-CB 3.25Å; L1104-K1107 PolarHBondContact O-N 3.42Å; K1105-K1107 VanDerWaalsContact C-N 3.28Å; K1105-K1107 PolarHBondContact O-N 3.09Å; K1107-S1110 PolarHBondContact O-N 2.84Å; K1107-M1111 WeakPolarHBondContact O-CB 3.18Å; K1107-M1111 VanDerWaalsContact O-CG 3.28Å; K1107-M1111 WeakPolarHBondContact O-CG 3.4Å; K1107-M1111 PolarHBondContact O-N 2.63Å |
| 1108 | L | 74.5 | Confident | 74 | Confident | 101 Ų | 101 | 102.9 Ų | 102.9 | 53% | 0.529 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 176.7 | -168.2 | 70.3 | 0 | 0 | 0 | 110.8 | L1104 K1105 S1110 M1111 E1112 | L1104-L1108 WeakPolarHBondContact O-CB 3.35Å; L1104-L1108 PolarHBondContact O-N 3.15Å; K1105-L1108 CarbonylContact O-C 3.58Å; K1105-L1108 WeakPolarHBondContact O-CA 3.34Å; K1105-L1108 WeakPolarHBondContact O-CB 3.13Å; K1105-L1108 PolarHBondContact O-N 3.35Å; L1108-S1110 VanDerWaalsContact C-N 3.28Å; L1108-S1110 PolarHBondContact O-N 3.36Å; L1108-M1111 CarbonylContact O-C 3.59Å; L1108-M1111 PolarHBondContact O-N 3.44Å; L1108-M1111 VanDerWaalsContact O-N 3.09Å; L1108-E1112 PolarHBondContact O-N 2.82Å |
| 1109 | D | 77.8 | Confident | 74.9 | Confident | 84 Ų | 84 | 107.5 Ų | 107.5 | 45% | 0.449 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.8 | -39.4 | 176.5 | -59.8 | -26.6 | 0 | 0 | 0 | 111.4 | K1105 S1113 | K1105-D1109 PolarHBondContact O-N 2.8Å; D1109-S1113 WeakPolarHBondContact O-CB 3.1Å; D1109-S1113 PolarHBondContact O-N 2.88Å |
| 1110 | S | 80.4 | Confident | 75.2 | Confident | 71 Ų | 71 | 108.4 Ų | 108.4 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -67.6 | -38.8 | 174.7 | -177.1 | 0 | 0 | 0 | 0 | 113 | Q1106 K1107 L1108 S1113 K1114 | Q1106-S1110 WeakPolarHBondContact O-CB 3.39Å; Q1106-S1110 PolarHBondContact O-N 3.49Å; K1107-S1110 PolarHBondContact O-N 2.84Å; L1108-S1110 VanDerWaalsContact C-N 3.28Å; L1108-S1110 PolarHBondContact O-N 3.36Å; S1110-S1113 PolarHBondContact O-N 3.43Å; S1110-K1114 PolarHBondContact O-N 2.84Å |
| 1111 | M | 75.9 | Confident | 75.5 | Confident | 104 Ų | 104 | 107.1 Ų | 107.1 | 51% | 0.512 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -72 | -37.2 | 175 | -74.1 | -65.2 | -66.9 | 0 | 0 | 112.1 | K1107 L1108 K1114 N1115 | K1107-M1111 WeakPolarHBondContact O-CB 3.18Å; K1107-M1111 VanDerWaalsContact O-CG 3.28Å; K1107-M1111 WeakPolarHBondContact O-CG 3.4Å; K1107-M1111 PolarHBondContact O-N 2.63Å; L1108-M1111 CarbonylContact O-C 3.59Å; L1108-M1111 PolarHBondContact O-N 3.44Å; L1108-M1111 VanDerWaalsContact O-N 3.09Å; M1111-K1114 PolarHBondContact O-N 3.32Å; M1111-N1115 WeakPolarHBondContact O-CB 3.26Å; M1111-N1115 VanDerWaalsContact O-CG 3.26Å; M1111-N1115 PolarHBondContact O-N 3.41Å |
| 1112 | E | 75.6 | Confident | 75.8 | Confident | 80 Ų | 80 | 107 Ų | 107 | 37% | 0.374 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.2 | -43.3 | 169.8 | -82.3 | -161 | -151.5 | 0 | 0 | 111.7 | L1108 K1114 N1115 R1116 | L1108-E1112 PolarHBondContact O-N 2.82Å; E1112-K1114 VanDerWaalsContact C-N 3.29Å; E1112-K1114 PolarHBondContact O-N 2.65Å; E1112-N1115 PolarHBondContact O-N 3.08Å; E1112-R1116 WeakPolarHBondContact O-CB 3.38Å; E1112-R1116 VanDerWaalsContact O-CG 3.28Å; E1112-R1116 WeakPolarHBondContact O-CG 3.3Å; E1112-R1116 PolarHBondContact O-N 2.98Å; E1112-R1116 IonicContact OE2-CZ 3.93Å; E1112-R1116 IonicContact OE2-NE 3.69Å; E1112-R1116 IonicContact OE2-NH2 3.82Å; E1112-R1116 PolarHBondContact OE2-NH2 3.36Å |
| 1113 | S | 76.4 | Confident | 76 | Confident | 68 Ų | 68 | 105.3 Ų | 105.3 | 48% | 0.476 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 175.3 | -169.4 | 0 | 0 | 0 | 0 | 111.6 | D1109 S1110 M1117 | D1109-S1113 WeakPolarHBondContact O-CB 3.1Å; D1109-S1113 PolarHBondContact O-N 2.88Å; S1110-S1113 PolarHBondContact O-N 3.43Å; S1113-M1117 WeakPolarHBondContact O-CG 3.38Å; S1113-M1117 PolarHBondContact O-N 2.84Å |
| 1114 | K | 78.7 | Confident | 76.2 | Confident | 126 Ų | 126 | 105 Ų | 105 | 55% | 0.548 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.6 | -43 | 171.3 | -86.7 | -172.5 | 171.8 | -175.3 | 0 | 112.8 | S1110 M1111 E1112 R1116 M1117 M1118 | S1110-K1114 PolarHBondContact O-N 2.84Å; M1111-K1114 PolarHBondContact O-N 3.32Å; E1112-K1114 VanDerWaalsContact C-N 3.29Å; E1112-K1114 PolarHBondContact O-N 2.65Å; K1114-R1116 VanDerWaalsContact C-N 3.33Å; K1114-R1116 PolarHBondContact O-N 3.23Å; K1114-M1117 WeakPolarHBondContact O-CB 3.41Å; K1114-M1117 PolarHBondContact O-N 3.12Å; K1114-M1118 WeakPolarHBondContact O-CG 3.35Å; K1114-M1118 PolarHBondContact O-N 3.49Å |
| 1115 | N | 71.2 | Confident | 76.4 | Confident | 75 Ų | 75 | 104.7 Ų | 104.7 | 40% | 0.401 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -65.2 | -37.7 | 177.8 | -73.7 | -12.8 | 0 | 0 | 0 | 111.5 | M1111 E1112 M1118 Y1119 | M1111-N1115 WeakPolarHBondContact O-CB 3.26Å; M1111-N1115 VanDerWaalsContact O-CG 3.26Å; M1111-N1115 PolarHBondContact O-N 3.41Å; E1112-N1115 PolarHBondContact O-N 3.08Å; N1115-M1118 PolarHBondContact O-N 3.31Å; N1115-M1118 VanDerWaalsContact OD1-CE 3.28Å; N1115-M1118 WeakPolarHBondContact OD1-CE 3.44Å; N1115-Y1119 WeakPolarHBondContact O-CB 3.43Å; N1115-Y1119 WeakPolarHBondContact O-CD2 3.47Å; N1115-Y1119 PolarHBondContact O-N 3.35Å |
| 1116 | R | 77.5 | Confident | 76.5 | Confident | 158 Ų | 158 | 102.8 Ų | 102.8 | 60% | 0.596 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -66 | -39.1 | 172.4 | -67.7 | 174.5 | -156.5 | -151.4 | 8 | 111.8 | E1112 K1114 Y1119 N1120 | E1112-R1116 WeakPolarHBondContact O-CB 3.38Å; E1112-R1116 VanDerWaalsContact O-CG 3.28Å; E1112-R1116 WeakPolarHBondContact O-CG 3.3Å; E1112-R1116 PolarHBondContact O-N 2.98Å; E1112-R1116 IonicContact OE2-CZ 3.93Å; E1112-R1116 IonicContact OE2-NE 3.69Å; E1112-R1116 IonicContact OE2-NH2 3.82Å; E1112-R1116 PolarHBondContact OE2-NH2 3.36Å; K1114-R1116 VanDerWaalsContact C-N 3.33Å; K1114-R1116 PolarHBondContact O-N 3.23Å; R1116-Y1119 PolarHBondContact O-N 3.16Å; R1116-N1120 WeakPolarHBondContact O-CB 3.48Å; R1116-N1120 PolarHBondContact O-N 2.93Å; R1116-N1120 PolarHBondContact O-ND2 2.86Å |
| 1117 | M | 77.8 | Confident | 76.6 | Confident | 106 Ų | 106 | 100.7 Ų | 100.7 | 52% | 0.522 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.3 | -50.9 | 170.6 | -79.3 | -176.2 | 62.8 | 0 | 0 | 111.8 | S1113 K1114 Y1119 N1120 E1121 | S1113-M1117 WeakPolarHBondContact O-CG 3.38Å; S1113-M1117 PolarHBondContact O-N 2.84Å; K1114-M1117 WeakPolarHBondContact O-CB 3.41Å; K1114-M1117 PolarHBondContact O-N 3.12Å; M1117-Y1119 VanDerWaalsContact C-N 3.29Å; M1117-Y1119 PolarHBondContact O-N 2.95Å; M1117-N1120 PolarHBondContact O-N 2.92Å; M1117-N1120 VanDerWaalsContact O-N 3.1Å; M1117-E1121 WeakPolarHBondContact O-CG 3.49Å; M1117-E1121 PolarHBondContact O-N 3.29Å |
| 1118 | M | 76.2 | Confident | 76.6 | Confident | 106 Ų | 106 | 97.6 Ų | 97.6 | 52% | 0.522 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.8 | -32.3 | 178.8 | -68.8 | -169.6 | -56 | 0 | 0 | 112.7 | K1114 N1115 L1122 | K1114-M1118 WeakPolarHBondContact O-CG 3.35Å; K1114-M1118 PolarHBondContact O-N 3.49Å; N1115-M1118 PolarHBondContact O-N 3.31Å; N1115-M1118 VanDerWaalsContact OD1-CE 3.28Å; N1115-M1118 WeakPolarHBondContact OD1-CE 3.44Å; M1118-L1122 WeakPolarHBondContact O-CB 3.28Å; M1118-L1122 PolarHBondContact O-N 2.82Å |
| 1119 | Y | 75.9 | Confident | 76.8 | Confident | 157 Ų | 157 | 101.6 Ų | 101.6 | 62% | 0.616 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.4 | -43.7 | 171.1 | -104.7 | -82.9 | 0 | 0 | 0 | 112 | N1115 R1116 M1117 L1122 E1123 | N1115-Y1119 WeakPolarHBondContact O-CB 3.43Å; N1115-Y1119 WeakPolarHBondContact O-CD2 3.47Å; N1115-Y1119 PolarHBondContact O-N 3.35Å; R1116-Y1119 PolarHBondContact O-N 3.16Å; M1117-Y1119 VanDerWaalsContact C-N 3.29Å; M1117-Y1119 PolarHBondContact O-N 2.95Å; Y1119-L1122 PolarHBondContact O-N 3.43Å; Y1119-E1123 PolarHBondContact O-N 3.24Å |
| 1120 | N | 75.3 | Confident | 76.7 | Confident | 111 Ų | 111 | 103 Ų | 103 | 59% | 0.594 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.8 | -41.5 | 175.5 | -69.5 | -16.9 | 0 | 0 | 0 | 111.5 | R1116 M1117 E1123 T1124 | R1116-N1120 WeakPolarHBondContact O-CB 3.48Å; R1116-N1120 PolarHBondContact O-N 2.93Å; R1116-N1120 PolarHBondContact O-ND2 2.86Å; M1117-N1120 PolarHBondContact O-N 2.92Å; M1117-N1120 VanDerWaalsContact O-N 3.1Å; N1120-E1123 PolarHBondContact O-N 3.1Å; N1120-T1124 WeakPolarHBondContact O-CG2 3.41Å; N1120-T1124 PolarHBondContact O-N 3.05Å; N1120-T1124 PolarHBondContact O-OG1 2.89Å |
| 1121 | E | 78 | Confident | 76.6 | Confident | 102 Ų | 102 | 104.3 Ų | 104.3 | 48% | 0.477 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -47.4 | 173.8 | -72.9 | 169.1 | -178.9 | 0 | 0 | 110.6 | M1117 E1123 T1124 V1125 | M1117-E1121 WeakPolarHBondContact O-CG 3.49Å; M1117-E1121 PolarHBondContact O-N 3.29Å; E1121-E1123 VanDerWaalsContact C-N 3.3Å; E1121-E1123 PolarHBondContact O-N 2.87Å; E1121-T1124 WeakPolarHBondContact CA-OG1 3.2Å; E1121-T1124 PolarHBondContact O-N 3.22Å; E1121-T1124 PolarHBondContact O-OG1 3.23Å; E1121-V1125 WeakPolarHBondContact O-CG2 3.49Å; E1121-V1125 PolarHBondContact O-N 3.12Å |
| 1122 | L | 74.2 | Confident | 76.7 | Confident | 90 Ų | 90 | 104.1 Ų | 104.1 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -58 | -40.2 | 174.2 | -172.5 | 71.9 | 0 | 0 | 0 | 112 | M1118 Y1119 V1125 K1126 | M1118-L1122 WeakPolarHBondContact O-CB 3.28Å; M1118-L1122 PolarHBondContact O-N 2.82Å; Y1119-L1122 PolarHBondContact O-N 3.43Å; L1122-V1125 PolarHBondContact O-N 2.81Å; L1122-K1126 WeakPolarHBondContact O-CG 3.47Å; L1122-K1126 PolarHBondContact O-N 3.45Å |
| 1123 | E | 77.9 | Confident | 76.8 | Confident | 84 Ų | 84 | 104.9 Ų | 104.9 | 39% | 0.393 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -69 | -39 | 176.7 | -143.3 | 64.6 | -147 | 0 | 0 | 112.1 | Y1119 N1120 E1121 V1125 K1126 L1127 | Y1119-E1123 PolarHBondContact O-N 3.24Å; N1120-E1123 PolarHBondContact O-N 3.1Å; E1121-E1123 VanDerWaalsContact C-N 3.3Å; E1121-E1123 PolarHBondContact O-N 2.87Å; E1123-V1125 VanDerWaalsContact C-N 3.3Å; E1123-V1125 PolarHBondContact O-N 3.49Å; E1123-K1126 VanDerWaalsContact CD-NZ 3.25Å; E1123-K1126 WeakPolarHBondContact O-CB 3.46Å; E1123-K1126 PolarHBondContact O-N 2.89Å; E1123-K1126 VanDerWaalsContact OE1-CD 3.24Å; E1123-K1126 WeakPolarHBondContact OE1-CD 3.01Å; E1123-K1126 IonicContact OE1-NZ 3.11Å; E1123-K1126 PolarHBondContact OE1-NZ 2.92Å; E1123-K1126 VanDerWaalsContact OE1-NZ 3.08Å; E1123-K1126 IonicContact OE2-NZ 2.71Å; E1123-K1126 PolarHBondContact OE2-NZ 3.01Å; E1123-L1127 WeakPolarHBondContact O-CG 3.41Å; E1123-L1127 PolarHBondContact O-N 3.15Å |
| 1124 | T | 77.7 | Confident | 76.9 | Confident | 88 Ų | 88 | 106 Ų | 106 | 54% | 0.54 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -32.7 | 171.3 | 60.4 | 0 | 0 | 0 | 0 | 112.5 | N1120 E1121 S1128 | N1120-T1124 WeakPolarHBondContact O-CG2 3.41Å; N1120-T1124 PolarHBondContact O-N 3.05Å; N1120-T1124 PolarHBondContact O-OG1 2.89Å; E1121-T1124 WeakPolarHBondContact CA-OG1 3.2Å; E1121-T1124 PolarHBondContact O-N 3.22Å; E1121-T1124 PolarHBondContact O-OG1 3.23Å; T1124-S1128 VanDerWaalsContact O-CB 3.29Å; T1124-S1128 WeakPolarHBondContact O-CB 3.37Å; T1124-S1128 PolarHBondContact O-N 3.38Å |
| 1125 | V | 78.1 | Confident | 76.9 | Confident | 91 Ų | 91 | 105.6 Ų | 105.6 | 55% | 0.552 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.6 | -36.4 | 173.4 | 170.4 | 0 | 0 | 0 | 0 | 111.5 | E1121 L1122 E1123 S1128 R1129 | E1121-V1125 WeakPolarHBondContact O-CG2 3.49Å; E1121-V1125 PolarHBondContact O-N 3.12Å; L1122-V1125 PolarHBondContact O-N 2.81Å; E1123-V1125 VanDerWaalsContact C-N 3.3Å; E1123-V1125 PolarHBondContact O-N 3.49Å; V1125-S1128 PolarHBondContact O-N 2.82Å; V1125-R1129 WeakPolarHBondContact O-CB 3.49Å; V1125-R1129 PolarHBondContact O-N 2.94Å |
| 1126 | K | 75.3 | Confident | 77.4 | Confident | 94 Ų | 94 | 108.7 Ų | 108.7 | 41% | 0.409 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -61.9 | -49.3 | 170.2 | -72.3 | 171.2 | -172.6 | 167.4 | 0 | 111.3 | L1122 E1123 S1128 R1129 E1130 | L1122-K1126 WeakPolarHBondContact O-CG 3.47Å; L1122-K1126 PolarHBondContact O-N 3.45Å; E1123-K1126 VanDerWaalsContact CD-NZ 3.25Å; E1123-K1126 WeakPolarHBondContact O-CB 3.46Å; E1123-K1126 PolarHBondContact O-N 2.89Å; E1123-K1126 VanDerWaalsContact OE1-CD 3.24Å; E1123-K1126 WeakPolarHBondContact OE1-CD 3.01Å; E1123-K1126 IonicContact OE1-NZ 3.11Å; E1123-K1126 PolarHBondContact OE1-NZ 2.92Å; E1123-K1126 VanDerWaalsContact OE1-NZ 3.08Å; E1123-K1126 IonicContact OE2-NZ 2.71Å; E1123-K1126 PolarHBondContact OE2-NZ 3.01Å; K1126-S1128 VanDerWaalsContact C-N 3.3Å; K1126-S1128 PolarHBondContact O-N 3.32Å; K1126-R1129 CarbonylContact O-C 3.54Å; K1126-R1129 WeakPolarHBondContact O-CB 3.3Å; K1126-R1129 PolarHBondContact O-N 2.79Å; K1126-E1130 WeakPolarHBondContact O-CB 3.27Å; K1126-E1130 PolarHBondContact O-N 3.29Å |
| 1127 | L | 78.1 | Confident | 77.5 | Confident | 91 Ų | 91 | 104.7 Ų | 104.7 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.6 | -38.4 | 176.7 | -72.3 | 165.5 | 0 | 0 | 0 | 111.6 | E1123 E1130 N1131 | E1123-L1127 WeakPolarHBondContact O-CG 3.41Å; E1123-L1127 PolarHBondContact O-N 3.15Å; L1127-E1130 PolarHBondContact O-N 2.79Å; L1127-N1131 WeakPolarHBondContact O-CB 3.14Å; L1127-N1131 VanDerWaalsContact O-CG 3.26Å; L1127-N1131 PolarHBondContact O-N 3.18Å; L1127-N1131 PolarHBondContact O-ND2 3.13Å |
| 1128 | S | 76.5 | Confident | 77.6 | Confident | 62 Ų | 62 | 105 Ų | 105 | 43% | 0.434 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 171.6 | -173.2 | 0 | 0 | 0 | 0 | 112.1 | T1124 V1125 K1126 L1132 | T1124-S1128 VanDerWaalsContact O-CB 3.29Å; T1124-S1128 WeakPolarHBondContact O-CB 3.37Å; T1124-S1128 PolarHBondContact O-N 3.38Å; V1125-S1128 PolarHBondContact O-N 2.82Å; K1126-S1128 VanDerWaalsContact C-N 3.3Å; K1126-S1128 PolarHBondContact O-N 3.32Å; S1128-L1132 WeakPolarHBondContact O-CB 3.37Å; S1128-L1132 VanDerWaalsContact O-CG 3.28Å; S1128-L1132 WeakPolarHBondContact O-CG 3.34Å; S1128-L1132 PolarHBondContact O-N 3.43Å |
| 1129 | R | 78.3 | Confident | 77.7 | Confident | 186 Ų | 186 | 105.2 Ų | 105.2 | 70% | 0.702 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -69.6 | -36.9 | 177.1 | -165.3 | -173.6 | 76.2 | 165.8 | 4.7 | 111.7 | V1125 K1126 L1132 Q1133 | V1125-R1129 WeakPolarHBondContact O-CB 3.49Å; V1125-R1129 PolarHBondContact O-N 2.94Å; K1126-R1129 CarbonylContact O-C 3.54Å; K1126-R1129 WeakPolarHBondContact O-CB 3.3Å; K1126-R1129 PolarHBondContact O-N 2.79Å; R1129-L1132 PolarHBondContact O-N 3.05Å; R1129-Q1133 VanDerWaalsContact O-CB 3.25Å; R1129-Q1133 WeakPolarHBondContact O-CB 3.37Å; R1129-Q1133 PolarHBondContact O-N 3.2Å |
| 1130 | E | 76.6 | Confident | 77.8 | Confident | 114 Ų | 114 | 100.8 Ų | 100.8 | 53% | 0.533 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -41.8 | 176.5 | -171.5 | 166.5 | -141.7 | 0 | 0 | 111.2 | K1126 L1127 Q1133 N1134 | K1126-E1130 WeakPolarHBondContact O-CB 3.27Å; K1126-E1130 PolarHBondContact O-N 3.29Å; L1127-E1130 PolarHBondContact O-N 2.79Å; E1130-Q1133 PolarHBondContact O-N 2.75Å; E1130-N1134 WeakPolarHBondContact O-CB 3.21Å; E1130-N1134 VanDerWaalsContact O-CG 3.22Å; E1130-N1134 PolarHBondContact O-N 3.28Å; E1130-N1134 PolarHBondContact O-ND2 3.04Å; E1130-N1134 VanDerWaalsContact O-ND2 3.07Å |
| 1131 | N | 78.3 | Confident | 78 | Confident | 97 Ų | 97 | 100 Ų | 100 | 52% | 0.519 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -46.3 | 170.8 | -72.8 | -26 | 0 | 0 | 0 | 111.9 | L1127 Q1133 N1134 E1135 | L1127-N1131 WeakPolarHBondContact O-CB 3.14Å; L1127-N1131 VanDerWaalsContact O-CG 3.26Å; L1127-N1131 PolarHBondContact O-N 3.18Å; L1127-N1131 PolarHBondContact O-ND2 3.13Å; N1131-Q1133 VanDerWaalsContact C-N 3.31Å; N1131-Q1133 PolarHBondContact O-N 3.42Å; N1131-N1134 CarbonylContact O-C 3.59Å; N1131-N1134 PolarHBondContact O-N 2.9Å; N1131-N1134 VanDerWaalsContact O-N 3.14Å; N1131-E1135 PolarHBondContact O-N 3.48Å |
| 1132 | L | 76.5 | Confident | 78.1 | Confident | 101 Ų | 101 | 100.3 Ų | 100.3 | 53% | 0.529 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -64.7 | -32.7 | 175.2 | -75.4 | 167.5 | 0 | 0 | 0 | 112.7 | S1128 R1129 Y1136 | S1128-L1132 WeakPolarHBondContact O-CB 3.37Å; S1128-L1132 VanDerWaalsContact O-CG 3.28Å; S1128-L1132 WeakPolarHBondContact O-CG 3.34Å; S1128-L1132 PolarHBondContact O-N 3.43Å; R1129-L1132 PolarHBondContact O-N 3.05Å; L1132-Y1136 VanDerWaalsContact O-CB 3.26Å; L1132-Y1136 WeakPolarHBondContact O-CB 3.42Å; L1132-Y1136 PolarHBondContact O-N 3.37Å |
| 1133 | Q | 78.6 | Confident | 78.2 | Confident | 95 Ų | 95 | 100 Ų | 100 | 44% | 0.444 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.4 | -37.9 | 172.7 | -172.3 | 65.1 | 60.5 | 0 | 0 | 110.9 | R1129 E1130 N1131 Y1136 N1137 | R1129-Q1133 VanDerWaalsContact O-CB 3.25Å; R1129-Q1133 WeakPolarHBondContact O-CB 3.37Å; R1129-Q1133 PolarHBondContact O-N 3.2Å; E1130-Q1133 PolarHBondContact O-N 2.75Å; N1131-Q1133 VanDerWaalsContact C-N 3.31Å; N1131-Q1133 PolarHBondContact O-N 3.42Å; Q1133-Y1136 PolarHBondContact O-N 2.93Å; Q1133-N1137 PolarHBondContact NE2-OD1 3.24Å; Q1133-N1137 VanDerWaalsContact O-CB 3.26Å; Q1133-N1137 WeakPolarHBondContact O-CB 3.15Å; Q1133-N1137 PolarHBondContact O-N 2.84Å; Q1133-N1137 PolarHBondContact O-ND2 3.05Å; Q1133-N1137 PolarHBondContact O-OD1 2.78Å |
| 1134 | N | 77.8 | Confident | 78.2 | Confident | 91 Ų | 91 | 98.7 Ų | 98.7 | 49% | 0.487 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -69 | -38.2 | 174.7 | -71.4 | -36 | 0 | 0 | 0 | 111.9 | E1130 N1131 H1138 | E1130-N1134 WeakPolarHBondContact O-CB 3.21Å; E1130-N1134 VanDerWaalsContact O-CG 3.22Å; E1130-N1134 PolarHBondContact O-N 3.28Å; E1130-N1134 PolarHBondContact O-ND2 3.04Å; E1130-N1134 VanDerWaalsContact O-ND2 3.07Å; N1131-N1134 CarbonylContact O-C 3.59Å; N1131-N1134 PolarHBondContact O-N 2.9Å; N1131-N1134 VanDerWaalsContact O-N 3.14Å; N1134-H1138 VanDerWaalsContact O-CB 3.28Å; N1134-H1138 WeakPolarHBondContact O-CB 3.36Å; N1134-H1138 PolarHBondContact O-N 2.92Å |
| 1135 | E | 78.9 | Confident | 78.3 | Confident | 118 Ų | 118 | 99.5 Ų | 99.5 | 55% | 0.551 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.2 | -43.5 | 171 | -73.3 | -176.4 | 163 | 0 | 0 | 111.7 | N1131 H1138 I1139 | N1131-E1135 PolarHBondContact O-N 3.48Å; E1135-H1138 PolarHBondContact O-N 3.08Å; E1135-I1139 WeakPolarHBondContact O-CB 3.38Å; E1135-I1139 VanDerWaalsContact O-CG1 3.28Å; E1135-I1139 WeakPolarHBondContact O-CG1 3.19Å; E1135-I1139 PolarHBondContact O-N 2.85Å |
| 1136 | Y | 81.5 | Confident | 78.3 | Confident | 140 Ų | 140 | 100.1 Ų | 100.1 | 55% | 0.549 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -59.5 | -47.6 | 173.4 | 176.8 | -92.9 | 0 | 0 | 0 | 111.4 | L1132 Q1133 H1138 I1139 Q1140 | L1132-Y1136 VanDerWaalsContact O-CB 3.26Å; L1132-Y1136 WeakPolarHBondContact O-CB 3.42Å; L1132-Y1136 PolarHBondContact O-N 3.37Å; Q1133-Y1136 PolarHBondContact O-N 2.93Å; Y1136-H1138 VanDerWaalsContact C-N 3.29Å; Y1136-H1138 PolarHBondContact O-N 3.47Å; Y1136-I1139 PolarHBondContact O-N 3.03Å; Y1136-Q1140 WeakPolarHBondContact O-CB 3.3Å; Y1136-Q1140 PolarHBondContact O-N 3.09Å |
| 1137 | N | 80.1 | Confident | 78.4 | Confident | 74 Ų | 74 | 102.3 Ų | 102.3 | 40% | 0.396 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.5 | -40 | 175.7 | -67.2 | -8.5 | 0 | 0 | 0 | 110.7 | Q1133 Q1140 D1141 | Q1133-N1137 PolarHBondContact NE2-OD1 3.24Å; Q1133-N1137 VanDerWaalsContact O-CB 3.26Å; Q1133-N1137 WeakPolarHBondContact O-CB 3.15Å; Q1133-N1137 PolarHBondContact O-N 2.84Å; Q1133-N1137 PolarHBondContact O-ND2 3.05Å; Q1133-N1137 PolarHBondContact O-OD1 2.78Å; N1137-Q1140 WeakPolarHBondContact O-CB 3.36Å; N1137-Q1140 PolarHBondContact O-N 2.83Å; N1137-D1141 VanDerWaalsContact O-CB 3.31Å; N1137-D1141 WeakPolarHBondContact O-CB 3.33Å; N1137-D1141 PolarHBondContact O-N 3.22Å |
| 1138 | H | 79.1 | Confident | 78.3 | Confident | 113 Ų | 113 | 103.5 Ų | 103.5 | 52% | 0.523 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68 | -40.3 | 177.5 | -170.4 | 56.6 | 0 | 0 | 0 | 112.8 | N1134 E1135 Y1136 D1141 E1142 | N1134-H1138 VanDerWaalsContact O-CB 3.28Å; N1134-H1138 WeakPolarHBondContact O-CB 3.36Å; N1134-H1138 PolarHBondContact O-N 2.92Å; E1135-H1138 PolarHBondContact O-N 3.08Å; Y1136-H1138 VanDerWaalsContact C-N 3.29Å; Y1136-H1138 PolarHBondContact O-N 3.47Å; H1138-D1141 CarbonylContact O-C 3.58Å; H1138-D1141 VanDerWaalsContact O-CB 3.31Å; H1138-D1141 WeakPolarHBondContact O-CB 3.26Å; H1138-D1141 PolarHBondContact O-N 3.36Å; H1138-E1142 WeakPolarHBondContact O-CG 3.26Å; H1138-E1142 PolarHBondContact O-N 3.08Å |
| 1139 | I | 78.5 | Confident | 78.3 | Confident | 111 Ų | 111 | 107.3 Ų | 107.3 | 57% | 0.569 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -66.3 | -39.1 | 174.2 | -69.9 | 165 | 0 | 0 | 0 | 110.5 | E1135 Y1136 E1142 L1143 | E1135-I1139 WeakPolarHBondContact O-CB 3.38Å; E1135-I1139 VanDerWaalsContact O-CG1 3.28Å; E1135-I1139 WeakPolarHBondContact O-CG1 3.19Å; E1135-I1139 PolarHBondContact O-N 2.85Å; Y1136-I1139 PolarHBondContact O-N 3.03Å; I1139-E1142 PolarHBondContact O-N 2.68Å; I1139-L1143 WeakPolarHBondContact O-CB 3.4Å; I1139-L1143 PolarHBondContact O-N 2.8Å |
| 1140 | Q | 78.9 | Confident | 78.1 | Confident | 64 Ų | 64 | 103.4 Ų | 103.4 | 30% | 0.299 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -45.2 | 172 | -173.1 | 65.4 | 37.4 | 0 | 0 | 110.6 | Y1136 N1137 E1142 L1143 D1144 | Y1136-Q1140 WeakPolarHBondContact O-CB 3.3Å; Y1136-Q1140 PolarHBondContact O-N 3.09Å; N1137-Q1140 WeakPolarHBondContact O-CB 3.36Å; N1137-Q1140 PolarHBondContact O-N 2.83Å; Q1140-E1142 VanDerWaalsContact C-N 3.29Å; Q1140-E1142 PolarHBondContact O-N 3.41Å; Q1140-L1143 WeakPolarHBondContact O-CB 3.46Å; Q1140-L1143 PolarHBondContact O-N 3.01Å; Q1140-L1143 VanDerWaalsContact O-N 3.13Å; Q1140-D1144 PolarHBondContact NE2-OD2 3.45Å; Q1140-D1144 PolarHBondContact O-N 3.21Å |
| 1141 | D | 78.8 | Confident | 78 | Confident | 93 Ų | 93 | 103.3 Ų | 103.3 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.1 | -33.5 | 174.9 | -130.3 | 44.8 | 0 | 0 | 0 | 112.6 | N1137 H1138 K1145 | N1137-D1141 VanDerWaalsContact O-CB 3.31Å; N1137-D1141 WeakPolarHBondContact O-CB 3.33Å; N1137-D1141 PolarHBondContact O-N 3.22Å; H1138-D1141 CarbonylContact O-C 3.58Å; H1138-D1141 VanDerWaalsContact O-CB 3.31Å; H1138-D1141 WeakPolarHBondContact O-CB 3.26Å; H1138-D1141 PolarHBondContact O-N 3.36Å; D1141-K1145 VanDerWaalsContact CG-NZ 3.27Å; D1141-K1145 WeakPolarHBondContact O-CB 3.37Å; D1141-K1145 WeakPolarHBondContact O-CD 3.37Å; D1141-K1145 VanDerWaalsContact O-CE 3.3Å; D1141-K1145 WeakPolarHBondContact O-CE 3.47Å; D1141-K1145 WeakPolarHBondContact O-CG 3.42Å; D1141-K1145 PolarHBondContact O-N 3.45Å; D1141-K1145 PolarHBondContact O-NZ 3.31Å; D1141-K1145 IonicContact OD2-NZ 3.45Å; D1141-K1145 PolarHBondContact OD2-NZ 3.39Å |
| 1142 | E | 80 | Confident | 77.7 | Confident | 110 Ų | 110 | 101 Ų | 101 | 51% | 0.514 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -76.3 | -39 | 171.6 | -72.5 | -132.4 | 121.2 | 0 | 0 | 112 | H1138 I1139 Q1140 K1145 L1146 | H1138-E1142 WeakPolarHBondContact O-CG 3.26Å; H1138-E1142 PolarHBondContact O-N 3.08Å; I1139-E1142 PolarHBondContact O-N 2.68Å; Q1140-E1142 VanDerWaalsContact C-N 3.29Å; Q1140-E1142 PolarHBondContact O-N 3.41Å; E1142-K1145 PolarHBondContact O-N 3.26Å; E1142-L1146 WeakPolarHBondContact O-CB 3.38Å; E1142-L1146 VanDerWaalsContact O-CG 3.27Å; E1142-L1146 WeakPolarHBondContact O-CG 3.5Å; E1142-L1146 PolarHBondContact O-N 3.33Å |
| 1143 | L | 76 | Confident | 77.6 | Confident | 83 Ų | 83 | 99.2 Ų | 99.2 | 44% | 0.435 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177.8 | -163.3 | 84.4 | 0 | 0 | 0 | 111.2 | I1139 Q1140 L1146 R1147 | I1139-L1143 WeakPolarHBondContact O-CB 3.4Å; I1139-L1143 PolarHBondContact O-N 2.8Å; Q1140-L1143 WeakPolarHBondContact O-CB 3.46Å; Q1140-L1143 PolarHBondContact O-N 3.01Å; Q1140-L1143 VanDerWaalsContact O-N 3.13Å; L1143-L1146 CarbonylContact O-C 3.6Å; L1143-L1146 WeakPolarHBondContact O-CB 3.03Å; L1143-L1146 PolarHBondContact O-N 3.01Å; L1143-R1147 WeakPolarHBondContact O-CG 3.48Å; L1143-R1147 PolarHBondContact O-N 3.31Å |
| 1144 | D | 78.8 | Confident | 77.2 | Confident | 56 Ų | 56 | 98.1 Ų | 98.1 | 30% | 0.299 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.7 | -30.2 | 178.4 | -70.1 | -40 | 0 | 0 | 0 | 111.8 | Q1140 L1146 R1147 L1148 | Q1140-D1144 PolarHBondContact NE2-OD2 3.45Å; Q1140-D1144 PolarHBondContact O-N 3.21Å; D1144-L1146 VanDerWaalsContact C-N 3.34Å; D1144-R1147 PolarHBondContact O-N 3.46Å; D1144-R1147 WeakPolarHBondContact OD1-CD 3.37Å; D1144-R1147 IonicContact OD1-CZ 3.14Å; D1144-R1147 IonicContact OD1-NE 2.7Å; D1144-R1147 IonicContact OD1-NH1 2.71Å; D1144-R1147 PolarHBondContact OD1-NH1 3.37Å; D1144-L1148 WeakPolarHBondContact O-CB 3.31Å; D1144-L1148 WeakPolarHBondContact O-CG 3.49Å; D1144-L1148 PolarHBondContact O-N 2.85Å |
| 1145 | K | 80.3 | Confident | 76.8 | Confident | 105 Ų | 105 | 98.7 Ų | 98.7 | 46% | 0.457 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.2 | -38.5 | 164.1 | -74.5 | 165.3 | -157.9 | 121.7 | 0 | 112 | D1141 E1142 K1149 | D1141-K1145 VanDerWaalsContact CG-NZ 3.27Å; D1141-K1145 WeakPolarHBondContact O-CB 3.37Å; D1141-K1145 WeakPolarHBondContact O-CD 3.37Å; D1141-K1145 VanDerWaalsContact O-CE 3.3Å; D1141-K1145 WeakPolarHBondContact O-CE 3.47Å; D1141-K1145 WeakPolarHBondContact O-CG 3.42Å; D1141-K1145 PolarHBondContact O-N 3.45Å; D1141-K1145 PolarHBondContact O-NZ 3.31Å; D1141-K1145 IonicContact OD2-NZ 3.45Å; D1141-K1145 PolarHBondContact OD2-NZ 3.39Å; E1142-K1145 PolarHBondContact O-N 3.26Å; K1145-K1149 WeakPolarHBondContact O-CB 3.44Å; K1145-K1149 PolarHBondContact O-N 3.23Å |
| 1146 | L | 76.4 | Confident | 76.4 | Confident | 105 Ų | 105 | 99.5 Ų | 99.5 | 55% | 0.55 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.7 | -35.7 | 175.5 | -75.7 | 170.8 | 0 | 0 | 0 | 111.8 | E1142 L1143 D1144 K1149 N1150 | E1142-L1146 WeakPolarHBondContact O-CB 3.38Å; E1142-L1146 VanDerWaalsContact O-CG 3.27Å; E1142-L1146 WeakPolarHBondContact O-CG 3.5Å; E1142-L1146 PolarHBondContact O-N 3.33Å; L1143-L1146 CarbonylContact O-C 3.6Å; L1143-L1146 WeakPolarHBondContact O-CB 3.03Å; L1143-L1146 PolarHBondContact O-N 3.01Å; D1144-L1146 VanDerWaalsContact C-N 3.34Å; L1146-K1149 PolarHBondContact O-N 3.49Å; L1146-N1150 WeakPolarHBondContact O-CB 3.49Å; L1146-N1150 PolarHBondContact O-N 3.5Å |
| 1147 | R | 77.4 | Confident | 75.7 | Confident | 140 Ų | 140 | 96.9 Ų | 96.9 | 53% | 0.528 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -62.4 | -54.4 | 170.2 | -79.2 | 165.5 | 152.9 | -174.5 | -7.4 | 111.4 | L1143 D1144 K1149 N1150 E1151 | L1143-R1147 WeakPolarHBondContact O-CG 3.48Å; L1143-R1147 PolarHBondContact O-N 3.31Å; D1144-R1147 PolarHBondContact O-N 3.46Å; D1144-R1147 WeakPolarHBondContact OD1-CD 3.37Å; D1144-R1147 IonicContact OD1-CZ 3.14Å; D1144-R1147 IonicContact OD1-NE 2.7Å; D1144-R1147 IonicContact OD1-NH1 2.71Å; D1144-R1147 PolarHBondContact OD1-NH1 3.37Å; R1147-K1149 PolarHBondContact O-N 3.2Å; R1147-N1150 CarbonylContact O-C 3.59Å; R1147-N1150 WeakPolarHBondContact O-CA 3.17Å; R1147-N1150 PolarHBondContact O-N 3.36Å; R1147-E1151 WeakPolarHBondContact O-CB 3.45Å; R1147-E1151 WeakPolarHBondContact O-CG 3.41Å; R1147-E1151 PolarHBondContact O-N 2.91Å |
| 1148 | L | 77.2 | Confident | 74.7 | Confident | 116 Ų | 116 | 96.3 Ų | 96.3 | 61% | 0.607 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -57.2 | -36.2 | 176.1 | -73.3 | 167.3 | 0 | 0 | 0 | 112.3 | D1144 S1152 | D1144-L1148 WeakPolarHBondContact O-CB 3.31Å; D1144-L1148 WeakPolarHBondContact O-CG 3.49Å; D1144-L1148 PolarHBondContact O-N 2.85Å; L1148-S1152 VanDerWaalsContact O-CB 3.28Å; L1148-S1152 WeakPolarHBondContact O-CB 3.5Å; L1148-S1152 PolarHBondContact O-N 2.67Å |
| 1149 | K | 76.3 | Confident | 73.8 | Confident | 142 Ų | 142 | 93.7 Ų | 93.7 | 62% | 0.617 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -69.4 | -39.9 | 173.6 | -171.4 | 177.2 | -178.6 | -177.8 | 0 | 112.1 | K1145 L1146 R1147 S1152 T1153 | K1145-K1149 WeakPolarHBondContact O-CB 3.44Å; K1145-K1149 PolarHBondContact O-N 3.23Å; L1146-K1149 PolarHBondContact O-N 3.49Å; R1147-K1149 PolarHBondContact O-N 3.2Å; K1149-S1152 WeakPolarHBondContact O-CB 3.46Å; K1149-S1152 PolarHBondContact O-N 2.95Å; K1149-T1153 PolarHBondContact O-N 2.67Å; K1149-T1153 PolarHBondContact O-OG1 3.41Å |
| 1150 | N | 74.2 | Confident | 73 | Confident | 103 Ų | 103 | 90 Ų | 90 | 55% | 0.551 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -71.7 | -36.2 | 178.4 | -164.6 | 30.4 | 0 | 0 | 0 | 112.2 | L1146 R1147 T1153 T1154 | L1146-N1150 WeakPolarHBondContact O-CB 3.49Å; L1146-N1150 PolarHBondContact O-N 3.5Å; R1147-N1150 CarbonylContact O-C 3.59Å; R1147-N1150 WeakPolarHBondContact O-CA 3.17Å; R1147-N1150 PolarHBondContact O-N 3.36Å; N1150-T1153 VanDerWaalsContact CA-OG1 3.28Å; N1150-T1153 WeakPolarHBondContact CA-OG1 3.23Å; N1150-T1153 PolarHBondContact O-N 2.68Å; N1150-T1153 PolarHBondContact O-OG1 3.11Å; N1150-T1154 VanDerWaalsContact O-CB 3.27Å; N1150-T1154 WeakPolarHBondContact O-CB 3.39Å; N1150-T1154 PolarHBondContact O-N 2.83Å; N1150-T1154 PolarHBondContact O-OG1 2.95Å |
| 1151 | E | 75 | Confident | 72 | Confident | 112 Ų | 112 | 91.4 Ų | 91.4 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.9 | -43.6 | 168.5 | -70.9 | 170.9 | 161.4 | 0 | 0 | 110.3 | R1147 T1153 T1154 V1155 | R1147-E1151 WeakPolarHBondContact O-CB 3.45Å; R1147-E1151 WeakPolarHBondContact O-CG 3.41Å; R1147-E1151 PolarHBondContact O-N 2.91Å; E1151-T1153 VanDerWaalsContact C-N 3.33Å; E1151-T1153 PolarHBondContact O-N 2.84Å; E1151-T1154 PolarHBondContact O-N 3.08Å; E1151-T1154 VanDerWaalsContact O-N 3.13Å; E1151-V1155 WeakPolarHBondContact O-CG2 3.2Å; E1151-V1155 PolarHBondContact O-N 3.24Å |
| 1152 | S | 72.5 | Confident | 70.8 | Confident | 50 Ų | 50 | 93.3 Ų | 93.3 | 35% | 0.35 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.3 | -39.9 | 173.2 | -167.5 | 0 | 0 | 0 | 0 | 112.5 | L1148 K1149 K1156 | L1148-S1152 VanDerWaalsContact O-CB 3.28Å; L1148-S1152 WeakPolarHBondContact O-CB 3.5Å; L1148-S1152 PolarHBondContact O-N 2.67Å; K1149-S1152 WeakPolarHBondContact O-CB 3.46Å; K1149-S1152 PolarHBondContact O-N 2.95Å; S1152-K1156 WeakPolarHBondContact O-CB 3.26Å; S1152-K1156 VanDerWaalsContact O-CD 3.28Å; S1152-K1156 WeakPolarHBondContact O-CD 3.45Å; S1152-K1156 WeakPolarHBondContact O-CG 3.42Å; S1152-K1156 PolarHBondContact O-N 3.13Å; S1152-K1156 VanDerWaalsContact O-N 3.12Å; S1152-K1156 PolarHBondContact OG-NZ 3.28Å |
| 1153 | T | 73.7 | Confident | 69.6 | Low | 62 Ų | 62 | 91.1 Ų | 91.1 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -73 | -33.4 | 172.7 | 47.4 | 0 | 0 | 0 | 0 | 112.5 | K1149 N1150 E1151 K1156 V1157 | K1149-T1153 PolarHBondContact O-N 2.67Å; K1149-T1153 PolarHBondContact O-OG1 3.41Å; N1150-T1153 VanDerWaalsContact CA-OG1 3.28Å; N1150-T1153 WeakPolarHBondContact CA-OG1 3.23Å; N1150-T1153 PolarHBondContact O-N 2.68Å; N1150-T1153 PolarHBondContact O-OG1 3.11Å; E1151-T1153 VanDerWaalsContact C-N 3.33Å; E1151-T1153 PolarHBondContact O-N 2.84Å; T1153-K1156 CarbonylContact O-C 3.52Å; T1153-K1156 PolarHBondContact O-N 3.34Å; T1153-V1157 WeakPolarHBondContact O-CB 3.16Å; T1153-V1157 VanDerWaalsContact O-CG2 3.27Å; T1153-V1157 WeakPolarHBondContact O-CG2 3.47Å; T1153-V1157 PolarHBondContact O-N 2.97Å |
| 1154 | T | 70.6 | Confident | 68.4 | Low | 73 Ų | 73 | 91.5 Ų | 91.5 | 45% | 0.448 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.3 | -47.8 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 110.2 | N1150 E1151 K1156 V1157 S1158 | N1150-T1154 VanDerWaalsContact O-CB 3.27Å; N1150-T1154 WeakPolarHBondContact O-CB 3.39Å; N1150-T1154 PolarHBondContact O-N 2.83Å; N1150-T1154 PolarHBondContact O-OG1 2.95Å; E1151-T1154 PolarHBondContact O-N 3.08Å; E1151-T1154 VanDerWaalsContact O-N 3.13Å; T1154-K1156 VanDerWaalsContact C-N 3.3Å; T1154-K1156 PolarHBondContact O-N 3.47Å; T1154-V1157 CarbonylContact O-C 3.37Å; T1154-V1157 PolarHBondContact O-N 3.37Å; T1154-V1157 VanDerWaalsContact O-N 3.11Å; T1154-S1158 WeakPolarHBondContact O-CB 3.33Å; T1154-S1158 PolarHBondContact O-N 3.22Å; T1154-S1158 PolarHBondContact O-OG 2.92Å; T1154-S1158 VanDerWaalsContact O-OG 3.06Å |
| 1155 | V | 69.5 | Low | 67 | Low | 102 Ų | 102 | 95.7 Ų | 95.7 | 62% | 0.618 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -59.3 | -39 | 173 | 171.6 | 0 | 0 | 0 | 0 | 111.6 | E1151 A1159 | E1151-V1155 WeakPolarHBondContact O-CG2 3.2Å; E1151-V1155 PolarHBondContact O-N 3.24Å; V1155-A1159 VanDerWaalsContact O-CB 3.26Å; V1155-A1159 WeakPolarHBondContact O-CB 3.26Å; V1155-A1159 PolarHBondContact O-N 3.05Å |
| 1156 | K | 70.2 | Confident | 65.4 | Low | 135 Ų | 135 | 99.3 Ų | 99.3 | 59% | 0.587 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68.6 | -35.5 | 174.3 | -74.2 | 163.3 | -175.6 | 148.1 | 0 | 113.1 | S1152 T1153 T1154 G1160 | S1152-K1156 WeakPolarHBondContact O-CB 3.26Å; S1152-K1156 VanDerWaalsContact O-CD 3.28Å; S1152-K1156 WeakPolarHBondContact O-CD 3.45Å; S1152-K1156 WeakPolarHBondContact O-CG 3.42Å; S1152-K1156 PolarHBondContact O-N 3.13Å; S1152-K1156 VanDerWaalsContact O-N 3.12Å; S1152-K1156 PolarHBondContact OG-NZ 3.28Å; T1153-K1156 CarbonylContact O-C 3.52Å; T1153-K1156 PolarHBondContact O-N 3.34Å; T1154-K1156 VanDerWaalsContact C-N 3.3Å; T1154-K1156 PolarHBondContact O-N 3.47Å; K1156-G1160 PolarHBondContact O-N 2.9Å |
| 1157 | V | 66.7 | Low | 63.8 | Low | 86 Ų | 86 | 98.4 Ų | 98.4 | 52% | 0.521 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -72.7 | -40.6 | 174.9 | 167.8 | 0 | 0 | 0 | 0 | 110.6 | T1153 T1154 G1160 I1161 | T1153-V1157 WeakPolarHBondContact O-CB 3.16Å; T1153-V1157 VanDerWaalsContact O-CG2 3.27Å; T1153-V1157 WeakPolarHBondContact O-CG2 3.47Å; T1153-V1157 PolarHBondContact O-N 2.97Å; T1154-V1157 CarbonylContact O-C 3.37Å; T1154-V1157 PolarHBondContact O-N 3.37Å; T1154-V1157 VanDerWaalsContact O-N 3.11Å; V1157-G1160 CarbonylContact O-C 3.54Å; V1157-G1160 PolarHBondContact O-N 3.08Å; V1157-I1161 HydrophobicContact CG1-CD1 3.76Å; V1157-I1161 HydrophobicContact CG1-CG1 4.39Å; V1157-I1161 WeakPolarHBondContact O-CB 3.22Å; V1157-I1161 VanDerWaalsContact O-CG1 3.27Å; V1157-I1161 WeakPolarHBondContact O-CG1 3.5Å; V1157-I1161 PolarHBondContact O-N 3.34Å |
| 1158 | S | 59.3 | Low | 62.2 | Low | 61 Ų | 61 | 96.8 Ų | 96.8 | 43% | 0.427 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63 | -40.8 | 172 | -59.9 | 0 | 0 | 0 | 0 | 112.1 | T1154 I1161 Q1162 | T1154-S1158 WeakPolarHBondContact O-CB 3.33Å; T1154-S1158 PolarHBondContact O-N 3.22Å; T1154-S1158 PolarHBondContact O-OG 2.92Å; T1154-S1158 VanDerWaalsContact O-OG 3.06Å; S1158-I1161 PolarHBondContact O-N 2.98Å; S1158-Q1162 WeakPolarHBondContact O-CB 3.38Å; S1158-Q1162 WeakPolarHBondContact O-CG 3.1Å; S1158-Q1162 PolarHBondContact O-N 3.26Å |
| 1159 | A | 58.9 | Low | 60.2 | Low | 58 Ų | 58 | 98.7 Ų | 98.7 | 48% | 0.479 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -66 | -39.8 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | V1155 Q1162 A1163 | V1155-A1159 VanDerWaalsContact O-CB 3.26Å; V1155-A1159 WeakPolarHBondContact O-CB 3.26Å; V1155-A1159 PolarHBondContact O-N 3.05Å; A1159-Q1162 PolarHBondContact O-N 3.27Å; A1159-A1163 WeakPolarHBondContact O-CB 3.44Å; A1159-A1163 PolarHBondContact O-N 2.87Å |
| 1160 | G | 61.8 | Low | 58.2 | Low | 35 Ų | 35 | 96.3 Ų | 96.3 | 36% | 0.361 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -63.4 | -43.2 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | K1156 V1157 A1163 V1164 | K1156-G1160 PolarHBondContact O-N 2.9Å; V1157-G1160 CarbonylContact O-C 3.54Å; V1157-G1160 PolarHBondContact O-N 3.08Å; G1160-A1163 WeakPolarHBondContact O-CB 3.34Å; G1160-A1163 PolarHBondContact O-N 3.25Å; G1160-V1164 WeakPolarHBondContact O-CG2 3.4Å; G1160-V1164 PolarHBondContact O-N 3.01Å |
| 1161 | I | 59.4 | Low | 56.1 | Low | 93 Ų | 93 | 96.6 Ų | 96.6 | 48% | 0.477 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -66 | -43.4 | 175.7 | -70.4 | 167.6 | 0 | 0 | 0 | 110.1 | V1157 S1158 A1163 V1164 Q1165 | V1157-I1161 HydrophobicContact CG1-CD1 3.76Å; V1157-I1161 HydrophobicContact CG1-CG1 4.39Å; V1157-I1161 WeakPolarHBondContact O-CB 3.22Å; V1157-I1161 VanDerWaalsContact O-CG1 3.27Å; V1157-I1161 WeakPolarHBondContact O-CG1 3.5Å; V1157-I1161 PolarHBondContact O-N 3.34Å; S1158-I1161 PolarHBondContact O-N 2.98Å; I1161-A1163 VanDerWaalsContact C-N 3.3Å; I1161-A1163 PolarHBondContact O-N 3.24Å; I1161-V1164 PolarHBondContact O-N 3.31Å; I1161-Q1165 WeakPolarHBondContact O-CB 3.37Å; I1161-Q1165 PolarHBondContact O-N 2.71Å |
| 1162 | Q | 52.6 | Low | 54 | Low | 133 Ų | 133 | 97 Ų | 97 | 62% | 0.621 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.8 | -29.6 | 174.1 | -75.7 | -168.6 | -0.6 | 0 | 0 | 113.6 | S1158 A1159 K1166 | S1158-Q1162 WeakPolarHBondContact O-CB 3.38Å; S1158-Q1162 WeakPolarHBondContact O-CG 3.1Å; S1158-Q1162 PolarHBondContact O-N 3.26Å; A1159-Q1162 PolarHBondContact O-N 3.27Å; Q1162-K1166 PolarHBondContact O-N 3.41Å |
| 1163 | A | 54 | Low | 52 | Low | 64 Ų | 64 | 101.2 Ų | 101.2 | 53% | 0.529 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.3 | -45.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | A1159 G1160 I1161 K1166 S1167 | A1159-A1163 WeakPolarHBondContact O-CB 3.44Å; A1159-A1163 PolarHBondContact O-N 2.87Å; G1160-A1163 WeakPolarHBondContact O-CB 3.34Å; G1160-A1163 PolarHBondContact O-N 3.25Å; I1161-A1163 VanDerWaalsContact C-N 3.3Å; I1161-A1163 PolarHBondContact O-N 3.24Å; A1163-K1166 PolarHBondContact O-N 2.89Å; A1163-S1167 PolarHBondContact O-N 2.73Å |
| 1164 | V | 52.5 | Low | 50 | Low | 90 Ų | 90 | 103.7 Ų | 103.7 | 55% | 0.545 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -64.6 | -42.7 | 175.4 | 170.9 | 0 | 0 | 0 | 0 | 111.6 | G1160 I1161 K1166 S1167 | G1160-V1164 WeakPolarHBondContact O-CG2 3.4Å; G1160-V1164 PolarHBondContact O-N 3.01Å; I1161-V1164 PolarHBondContact O-N 3.31Å; V1164-K1166 PolarHBondContact O-N 3.31Å; V1164-K1166 VanDerWaalsContact O-N 3.16Å; V1164-S1167 WeakPolarHBondContact CA-OG 3.29Å; V1164-S1167 PolarHBondContact O-N 2.84Å; V1164-S1167 PolarHBondContact O-OG 2.75Å |
| 1165 | Q | 48.2 | Very low | 48.1 | Very low | 145 Ų | 145 | 108 Ų | 108 | 68% | 0.678 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -62.5 | -23.9 | 178.1 | -148.2 | 98.2 | 7.3 | 0 | 0 | 112.4 | I1161 | I1161-Q1165 WeakPolarHBondContact O-CB 3.37Å; I1161-Q1165 PolarHBondContact O-N 2.71Å |
| 1166 | K | 46.9 | Very low | 46.4 | Very low | 180 Ų | 180 | 108.6 Ų | 108.6 | 78% | 0.783 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.3 | -5.4 | 174.8 | -75.5 | -179 | 175 | 176.9 | 0 | 114.1 | Q1162 A1163 V1164 | Q1162-K1166 PolarHBondContact O-N 3.41Å; A1163-K1166 PolarHBondContact O-N 2.89Å; V1164-K1166 PolarHBondContact O-N 3.31Å; V1164-K1166 VanDerWaalsContact O-N 3.16Å |
| 1167 | S | 43.8 | Very low | 44.7 | Very low | 87 Ų | 87 | 107.9 Ų | 107.9 | 61% | 0.608 | 64% | 0.635 | S | S | * | * | S | Bend | trans | -103.7 | 4.7 | -178.9 | 69.9 | 0 | 0 | 0 | 0 | 115.1 | A1163 V1164 | A1163-S1167 PolarHBondContact O-N 2.73Å; V1164-S1167 WeakPolarHBondContact CA-OG 3.29Å; V1164-S1167 PolarHBondContact O-N 2.84Å; V1164-S1167 PolarHBondContact O-OG 2.75Å |
| 1168 | V | 44 | Very low | 43.2 | Very low | 106 Ų | 106 | 110.2 Ų | 110.2 | 64% | 0.642 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -97 | -11 | -176 | 174.7 | 0 | 0 | 0 | 0 | 113.5 | ||
| 1169 | N | 34.9 | Very low | 42.2 | Very low | 155 Ų | 155 | 114.8 Ų | 114.8 | 83% | 0.829 | 65% | 0.652 | S | S | * | * | S | Bend | trans | -104.4 | 54.6 | -177.1 | -75.2 | -13.2 | 0 | 0 | 0 | 114.1 | ||
| 1170 | A | 33.3 | Very low | 41 | Very low | 93 Ų | 93 | 117.6 Ų | 117.6 | 77% | 0.769 | 66% | 0.663 | S | S | * | * | trans | -154.7 | 134.6 | 161.6 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 1171 | S | 30.1 | Very low | 39.7 | Very low | 109 Ų | 109 | 121.3 Ų | 121.3 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | trans | -112.9 | 159.1 | -167.8 | -52 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1172 | T | 31 | Very low | 38.5 | Very low | 121 Ų | 121 | 122 Ų | 122 | 74% | 0.742 | 69% | 0.687 | S | S | * | * | trans | 71.3 | 127.9 | 154.9 | 47.4 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1173 | N | 31 | Very low | 37.6 | Very low | 137 Ų | 137 | 122.3 Ų | 122.3 | 73% | 0.733 | 69% | 0.689 | S | S | * | * | trans | 91.2 | 108.8 | 137 | -65 | 2.9 | 0 | 0 | 0 | 123.2 | ||||
| 1174 | T | 32.1 | Very low | 36.6 | Very low | 115 Ų | 115 | 127.8 Ų | 127.8 | 71% | 0.706 | 70% | 0.697 | S | S | * | * | 70.7 | 111 | 127.7 | 59 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1175 | E | 30.2 | Very low | 35.6 | Very low | 162 Ų | 162 | 131 Ų | 131 | 76% | 0.757 | 71% | 0.711 | S | S | * | * | 93.2 | 127.3 | 122.6 | -77.6 | -167 | -165.2 | 0 | 0 | 124.9 | |||||
| 1176 | N | 33.5 | Very low | 35.7 | Very low | 116 Ų | 116 | 129.3 Ų | 129.3 | 62% | 0.62 | 71% | 0.712 | S | S | * | * | trans | 83.8 | 111.2 | 138.1 | -64.4 | -22.4 | 0 | 0 | 0 | 124.2 | ||||
| 1177 | T | 34.9 | Very low | 34.9 | Very low | 120 Ų | 120 | 130 Ų | 130 | 74% | 0.736 | 72% | 0.715 | S | S | * | * | trans | 66.7 | 148.3 | 130.4 | 63.3 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1178 | E | 34.3 | Very low | 34.4 | Very low | 134 Ų | 134 | 132.9 Ų | 132.9 | 63% | 0.626 | 72% | 0.723 | S | S | * | * | cis | -168.8 | 149.4 | -20 | -112.4 | -161.3 | 159.6 | 0 | 0 | 110.7 | ||||
| 1179 | K | 38.1 | Very low | 33.5 | Very low | 157 Ų | 157 | 135.2 Ų | 135.2 | 68% | 0.683 | 73% | 0.726 | S | S | * | * | trans | 63.8 | 165.4 | 143.3 | -70.3 | -177.8 | -175 | 142.2 | 0 | 119.4 | ||||
| 1180 | T | 34.3 | Very low | 33.3 | Very low | 118 Ų | 118 | 135.3 Ų | 135.3 | 72% | 0.724 | 73% | 0.726 | S | S | * | * | cis | -175.3 | 169.7 | -10.8 | 36.3 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1181 | V | 35.2 | Very low | 33.1 | Very low | 112 Ų | 112 | 136.1 Ų | 136.1 | 68% | 0.679 | 73% | 0.726 | S | S | * | * | cis | -167.9 | 139.1 | 0.1 | 120.4 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1182 | T | 33.8 | Very low | 33.2 | Very low | 108 Ų | 108 | 136.2 Ų | 136.2 | 66% | 0.663 | 73% | 0.727 | S | S | * | * | trans | 54.8 | 173 | 146.2 | 77.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 1183 | E | 33.7 | Very low | 33.3 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 65% | 0.65 | 73% | 0.734 | S | S | * | * | cis | -159.4 | 172.1 | 4 | -137.7 | 154.2 | -152.7 | 0 | 0 | 117.3 | ||||
| 1184 | Y | 33.1 | Very low | 33.4 | Very low | 180 Ų | 180 | 142.8 Ų | 142.8 | 71% | 0.706 | 74% | 0.74 | S | S | * | * | trans | 54.3 | 103.7 | 154 | -71.1 | -53.2 | 0 | 0 | 0 | 125.7 | ||||
| 1185 | L | 31.5 | Very low | 33.4 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 83% | 0.827 | 74% | 0.741 | S | S | * | * | 46.9 | 159.2 | 110.2 | -71.6 | 173.3 | 0 | 0 | 0 | 123.6 | |||||
| 1186 | P | 50.5 | Low | 33.5 | Very low | 109 Ų | 109 | 142.5 Ų | 142.5 | 71% | 0.708 | 74% | 0.74 | S | S | * | * | trans | -132.6 | -178.3 | -139.9 | 46.2 | -32.2 | 0 | 0 | 0 | 117 | ||||
| 1187 | K | 29.2 | Very low | 33.1 | Very low | 194 Ų | 194 | 143.3 Ų | 143.3 | 84% | 0.843 | 74% | 0.74 | S | S | * | * | trans | -170.8 | 159.6 | 151.9 | -117.2 | 163.5 | -170.8 | 172.4 | 0 | 115 | ||||
| 1188 | L | 32.7 | Very low | 32.7 | Very low | 147 Ų | 147 | 148.1 Ų | 148.1 | 77% | 0.77 | 75% | 0.746 | S | S | * | * | trans | 67.3 | 154.3 | 160.8 | -63.8 | 163.6 | 0 | 0 | 0 | 117.2 | ||||
| 1189 | Q | 25.6 | Very low | 32.4 | Very low | 155 Ų | 155 | 146.2 Ų | 146.2 | 72% | 0.724 | 75% | 0.748 | S | S | * | * | cis | -166.5 | 168.1 | -33.1 | -151.4 | 175.6 | 25.6 | 0 | 0 | 107.8 | ||||
| 1190 | L | 31.5 | Very low | 31.8 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 83% | 0.827 | 74% | 0.743 | S | S | * | * | trans | 69.4 | 152.6 | 173.9 | -54.2 | 168.3 | 0 | 0 | 0 | 114 | ||||
| 1191 | S | 29 | Very low | 31.8 | Very low | 109 Ų | 109 | 148.1 Ų | 148.1 | 76% | 0.762 | 74% | 0.742 | S | S | * | * | cis | -161.3 | 171.2 | -12.3 | 43.9 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1192 | S | 31.3 | Very low | 31.6 | Very low | 112 Ų | 112 | 149 Ų | 149 | 78% | 0.783 | 74% | 0.743 | S | S | * | * | trans | 68.6 | 85.7 | 162.7 | -161.6 | 0 | 0 | 0 | 0 | 118 | ||||
| 1193 | N | 34.3 | Very low | 31.5 | Very low | 165 Ų | 165 | 151.7 Ų | 151.7 | 88% | 0.882 | 75% | 0.746 | S | S | * | * | trans | -121 | 139.9 | 151.1 | -157.9 | -11.6 | 0 | 0 | 0 | 107 | ||||
| 1194 | R | 33.1 | Very low | 31.4 | Very low | 230 Ų | 230 | 152.5 Ų | 152.5 | 87% | 0.868 | 75% | 0.752 | S | S | * | * | trans | 97.2 | 152 | -153.9 | -70.5 | 179.5 | 170.5 | -170.9 | -1.9 | 113.7 | ||||
| 1195 | S | 30.8 | Very low | 31.2 | Very low | 103 Ų | 103 | 150 Ų | 150 | 72% | 0.72 | 74% | 0.741 | S | S | * | * | cis | -174.4 | 169.6 | -24.5 | -165.7 | 0 | 0 | 0 | 0 | 110 | ||||
| 1196 | K | 32.3 | Very low | 31.2 | Very low | 168 Ų | 168 | 149 Ų | 149 | 73% | 0.73 | 74% | 0.736 | S | S | * | * | trans | 73.5 | 120.3 | 157.8 | -74.4 | 178.9 | 166.2 | -163 | 0 | 121.4 | ||||
| 1197 | Q | 26.1 | Very low | 30.1 | Very low | 133 Ų | 133 | 148.7 Ų | 148.7 | 62% | 0.621 | 74% | 0.743 | S | S | * | * | 69.2 | 140.3 | 127.9 | -61.1 | 176.1 | -95.7 | 0 | 0 | 120.5 | |||||
| 1198 | Y | 25.7 | Very low | 30.2 | Very low | 222 Ų | 222 | 145.2 Ų | 145.2 | 87% | 0.871 | 74% | 0.743 | S | S | * | * | trans | 62.1 | 160.6 | 178.7 | -60.6 | -79.8 | 0 | 0 | 0 | 112.4 | ||||
| 1199 | S | 29 | Very low | 30.4 | Very low | 94 Ų | 94 | 143.7 Ų | 143.7 | 66% | 0.657 | 74% | 0.742 | S | S | * | * | cis | -150.3 | 142.4 | -3.7 | 157 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 1200 | E | 25.5 | Very low | 30.6 | Very low | 126 Ų | 126 | 145.8 Ų | 145.8 | 59% | 0.589 | 75% | 0.745 | S | S | * | * | trans | 6.6 | 143.3 | 139.7 | -72.5 | -173 | 153.1 | 0 | 0 | 122.7 | ||||
| 1201 | R | 32.9 | Very low | 30.5 | Very low | 188 Ų | 188 | 145.8 Ų | 145.8 | 71% | 0.709 | 74% | 0.741 | S | S | * | * | trans | 66.4 | 147.1 | 138.3 | -67.9 | 171.8 | -174.9 | 133.3 | 10.8 | 120.7 | ||||
| 1202 | N | 31 | Very low | 30.4 | Very low | 130 Ų | 130 | 145.2 Ų | 145.2 | 70% | 0.695 | 74% | 0.737 | S | S | * | * | trans | 68.6 | 151.9 | 162.3 | -63.7 | -39.8 | 0 | 0 | 0 | 116.1 | ||||
| 1203 | K | 33.7 | Very low | 30.4 | Very low | 165 Ų | 165 | 145.7 Ų | 145.7 | 72% | 0.717 | 73% | 0.734 | S | S | * | * | cis | -160.7 | 145.9 | -10.2 | -118.1 | 166.9 | -170.5 | 175.5 | 0 | 109.1 | ||||
| 1204 | M | 30.5 | Very low | 30.1 | Very low | 157 Ų | 157 | 146.7 Ų | 146.7 | 77% | 0.773 | 73% | 0.731 | S | S | * | * | trans | 57.9 | 144.2 | 166.2 | -51.6 | -43.2 | -163.1 | 0 | 0 | 117.2 | ||||
| 1205 | R | 29.4 | Very low | 29.9 | Very low | 126 Ų | 126 | 142.6 Ų | 142.6 | 48% | 0.475 | 73% | 0.726 | S | S | . | * | S | Bend | cis | 46.4 | 109.9 | -0.6 | -77.5 | -162.1 | -171.1 | -161.6 | 6.4 | 118.3 | ||
| 1206 | N | 30.6 | Very low | 29.8 | Very low | 138 Ų | 138 | 143.7 Ų | 143.7 | 74% | 0.738 | 73% | 0.728 | S | S | * | * | trans | 83 | 150.5 | 165 | -56.7 | 17.1 | 0 | 0 | 0 | 116.9 | ||||
| 1207 | A | 28.4 | Very low | 29.6 | Very low | 103 Ų | 103 | 141 Ų | 141 | 85% | 0.851 | 73% | 0.73 | S | S | * | * | trans | 66.5 | 141.5 | -170.3 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1208 | S | 31 | Very low | 29.8 | Very low | 120 Ų | 120 | 142.5 Ų | 142.5 | 84% | 0.839 | 74% | 0.737 | S | S | * | * | cis | -130.2 | 162.1 | 21.3 | -138.8 | 0 | 0 | 0 | 0 | 114 | ||||
| 1209 | P | 36.8 | Very low | 29.9 | Very low | 116 Ų | 116 | 138 Ų | 138 | 75% | 0.753 | 73% | 0.728 | S | S | * | * | trans | -110.3 | -178.5 | -170.6 | 42.6 | -34.4 | 0 | 0 | 0 | 114.5 | ||||
| 1210 | Y | 29.1 | Very low | 30 | Very low | 199 Ų | 199 | 140.5 Ų | 140.5 | 78% | 0.78 | 73% | 0.733 | S | S | * | * | trans | -92.1 | 140.8 | 156.7 | -120.6 | -97.2 | 0 | 0 | 0 | 110.6 | ||||
| 1211 | E | 29.6 | Very low | 30.3 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | 13.8 | 165.3 | 152.4 | -61.2 | 174.9 | 166.2 | 0 | 0 | 123.7 | ||||
| 1212 | S | 27.8 | Very low | 30.3 | Very low | 97 Ų | 97 | 137.2 Ų | 137.2 | 68% | 0.678 | 74% | 0.742 | S | S | * | * | -173.1 | 170.6 | -53.7 | 57.8 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 1213 | V | 31.5 | Very low | 30.3 | Very low | 122 Ų | 122 | 136.2 Ų | 136.2 | 74% | 0.739 | 75% | 0.745 | S | S | * | * | trans | 72.2 | 87.4 | 161.9 | -167.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1214 | K | 27.5 | Very low | 30.4 | Very low | 187 Ų | 187 | 137.6 Ų | 137.6 | 81% | 0.813 | 75% | 0.754 | S | S | * | * | 57.5 | 136.1 | 117.2 | -75.7 | -178.1 | 177.3 | 178.9 | 0 | 124.9 | |||||
| 1215 | L | 28.4 | Very low | 30.6 | Very low | 144 Ų | 144 | 137.6 Ų | 137.6 | 75% | 0.754 | 76% | 0.757 | S | S | * | * | trans | 94.5 | 91 | 137.6 | -73.6 | 163.4 | 0 | 0 | 0 | 122.6 | ||||
| 1216 | T | 29.4 | Very low | 31 | Very low | 125 Ų | 125 | 137.1 Ų | 137.1 | 77% | 0.767 | 77% | 0.773 | S | S | * | * | 52.8 | 115.6 | 125.4 | 55.8 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 1217 | S | 27.2 | Very low | 31.5 | Very low | 112 Ų | 112 | 135.6 Ų | 135.6 | 78% | 0.783 | 77% | 0.771 | S | S | * | * | -169.9 | 138.1 | 126.1 | 60 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 1218 | H | 30.4 | Very low | 32.1 | Very low | 164 Ų | 164 | 138.5 Ų | 138.5 | 76% | 0.759 | 77% | 0.772 | S | S | * | * | trans | 13.5 | 128.8 | 158.3 | -70.7 | -73.3 | 0 | 0 | 0 | 124.1 | ||||
| 1219 | D | 27.4 | Very low | 33.2 | Very low | 127 Ų | 127 | 135.8 Ų | 135.8 | 68% | 0.679 | 75% | 0.753 | S | S | * | * | 34.6 | 128.4 | 122.6 | -44.4 | -41.4 | 0 | 0 | 0 | 121.8 | |||||
| 1220 | L | 30.9 | Very low | 34.1 | Very low | 148 Ų | 148 | 136 Ų | 136 | 78% | 0.775 | 75% | 0.747 | S | S | * | * | 173.6 | 147.9 | 100.8 | -92 | 173.9 | 0 | 0 | 0 | 113.5 | |||||
| 1221 | N | 32.9 | Very low | 35.6 | Very low | 144 Ų | 144 | 133 Ų | 133 | 77% | 0.77 | 74% | 0.74 | S | S | * | * | trans | 64.5 | 148.7 | 159.2 | -59.9 | -20.3 | 0 | 0 | 0 | 118.9 | ||||
| 1222 | S | 32.9 | Very low | 37 | Very low | 101 Ų | 101 | 129.2 Ų | 129.2 | 71% | 0.706 | 73% | 0.73 | S | S | * | * | cis | -164.5 | 145.3 | -18.3 | 47.1 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1223 | S | 30.9 | Very low | 38.8 | Very low | 108 Ų | 108 | 132.9 Ų | 132.9 | 76% | 0.755 | 73% | 0.729 | S | S | * | * | trans | 5.8 | 130.9 | 161.4 | 59.4 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1224 | E | 36 | Very low | 40.8 | Very low | 194 Ų | 194 | 129.8 Ų | 129.8 | 91% | 0.907 | 71% | 0.711 | S | S | * | * | -150.1 | 174.4 | 124.4 | -131.1 | 169.6 | -147.8 | 0 | 0 | 112.2 | |||||
| 1225 | N | 34 | Very low | 43 | Very low | 157 Ų | 157 | 125 Ų | 125 | 84% | 0.84 | 69% | 0.691 | S | S | * | * | trans | -103.1 | 176.9 | -165.3 | -66.8 | -74 | 0 | 0 | 0 | 113.7 | ||||
| 1226 | S | 37.2 | Very low | 45.2 | Very low | 116 Ų | 116 | 120.7 Ų | 120.7 | 81% | 0.811 | 68% | 0.676 | S | S | * | * | trans | 112.3 | 139.1 | 158.1 | -151.5 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1227 | P | 41.6 | Very low | 47.3 | Very low | 107 Ų | 107 | 120 Ų | 120 | 70% | 0.695 | 67% | 0.667 | S | S | * | * | trans | -106.4 | 125.2 | -160.5 | 36.9 | -27.9 | 0 | 0 | 0 | 114.1 | ||||
| 1228 | D | 40.6 | Very low | 49.8 | Very low | 164 Ų | 164 | 119.7 Ų | 119.7 | 88% | 0.877 | 65% | 0.652 | S | S | * | * | trans | -166.8 | 94.4 | 138.2 | -112.7 | -29.3 | 0 | 0 | 0 | 109.5 | ||||
| 1229 | S | 55.3 | Low | 52 | Low | 63 Ų | 63 | 117.6 Ų | 117.6 | 44% | 0.441 | 64% | 0.642 | S | S | . | * | trans | -136 | 146.7 | 175.8 | -177.8 | 0 | 0 | 0 | 0 | 111.5 | E1231 S1232 R1233 | S1229-E1231 PolarHBondContact O-N 3.32Å; S1229-S1232 WeakPolarHBondContact O-CB 3.42Å; S1229-S1232 PolarHBondContact O-N 2.83Å; S1229-R1233 PolarHBondContact O-N 2.64Å | ||
| 1230 | I | 56.2 | Low | 54.4 | Low | 120 Ų | 120 | 113.6 Ų | 113.6 | 62% | 0.615 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.1 | -30.3 | -179.8 | -64.6 | 174.1 | 0 | 0 | 0 | 110.6 | S1232 R1233 V1234 | I1230-S1232 VanDerWaalsContact C-N 3.29Å; I1230-S1232 PolarHBondContact O-N 3.5Å; I1230-R1233 CarbonylContact O-C 3.58Å; I1230-R1233 PolarHBondContact O-N 2.77Å; I1230-V1234 HydrophobicContact CG2-CG2 4.07Å; I1230-V1234 WeakPolarHBondContact O-CB 3.37Å; I1230-V1234 WeakPolarHBondContact O-CG2 3.22Å; I1230-V1234 PolarHBondContact O-N 3.25Å |
| 1231 | E | 59.6 | Low | 56.6 | Low | 136 Ų | 136 | 110.5 Ų | 110.5 | 64% | 0.636 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -51.7 | -44.8 | 168.7 | -111.1 | 61.3 | -136.8 | 0 | 0 | 112.4 | S1229 R1233 V1234 E1235 | S1229-E1231 PolarHBondContact O-N 3.32Å; E1231-R1233 VanDerWaalsContact C-N 3.33Å; E1231-R1233 PolarHBondContact O-N 3.36Å; E1231-V1234 PolarHBondContact O-N 3.38Å; E1231-E1235 WeakPolarHBondContact O-CB 3.47Å; E1231-E1235 PolarHBondContact O-N 3.44Å |
| 1232 | S | 60 | Low | 58.9 | Low | 77 Ų | 77 | 109.4 Ų | 109.4 | 54% | 0.538 | 60% | 0.602 | S | S | . | * | H | α-helix | trans | -69.2 | -31.4 | 178.7 | -57.7 | 0 | 0 | 0 | 0 | 112.3 | S1229 I1230 A1236 | S1229-S1232 WeakPolarHBondContact O-CB 3.42Å; S1229-S1232 PolarHBondContact O-N 2.83Å; I1230-S1232 VanDerWaalsContact C-N 3.29Å; I1230-S1232 PolarHBondContact O-N 3.5Å; S1232-A1236 WeakPolarHBondContact O-CB 3.47Å; S1232-A1236 PolarHBondContact O-N 3.06Å |
| 1233 | R | 64 | Low | 61.2 | Low | 174 Ų | 174 | 112.1 Ų | 112.1 | 66% | 0.657 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -73.6 | -34.7 | 172.3 | -72.7 | 174.8 | 59.4 | -176.9 | -3.3 | 112.2 | S1229 I1230 E1231 L1237 | S1229-R1233 PolarHBondContact O-N 2.64Å; I1230-R1233 CarbonylContact O-C 3.58Å; I1230-R1233 PolarHBondContact O-N 2.77Å; E1231-R1233 VanDerWaalsContact C-N 3.33Å; E1231-R1233 PolarHBondContact O-N 3.36Å; R1233-L1237 VanDerWaalsContact O-CB 3.28Å; R1233-L1237 WeakPolarHBondContact O-CB 3.19Å; R1233-L1237 VanDerWaalsContact O-CG 3.22Å; R1233-L1237 WeakPolarHBondContact O-CG 3.22Å; R1233-L1237 PolarHBondContact O-N 2.77Å |
| 1234 | V | 75 | Confident | 63.5 | Low | 57 Ų | 57 | 111.6 Ų | 111.6 | 35% | 0.345 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -71.3 | -40.6 | 174.6 | 167.9 | 0 | 0 | 0 | 0 | 110.7 | I1230 E1231 L1237 K1238 | I1230-V1234 HydrophobicContact CG2-CG2 4.07Å; I1230-V1234 WeakPolarHBondContact O-CB 3.37Å; I1230-V1234 WeakPolarHBondContact O-CG2 3.22Å; I1230-V1234 PolarHBondContact O-N 3.25Å; E1231-V1234 PolarHBondContact O-N 3.38Å; V1234-L1237 CarbonylContact O-C 3.46Å; V1234-L1237 PolarHBondContact O-N 3.28Å; V1234-K1238 HydrophobicContact CG1-CD 4.36Å; V1234-K1238 WeakPolarHBondContact O-CG 3.3Å; V1234-K1238 PolarHBondContact O-N 2.68Å |
| 1235 | E | 73.5 | Confident | 65.6 | Low | 86 Ų | 86 | 110.8 Ų | 110.8 | 40% | 0.402 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -72.7 | -34.8 | 175.7 | -144 | 62.1 | -137.1 | 0 | 0 | 111.6 | E1231 L1237 K1238 Q1239 | E1231-E1235 WeakPolarHBondContact O-CB 3.47Å; E1231-E1235 PolarHBondContact O-N 3.44Å; E1235-L1237 VanDerWaalsContact C-N 3.34Å; E1235-K1238 VanDerWaalsContact CD-CD 3.47Å; E1235-K1238 PolarHBondContact O-N 3.15Å; E1235-K1238 WeakPolarHBondContact OE1-CD 3.37Å; E1235-K1238 IonicContact OE1-NZ 2.85Å; E1235-K1238 WeakPolarHBondContact OE2-CD 3.1Å; E1235-K1238 IonicContact OE2-NZ 3.17Å; E1235-K1238 PolarHBondContact OE2-NZ 3.31Å; E1235-Q1239 WeakPolarHBondContact O-CB 3.35Å; E1235-Q1239 WeakPolarHBondContact O-CG 3.38Å; E1235-Q1239 PolarHBondContact O-N 2.72Å |
| 1236 | A | 74 | Confident | 67.8 | Low | 54 Ų | 54 | 106.3 Ų | 106.3 | 45% | 0.446 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -64.7 | -35.2 | 167.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | S1232 A1240 | S1232-A1236 WeakPolarHBondContact O-CB 3.47Å; S1232-A1236 PolarHBondContact O-N 3.06Å; A1236-A1240 WeakPolarHBondContact O-CB 3.18Å; A1236-A1240 PolarHBondContact O-N 3.3Å |
| 1237 | L | 74.6 | Confident | 69.7 | Low | 110 Ų | 110 | 106.7 Ų | 106.7 | 58% | 0.576 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -74.9 | -29.2 | 174 | -79.3 | 168.4 | 0 | 0 | 0 | 113.2 | R1233 V1234 E1235 N1241 | R1233-L1237 VanDerWaalsContact O-CB 3.28Å; R1233-L1237 WeakPolarHBondContact O-CB 3.19Å; R1233-L1237 VanDerWaalsContact O-CG 3.22Å; R1233-L1237 WeakPolarHBondContact O-CG 3.22Å; R1233-L1237 PolarHBondContact O-N 2.77Å; V1234-L1237 CarbonylContact O-C 3.46Å; V1234-L1237 PolarHBondContact O-N 3.28Å; E1235-L1237 VanDerWaalsContact C-N 3.34Å; L1237-N1241 VanDerWaalsContact O-CB 3.28Å; L1237-N1241 WeakPolarHBondContact O-CB 3.29Å; L1237-N1241 PolarHBondContact O-N 3.29Å; L1237-N1241 PolarHBondContact O-ND2 3.47Å |
| 1238 | K | 78 | Confident | 71.4 | Confident | 107 Ų | 107 | 106 Ų | 106 | 47% | 0.465 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -71.5 | -43 | 168.9 | -73.7 | 166.7 | -174.6 | 168.7 | 0 | 111 | V1234 E1235 N1241 H1242 | V1234-K1238 HydrophobicContact CG1-CD 4.36Å; V1234-K1238 WeakPolarHBondContact O-CG 3.3Å; V1234-K1238 PolarHBondContact O-N 2.68Å; E1235-K1238 VanDerWaalsContact CD-CD 3.47Å; E1235-K1238 PolarHBondContact O-N 3.15Å; E1235-K1238 WeakPolarHBondContact OE1-CD 3.37Å; E1235-K1238 IonicContact OE1-NZ 2.85Å; E1235-K1238 WeakPolarHBondContact OE2-CD 3.1Å; E1235-K1238 IonicContact OE2-NZ 3.17Å; E1235-K1238 PolarHBondContact OE2-NZ 3.31Å; K1238-N1241 CarbonylContact O-C 3.51Å; K1238-N1241 PolarHBondContact O-N 2.99Å; K1238-H1242 VanDerWaalsContact O-CB 3.28Å; K1238-H1242 WeakPolarHBondContact O-CB 3.18Å; K1238-H1242 PolarHBondContact O-N 2.97Å |
| 1239 | Q | 76.7 | Confident | 73.2 | Confident | 119 Ų | 119 | 102.7 Ų | 102.7 | 56% | 0.556 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.7 | -41.8 | 172.9 | -76.1 | -176.3 | -3.3 | 0 | 0 | 110.8 | E1235 N1241 H1242 Y1243 | E1235-Q1239 WeakPolarHBondContact O-CB 3.35Å; E1235-Q1239 WeakPolarHBondContact O-CG 3.38Å; E1235-Q1239 PolarHBondContact O-N 2.72Å; Q1239-N1241 PolarHBondContact O-N 3.47Å; Q1239-H1242 CarbonylContact O-C 3.53Å; Q1239-H1242 PolarHBondContact O-N 2.68Å; Q1239-H1242 VanDerWaalsContact O-N 3.1Å; Q1239-Y1243 WeakPolarHBondContact O-CB 3.42Å; Q1239-Y1243 VanDerWaalsContact O-CD2 3.31Å; Q1239-Y1243 WeakPolarHBondContact O-CD2 3.27Å; Q1239-Y1243 PolarHBondContact O-N 3.19Å |
| 1240 | A | 78.5 | Confident | 74.1 | Confident | 43 Ų | 43 | 103.3 Ų | 103.3 | 36% | 0.355 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -64.2 | -38.1 | 172.1 | 0 | 0 | 0 | 0 | 0 | 112 | A1236 H1242 L1244 | A1236-A1240 WeakPolarHBondContact O-CB 3.18Å; A1236-A1240 PolarHBondContact O-N 3.3Å; A1240-H1242 VanDerWaalsContact C-N 3.32Å; A1240-L1244 VanDerWaalsContact O-CB 3.25Å; A1240-L1244 WeakPolarHBondContact O-CB 3.08Å; A1240-L1244 VanDerWaalsContact O-CG 3.26Å; A1240-L1244 WeakPolarHBondContact O-CG 3.12Å; A1240-L1244 PolarHBondContact O-N 2.99Å |
| 1241 | N | 77.7 | Confident | 74.7 | Confident | 83 Ų | 83 | 99.8 Ų | 99.8 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -31.3 | 170.2 | -94.9 | -95.2 | 0 | 0 | 0 | 112.7 | L1237 K1238 Q1239 R1245 | L1237-N1241 VanDerWaalsContact O-CB 3.28Å; L1237-N1241 WeakPolarHBondContact O-CB 3.29Å; L1237-N1241 PolarHBondContact O-N 3.29Å; L1237-N1241 PolarHBondContact O-ND2 3.47Å; K1238-N1241 CarbonylContact O-C 3.51Å; K1238-N1241 PolarHBondContact O-N 2.99Å; Q1239-N1241 PolarHBondContact O-N 3.47Å; N1241-R1245 WeakPolarHBondContact O-CB 3.25Å; N1241-R1245 WeakPolarHBondContact O-CD 3.29Å; N1241-R1245 WeakPolarHBondContact O-CG 3Å; N1241-R1245 PolarHBondContact O-N 3.39Å |
| 1242 | H | 81.4 | Confident | 75 | Confident | 122 Ų | 122 | 96.5 Ų | 96.5 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -77.6 | -36.8 | 177.9 | -169.9 | 65.2 | 0 | 0 | 0 | 111.1 | K1238 Q1239 A1240 R1245 M1246 | K1238-H1242 VanDerWaalsContact O-CB 3.28Å; K1238-H1242 WeakPolarHBondContact O-CB 3.18Å; K1238-H1242 PolarHBondContact O-N 2.97Å; Q1239-H1242 CarbonylContact O-C 3.53Å; Q1239-H1242 PolarHBondContact O-N 2.68Å; Q1239-H1242 VanDerWaalsContact O-N 3.1Å; A1240-H1242 VanDerWaalsContact C-N 3.32Å; H1242-R1245 CarbonylContact O-C 3.57Å; H1242-R1245 PolarHBondContact O-N 3.41Å; H1242-M1246 VanDerWaalsContact O-CB 3.23Å; H1242-M1246 WeakPolarHBondContact O-CB 3.26Å; H1242-M1246 VanDerWaalsContact O-CG 3.26Å; H1242-M1246 WeakPolarHBondContact O-CG 3.31Å; H1242-M1246 PolarHBondContact O-N 2.75Å |
| 1243 | Y | 79.6 | Confident | 75.2 | Confident | 157 Ų | 157 | 97.6 Ų | 97.6 | 62% | 0.616 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -66.9 | -45.6 | 168.9 | -87.3 | -70.4 | 0 | 0 | 0 | 111.2 | Q1239 R1245 M1246 E1247 | Q1239-Y1243 WeakPolarHBondContact O-CB 3.42Å; Q1239-Y1243 VanDerWaalsContact O-CD2 3.31Å; Q1239-Y1243 WeakPolarHBondContact O-CD2 3.27Å; Q1239-Y1243 PolarHBondContact O-N 3.19Å; Y1243-R1245 VanDerWaalsContact C-N 3.32Å; Y1243-R1245 PolarHBondContact O-N 3.26Å; Y1243-M1246 CarbonylContact O-C 3.51Å; Y1243-M1246 WeakPolarHBondContact O-CA 2.98Å; Y1243-M1246 WeakPolarHBondContact O-CB 3.32Å; Y1243-M1246 PolarHBondContact O-N 2.76Å; Y1243-M1246 VanDerWaalsContact O-N 3.11Å; Y1243-E1247 WeakPolarHBondContact O-CB 3.43Å; Y1243-E1247 WeakPolarHBondContact O-CG 3.42Å; Y1243-E1247 PolarHBondContact O-N 3.44Å |
| 1244 | L | 79.8 | Confident | 75.1 | Confident | 98 Ų | 98 | 95.7 Ų | 95.7 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -63.9 | -35.5 | 172.8 | -75.6 | 168.7 | 0 | 0 | 0 | 112.2 | A1240 E1247 V1248 | A1240-L1244 VanDerWaalsContact O-CB 3.25Å; A1240-L1244 WeakPolarHBondContact O-CB 3.08Å; A1240-L1244 VanDerWaalsContact O-CG 3.26Å; A1240-L1244 WeakPolarHBondContact O-CG 3.12Å; A1240-L1244 PolarHBondContact O-N 2.99Å; L1244-E1247 PolarHBondContact O-N 3.15Å; L1244-V1248 VanDerWaalsContact O-CB 3.29Å; L1244-V1248 WeakPolarHBondContact O-CB 3.42Å; L1244-V1248 VanDerWaalsContact O-CG2 3.24Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.28Å; L1244-V1248 PolarHBondContact O-N 2.78Å |
| 1245 | R | 80.1 | Confident | 74.1 | Confident | 176 Ų | 176 | 98 Ų | 98 | 66% | 0.664 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.9 | -37.6 | 170.7 | -77 | 166.6 | -173.5 | -117.1 | 1 | 111.7 | N1241 H1242 Y1243 E1249 | N1241-R1245 WeakPolarHBondContact O-CB 3.25Å; N1241-R1245 WeakPolarHBondContact O-CD 3.29Å; N1241-R1245 WeakPolarHBondContact O-CG 3Å; N1241-R1245 PolarHBondContact O-N 3.39Å; H1242-R1245 CarbonylContact O-C 3.57Å; H1242-R1245 PolarHBondContact O-N 3.41Å; Y1243-R1245 VanDerWaalsContact C-N 3.32Å; Y1243-R1245 PolarHBondContact O-N 3.26Å; R1245-E1249 WeakPolarHBondContact O-CA 3.48Å; R1245-E1249 WeakPolarHBondContact O-CB 3.46Å; R1245-E1249 PolarHBondContact O-N 3.46Å |
| 1246 | M | 80.6 | Confident | 72.8 | Confident | 63 Ų | 63 | 99.2 Ų | 99.2 | 31% | 0.31 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70 | -31.2 | 173.4 | -82.4 | -110.3 | 60.9 | 0 | 0 | 112.3 | H1242 Y1243 N1250 | H1242-M1246 VanDerWaalsContact O-CB 3.23Å; H1242-M1246 WeakPolarHBondContact O-CB 3.26Å; H1242-M1246 VanDerWaalsContact O-CG 3.26Å; H1242-M1246 WeakPolarHBondContact O-CG 3.31Å; H1242-M1246 PolarHBondContact O-N 2.75Å; Y1243-M1246 CarbonylContact O-C 3.51Å; Y1243-M1246 WeakPolarHBondContact O-CA 2.98Å; Y1243-M1246 WeakPolarHBondContact O-CB 3.32Å; Y1243-M1246 PolarHBondContact O-N 2.76Å; Y1243-M1246 VanDerWaalsContact O-N 3.11Å; M1246-N1250 WeakPolarHBondContact O-CA 3.3Å; M1246-N1250 WeakPolarHBondContact O-CB 3.06Å; M1246-N1250 PolarHBondContact O-N 2.68Å; M1246-N1250 PolarHBondContact O-ND2 2.88Å; M1246-N1250 VanDerWaalsContact O-ND2 3.14Å |
| 1247 | E | 77.8 | Confident | 71.2 | Confident | 124 Ų | 124 | 99.9 Ų | 99.9 | 58% | 0.579 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -78.4 | -38.9 | 175.2 | -77.1 | -174.9 | 141.6 | 0 | 0 | 111.1 | Y1243 L1244 N1250 A1251 | Y1243-E1247 WeakPolarHBondContact O-CB 3.43Å; Y1243-E1247 WeakPolarHBondContact O-CG 3.42Å; Y1243-E1247 PolarHBondContact O-N 3.44Å; L1244-E1247 PolarHBondContact O-N 3.15Å; E1247-N1250 CarbonylContact O-C 3.52Å; E1247-A1251 WeakPolarHBondContact O-CA 3.33Å; E1247-A1251 WeakPolarHBondContact O-CB 3.45Å; E1247-A1251 PolarHBondContact O-N 3.48Å |
| 1248 | V | 77 | Confident | 69.6 | Low | 92 Ų | 92 | 98.6 Ų | 98.6 | 56% | 0.558 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69.1 | -39.8 | 170.5 | 170.6 | 0 | 0 | 0 | 0 | 110.7 | L1244 A1251 C1252 | L1244-V1248 VanDerWaalsContact O-CB 3.29Å; L1244-V1248 WeakPolarHBondContact O-CB 3.42Å; L1244-V1248 VanDerWaalsContact O-CG2 3.24Å; L1244-V1248 WeakPolarHBondContact O-CG2 3.28Å; L1244-V1248 PolarHBondContact O-N 2.78Å; V1248-A1251 PolarHBondContact O-N 3.13Å; V1248-C1252 VanDerWaalsContact O-CB 3.29Å; V1248-C1252 WeakPolarHBondContact O-CB 3.14Å; V1248-C1252 PolarHBondContact O-N 2.63Å; V1248-C1252 PolarHBondContact O-SG 2.79Å |
| 1249 | E | 78.2 | Confident | 67.7 | Low | 96 Ų | 96 | 98.8 Ų | 98.8 | 45% | 0.449 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -71.1 | -35.3 | 175.3 | -168.5 | -177.3 | 160.2 | 0 | 0 | 111.3 | R1245 K1253 | R1245-E1249 WeakPolarHBondContact O-CA 3.48Å; R1245-E1249 WeakPolarHBondContact O-CB 3.46Å; R1245-E1249 PolarHBondContact O-N 3.46Å; E1249-K1253 HydrophobicContact CG-CD 4.25Å; E1249-K1253 WeakPolarHBondContact O-CB 3.49Å; E1249-K1253 WeakPolarHBondContact O-CD 3.46Å; E1249-K1253 WeakPolarHBondContact O-CG 2.99Å; E1249-K1253 PolarHBondContact O-N 2.72Å; E1249-K1253 WeakPolarHBondContact OE1-CE 3.27Å; E1249-K1253 IonicContact OE1-NZ 2.66Å; E1249-K1253 PolarHBondContact OE1-NZ 3.2Å |
| 1250 | N | 72.8 | Confident | 65.6 | Low | 76 Ų | 76 | 100 Ų | 100 | 41% | 0.406 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -73.8 | -29.2 | 171 | -73.1 | -20.8 | 0 | 0 | 0 | 112.1 | M1246 E1247 M1254 | M1246-N1250 WeakPolarHBondContact O-CA 3.3Å; M1246-N1250 WeakPolarHBondContact O-CB 3.06Å; M1246-N1250 PolarHBondContact O-N 2.68Å; M1246-N1250 PolarHBondContact O-ND2 2.88Å; M1246-N1250 VanDerWaalsContact O-ND2 3.14Å; E1247-N1250 CarbonylContact O-C 3.52Å; N1250-M1254 WeakPolarHBondContact O-CB 3.39Å; N1250-M1254 WeakPolarHBondContact O-CG 3.19Å; N1250-M1254 PolarHBondContact O-N 2.89Å |
| 1251 | A | 70 | Confident | 63.4 | Low | 46 Ų | 46 | 103.7 Ų | 103.7 | 38% | 0.38 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -72.7 | -42.9 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.8 | E1247 V1248 K1253 M1254 I1255 | E1247-A1251 WeakPolarHBondContact O-CA 3.33Å; E1247-A1251 WeakPolarHBondContact O-CB 3.45Å; E1247-A1251 PolarHBondContact O-N 3.48Å; V1248-A1251 PolarHBondContact O-N 3.13Å; A1251-K1253 VanDerWaalsContact C-N 3.34Å; A1251-M1254 PolarHBondContact O-N 3.43Å; A1251-I1255 WeakPolarHBondContact O-CB 3.28Å; A1251-I1255 VanDerWaalsContact O-CG1 3.23Å; A1251-I1255 WeakPolarHBondContact O-CG1 3.32Å; A1251-I1255 PolarHBondContact O-N 3.25Å |
| 1252 | C | 65.8 | Low | 61.2 | Low | 67 Ų | 67 | 108.9 Ų | 108.9 | 45% | 0.453 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -65.3 | -35.8 | 171.1 | -70.9 | 0 | 0 | 0 | 0 | 111.8 | V1248 N1256 | V1248-C1252 VanDerWaalsContact O-CB 3.29Å; V1248-C1252 WeakPolarHBondContact O-CB 3.14Å; V1248-C1252 PolarHBondContact O-N 2.63Å; V1248-C1252 PolarHBondContact O-SG 2.79Å; C1252-N1256 VanDerWaalsContact O-CB 3.25Å; C1252-N1256 WeakPolarHBondContact O-CB 3.31Å; C1252-N1256 VanDerWaalsContact O-CG 3.29Å; C1252-N1256 PolarHBondContact O-N 2.74Å |
| 1253 | K | 64 | Low | 58.8 | Low | 100 Ų | 100 | 110.9 Ų | 110.9 | 44% | 0.435 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -69.9 | -37.8 | 170.2 | -75.3 | 166.6 | -174.5 | 166.8 | 0 | 112.1 | E1249 A1251 N1256 S1257 | E1249-K1253 HydrophobicContact CG-CD 4.25Å; E1249-K1253 WeakPolarHBondContact O-CB 3.49Å; E1249-K1253 WeakPolarHBondContact O-CD 3.46Å; E1249-K1253 WeakPolarHBondContact O-CG 2.99Å; E1249-K1253 PolarHBondContact O-N 2.72Å; E1249-K1253 WeakPolarHBondContact OE1-CE 3.27Å; E1249-K1253 IonicContact OE1-NZ 2.66Å; E1249-K1253 PolarHBondContact OE1-NZ 3.2Å; A1251-K1253 VanDerWaalsContact C-N 3.34Å; K1253-N1256 CarbonylContact O-C 3.58Å; K1253-N1256 PolarHBondContact O-N 3.32Å; K1253-S1257 WeakPolarHBondContact O-CA 3.45Å; K1253-S1257 WeakPolarHBondContact O-CB 3.2Å; K1253-S1257 PolarHBondContact O-N 2.82Å; K1253-S1257 PolarHBondContact O-OG 3.36Å |
| 1254 | M | 62 | Low | 56.4 | Low | 133 Ų | 133 | 111.8 Ų | 111.8 | 66% | 0.655 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -66.5 | -37.4 | 173.9 | -78.8 | -88.5 | -176.8 | 0 | 0 | 111.8 | N1250 A1251 S1257 S1258 | N1250-M1254 WeakPolarHBondContact O-CB 3.39Å; N1250-M1254 WeakPolarHBondContact O-CG 3.19Å; N1250-M1254 PolarHBondContact O-N 2.89Å; A1251-M1254 PolarHBondContact O-N 3.43Å; M1254-S1257 WeakPolarHBondContact CA-OG 3.18Å; M1254-S1257 CarbonylContact O-C 3.39Å; M1254-S1257 PolarHBondContact O-N 3.49Å; M1254-S1257 PolarHBondContact O-OG 3.36Å; M1254-S1258 WeakPolarHBondContact O-CB 3.18Å; M1254-S1258 PolarHBondContact O-OG 3.41Å; M1254-S1258 PolarHBondContact O-N 3.02Å |
| 1255 | I | 54.8 | Low | 54.2 | Low | 105 Ų | 105 | 114.4 Ų | 114.4 | 54% | 0.538 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -68.8 | -48.4 | 173.9 | -71.5 | 165.2 | 0 | 0 | 0 | 109.1 | A1251 S1257 S1258 V1259 | A1251-I1255 WeakPolarHBondContact O-CB 3.28Å; A1251-I1255 VanDerWaalsContact O-CG1 3.23Å; A1251-I1255 WeakPolarHBondContact O-CG1 3.32Å; A1251-I1255 PolarHBondContact O-N 3.25Å; I1255-S1257 PolarHBondContact O-N 2.76Å; I1255-S1258 PolarHBondContact O-N 2.7Å; I1255-S1258 PolarHBondContact O-OG 2.81Å; I1255-V1259 WeakPolarHBondContact O-CG2 3.41Å; I1255-V1259 PolarHBondContact O-N 2.78Å |
| 1256 | N | 46.5 | Very low | 51.8 | Low | 112 Ų | 112 | 115 Ų | 115 | 60% | 0.599 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -69.6 | -16.6 | 175.5 | -70.9 | -15.3 | 0 | 0 | 0 | 113.9 | C1252 K1253 | C1252-N1256 VanDerWaalsContact O-CB 3.25Å; C1252-N1256 WeakPolarHBondContact O-CB 3.31Å; C1252-N1256 VanDerWaalsContact O-CG 3.29Å; C1252-N1256 PolarHBondContact O-N 2.74Å; K1253-N1256 CarbonylContact O-C 3.58Å; K1253-N1256 PolarHBondContact O-N 3.32Å |
| 1257 | S | 39.3 | Very low | 49.3 | Very low | 69 Ų | 69 | 118.6 Ų | 118.6 | 48% | 0.483 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -101.8 | -5.2 | 174.3 | 79.9 | 0 | 0 | 0 | 0 | 114.3 | K1253 M1254 I1255 | K1253-S1257 WeakPolarHBondContact O-CA 3.45Å; K1253-S1257 WeakPolarHBondContact O-CB 3.2Å; K1253-S1257 PolarHBondContact O-N 2.82Å; K1253-S1257 PolarHBondContact O-OG 3.36Å; M1254-S1257 WeakPolarHBondContact CA-OG 3.18Å; M1254-S1257 CarbonylContact O-C 3.39Å; M1254-S1257 PolarHBondContact O-N 3.49Å; M1254-S1257 PolarHBondContact O-OG 3.36Å; I1255-S1257 PolarHBondContact O-N 2.76Å |
| 1258 | S | 41.2 | Very low | 47.1 | Very low | 82 Ų | 82 | 120.9 Ų | 120.9 | 57% | 0.573 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -100.9 | -21.6 | 169.5 | 54.6 | 0 | 0 | 0 | 0 | 112.5 | M1254 I1255 L1260 | M1254-S1258 WeakPolarHBondContact O-CB 3.18Å; M1254-S1258 PolarHBondContact O-OG 3.41Å; M1254-S1258 PolarHBondContact O-N 3.02Å; I1255-S1258 PolarHBondContact O-N 2.7Å; I1255-S1258 PolarHBondContact O-OG 2.81Å; S1258-L1260 VanDerWaalsContact C-N 3.25Å |
| 1259 | V | 38.7 | Very low | 45.1 | Very low | 112 Ų | 112 | 125.9 Ų | 125.9 | 68% | 0.679 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -68.4 | -27.6 | 158.9 | 176.3 | 0 | 0 | 0 | 0 | 111 | I1255 N1261 | I1255-V1259 WeakPolarHBondContact O-CG2 3.41Å; I1255-V1259 PolarHBondContact O-N 2.78Å; V1259-N1261 VanDerWaalsContact C-N 3.27Å; V1259-N1261 PolarHBondContact O-N 3.44Å; V1259-N1261 VanDerWaalsContact O-N 3.12Å |
| 1260 | L | 32.2 | Very low | 42.7 | Very low | 144 Ų | 144 | 128.2 Ų | 128.2 | 75% | 0.754 | 66% | 0.662 | S | S | * | * | G | 310 helix | trans | -83 | 37.2 | 177.2 | -101 | 169.9 | 0 | 0 | 0 | 115.1 | S1258 | S1258-L1260 VanDerWaalsContact C-N 3.25Š|
| 1261 | N | 31 | Very low | 40.9 | Very low | 121 Ų | 121 | 129.7 Ų | 129.7 | 65% | 0.647 | 68% | 0.679 | S | S | * | * | G | 310 helix | trans | -149 | 27.1 | 166.5 | -138.5 | -11.3 | 0 | 0 | 0 | 114.8 | V1259 | V1259-N1261 VanDerWaalsContact C-N 3.27Å; V1259-N1261 PolarHBondContact O-N 3.44Å; V1259-N1261 VanDerWaalsContact O-N 3.12Å |
| 1262 | K | 32.6 | Very low | 38.8 | Very low | 192 Ų | 192 | 134.5 Ų | 134.5 | 84% | 0.835 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -131.1 | 53.2 | 166.9 | -79.9 | -167.1 | 175.6 | -177.2 | 0 | 111.9 | ||
| 1263 | N | 31.6 | Very low | 37.6 | Very low | 163 Ų | 163 | 137 Ų | 137 | 87% | 0.872 | 71% | 0.71 | S | S | * | * | trans | -151.4 | 89.5 | 154 | -94.6 | -10.9 | 0 | 0 | 0 | 107.1 | ||||
| 1264 | K | 29.3 | Very low | 35.9 | Very low | 176 Ų | 176 | 140.8 Ų | 140.8 | 77% | 0.765 | 73% | 0.727 | S | S | * | * | trans | -133 | 142.1 | 164.8 | -87.8 | -173.1 | 173.7 | -178.9 | 0 | 105.5 | ||||
| 1265 | I | 32.2 | Very low | 34.6 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | S | Bend | trans | 80 | 133.6 | -149 | -54.2 | 161.6 | 0 | 0 | 0 | 109.4 | ||
| 1266 | E | 30.6 | Very low | 33.5 | Very low | 187 Ų | 187 | 144.8 Ų | 144.8 | 87% | 0.874 | 75% | 0.749 | S | S | * | * | S | Bend | trans | 62 | 53.6 | 178.4 | -72.4 | 167.9 | -140.8 | 0 | 0 | 117.1 | ||
| 1267 | D | 28.5 | Very low | 32.7 | Very low | 139 Ų | 139 | 149.6 Ų | 149.6 | 74% | 0.743 | 76% | 0.76 | S | S | * | * | trans | -150.4 | 83 | 137.1 | -148 | -4.9 | 0 | 0 | 0 | 110.8 | ||||
| 1268 | E | 31.7 | Very low | 32.7 | Very low | 172 Ų | 172 | 151 Ų | 151 | 80% | 0.804 | 77% | 0.768 | S | S | * | * | trans | -136.6 | 144.5 | 166.8 | -167.3 | 167.8 | -127.8 | 0 | 0 | 107 | ||||
| 1269 | F | 34.6 | Very low | 32.3 | Very low | 198 Ų | 198 | 154 Ų | 154 | 87% | 0.868 | 78% | 0.777 | S | S | * | * | trans | 80.5 | 47.7 | -167.5 | -66.7 | -86.5 | 0 | 0 | 0 | 118.6 | ||||
| 1270 | L | 28.3 | Very low | 31.9 | Very low | 145 Ų | 145 | 154 Ų | 154 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | -95.7 | 112.8 | 143.7 | -86.5 | 171.4 | 0 | 0 | 0 | 111 | ||||
| 1271 | S | 34.6 | Very low | 32 | Very low | 107 Ų | 107 | 153.5 Ų | 153.5 | 75% | 0.748 | 78% | 0.78 | S | S | * | * | 152.9 | 109.8 | 127.6 | 57.5 | 0 | 0 | 0 | 0 | 117 | |||||
| 1272 | M | 26.4 | Very low | 31.8 | Very low | 146 Ų | 146 | 155.3 Ų | 155.3 | 72% | 0.719 | 79% | 0.785 | S | S | * | * | trans | 63.1 | 169.9 | 137.6 | -70.4 | -152.2 | 69.3 | 0 | 0 | 119.7 | K1274 | M1272-K1274 HydrophobicContact CE-CD 4.25Å; M1272-K1274 HydrophobicContact CE-CG 4.02Å | ||
| 1273 | P | 38.7 | Very low | 31.7 | Very low | 119 Ų | 119 | 154.3 Ų | 154.3 | 77% | 0.773 | 78% | 0.781 | S | S | * | * | cis | -126.1 | -173.9 | 6.4 | 42.9 | -26.8 | 0 | 0 | 0 | 117.1 | ||||
| 1274 | K | 30 | Very low | 31.5 | Very low | 180 Ų | 180 | 152.4 Ų | 152.4 | 78% | 0.783 | 77% | 0.77 | S | S | * | * | trans | -84.5 | 146.7 | -173.8 | -56.6 | 162.3 | -179.8 | 172.1 | 0 | 113.3 | M1272 | M1272-K1274 HydrophobicContact CE-CD 4.25Å; M1272-K1274 HydrophobicContact CE-CG 4.02Å | ||
| 1275 | V | 33.9 | Very low | 31.5 | Very low | 149 Ų | 149 | 151.1 Ų | 151.1 | 90% | 0.903 | 77% | 0.77 | S | S | * | * | trans | -131.4 | 169.5 | 156.5 | -175.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 1276 | K | 31.7 | Very low | 31.5 | Very low | 174 Ų | 174 | 149.7 Ų | 149.7 | 76% | 0.757 | 77% | 0.769 | S | S | * | * | trans | -130.9 | 132.8 | -154.4 | -85 | -174 | 175.4 | -178.4 | 0 | 115.2 | ||||
| 1277 | Y | 29.5 | Very low | 31.4 | Very low | 212 Ų | 212 | 147.1 Ų | 147.1 | 83% | 0.831 | 76% | 0.761 | S | S | * | * | trans | 58.9 | 178 | 140.6 | -76.6 | -74.4 | 0 | 0 | 0 | 118.5 | ||||
| 1278 | P | 40.2 | Very low | 31.6 | Very low | 99 Ų | 99 | 147.5 Ų | 147.5 | 64% | 0.643 | 76% | 0.758 | S | S | * | * | cis | -132.9 | 164.6 | -8.7 | 16.4 | 9.6 | 0 | 0 | 0 | 117.7 | ||||
| 1279 | N | 32.2 | Very low | 31.5 | Very low | 145 Ų | 145 | 146.8 Ų | 146.8 | 78% | 0.775 | 75% | 0.752 | S | S | * | * | trans | 71.6 | 151.3 | 137.7 | -72.1 | 10.5 | 0 | 0 | 0 | 120.8 | ||||
| 1280 | V | 31.3 | Very low | 31.4 | Very low | 112 Ų | 112 | 144.6 Ų | 144.6 | 68% | 0.679 | 74% | 0.744 | S | S | * | * | cis | -165 | 158.3 | -6.1 | 109.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1281 | T | 32.8 | Very low | 31.6 | Very low | 133 Ų | 133 | 145.9 Ų | 145.9 | 82% | 0.816 | 74% | 0.744 | S | S | * | * | trans | 73.8 | 158.2 | 159.6 | 42.9 | 0 | 0 | 0 | 0 | 124.9 | ||||
| 1282 | Q | 27.9 | Very low | 31.4 | Very low | 160 Ų | 160 | 147.1 Ų | 147.1 | 75% | 0.748 | 75% | 0.746 | S | S | * | * | trans | -109.2 | 162.7 | -167.7 | -74.9 | 168.7 | -105.1 | 0 | 0 | 113.9 | ||||
| 1283 | F | 29 | Very low | 31.5 | Very low | 171 Ų | 171 | 143.2 Ų | 143.2 | 75% | 0.75 | 74% | 0.744 | S | S | * | * | trans | 72.9 | 143.2 | 137.5 | -87.1 | -127.8 | 0 | 0 | 0 | 123.2 | ||||
| 1284 | D | 29.2 | Very low | 31.2 | Very low | 122 Ų | 122 | 145.9 Ų | 145.9 | 65% | 0.652 | 74% | 0.744 | S | S | * | * | trans | 75.9 | 111.6 | 144.7 | -69.1 | -2.6 | 0 | 0 | 0 | 126.5 | ||||
| 1285 | I | 29.2 | Very low | 31.4 | Very low | 149 Ų | 149 | 145.4 Ų | 145.4 | 76% | 0.764 | 74% | 0.742 | S | S | * | * | 48.4 | 138.8 | 126.7 | -33.8 | 174.7 | 0 | 0 | 0 | 121 | |||||
| 1286 | V | 30.6 | Very low | 31.2 | Very low | 124 Ų | 124 | 145 Ų | 145 | 75% | 0.752 | 74% | 0.735 | S | S | * | * | trans | 125.8 | 84.4 | 144.7 | -174 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1287 | N | 30.3 | Very low | 31.1 | Very low | 133 Ų | 133 | 145 Ų | 145 | 71% | 0.711 | 74% | 0.737 | S | S | * | * | 63.9 | 151.1 | 113.8 | -136.2 | -16.3 | 0 | 0 | 0 | 123.3 | |||||
| 1288 | H | 31.2 | Very low | 31.6 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 69% | 0.685 | 73% | 0.73 | S | S | * | * | trans | 74.7 | 153.1 | 162.6 | -68.9 | 13.4 | 0 | 0 | 0 | 119.2 | ||||
| 1289 | K | 30.5 | Very low | 31.2 | Very low | 157 Ų | 157 | 141.4 Ų | 141.4 | 68% | 0.683 | 73% | 0.733 | S | S | * | * | cis | -174.8 | 156.2 | -34.1 | -130.8 | 176.3 | -178.4 | 176.4 | 0 | 109.7 | ||||
| 1290 | H | 32.3 | Very low | 31.4 | Very low | 152 Ų | 152 | 142.5 Ų | 142.5 | 70% | 0.704 | 73% | 0.733 | S | S | * | * | trans | 71.6 | 158 | 162.6 | -67.6 | 0.5 | 0 | 0 | 0 | 117.5 | ||||
| 1291 | K | 31.4 | Very low | 31.3 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | cis | -159.4 | 135.6 | -4.5 | -124.7 | 179 | 178.1 | -174.2 | 0 | 113.5 | ||||
| 1292 | V | 30.3 | Very low | 31.3 | Very low | 132 Ų | 132 | 146.2 Ų | 146.2 | 80% | 0.8 | 74% | 0.736 | S | S | * | * | trans | 53.2 | 131.7 | 130.9 | 172.1 | 0 | 0 | 0 | 0 | 123.9 | ||||
| 1293 | G | 30.3 | Very low | 31.5 | Very low | 65 Ų | 65 | 146.1 Ų | 146.1 | 67% | 0.67 | 74% | 0.736 | S | S | * | * | trans | 129.5 | 143.7 | 150.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 1294 | F | 32.1 | Very low | 31.7 | Very low | 174 Ų | 174 | 147.1 Ų | 147.1 | 76% | 0.763 | 74% | 0.736 | S | S | * | * | cis | -164.9 | 143.2 | -6.7 | -127.7 | -93 | 0 | 0 | 0 | 108.3 | ||||
| 1295 | F | 32.6 | Very low | 31.8 | Very low | 171 Ų | 171 | 148.6 Ų | 148.6 | 75% | 0.75 | 74% | 0.739 | S | S | * | * | trans | 34.6 | 145 | 151.8 | -73.6 | -128.3 | 0 | 0 | 0 | 120.2 | ||||
| 1296 | N | 31.4 | Very low | 31.9 | Very low | 141 Ų | 141 | 147.4 Ų | 147.4 | 75% | 0.754 | 73% | 0.734 | S | S | * | * | cis | -165.6 | 169.4 | 24.4 | -137.8 | 13 | 0 | 0 | 0 | 112.4 | ||||
| 1297 | E | 27.9 | Very low | 31.9 | Very low | 173 Ų | 173 | 150 Ų | 150 | 81% | 0.808 | 74% | 0.738 | S | S | * | * | trans | -88.3 | -176.1 | 163.9 | -59.7 | -179.7 | 127 | 0 | 0 | 110.5 | ||||
| 1298 | P | 41 | Very low | 32.1 | Very low | 104 Ų | 104 | 148.6 Ų | 148.6 | 68% | 0.675 | 74% | 0.739 | S | S | * | * | cis | -143.5 | -178.8 | 5.8 | 45.1 | -25.7 | 0 | 0 | 0 | 118.5 | ||||
| 1299 | D | 32.6 | Very low | 32.3 | Very low | 132 Ų | 132 | 149.1 Ų | 149.1 | 71% | 0.706 | 75% | 0.746 | S | S | * | * | trans | 55.8 | 118 | 140.4 | -85.9 | -50.3 | 0 | 0 | 0 | 124.2 | ||||
| 1300 | H | 34.5 | Very low | 32.5 | Very low | 168 Ų | 168 | 146.8 Ų | 146.8 | 78% | 0.778 | 74% | 0.744 | S | S | * | * | 159.7 | 164.9 | 89.9 | -111.3 | 23.3 | 0 | 0 | 0 | 113.5 | |||||
| 1301 | H | 30.3 | Very low | 32.6 | Very low | 178 Ų | 178 | 148.4 Ų | 148.4 | 82% | 0.824 | 75% | 0.752 | S | S | * | * | trans | -72.3 | 165.3 | -176.5 | -60.3 | -92.5 | 0 | 0 | 0 | 113.4 | ||||
| 1302 | I | 33.7 | Very low | 32.6 | Very low | 144 Ų | 144 | 147.5 Ų | 147.5 | 74% | 0.738 | 75% | 0.751 | S | S | * | * | -165.3 | 137 | 63.6 | -84.2 | -178.1 | 0 | 0 | 0 | 112.9 | |||||
| 1303 | E | 30.5 | Very low | 32.6 | Very low | 159 Ų | 159 | 149.2 Ų | 149.2 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 45.5 | 126.1 | 146.2 | -62.1 | -170.5 | 113.1 | 0 | 0 | 126.5 | ||||
| 1304 | Y | 34.5 | Very low | 32.9 | Very low | 192 Ų | 192 | 151.9 Ų | 151.9 | 75% | 0.753 | 76% | 0.758 | S | S | * | * | trans | 62.9 | 108 | 131.8 | -77 | -78.6 | 0 | 0 | 0 | 124.7 | ||||
| 1305 | Q | 31.2 | Very low | 33 | Very low | 152 Ų | 152 | 152.8 Ų | 152.8 | 71% | 0.71 | 76% | 0.762 | S | S | * | * | 110.5 | 125.2 | 118.1 | -113 | 179.6 | -61.1 | 0 | 0 | 123.1 | |||||
| 1306 | D | 31 | Very low | 33.2 | Very low | 124 Ų | 124 | 149.9 Ų | 149.9 | 66% | 0.663 | 76% | 0.758 | S | S | * | * | trans | 82.8 | 129 | 146.5 | -70.2 | -24 | 0 | 0 | 0 | 125.4 | ||||
| 1307 | E | 30.6 | Very low | 33.8 | Very low | 179 Ų | 179 | 148.4 Ų | 148.4 | 84% | 0.836 | 75% | 0.754 | S | S | * | * | trans | 51.6 | 114.4 | 150.1 | -62.6 | -165.4 | 149.1 | 0 | 0 | 119.5 | ||||
| 1308 | S | 35.3 | Very low | 34.4 | Very low | 104 Ų | 104 | 150.8 Ų | 150.8 | 73% | 0.727 | 76% | 0.756 | S | S | * | * | 168.3 | 171.7 | 60.1 | 45 | 0 | 0 | 0 | 0 | 112.4 | |||||
| 1309 | L | 33.5 | Very low | 34.3 | Very low | 158 Ų | 158 | 151.9 Ų | 151.9 | 83% | 0.827 | 76% | 0.755 | S | S | * | * | trans | 15.7 | 142.8 | 146.1 | -78.2 | 84.2 | 0 | 0 | 0 | 120.5 | ||||
| 1310 | V | 35.9 | Very low | 34.7 | Very low | 108 Ų | 108 | 152.7 Ų | 152.7 | 66% | 0.655 | 76% | 0.755 | S | S | * | * | cis | -162.8 | 145.7 | -4.4 | 101.5 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1311 | E | 33.1 | Very low | 35.2 | Very low | 186 Ų | 186 | 153.8 Ų | 153.8 | 87% | 0.869 | 75% | 0.752 | S | S | * | * | trans | 176.9 | 145.5 | 135.2 | -102.3 | 178.2 | -177.5 | 0 | 0 | 107.9 | ||||
| 1312 | Q | 32.1 | Very low | 35.9 | Very low | 153 Ų | 153 | 147.8 Ų | 147.8 | 72% | 0.715 | 73% | 0.733 | S | S | * | * | cis | 177 | 164.4 | -36.4 | 172.7 | 160.7 | -35.5 | 0 | 0 | 103.9 | ||||
| 1313 | E | 30.8 | Very low | 36.3 | Very low | 169 Ų | 169 | 147.7 Ų | 147.7 | 79% | 0.79 | 73% | 0.73 | S | S | * | * | trans | 73.9 | 158.7 | -176.5 | -45.4 | -160.1 | 148.3 | 0 | 0 | 115.9 | K1315 | E1313-K1315 PolarHBondContact O-N 2.74Š| ||
| 1314 | S | 36.6 | Very low | 37.2 | Very low | 120 Ų | 120 | 143.1 Ų | 143.1 | 84% | 0.839 | 72% | 0.715 | S | S | * | * | S | Bend | trans | 70.4 | 3.3 | -178.3 | -53.6 | 0 | 0 | 0 | 0 | 119.7 | ||
| 1315 | K | 33.6 | Very low | 37.9 | Very low | 194 Ų | 194 | 139 Ų | 139 | 84% | 0.843 | 71% | 0.706 | S | S | * | * | trans | -110.5 | 28 | 173.3 | -124 | 179.5 | -173.8 | -179.6 | 0 | 115.8 | E1313 | E1313-K1315 PolarHBondContact O-N 2.74Š| ||
| 1316 | T | 37.3 | Very low | 38.6 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 67% | 0.669 | 70% | 0.699 | S | S | * | * | S | Bend | trans | -106.5 | 6.3 | -175.5 | 33.4 | 0 | 0 | 0 | 0 | 115.8 | ||
| 1317 | V | 43.7 | Very low | 39.3 | Very low | 110 Ų | 110 | 135.6 Ų | 135.6 | 67% | 0.667 | 70% | 0.695 | S | S | * | * | S | Bend | trans | -108.1 | -11.1 | -174.9 | -178.1 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1318 | W | 41.1 | Very low | 40.2 | Very low | 223 Ų | 223 | 134.1 Ų | 134.1 | 85% | 0.845 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -108.2 | -7.5 | -174.2 | -88.4 | 84.6 | 0 | 0 | 0 | 116 | ||
| 1319 | L | 38.8 | Very low | 40.8 | Very low | 127 Ų | 127 | 137 Ų | 137 | 67% | 0.665 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -95.4 | -39.2 | 175.2 | -85.7 | 161.4 | 0 | 0 | 0 | 113.1 | R1321 A1322 E1323 | L1319-R1321 PolarHBondContact O-N 3.38Å; L1319-A1322 WeakPolarHBondContact O-CB 3.37Å; L1319-A1322 PolarHBondContact O-N 3.46Å; L1319-E1323 PolarHBondContact O-N 3.29Å |
| 1320 | E | 40.7 | Very low | 41.4 | Very low | 149 Ų | 149 | 136 Ų | 136 | 70% | 0.696 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -57.6 | -25.9 | 174.4 | -62.5 | -172.1 | 140.6 | 0 | 0 | 112.8 | S1324 | E1320-S1324 WeakPolarHBondContact O-CB 3.46Å; E1320-S1324 PolarHBondContact O-N 3.35Å |
| 1321 | R | 44.9 | Very low | 41.9 | Very low | 191 Ų | 191 | 135.8 Ų | 135.8 | 72% | 0.721 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -80.1 | -16.9 | 177.6 | -155.1 | 168.4 | -173.2 | 122 | -1 | 113.9 | L1319 I1325 | L1319-R1321 PolarHBondContact O-N 3.38Å; R1321-I1325 WeakPolarHBondContact O-CD1 3.17Å; R1321-I1325 WeakPolarHBondContact O-CG1 3.39Å |
| 1322 | A | 44.3 | Very low | 42.6 | Very low | 52 Ų | 52 | 131.8 Ų | 131.8 | 43% | 0.43 | 66% | 0.656 | S | S | . | * | H | α-helix | trans | -82.2 | -46.2 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L1319 S1324 I1325 S1326 | L1319-A1322 WeakPolarHBondContact O-CB 3.37Å; L1319-A1322 PolarHBondContact O-N 3.46Å; A1322-S1324 VanDerWaalsContact C-N 3.32Å; A1322-S1324 PolarHBondContact O-N 2.83Å; A1322-I1325 PolarHBondContact O-N 2.71Å; A1322-S1326 PolarHBondContact O-N 3.01Å |
| 1323 | E | 42.5 | Very low | 43.1 | Very low | 142 Ų | 142 | 129.9 Ų | 129.9 | 66% | 0.664 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -66.5 | -33.7 | -179.1 | -64.1 | -174.7 | 131.2 | 0 | 0 | 112.2 | L1319 I1325 S1326 Q1327 | L1319-E1323 PolarHBondContact O-N 3.29Å; E1323-I1325 PolarHBondContact O-N 3.45Å; E1323-S1326 PolarHBondContact O-N 2.85Å; E1323-Q1327 PolarHBondContact O-N 2.76Å |
| 1324 | S | 48.7 | Very low | 43.7 | Very low | 63 Ų | 63 | 126.3 Ų | 126.3 | 44% | 0.441 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -62.8 | -19.7 | 172.6 | -162.4 | 0 | 0 | 0 | 0 | 114.3 | E1320 A1322 | E1320-S1324 WeakPolarHBondContact O-CB 3.46Å; E1320-S1324 PolarHBondContact O-N 3.35Å; A1322-S1324 VanDerWaalsContact C-N 3.32Å; A1322-S1324 PolarHBondContact O-N 2.83Å |
| 1325 | I | 50.8 | Low | 44.3 | Very low | 107 Ų | 107 | 127.5 Ų | 127.5 | 55% | 0.549 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -89.4 | -41.8 | 176.4 | -65.5 | 174 | 0 | 0 | 0 | 110.7 | R1321 A1322 E1323 Q1327 K1328 F1329 | R1321-I1325 WeakPolarHBondContact O-CD1 3.17Å; R1321-I1325 WeakPolarHBondContact O-CG1 3.39Å; A1322-I1325 PolarHBondContact O-N 2.71Å; E1323-I1325 PolarHBondContact O-N 3.45Å; I1325-Q1327 VanDerWaalsContact C-N 3.32Å; I1325-Q1327 PolarHBondContact O-N 2.83Å; I1325-K1328 PolarHBondContact O-N 2.7Å; I1325-F1329 PolarHBondContact O-N 3.37Å |
| 1326 | S | 45.7 | Very low | 44.6 | Very low | 82 Ų | 82 | 125.5 Ų | 125.5 | 57% | 0.573 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -58.9 | -41.7 | 172.9 | -69.4 | 0 | 0 | 0 | 0 | 112.5 | A1322 E1323 K1328 F1329 H1330 | A1322-S1326 PolarHBondContact O-N 3.01Å; E1323-S1326 PolarHBondContact O-N 2.85Å; S1326-K1328 VanDerWaalsContact C-N 3.31Å; S1326-K1328 PolarHBondContact O-N 2.97Å; S1326-F1329 VanDerWaalsContact O-N 3.14Å; S1326-F1329 PolarHBondContact O-N 2.75Å; S1326-H1330 PolarHBondContact O-N 3.48Å |
| 1327 | Q | 45.9 | Very low | 44.9 | Very low | 121 Ų | 121 | 123.6 Ų | 123.6 | 57% | 0.565 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -59.7 | -41.7 | 178.7 | -157.9 | 67.7 | 25.4 | 0 | 0 | 111.9 | E1323 I1325 F1329 H1330 D1331 | E1323-Q1327 PolarHBondContact O-N 2.76Å; I1325-Q1327 VanDerWaalsContact C-N 3.32Å; I1325-Q1327 PolarHBondContact O-N 2.83Å; Q1327-F1329 PolarHBondContact O-N 3.37Å; Q1327-F1329 VanDerWaalsContact C-N 3.3Å; Q1327-H1330 PolarHBondContact O-N 3.28Å; Q1327-H1330 VanDerWaalsContact O-N 3.14Å; Q1327-D1331 PolarHBondContact O-N 3.27Å; Q1327-D1331 VanDerWaalsContact O-N 3.14Å |
| 1328 | K | 49.3 | Very low | 44.9 | Very low | 149 Ų | 149 | 123.4 Ų | 123.4 | 65% | 0.648 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -70.9 | -21 | 178.6 | -73.5 | 178.5 | 176.9 | 174.8 | 0 | 114.1 | I1325 S1326 | I1325-K1328 PolarHBondContact O-N 2.7Å; S1326-K1328 VanDerWaalsContact C-N 3.31Å; S1326-K1328 PolarHBondContact O-N 2.97Å |
| 1329 | F | 48.1 | Very low | 45 | Very low | 165 Ų | 165 | 118.2 Ų | 118.2 | 72% | 0.724 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -79.4 | -27.9 | 169.6 | -102.1 | -87 | 0 | 0 | 0 | 113 | I1325 S1326 Q1327 | I1325-F1329 PolarHBondContact O-N 3.37Å; S1326-F1329 VanDerWaalsContact O-N 3.14Å; S1326-F1329 PolarHBondContact O-N 2.75Å; Q1327-F1329 PolarHBondContact O-N 3.37Å; Q1327-F1329 VanDerWaalsContact C-N 3.3Å |
| 1330 | H | 46 | Very low | 45.1 | Very low | 137 Ų | 137 | 118 Ų | 118 | 63% | 0.634 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -75.4 | -43.4 | 175.9 | -117.7 | 57.8 | 0 | 0 | 0 | 112.7 | S1326 Q1327 N1332 N1333 | S1326-H1330 PolarHBondContact O-N 3.48Å; Q1327-H1330 PolarHBondContact O-N 3.28Å; Q1327-H1330 VanDerWaalsContact O-N 3.14Å; H1330-N1332 VanDerWaalsContact C-N 3.3Å; H1330-N1332 PolarHBondContact O-N 2.74Å; H1330-N1333 PolarHBondContact O-N 2.65Å |
| 1331 | D | 46.2 | Very low | 45 | Very low | 102 Ų | 102 | 117 Ų | 117 | 55% | 0.545 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.3 | -29.7 | -178.5 | -69.1 | -30.1 | 0 | 0 | 0 | 113.1 | Q1327 | Q1327-D1331 PolarHBondContact O-N 3.27Å; Q1327-D1331 VanDerWaalsContact O-N 3.14Å |
| 1332 | N | 46.4 | Very low | 45 | Very low | 103 Ų | 103 | 112.8 Ų | 112.8 | 55% | 0.551 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -76 | -22.5 | 179.4 | -154.2 | 13.9 | 0 | 0 | 0 | 113.1 | H1330 Y1335 | H1330-N1332 VanDerWaalsContact C-N 3.3Å; H1330-N1332 PolarHBondContact O-N 2.74Å; N1332-Y1335 PolarHBondContact O-N 3.35Å |
| 1333 | N | 43.1 | Very low | 44.9 | Very low | 113 Ų | 113 | 115.9 Ų | 115.9 | 60% | 0.604 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -75.6 | -32.5 | 178.1 | -142.4 | 3.9 | 0 | 0 | 0 | 111.5 | H1330 Y1335 W1336 S1337 | H1330-N1333 PolarHBondContact O-N 2.65Å; N1333-Y1335 PolarHBondContact O-N 3.33Å; N1333-W1336 PolarHBondContact O-N 2.91Å; N1333-S1337 PolarHBondContact O-N 2.78Å |
| 1334 | N | 44.8 | Very low | 44.7 | Very low | 93 Ų | 93 | 116.2 Ų | 116.2 | 50% | 0.497 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -69 | -16.6 | 174.6 | -78.5 | -46.4 | 0 | 0 | 0 | 114 | N1338 | N1334-N1338 PolarHBondContact O-ND2 2.84Å |
| 1335 | Y | 47.3 | Very low | 44.3 | Very low | 146 Ų | 146 | 119.5 Ų | 119.5 | 57% | 0.573 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -73.5 | -31.3 | 175.8 | -170.1 | -102.8 | 0 | 0 | 0 | 112.8 | N1332 N1333 | N1332-Y1335 PolarHBondContact O-N 3.35Å; N1333-Y1335 PolarHBondContact O-N 3.33Å |
| 1336 | W | 41 | Very low | 43.7 | Very low | 151 Ų | 151 | 121.7 Ų | 121.7 | 57% | 0.572 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -89.3 | -37.4 | -177.6 | -73.6 | 97.1 | 0 | 0 | 0 | 113.4 | N1333 N1338 K1339 L1340 | N1333-W1336 PolarHBondContact O-N 2.91Å; W1336-N1338 VanDerWaalsContact C-N 3.35Å; W1336-N1338 PolarHBondContact O-N 3.02Å; W1336-K1339 PolarHBondContact O-N 3.44Å; W1336-L1340 PolarHBondContact O-N 3.34Å |
| 1337 | S | 44.5 | Very low | 43.2 | Very low | 70 Ų | 70 | 126.7 Ų | 126.7 | 49% | 0.49 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -58.1 | -43.9 | 173.9 | -60 | 0 | 0 | 0 | 0 | 112.5 | N1333 K1339 L1340 E1341 | N1333-S1337 PolarHBondContact O-N 2.78Å; S1337-K1339 VanDerWaalsContact O-N 3.11Å; S1337-K1339 PolarHBondContact O-N 3.38Å; S1337-L1340 PolarHBondContact O-N 2.73Å; S1337-E1341 PolarHBondContact O-N 3.25Å |
| 1338 | N | 43 | Very low | 42.5 | Very low | 105 Ų | 105 | 128.6 Ų | 128.6 | 56% | 0.561 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -65.8 | -12.1 | 177.5 | -82.5 | -69.7 | 0 | 0 | 0 | 114.5 | N1334 W1336 N1342 | N1334-N1338 PolarHBondContact O-ND2 2.84Å; W1336-N1338 VanDerWaalsContact C-N 3.35Å; W1336-N1338 PolarHBondContact O-N 3.02Å; N1338-N1342 PolarHBondContact O-ND2 3.49Å |
| 1339 | K | 42.6 | Very low | 41.6 | Very low | 115 Ų | 115 | 127.5 Ų | 127.5 | 50% | 0.5 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -98.3 | -24.2 | -179.8 | -153 | 168 | -173.4 | 174 | 0 | 113.2 | W1336 S1337 | W1336-K1339 PolarHBondContact O-N 3.44Å; S1337-K1339 VanDerWaalsContact O-N 3.11Å; S1337-K1339 PolarHBondContact O-N 3.38Å |
| 1340 | L | 40.3 | Very low | 41.1 | Very low | 123 Ų | 123 | 125 Ų | 125 | 64% | 0.644 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -79.8 | -39.8 | 172 | -85.8 | 149.9 | 0 | 0 | 0 | 112 | W1336 S1337 N1342 I1343 | W1336-L1340 PolarHBondContact O-N 3.34Å; S1337-L1340 PolarHBondContact O-N 2.73Å; L1340-N1342 PolarHBondContact O-N 3.36Å; L1340-I1343 PolarHBondContact O-N 3.22Å; L1340-I1343 VanDerWaalsContact O-N 3.12Å |
| 1341 | E | 40.4 | Very low | 40.5 | Very low | 127 Ų | 127 | 129.1 Ų | 129.1 | 59% | 0.593 | 65% | 0.649 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.8 | 2.8 | -178.9 | -142.8 | -155 | 122.1 | 0 | 0 | 114.9 | S1337 K1345 | S1337-E1341 PolarHBondContact O-N 3.25Å; E1341-K1345 WeakPolarHBondContact O-CE 3.39Å; E1341-K1345 PolarHBondContact OE1-NZ 3.48Å; E1341-K1345 IonicContact OE1-NZ 2.66Å; E1341-K1345 PolarHBondContact O-NZ 3.33Å; E1341-K1345 WeakPolarHBondContact O-CD 3.42Å |
| 1342 | N | 43.4 | Very low | 39.9 | Very low | 103 Ų | 103 | 130.6 Ų | 130.6 | 55% | 0.551 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -107.2 | -3.5 | 175 | -87.6 | -56.6 | 0 | 0 | 0 | 114.1 | N1338 L1340 | N1338-N1342 PolarHBondContact O-ND2 3.49Å; L1340-N1342 PolarHBondContact O-N 3.36Å |
| 1343 | I | 41.9 | Very low | 39.3 | Very low | 116 Ų | 116 | 132.1 Ų | 132.1 | 60% | 0.595 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.8 | -38.8 | -178.9 | -66.7 | 177.1 | 0 | 0 | 0 | 111.6 | L1340 K1345 L1346 | L1340-I1343 PolarHBondContact O-N 3.22Å; L1340-I1343 VanDerWaalsContact O-N 3.12Å; I1343-K1345 PolarHBondContact O-N 2.86Å; I1343-L1346 PolarHBondContact O-N 2.87Å |
| 1344 | D | 39.7 | Very low | 38.9 | Very low | 150 Ų | 150 | 133.1 Ų | 133.1 | 80% | 0.802 | 68% | 0.68 | S | S | * | * | G | 310 helix | trans | -70.7 | -12.6 | 176.2 | -76.8 | -34.1 | 0 | 0 | 0 | 114.1 | L1346 | D1344-L1346 VanDerWaalsContact C-N 3.3Å; D1344-L1346 PolarHBondContact O-N 2.88Å |
| 1345 | K | 39.1 | Very low | 38.2 | Very low | 132 Ų | 132 | 137.2 Ų | 137.2 | 57% | 0.574 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -84.6 | 4.2 | 178.2 | -66.6 | 178.6 | -176.9 | 128.1 | 0 | 114.1 | E1341 I1343 | E1341-K1345 WeakPolarHBondContact O-CE 3.39Å; E1341-K1345 PolarHBondContact OE1-NZ 3.48Å; E1341-K1345 IonicContact OE1-NZ 2.66Å; E1341-K1345 PolarHBondContact O-NZ 3.33Å; E1341-K1345 WeakPolarHBondContact O-CD 3.42Å; I1343-K1345 PolarHBondContact O-N 2.86Å |
| 1346 | L | 38.4 | Very low | 37.5 | Very low | 152 Ų | 152 | 135.5 Ų | 135.5 | 80% | 0.796 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -121.3 | 8.8 | -174.4 | -88.5 | 167.2 | 0 | 0 | 0 | 115.9 | I1343 D1344 | I1343-L1346 PolarHBondContact O-N 2.87Å; D1344-L1346 VanDerWaalsContact C-N 3.3Å; D1344-L1346 PolarHBondContact O-N 2.88Å |
| 1347 | K | 35.1 | Very low | 37.2 | Very low | 187 Ų | 187 | 134.7 Ų | 134.7 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | S | Bend | trans | -117.7 | 8.5 | -176.4 | -94.8 | -175.6 | 176.7 | 178.6 | 0 | 117.5 | ||
| 1348 | N | 32.2 | Very low | 36.4 | Very low | 162 Ų | 162 | 133.8 Ų | 133.8 | 87% | 0.866 | 72% | 0.719 | S | S | * | * | trans | -140.2 | 77.7 | 171.2 | -90.1 | -50.6 | 0 | 0 | 0 | 112.2 | ||||
| 1349 | S | 30.3 | Very low | 35.8 | Very low | 126 Ų | 126 | 136.5 Ų | 136.5 | 88% | 0.881 | 73% | 0.728 | S | S | * | * | trans | -148.6 | 73.7 | 165.6 | -163.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1350 | S | 36.3 | Very low | 35 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 78% | 0.783 | 74% | 0.74 | S | S | * | * | trans | -87.9 | 125.5 | -178.3 | -67.4 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1351 | R | 34.5 | Very low | 34.5 | Very low | 224 Ų | 224 | 137.4 Ų | 137.4 | 85% | 0.845 | 75% | 0.747 | S | S | * | * | trans | 62.2 | 132.8 | 152.6 | -86.1 | -175.9 | -179.5 | 142.5 | 3.9 | 120.2 | ||||
| 1352 | D | 34 | Very low | 34.1 | Very low | 132 Ų | 132 | 139.7 Ų | 139.7 | 71% | 0.706 | 76% | 0.757 | S | S | * | * | trans | 71.3 | 83.3 | 137.6 | -49.7 | -17.9 | 0 | 0 | 0 | 118.1 | ||||
| 1353 | T | 33 | Very low | 33.4 | Very low | 136 Ų | 136 | 139.5 Ų | 139.5 | 83% | 0.834 | 76% | 0.76 | S | S | * | * | trans | -24.2 | 128.8 | 140.4 | 37.1 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1354 | V | 34.7 | Very low | 32.8 | Very low | 133 Ų | 133 | 140.8 Ų | 140.8 | 81% | 0.806 | 77% | 0.767 | S | S | * | * | -159.6 | 153 | 98.7 | 143.4 | 0 | 0 | 0 | 0 | 110.8 | |||||
| 1355 | Q | 30.6 | Very low | 32.2 | Very low | 180 Ų | 180 | 144.5 Ų | 144.5 | 84% | 0.841 | 77% | 0.769 | S | S | * | * | trans | -62.7 | 145.7 | -174.7 | -54.4 | 138.8 | -33.3 | 0 | 0 | 113.9 | ||||
| 1356 | S | 32.1 | Very low | 31.6 | Very low | 109 Ų | 109 | 143.7 Ų | 143.7 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | -166.3 | 142.2 | 126.1 | -165.4 | 0 | 0 | 0 | 0 | 111.6 | |||||
| 1357 | V | 35.4 | Very low | 31.2 | Very low | 134 Ų | 134 | 143 Ų | 143 | 81% | 0.812 | 77% | 0.773 | S | S | * | * | trans | 16.2 | 122.7 | 156.8 | -177 | 0 | 0 | 0 | 0 | 117 | ||||
| 1358 | G | 28.1 | Very low | 31.3 | Very low | 52 Ų | 52 | 140 Ų | 140 | 54% | 0.536 | 77% | 0.77 | S | S | . | * | cis | 111.4 | 95.2 | 33 | 0 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1359 | H | 30.6 | Very low | 31.6 | Very low | 161 Ų | 161 | 139.4 Ų | 139.4 | 75% | 0.745 | 77% | 0.767 | S | S | * | * | 89 | 112.3 | 111.9 | -81 | 34.4 | 0 | 0 | 0 | 114.5 | |||||
| 1360 | Q | 25.5 | Very low | 32 | Very low | 162 Ų | 162 | 139.2 Ų | 139.2 | 76% | 0.757 | 76% | 0.761 | S | S | * | * | 89.1 | 110.3 | 80.4 | -81.2 | -177.7 | 3.2 | 0 | 0 | 113.1 | |||||
| 1361 | A | 30.2 | Very low | 31.7 | Very low | 95 Ų | 95 | 140.8 Ų | 140.8 | 79% | 0.785 | 76% | 0.76 | S | S | * | * | trans | 175.6 | 147.9 | 156.9 | 0 | 0 | 0 | 0 | 0 | 109 | ||||
| 1362 | H | 31.4 | Very low | 31.7 | Very low | 175 Ų | 175 | 140.2 Ų | 140.2 | 81% | 0.81 | 76% | 0.758 | S | S | * | * | cis | -166.7 | 136.9 | -25 | -122.5 | 20.2 | 0 | 0 | 0 | 109.2 | ||||
| 1363 | T | 27.3 | Very low | 31.4 | Very low | 100 Ų | 100 | 143.5 Ų | 143.5 | 61% | 0.613 | 77% | 0.766 | S | S | * | * | 71.1 | 95.9 | 128.1 | -51.7 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1364 | I | 29.5 | Very low | 31.2 | Very low | 142 Ų | 142 | 143.4 Ų | 143.4 | 73% | 0.728 | 77% | 0.765 | S | S | * | * | 87.9 | 141 | 124.7 | -68.6 | -177.8 | 0 | 0 | 0 | 124 | |||||
| 1365 | R | 27.5 | Very low | 30.7 | Very low | 228 Ų | 228 | 146.8 Ų | 146.8 | 86% | 0.86 | 77% | 0.769 | S | S | * | * | trans | 74.8 | 149.4 | 161.9 | -83.1 | 166.2 | -177.7 | -175.6 | -0.2 | 118.8 | ||||
| 1366 | T | 27.3 | Very low | 31.3 | Very low | 115 Ų | 115 | 143 Ų | 143 | 71% | 0.706 | 76% | 0.76 | S | S | * | * | cis | -160.1 | 156.2 | -2.4 | 4.7 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 1367 | N | 29.9 | Very low | 31.1 | Very low | 137 Ų | 137 | 143.6 Ų | 143.6 | 73% | 0.733 | 76% | 0.759 | S | S | * | * | trans | 45 | 113.9 | 149.3 | -70.4 | 19.8 | 0 | 0 | 0 | 125.5 | ||||
| 1368 | T | 36.4 | Very low | 30.9 | Very low | 124 Ų | 124 | 147.1 Ų | 147.1 | 76% | 0.761 | 76% | 0.758 | S | S | * | * | 53.9 | 113.6 | 126.9 | 63.6 | 0 | 0 | 0 | 0 | 125.5 | |||||
| 1369 | N | 38.9 | Very low | 31.1 | Very low | 150 Ų | 150 | 151 Ų | 151 | 80% | 0.802 | 77% | 0.766 | S | S | * | * | 66.8 | 137.3 | 129.2 | -97 | 6.9 | 0 | 0 | 0 | 126.7 | |||||
| 1370 | T | 38.8 | Very low | 31.4 | Very low | 123 Ų | 123 | 148 Ų | 148 | 76% | 0.755 | 76% | 0.763 | S | S | * | * | trans | 69 | 120 | 148.4 | 48.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 1371 | D | 30.5 | Very low | 31.6 | Very low | 144 Ų | 144 | 146.5 Ų | 146.5 | 77% | 0.77 | 76% | 0.76 | S | S | * | * | trans | 70.5 | 153.7 | 143.2 | -150.6 | 12.3 | 0 | 0 | 0 | 121.1 | ||||
| 1372 | R | 33.7 | Very low | 31.8 | Very low | 212 Ų | 212 | 147.1 Ų | 147.1 | 80% | 0.8 | 76% | 0.759 | S | S | * | * | trans | 57.8 | 110.7 | 170.2 | -62.8 | -175.7 | -176.8 | -176 | -1 | 120 | ||||
| 1373 | K | 29.2 | Very low | 31.9 | Very low | 201 Ų | 201 | 145.4 Ų | 145.4 | 87% | 0.874 | 76% | 0.756 | S | S | * | * | -4.4 | 124.2 | 119.9 | -71 | 172.7 | 172.6 | 171.1 | 0 | 115.9 | |||||
| 1374 | V | 27.1 | Very low | 32.2 | Very low | 135 Ų | 135 | 147.2 Ų | 147.2 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | -172.5 | 106.3 | 121.2 | 139.9 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 1375 | K | 25.7 | Very low | 32.3 | Very low | 204 Ų | 204 | 144 Ų | 144 | 89% | 0.887 | 77% | 0.769 | S | S | * | * | trans | 58 | 175.6 | 140.2 | -90.1 | -171.2 | 172.1 | 178.4 | 0 | 119.7 | ||||
| 1376 | P | 42.2 | Very low | 32.5 | Very low | 100 Ų | 100 | 139.1 Ų | 139.1 | 65% | 0.649 | 76% | 0.764 | S | S | * | * | trans | -131.7 | -149.9 | -146.3 | 45.1 | -27.8 | 0 | 0 | 0 | 113.7 | ||||
| 1377 | T | 27.8 | Very low | 32.6 | Very low | 121 Ų | 121 | 139.6 Ų | 139.6 | 74% | 0.742 | 76% | 0.762 | S | S | * | * | trans | 74.5 | 153.4 | 161.1 | 39.5 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1378 | R | 31.3 | Very low | 32.7 | Very low | 208 Ų | 208 | 142.1 Ų | 142.1 | 79% | 0.785 | 76% | 0.763 | S | S | * | * | cis | -162 | 160.3 | 14.9 | -136.4 | -179.9 | -179.5 | 175.3 | -2.1 | 111.9 | ||||
| 1379 | L | 33.6 | Very low | 32.5 | Very low | 133 Ų | 133 | 142.8 Ų | 142.8 | 70% | 0.696 | 76% | 0.762 | S | S | * | * | trans | 67.3 | 152.9 | 155.8 | -59.5 | 173 | 0 | 0 | 0 | 117.9 | D1381 | L1379-D1381 WeakPolarHBondContact CD2-OD2 3.49Š| ||
| 1380 | S | 35.2 | Very low | 32.3 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 76% | 0.761 | S | S | * | * | cis | -138.9 | 119.1 | -0.6 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 1381 | D | 30.7 | Very low | 32.1 | Very low | 130 Ų | 130 | 138.9 Ų | 138.9 | 70% | 0.695 | 76% | 0.763 | S | S | * | * | 38.8 | 125.6 | 122.2 | -45.3 | -52.3 | 0 | 0 | 0 | 120.8 | L1379 | L1379-D1381 WeakPolarHBondContact CD2-OD2 3.49Š| |||
| 1382 | S | 34.6 | Very low | 32.3 | Very low | 107 Ų | 107 | 143.8 Ų | 143.8 | 75% | 0.748 | 77% | 0.771 | S | S | * | * | -179.5 | 148.3 | 89.7 | 46 | 0 | 0 | 0 | 0 | 116.5 | |||||
| 1383 | N | 32.4 | Very low | 32.5 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 76% | 0.762 | S | S | * | * | trans | 73 | 108.8 | 144.7 | -72 | -4.8 | 0 | 0 | 0 | 125.4 | ||||
| 1384 | T | 34.8 | Very low | 32.9 | Very low | 139 Ų | 139 | 136.8 Ų | 136.8 | 85% | 0.853 | 76% | 0.757 | S | S | * | * | 78 | 137.7 | 124 | 60.3 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 1385 | G | 30.8 | Very low | 33.3 | Very low | 74 Ų | 74 | 136.7 Ų | 136.7 | 76% | 0.763 | 75% | 0.752 | S | S | * | * | trans | 158.6 | 108.7 | 159.7 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 1386 | V | 32.7 | Very low | 33.9 | Very low | 126 Ų | 126 | 132 Ų | 132 | 76% | 0.764 | 74% | 0.741 | S | S | * | * | trans | -146.3 | 134 | -179.4 | 169 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1387 | N | 28.9 | Very low | 33.5 | Very low | 125 Ų | 125 | 135.5 Ų | 135.5 | 67% | 0.668 | 75% | 0.745 | S | S | * | * | trans | 58.4 | 146.1 | 171.6 | -60.9 | -20.1 | 0 | 0 | 0 | 116.2 | ||||
| 1388 | Y | 32 | Very low | 33.8 | Very low | 190 Ų | 190 | 135.8 Ų | 135.8 | 75% | 0.745 | 74% | 0.742 | S | S | * | * | -179.8 | 154.3 | 55.5 | -112.3 | -64.9 | 0 | 0 | 0 | 110.1 | |||||
| 1389 | N | 31.8 | Very low | 33.7 | Very low | 138 Ų | 138 | 133.9 Ų | 133.9 | 74% | 0.738 | 74% | 0.742 | S | S | * | * | trans | 62 | 156.2 | 149.5 | -68.3 | -25 | 0 | 0 | 0 | 119.9 | ||||
| 1390 | S | 34.8 | Very low | 34.3 | Very low | 113 Ų | 113 | 132.2 Ų | 132.2 | 79% | 0.79 | 74% | 0.739 | S | S | * | * | cis | -166.1 | 141.1 | -24.6 | 53 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1391 | G | 34.4 | Very low | 34.3 | Very low | 78 Ų | 78 | 133 Ų | 133 | 80% | 0.804 | 74% | 0.739 | S | S | * | * | trans | -153.4 | 113.5 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1392 | R | 34.3 | Very low | 34.4 | Very low | 246 Ų | 246 | 132.6 Ų | 132.6 | 93% | 0.928 | 74% | 0.738 | S | S | * | * | trans | -73.3 | 165.5 | -171.5 | -70.7 | 177.6 | 170.6 | 174 | -3.5 | 113.7 | ||||
| 1393 | S | 38.7 | Very low | 34.5 | Very low | 87 Ų | 87 | 138 Ų | 138 | 61% | 0.608 | 74% | 0.743 | S | S | * | * | cis | 160.3 | 167.9 | -47.1 | 60.2 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1394 | K | 36.6 | Very low | 34.8 | Very low | 179 Ų | 179 | 139.7 Ų | 139.7 | 78% | 0.778 | 75% | 0.746 | S | S | * | * | trans | 83.1 | 146.8 | 166.9 | -49 | -154.7 | 170.1 | -170.4 | 0 | 116.5 | ||||
| 1395 | L | 36.2 | Very low | 34.8 | Very low | 133 Ų | 133 | 138.1 Ų | 138.1 | 70% | 0.696 | 74% | 0.736 | S | S | * | * | cis | -172.9 | 165.9 | -26.8 | -107.5 | 148 | 0 | 0 | 0 | 104.6 | ||||
| 1396 | T | 37.7 | Very low | 34.9 | Very low | 107 Ų | 107 | 143.3 Ų | 143.3 | 66% | 0.656 | 74% | 0.738 | S | S | * | * | cis | -166.3 | 140.2 | 43.8 | 32.3 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1397 | K | 34.7 | Very low | 34.9 | Very low | 172 Ų | 172 | 143.1 Ų | 143.1 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | 61 | 154 | 130.7 | -59 | -179.6 | 165.4 | -167.2 | 0 | 121.3 | ||||
| 1398 | L | 33.2 | Very low | 35 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 67% | 0.67 | 75% | 0.746 | S | S | * | * | cis | -161.6 | 145.2 | -16.8 | -106.4 | 166.7 | 0 | 0 | 0 | 110.9 | ||||
| 1399 | E | 29.8 | Very low | 34.9 | Very low | 167 Ų | 167 | 137.9 Ų | 137.9 | 78% | 0.78 | 74% | 0.744 | S | S | * | * | trans | -16.5 | 179.5 | 139.1 | -77.3 | 173.1 | -178.2 | 0 | 0 | 121.5 | ||||
| 1400 | P | 45.4 | Very low | 35 | Very low | 98 Ų | 98 | 138.7 Ų | 138.7 | 64% | 0.636 | 74% | 0.741 | S | S | * | * | cis | -139.9 | -179 | -18.9 | 26.6 | -3 | 0 | 0 | 0 | 115.7 | ||||
| 1401 | T | 35.8 | Very low | 34.8 | Very low | 116 Ų | 116 | 141.8 Ų | 141.8 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | 147 | 120.2 | 123.7 | 48.6 | 0 | 0 | 0 | 0 | 117 | |||||
| 1402 | D | 33.6 | Very low | 34.9 | Very low | 123 Ų | 123 | 144 Ų | 144 | 66% | 0.658 | 74% | 0.738 | S | S | * | * | trans | 32.6 | 128.5 | 133.1 | -42.2 | -27.4 | 0 | 0 | 0 | 122.8 | ||||
| 1403 | Y | 36.7 | Very low | 34.7 | Very low | 220 Ų | 220 | 140.8 Ų | 140.8 | 86% | 0.863 | 73% | 0.731 | S | S | * | * | -170.3 | -171.5 | 84.8 | -108.2 | -73.8 | 0 | 0 | 0 | 112.5 | |||||
| 1404 | H | 37.5 | Very low | 34.4 | Very low | 174 Ų | 174 | 142.9 Ų | 142.9 | 81% | 0.806 | 73% | 0.734 | S | S | * | * | trans | -144.4 | 160.8 | -145.8 | -136.3 | 21.6 | 0 | 0 | 0 | 115.2 | ||||
| 1405 | V | 34.7 | Very low | 34.2 | Very low | 107 Ų | 107 | 140 Ų | 140 | 65% | 0.648 | 73% | 0.731 | S | S | * | * | trans | 86.8 | 98.9 | 150.2 | 173.4 | 0 | 0 | 0 | 0 | 122 | ||||
| 1406 | K | 33.3 | Very low | 33.8 | Very low | 183 Ų | 183 | 138.7 Ų | 138.7 | 80% | 0.796 | 73% | 0.733 | S | S | * | * | 65.5 | 134.3 | 123.2 | -59.1 | -176.4 | -179.4 | 177.2 | 0 | 125.8 | |||||
| 1407 | S | 32.3 | Very low | 33.5 | Very low | 121 Ų | 121 | 141.8 Ų | 141.8 | 85% | 0.846 | 74% | 0.742 | S | S | * | * | trans | 70 | 127 | 132.2 | 62.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 1408 | G | 31.8 | Very low | 33.5 | Very low | 73 Ų | 73 | 138.4 Ų | 138.4 | 75% | 0.753 | 74% | 0.74 | S | S | * | * | trans | 169.1 | 62.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 118 | ||||
| 1409 | D | 29 | Very low | 33.7 | Very low | 133 Ų | 133 | 141.6 Ų | 141.6 | 71% | 0.711 | 75% | 0.749 | S | S | * | * | trans | 47.3 | 137.3 | 142.7 | -107.6 | 17.1 | 0 | 0 | 0 | 125.1 | ||||
| 1410 | K | 35.5 | Very low | 33.7 | Very low | 155 Ų | 155 | 141.2 Ų | 141.2 | 67% | 0.674 | 75% | 0.75 | S | S | * | * | trans | 86 | 109.4 | 139.1 | -71.4 | -175.4 | 173.4 | 95.4 | 0 | 124.1 | ||||
| 1411 | F | 30.6 | Very low | 33.1 | Very low | 178 Ų | 178 | 143.4 Ų | 143.4 | 78% | 0.781 | 76% | 0.757 | S | S | * | * | 87.3 | 156.4 | 124.4 | -89.3 | -68.7 | 0 | 0 | 0 | 124 | |||||
| 1412 | V | 35 | Very low | 33.1 | Very low | 123 Ų | 123 | 143.6 Ų | 143.6 | 75% | 0.745 | 76% | 0.76 | S | S | * | * | trans | 74.9 | 102 | 172.1 | -162.7 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1413 | K | 31.5 | Very low | 33.5 | Very low | 179 Ų | 179 | 144.4 Ų | 144.4 | 78% | 0.778 | 77% | 0.769 | S | S | * | * | cis | 68.6 | 152.7 | 44.4 | -139.1 | -171.1 | -178 | -176.6 | 0 | 110 | ||||
| 1414 | I | 31.3 | Very low | 33.8 | Very low | 132 Ų | 132 | 138.8 Ų | 138.8 | 68% | 0.677 | 76% | 0.76 | S | S | * | * | cis | -136.7 | -173.8 | 7 | -12.1 | 173.9 | 0 | 0 | 0 | 105.7 | ||||
| 1415 | T | 31.6 | Very low | 33.8 | Very low | 117 Ų | 117 | 137.8 Ų | 137.8 | 72% | 0.718 | 76% | 0.759 | S | S | * | * | cis | -145.9 | 133.4 | 15 | -47.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1416 | S | 29.8 | Very low | 33.8 | Very low | 106 Ų | 106 | 140.9 Ų | 140.9 | 74% | 0.741 | 76% | 0.763 | S | S | * | * | -123.2 | 168.5 | 129.1 | 66.7 | 0 | 0 | 0 | 0 | 107.4 | |||||
| 1417 | M | 29.7 | Very low | 33.9 | Very low | 172 Ų | 172 | 139 Ų | 139 | 85% | 0.847 | 76% | 0.757 | S | S | * | * | trans | 83.7 | 89.4 | -171.3 | -56 | -155.9 | 157.9 | 0 | 0 | 117.6 | ||||
| 1418 | S | 35.1 | Very low | 34.1 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | -49.8 | 153.8 | 127.8 | 42.7 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 1419 | K | 36.7 | Very low | 34.2 | Very low | 196 Ų | 196 | 140.7 Ų | 140.7 | 85% | 0.852 | 75% | 0.745 | S | S | * | * | cis | -163.7 | 140 | 1.7 | -110.1 | 162.8 | -176.4 | 178.7 | 0 | 107.2 | ||||
| 1420 | I | 31.3 | Very low | 34.5 | Very low | 158 Ų | 158 | 140.2 Ų | 140.2 | 81% | 0.81 | 75% | 0.747 | S | S | * | * | S | Bend | trans | -139.9 | 122.8 | 143.1 | -65.6 | -171.5 | 0 | 0 | 0 | 108.1 | ||
| 1421 | N | 33.2 | Very low | 34.5 | Very low | 145 Ų | 145 | 142 Ų | 142 | 78% | 0.775 | 75% | 0.751 | S | S | * | * | trans | 48 | 144.1 | 164.1 | -63.4 | 1.3 | 0 | 0 | 0 | 122.7 | ||||
| 1422 | P | 35.4 | Very low | 34.8 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 78% | 0.779 | 75% | 0.751 | S | S | * | * | trans | -90.8 | 172.7 | 176.8 | 38.8 | -36.9 | 0 | 0 | 0 | 113.4 | ||||
| 1423 | V | 42 | Very low | 34.8 | Very low | 140 Ų | 140 | 142.3 Ų | 142.3 | 85% | 0.848 | 75% | 0.749 | S | S | * | * | trans | -132.2 | 131.4 | 174.2 | 178 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1424 | P | 43.1 | Very low | 35 | Very low | 102 Ų | 102 | 138.9 Ų | 138.9 | 66% | 0.662 | 75% | 0.748 | S | S | * | * | trans | -116.4 | 156.3 | 158.9 | 36.1 | -24.9 | 0 | 0 | 0 | 111.6 | ||||
| 1425 | I | 36.1 | Very low | 35.1 | Very low | 152 Ų | 152 | 143.3 Ų | 143.3 | 78% | 0.779 | 76% | 0.756 | S | S | * | * | cis | -164.4 | 161.4 | -9.8 | -116.6 | 163.4 | 0 | 0 | 0 | 108 | ||||
| 1426 | K | 35.4 | Very low | 35.3 | Very low | 173 Ų | 173 | 144.8 Ų | 144.8 | 75% | 0.752 | 76% | 0.758 | S | S | * | * | trans | 103.8 | 140.5 | 177.2 | -67.5 | 168.5 | 178.1 | 177.6 | 0 | 114.8 | ||||
| 1427 | H | 35.7 | Very low | 35.7 | Very low | 144 Ų | 144 | 152.9 Ų | 152.9 | 67% | 0.667 | 78% | 0.78 | S | S | * | * | cis | -148.6 | 146.7 | 1.1 | -108.8 | -56.4 | 0 | 0 | 0 | 111.8 | ||||
| 1428 | I | 36.4 | Very low | 36 | Very low | 136 Ų | 136 | 152 Ų | 152 | 70% | 0.697 | 78% | 0.777 | S | S | * | * | trans | 66.4 | 108 | 139.8 | -67 | 166.3 | 0 | 0 | 0 | 120.9 | ||||
| 1429 | S | 34.3 | Very low | 36 | Very low | 93 Ų | 93 | 154.6 Ų | 154.6 | 65% | 0.65 | 78% | 0.78 | S | S | * | * | trans | 55.8 | 130.4 | 137.7 | 76.9 | 0 | 0 | 0 | 0 | 125 | ||||
| 1430 | T | 35.2 | Very low | 36 | Very low | 122 Ų | 122 | 152.3 Ų | 152.3 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | 74.5 | 136.3 | 135.9 | 47.2 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 1431 | Y | 34.4 | Very low | 36.3 | Very low | 192 Ų | 192 | 152 Ų | 152 | 75% | 0.753 | 78% | 0.775 | S | S | * | * | trans | 81.8 | 118.9 | 146.4 | -102.2 | -114.2 | 0 | 0 | 0 | 121.6 | ||||
| 1432 | R | 37.3 | Very low | 36.5 | Very low | 205 Ų | 205 | 152.4 Ų | 152.4 | 77% | 0.774 | 77% | 0.774 | S | S | * | * | trans | 40.9 | 117.8 | 141.4 | -76 | -172.9 | 173.1 | 175.7 | -2.2 | 120.7 | ||||
| 1433 | S | 35.3 | Very low | 36.5 | Very low | 103 Ų | 103 | 154.6 Ų | 154.6 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | 82.1 | 131.7 | 127.4 | -59.3 | 0 | 0 | 0 | 0 | 120.8 | |||||
| 1434 | S | 34.8 | Very low | 36.1 | Very low | 107 Ų | 107 | 155.6 Ų | 155.6 | 75% | 0.748 | 77% | 0.769 | S | S | * | * | trans | 64.8 | 108.1 | 143.4 | 55.1 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 1435 | R | 34.2 | Very low | 35.6 | Very low | 226 Ų | 226 | 159.8 Ų | 159.8 | 85% | 0.853 | 78% | 0.777 | S | S | * | * | 78 | 116.5 | 129.9 | -75 | -175.8 | 169.4 | 178.2 | -2.8 | 120.6 | |||||
| 1436 | I | 36.3 | Very low | 35.6 | Very low | 148 Ų | 148 | 160.4 Ų | 160.4 | 76% | 0.759 | 78% | 0.777 | S | S | * | * | trans | 68.5 | 95.4 | 131.6 | -51.8 | 164.4 | 0 | 0 | 0 | 116.1 | ||||
| 1437 | K | 37.6 | Very low | 35.6 | Very low | 276 Ų | 276 | 159.3 Ų | 159.3 | 100% | 1.2 | 78% | 0.779 | S | S | * | * | -145.6 | 0 | 101.5 | -118 | -179.7 | -179.3 | -179.2 | 0 | 111.2 |
Retrieved 1,437 of 1,437 residues in 2639.7 ms
(Link to these results)