| 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 | 52 | Low | 73.8 | Confident | 222 Ų | 222 | 133.5 Ų | 133.5 | 100% | 1.094 | 65% | 0.649 | S | S | * | * | 0 | -39.5 | 0 | -106.6 | 179.2 | -175.2 | 0 | 0 | 113.5 | I3 K4 | M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 PolarHBondContact O-N 3.45Å; M1-K4 PolarHBondContact O-N 3.19Å | |||
| 2 | V | 58.1 | Low | 75 | Confident | 108 Ų | 108 | 134.3 Ų | 134.3 | 66% | 0.655 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -57.7 | -35.9 | 177.3 | 178.9 | 0 | 0 | 0 | 0 | 113.3 | K4 K5 N6 | V2-K4 PolarHBondContact O-N 3.35Å; V2-K5 PolarHBondContact O-N 3.26Å; V2-N6 PolarHBondContact O-N 3.38Å |
| 3 | I | 65.5 | Low | 76.3 | Confident | 124 Ų | 124 | 132.7 Ų | 132.7 | 64% | 0.636 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -54.9 | -47.9 | -177.8 | -58.1 | 171.7 | 0 | 0 | 0 | 111.8 | M1 K5 N6 D7 | M1-I3 VanDerWaalsContact C-N 3.27Å; M1-I3 PolarHBondContact O-N 3.45Å; I3-K5 VanDerWaalsContact C-N 3.34Å; I3-K5 PolarHBondContact O-N 2.78Å; I3-N6 PolarHBondContact O-N 3.03Å; I3-D7 PolarHBondContact O-N 3.15Å; I3-D7 VanDerWaalsContact O-N 3.1Å |
| 4 | K | 63.5 | Low | 77.1 | Confident | 167 Ų | 167 | 126 Ų | 126 | 73% | 0.726 | 62% | 0.619 | S | S | * | * | H | α-helix | trans | -66.6 | -27.5 | -177 | -70.5 | -168.8 | 176 | -172.7 | 0 | 114.8 | M1 V2 | M1-K4 PolarHBondContact O-N 3.19Å; V2-K4 PolarHBondContact O-N 3.35Å |
| 5 | K | 66 | Low | 78 | Confident | 165 Ų | 165 | 126.6 Ų | 126.6 | 72% | 0.717 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -75.5 | -40.4 | 177.2 | -107.3 | -171.4 | 175.5 | -172.9 | 0 | 111 | V2 I3 D7 I8 E9 | V2-K5 PolarHBondContact O-N 3.26Å; I3-K5 VanDerWaalsContact C-N 3.34Å; I3-K5 PolarHBondContact O-N 2.78Å; K5-D7 PolarHBondContact O-N 2.84Å; K5-I8 PolarHBondContact O-N 3.21Å; K5-E9 PolarHBondContact O-N 2.56Å |
| 6 | N | 77.5 | Confident | 78.8 | Confident | 95 Ų | 95 | 131.1 Ų | 131.1 | 51% | 0.508 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -62.1 | -36.6 | 174.8 | -69.7 | 0.4 | 0 | 0 | 0 | 111.1 | V2 I3 I8 F10 | V2-N6 PolarHBondContact O-N 3.38Å; I3-N6 PolarHBondContact O-N 3.03Å; N6-I8 PolarHBondContact O-N 3.36Å; N6-F10 WeakPolarHBondContact O-CB 3.43Å; N6-F10 PolarHBondContact O-N 3.46Å |
| 7 | D | 82.2 | Confident | 79.5 | Confident | 80 Ų | 80 | 131.9 Ų | 131.9 | 43% | 0.428 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -61.5 | -42.7 | 178.1 | -62.5 | -26.3 | 0 | 0 | 0 | 112.5 | I3 K5 F10 E11 | I3-D7 PolarHBondContact O-N 3.15Å; I3-D7 VanDerWaalsContact O-N 3.1Å; K5-D7 PolarHBondContact O-N 2.84Å; D7-F10 WeakPolarHBondContact O-CB 3.45Å; D7-F10 PolarHBondContact O-N 3.06Å; D7-E11 WeakPolarHBondContact O-CG 3.43Å; D7-E11 PolarHBondContact O-N 3.27Å |
| 8 | I | 84.9 | Confident | 80.1 | Confident | 96 Ų | 96 | 133.3 Ų | 133.3 | 49% | 0.492 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -70.5 | -40.8 | -178.8 | -63.2 | 169.4 | 0 | 0 | 0 | 112 | K5 N6 F10 E11 K12 | K5-I8 PolarHBondContact O-N 3.21Å; N6-I8 PolarHBondContact O-N 3.36Å; I8-F10 VanDerWaalsContact C-N 3.32Å; I8-E11 PolarHBondContact O-N 3.3Å; I8-K12 PolarHBondContact O-N 2.85Å; I8-K12 VanDerWaalsContact O-N 3.12Å |
| 9 | E | 86 | Confident | 80.6 | Confident | 136 Ų | 136 | 134.8 Ų | 134.8 | 64% | 0.636 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -67.1 | -37.6 | 175.5 | -71.6 | -164.4 | 170.7 | 0 | 0 | 111.5 | K5 E11 K12 L13 | K5-E9 PolarHBondContact O-N 2.56Å; E9-E11 VanDerWaalsContact C-N 3.34Å; E9-E11 PolarHBondContact O-N 3.46Å; E9-K12 PolarHBondContact O-N 2.68Å; E9-L13 WeakPolarHBondContact O-CG 3.36Å; E9-L13 PolarHBondContact O-N 2.86Å |
| 10 | F | 87.4 | Confident | 81.1 | Confident | 155 Ų | 155 | 130.6 Ų | 130.6 | 68% | 0.68 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -60.6 | -42.8 | 173.3 | -172.9 | -94.9 | 0 | 0 | 0 | 111.6 | N6 D7 I8 L13 A14 | N6-F10 WeakPolarHBondContact O-CB 3.43Å; N6-F10 PolarHBondContact O-N 3.46Å; D7-F10 WeakPolarHBondContact O-CB 3.45Å; D7-F10 PolarHBondContact O-N 3.06Å; I8-F10 VanDerWaalsContact C-N 3.32Å; F10-L13 PolarHBondContact O-N 3.47Å; F10-A14 VanDerWaalsContact O-CB 3.27Å; F10-A14 WeakPolarHBondContact O-CB 3.37Å; F10-A14 PolarHBondContact O-N 3.41Å |
| 11 | E | 88.2 | Confident | 81.6 | Confident | 121 Ų | 121 | 128.5 Ų | 128.5 | 57% | 0.565 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -62.5 | -43 | 175.4 | -77.5 | -179.5 | 171.8 | 0 | 0 | 113 | D7 I8 E9 A14 Q15 | D7-E11 WeakPolarHBondContact O-CG 3.43Å; D7-E11 PolarHBondContact O-N 3.27Å; I8-E11 PolarHBondContact O-N 3.3Å; E9-E11 VanDerWaalsContact C-N 3.34Å; E9-E11 PolarHBondContact O-N 3.46Å; E11-A14 PolarHBondContact O-N 2.78Å; E11-Q15 WeakPolarHBondContact O-CG 3.31Å; E11-Q15 PolarHBondContact O-N 2.96Å |
| 12 | K | 89.1 | Confident | 83.4 | Confident | 143 Ų | 143 | 125.8 Ų | 125.8 | 62% | 0.622 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -65 | -43.8 | 177.7 | -76.8 | -175.5 | 177.7 | -179 | 0 | 112.5 | I8 E9 A14 Q15 W16 | I8-K12 PolarHBondContact O-N 2.85Å; I8-K12 VanDerWaalsContact O-N 3.12Å; E9-K12 PolarHBondContact O-N 2.68Å; K12-A14 VanDerWaalsContact C-N 3.31Å; K12-Q15 PolarHBondContact O-N 3.4Å; K12-W16 PolarHBondContact O-N 3.4Å |
| 13 | L | 91.5 | Very high | 85 | Confident | 113 Ų | 113 | 124.8 Ų | 124.8 | 59% | 0.592 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.8 | -37.7 | 175.9 | -74.4 | 167.9 | 0 | 0 | 0 | 111.4 | E9 F10 W16 K17 | E9-L13 WeakPolarHBondContact O-CG 3.36Å; E9-L13 PolarHBondContact O-N 2.86Å; F10-L13 PolarHBondContact O-N 3.47Å; L13-W16 PolarHBondContact O-N 3.29Å; L13-K17 WeakPolarHBondContact O-CG 3.36Å; L13-K17 PolarHBondContact O-N 2.95Å |
| 14 | A | 88.1 | Confident | 86.2 | Confident | 39 Ų | 39 | 123.4 Ų | 123.4 | 32% | 0.322 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.5 | -39.1 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | F10 E11 K12 K18 | F10-A14 VanDerWaalsContact O-CB 3.27Å; F10-A14 WeakPolarHBondContact O-CB 3.37Å; F10-A14 PolarHBondContact O-N 3.41Å; E11-A14 PolarHBondContact O-N 2.78Å; K12-A14 VanDerWaalsContact C-N 3.31Å; A14-K18 WeakPolarHBondContact O-CG 3.43Å; A14-K18 PolarHBondContact O-N 2.99Å; A14-K18 VanDerWaalsContact O-N 3.07Å |
| 15 | Q | 90.1 | Very high | 87.5 | Confident | 135 Ų | 135 | 120.9 Ų | 120.9 | 63% | 0.631 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -66 | -43.7 | 174.9 | -74.7 | -179.7 | 2.3 | 0 | 0 | 112.3 | E11 K12 K18 Y19 | E11-Q15 WeakPolarHBondContact O-CG 3.31Å; E11-Q15 PolarHBondContact O-N 2.96Å; K12-Q15 PolarHBondContact O-N 3.4Å; Q15-K18 PolarHBondContact O-N 3.42Å; Q15-Y19 PolarHBondContact O-N 2.93Å |
| 16 | W | 90.8 | Very high | 88.6 | Confident | 198 Ų | 198 | 115 Ų | 115 | 75% | 0.75 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.4 | -42.8 | 177.6 | -112.3 | 98.1 | 0 | 0 | 0 | 112.4 | K12 L13 Y19 S20 | K12-W16 PolarHBondContact O-N 3.4Å; L13-W16 PolarHBondContact O-N 3.29Å; W16-Y19 PolarHBondContact O-N 3.38Å; W16-S20 WeakPolarHBondContact O-CB 3.45Å; W16-S20 PolarHBondContact O-N 3.49Å |
| 17 | K | 91.4 | Very high | 89.2 | Confident | 145 Ų | 145 | 113.8 Ų | 113.8 | 63% | 0.63 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -58.6 | -48.1 | 173.1 | -77.8 | -175.5 | 176.6 | -175.2 | 0 | 111.5 | L13 Y19 S20 D21 | L13-K17 WeakPolarHBondContact O-CG 3.36Å; L13-K17 PolarHBondContact O-N 2.95Å; K17-Y19 VanDerWaalsContact C-N 3.28Å; K17-Y19 PolarHBondContact O-N 3.17Å; K17-S20 PolarHBondContact O-N 3.21Å; K17-D21 WeakPolarHBondContact O-CB 3.44Å; K17-D21 PolarHBondContact O-N 3.47Å |
| 18 | K | 89.1 | Confident | 89.6 | Confident | 157 Ų | 157 | 113.8 Ų | 113.8 | 68% | 0.683 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -56.1 | -40.5 | 176.1 | -77.3 | 178.6 | 178.4 | -177.5 | 0 | 113 | A14 Q15 Y22 | A14-K18 WeakPolarHBondContact O-CG 3.43Å; A14-K18 PolarHBondContact O-N 2.99Å; A14-K18 VanDerWaalsContact O-N 3.07Å; Q15-K18 PolarHBondContact O-N 3.42Å; K18-Y22 WeakPolarHBondContact O-CB 3.35Å; K18-Y22 PolarHBondContact O-N 3.24Å |
| 19 | Y | 90 | Very high | 89.8 | Confident | 162 Ų | 162 | 118.2 Ų | 118.2 | 64% | 0.635 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -72 | -42.1 | -179.5 | -147.8 | -86.6 | 0 | 0 | 0 | 112.2 | Q15 W16 K17 Y22 L23 | Q15-Y19 PolarHBondContact O-N 2.93Å; W16-Y19 PolarHBondContact O-N 3.38Å; K17-Y19 VanDerWaalsContact C-N 3.28Å; K17-Y19 PolarHBondContact O-N 3.17Å; Y19-Y22 PolarHBondContact O-N 3.44Å; Y19-L23 HydrophobicContact CD1-CD1 3.94Å; Y19-L23 HydrophobicContact CD1-CG 4.36Å; Y19-L23 HydrophobicContact CE1-CD1 4.05Å; Y19-L23 HydrophobicContact CE1-CG 4.42Å; Y19-L23 PolarHBondContact O-N 2.89Å; Y19-L23 VanDerWaalsContact O-N 3.08Å |
| 20 | S | 90.8 | Very high | 89.9 | Confident | 51 Ų | 51 | 115.8 Ų | 115.8 | 36% | 0.357 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.8 | -44.5 | 174.8 | -173.2 | 0 | 0 | 0 | 0 | 111.8 | W16 K17 Y22 L23 N24 | W16-S20 WeakPolarHBondContact O-CB 3.45Å; W16-S20 PolarHBondContact O-N 3.49Å; K17-S20 PolarHBondContact O-N 3.21Å; S20-Y22 VanDerWaalsContact C-N 3.31Å; S20-Y22 PolarHBondContact O-N 3.06Å; S20-L23 PolarHBondContact O-N 3.21Å; S20-N24 PolarHBondContact O-N 3.38Å |
| 21 | D | 90.5 | Very high | 90.1 | Very high | 87 Ų | 87 | 114.5 Ų | 114.5 | 47% | 0.465 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -63.5 | -39.3 | 177.9 | -66.5 | -21.5 | 0 | 0 | 0 | 110.9 | K17 N25 | K17-D21 WeakPolarHBondContact O-CB 3.44Å; K17-D21 PolarHBondContact O-N 3.47Å; D21-N25 VanDerWaalsContact O-CB 3.24Å; D21-N25 WeakPolarHBondContact O-CB 3Å; D21-N25 PolarHBondContact O-N 3.4Å; D21-N25 PolarHBondContact O-ND2 3.39Å |
| 22 | Y | 91.5 | Very high | 90 | Very high | 164 Ų | 164 | 111.7 Ų | 111.7 | 64% | 0.643 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.5 | -45.9 | 175.6 | 178.8 | -97.8 | 0 | 0 | 0 | 112.4 | K18 Y19 S20 N25 S26 | K18-Y22 WeakPolarHBondContact O-CB 3.35Å; K18-Y22 PolarHBondContact O-N 3.24Å; Y19-Y22 PolarHBondContact O-N 3.44Å; S20-Y22 VanDerWaalsContact C-N 3.31Å; S20-Y22 PolarHBondContact O-N 3.06Å; Y22-N25 PolarHBondContact O-N 2.95Å; Y22-S26 WeakPolarHBondContact O-CB 3.02Å; Y22-S26 PolarHBondContact O-N 2.91Å |
| 23 | L | 89.9 | Confident | 90 | Very high | 87 Ų | 87 | 110.7 Ų | 110.7 | 46% | 0.455 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -64.9 | -46.1 | 179.3 | -73.7 | 171.7 | 0 | 0 | 0 | 112 | Y19 S20 N25 S26 T27 | Y19-L23 HydrophobicContact CD1-CD1 3.94Å; Y19-L23 HydrophobicContact CD1-CG 4.36Å; Y19-L23 HydrophobicContact CE1-CD1 4.05Å; Y19-L23 HydrophobicContact CE1-CG 4.42Å; Y19-L23 PolarHBondContact O-N 2.89Å; Y19-L23 VanDerWaalsContact O-N 3.08Å; S20-L23 PolarHBondContact O-N 3.21Å; L23-N25 VanDerWaalsContact C-N 3.35Å; L23-N25 PolarHBondContact O-N 3.08Å; L23-S26 PolarHBondContact O-N 2.79Å; L23-S26 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-OG 3.04Å; L23-T27 PolarHBondContact O-N 3.39Å; L23-T27 VanDerWaalsContact O-N 3.09Å; L23-T27 PolarHBondContact O-OG1 3.4Å |
| 24 | N | 90.8 | Very high | 89.9 | Confident | 95 Ų | 95 | 113.1 Ų | 113.1 | 51% | 0.508 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 177 | -73.6 | -16.2 | 0 | 0 | 0 | 112.2 | S20 S26 T27 V28 | S20-N24 PolarHBondContact O-N 3.38Å; N24-S26 VanDerWaalsContact C-N 3.29Å; N24-S26 PolarHBondContact O-N 3.44Å; N24-T27 PolarHBondContact O-OG1 3.26Å; N24-V28 WeakPolarHBondContact O-CG2 3.45Å; N24-V28 PolarHBondContact O-N 2.73Å |
| 25 | N | 90.8 | Very high | 89.8 | Confident | 114 Ų | 114 | 115.8 Ų | 115.8 | 61% | 0.61 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.3 | -32.8 | 175.2 | -72.5 | -29.6 | 0 | 0 | 0 | 111.8 | D21 Y22 L23 R29 | D21-N25 VanDerWaalsContact O-CB 3.24Å; D21-N25 WeakPolarHBondContact O-CB 3Å; D21-N25 PolarHBondContact O-N 3.4Å; D21-N25 PolarHBondContact O-ND2 3.39Å; Y22-N25 PolarHBondContact O-N 2.95Å; L23-N25 VanDerWaalsContact C-N 3.35Å; L23-N25 PolarHBondContact O-N 3.08Å; N25-R29 VanDerWaalsContact O-CB 3.25Å; N25-R29 WeakPolarHBondContact O-CB 3.04Å; N25-R29 PolarHBondContact O-N 2.72Å; N25-R29 VanDerWaalsContact O-N 3.08Å |
| 26 | S | 89.3 | Confident | 89.4 | Confident | 41 Ų | 41 | 116.5 Ų | 116.5 | 29% | 0.287 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -68.2 | -41.6 | 178 | 78.7 | 0 | 0 | 0 | 0 | 112.6 | Y22 L23 N24 R29 T30 | Y22-S26 WeakPolarHBondContact O-CB 3.02Å; Y22-S26 PolarHBondContact O-N 2.91Å; L23-S26 PolarHBondContact O-N 2.79Å; L23-S26 VanDerWaalsContact O-N 3.13Å; L23-S26 PolarHBondContact O-OG 3.04Å; N24-S26 VanDerWaalsContact C-N 3.29Å; N24-S26 PolarHBondContact O-N 3.44Å; S26-R29 PolarHBondContact O-N 2.65Å; S26-T30 WeakPolarHBondContact O-CG2 3.31Å; S26-T30 PolarHBondContact O-N 2.84Å; S26-T30 PolarHBondContact O-OG1 3.32Å |
| 27 | T | 90.6 | Very high | 89 | Confident | 71 Ų | 71 | 111.7 Ų | 111.7 | 44% | 0.436 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67.1 | -48.1 | 179.3 | 51 | 0 | 0 | 0 | 0 | 111.4 | L23 N24 R29 T30 E31 | L23-T27 PolarHBondContact O-N 3.39Å; L23-T27 VanDerWaalsContact O-N 3.09Å; L23-T27 PolarHBondContact O-OG1 3.4Å; N24-T27 PolarHBondContact O-OG1 3.26Å; T27-R29 VanDerWaalsContact C-N 3.26Å; T27-R29 PolarHBondContact O-N 2.89Å; T27-T30 PolarHBondContact O-N 3.23Å; T27-T30 VanDerWaalsContact O-N 3.12Å; T27-T30 PolarHBondContact O-OG1 3.26Å; T27-E31 PolarHBondContact O-N 2.8Å |
| 28 | V | 91.4 | Very high | 88.8 | Confident | 79 Ų | 79 | 106.9 Ų | 106.9 | 48% | 0.479 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.7 | -40.5 | 175.3 | 174.1 | 0 | 0 | 0 | 0 | 111.1 | N24 E31 K32 | N24-V28 WeakPolarHBondContact O-CG2 3.45Å; N24-V28 PolarHBondContact O-N 2.73Å; V28-E31 PolarHBondContact O-N 3.05Å; V28-K32 HydrophobicContact CG1-CG 4.4Å; V28-K32 WeakPolarHBondContact O-CB 3.05Å; V28-K32 VanDerWaalsContact O-CG 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.03Å; V28-K32 PolarHBondContact O-N 3.48Å |
| 29 | R | 88 | Confident | 88.5 | Confident | 190 Ų | 190 | 105 Ų | 105 | 72% | 0.717 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.8 | -45.2 | 176.9 | -170.3 | 178.2 | -173.1 | 170.3 | 2.9 | 111.9 | N25 S26 T27 K32 E33 | N25-R29 VanDerWaalsContact O-CB 3.25Å; N25-R29 WeakPolarHBondContact O-CB 3.04Å; N25-R29 PolarHBondContact O-N 2.72Å; N25-R29 VanDerWaalsContact O-N 3.08Å; S26-R29 PolarHBondContact O-N 2.65Å; T27-R29 VanDerWaalsContact C-N 3.26Å; T27-R29 PolarHBondContact O-N 2.89Å; R29-K32 PolarHBondContact O-N 2.94Å; R29-E33 WeakPolarHBondContact O-CB 3.2Å; R29-E33 PolarHBondContact O-N 2.83Å |
| 30 | T | 89.3 | Confident | 88.3 | Confident | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.521 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -65.6 | -37.7 | 179.1 | 54.8 | 0 | 0 | 0 | 0 | 113.1 | S26 T27 K34 | S26-T30 WeakPolarHBondContact O-CG2 3.31Å; S26-T30 PolarHBondContact O-N 2.84Å; S26-T30 PolarHBondContact O-OG1 3.32Å; T27-T30 PolarHBondContact O-N 3.23Å; T27-T30 VanDerWaalsContact O-N 3.12Å; T27-T30 PolarHBondContact O-OG1 3.26Å; T30-K34 PolarHBondContact O-N 2.8Å; T30-K34 VanDerWaalsContact O-N 3.09Å |
| 31 | E | 90 | Very high | 87.9 | Confident | 128 Ų | 128 | 105.7 Ų | 105.7 | 60% | 0.598 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.3 | -42.5 | 175.4 | -73.6 | -177.5 | 165.5 | 0 | 0 | 112 | T27 V28 K34 Q35 | T27-E31 PolarHBondContact O-N 2.8Å; V28-E31 PolarHBondContact O-N 3.05Å; E31-K34 WeakPolarHBondContact O-CB 3.41Å; E31-K34 PolarHBondContact O-N 2.89Å; E31-Q35 WeakPolarHBondContact O-CG 3.01Å; E31-Q35 PolarHBondContact O-N 3.45Å |
| 32 | K | 87.2 | Confident | 87.3 | Confident | 61 Ų | 61 | 108.3 Ų | 108.3 | 27% | 0.265 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.1 | -38.8 | 176.6 | -70.4 | -69 | 170.1 | -165.5 | 0 | 112.2 | V28 R29 K34 Q35 W36 | V28-K32 HydrophobicContact CG1-CG 4.4Å; V28-K32 WeakPolarHBondContact O-CB 3.05Å; V28-K32 VanDerWaalsContact O-CG 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.03Å; V28-K32 PolarHBondContact O-N 3.48Å; R29-K32 PolarHBondContact O-N 2.94Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 3.44Å; K32-Q35 PolarHBondContact O-N 3.43Å; K32-W36 HydrophobicContact CB-CD2 4.44Å; K32-W36 HydrophobicContact CB-CE3 4.44Å; K32-W36 HydrophobicContact CB-CH2 4.2Å; K32-W36 HydrophobicContact CB-CZ2 4.17Å; K32-W36 HydrophobicContact CB-CZ3 4.33Å; K32-W36 WeakPolarHBondContact O-CB 3.41Å; K32-W36 PolarHBondContact O-N 3.2Å |
| 33 | E | 88.6 | Confident | 86.8 | Confident | 122 Ų | 122 | 104.8 Ų | 104.8 | 57% | 0.57 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.5 | -39 | 173.6 | -169.6 | 171.4 | -176.4 | 0 | 0 | 111.8 | R29 S37 | R29-E33 WeakPolarHBondContact O-CB 3.2Å; R29-E33 PolarHBondContact O-N 2.83Å; E33-S37 VanDerWaalsContact O-CB 3.27Å; E33-S37 WeakPolarHBondContact O-CB 3.37Å; E33-S37 PolarHBondContact O-N 2.96Å; E33-S37 PolarHBondContact O-OG 3.02Å |
| 34 | K | 88.9 | Confident | 86.2 | Confident | 165 Ų | 165 | 107.4 Ų | 107.4 | 72% | 0.717 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.1 | -39.7 | 173.3 | -165.2 | 178.4 | -179.4 | -177.5 | 0 | 112.9 | T30 E31 K32 S37 S38 | T30-K34 PolarHBondContact O-N 2.8Å; T30-K34 VanDerWaalsContact O-N 3.09Å; E31-K34 WeakPolarHBondContact O-CB 3.41Å; E31-K34 PolarHBondContact O-N 2.89Å; K32-K34 VanDerWaalsContact C-N 3.3Å; K32-K34 PolarHBondContact O-N 3.44Å; K34-S37 WeakPolarHBondContact CA-OG 3.39Å; K34-S37 PolarHBondContact O-OG 2.82Å; K34-S38 PolarHBondContact O-N 3.28Å |
| 35 | Q | 86.8 | Confident | 85.4 | Confident | 95 Ų | 95 | 105.5 Ų | 105.5 | 44% | 0.444 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -64.6 | -48.2 | 175.1 | -74.8 | -179.3 | -9.9 | 0 | 0 | 111.5 | E31 K32 S37 S38 Y41 | E31-Q35 WeakPolarHBondContact O-CG 3.01Å; E31-Q35 PolarHBondContact O-N 3.45Å; K32-Q35 PolarHBondContact O-N 3.43Å; Q35-S37 PolarHBondContact O-N 3.16Å; Q35-S38 VanDerWaalsContact O-CB 3.31Å; Q35-S38 WeakPolarHBondContact O-CB 3.49Å; Q35-S38 PolarHBondContact O-N 3.37Å; Q35-S38 VanDerWaalsContact O-N 3.17Å; Q35-S38 PolarHBondContact O-OG 3.47Å; Q35-Y41 WeakPolarHBondContact O-CB 3.23Å |
| 36 | W | 82.3 | Confident | 84.2 | Confident | 150 Ų | 150 | 102.6 Ų | 102.6 | 57% | 0.568 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -68.4 | -32.8 | -178.7 | -64.7 | -26.9 | 0 | 0 | 0 | 113.4 | K32 S38 Y41 | K32-W36 HydrophobicContact CB-CD2 4.44Å; K32-W36 HydrophobicContact CB-CE3 4.44Å; K32-W36 HydrophobicContact CB-CH2 4.2Å; K32-W36 HydrophobicContact CB-CZ2 4.17Å; K32-W36 HydrophobicContact CB-CZ3 4.33Å; K32-W36 WeakPolarHBondContact O-CB 3.41Å; K32-W36 PolarHBondContact O-N 3.2Å; W36-S38 PolarHBondContact O-N 2.89Å; W36-Y41 HydrophobicContact CB-CD1 4.44Å; W36-Y41 AromaticContact CD1-CE1 3.54Å; W36-Y41 AromaticContact CD1-CZ 3.59Å; W36-Y41 HydrophobicContact CG-CE1 4.31Å |
| 37 | S | 81.9 | Confident | 83.3 | Confident | 96 Ų | 96 | 106.8 Ų | 106.8 | 67% | 0.671 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -8.8 | 174.6 | 57.6 | 0 | 0 | 0 | 0 | 113.7 | E33 K34 Q35 | E33-S37 VanDerWaalsContact O-CB 3.27Å; E33-S37 WeakPolarHBondContact O-CB 3.37Å; E33-S37 PolarHBondContact O-N 2.96Å; E33-S37 PolarHBondContact O-OG 3.02Å; K34-S37 WeakPolarHBondContact CA-OG 3.39Å; K34-S37 PolarHBondContact O-OG 2.82Å; Q35-S37 PolarHBondContact O-N 3.16Å |
| 38 | S | 86.3 | Confident | 82.1 | Confident | 44 Ų | 44 | 107.4 Ų | 107.4 | 31% | 0.308 | 52% | 0.518 | S | S | . | . | S | Bend | trans | -71.9 | 142.2 | 179.3 | 79.1 | 0 | 0 | 0 | 0 | 112.4 | K34 Q35 W36 K40 Y41 K42 | K34-S38 PolarHBondContact O-N 3.28Å; Q35-S38 VanDerWaalsContact O-CB 3.31Å; Q35-S38 WeakPolarHBondContact O-CB 3.49Å; Q35-S38 PolarHBondContact O-N 3.37Å; Q35-S38 VanDerWaalsContact O-N 3.17Å; Q35-S38 PolarHBondContact O-OG 3.47Å; W36-S38 PolarHBondContact O-N 2.89Å; S38-K40 PolarHBondContact O-N 3.33Å; S38-Y41 PolarHBondContact O-N 2.8Å; S38-Y41 WeakPolarHBondContact OG-CB 3.43Å; S38-Y41 PolarHBondContact OG-N 3.44Å; S38-K42 PolarHBondContact O-N 3.19Å |
| 39 | N | 84.6 | Confident | 80.5 | Confident | 118 Ų | 118 | 109.7 Ų | 109.7 | 63% | 0.631 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -64.6 | -29.9 | 178 | -153.1 | 35.3 | 0 | 0 | 0 | 112 | K42 I43 | N39-K42 WeakPolarHBondContact O-CB 3.4Å; N39-K42 PolarHBondContact O-N 3.42Å; N39-I43 WeakPolarHBondContact O-CG1 3.14Å; N39-I43 PolarHBondContact O-N 2.93Å; N39-I43 VanDerWaalsContact O-N 3.1Å |
| 40 | K | 84.6 | Confident | 79.1 | Confident | 119 Ų | 119 | 107.8 Ų | 107.8 | 52% | 0.517 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -48.5 | 176 | -164.9 | 175.9 | -178.6 | -175.3 | 0 | 110.4 | S38 K42 I43 Y44 E434 | S38-K40 PolarHBondContact O-N 3.33Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3.22Å; K40-I43 PolarHBondContact O-N 2.77Å; K40-Y44 HydrophobicContact CD-CE2 4.41Å; K40-Y44 HydrophobicContact CG-CD2 3.87Å; K40-Y44 HydrophobicContact CG-CE2 3.8Å; K40-Y44 WeakPolarHBondContact O-CD2 3.28Å; K40-Y44 PolarHBondContact O-N 2.94Å; K40-E434 IonicContact NZ-OE2 2.8Å |
| 41 | Y | 82.1 | Confident | 77.8 | Confident | 109 Ų | 109 | 106.4 Ų | 106.4 | 43% | 0.427 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.8 | -39 | 175.7 | -172.9 | -99.5 | 0 | 0 | 0 | 112.2 | Q35 W36 S38 I43 Y44 S45 | Q35-Y41 WeakPolarHBondContact O-CB 3.23Å; W36-Y41 HydrophobicContact CB-CD1 4.44Å; W36-Y41 AromaticContact CD1-CE1 3.54Å; W36-Y41 AromaticContact CD1-CZ 3.59Å; W36-Y41 HydrophobicContact CG-CE1 4.31Å; S38-Y41 PolarHBondContact O-N 2.8Å; S38-Y41 WeakPolarHBondContact OG-CB 3.43Å; S38-Y41 PolarHBondContact OG-N 3.44Å; Y41-I43 VanDerWaalsContact C-N 3.32Å; Y41-I43 PolarHBondContact O-N 2.87Å; Y41-Y44 PolarHBondContact O-N 3.49Å; Y41-S45 WeakPolarHBondContact O-CB 3.33Å; Y41-S45 PolarHBondContact O-N 2.84Å |
| 42 | K | 78.7 | Confident | 76.2 | Confident | 141 Ų | 141 | 107.5 Ų | 107.5 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -60.8 | -39.8 | 177.5 | -155 | 177.9 | -174.2 | -179.1 | 0 | 112.4 | S38 N39 K40 S46 | S38-K42 PolarHBondContact O-N 3.19Å; N39-K42 WeakPolarHBondContact O-CB 3.4Å; N39-K42 PolarHBondContact O-N 3.42Å; K40-K42 VanDerWaalsContact C-N 3.31Å; K40-K42 PolarHBondContact O-N 3.22Å; K42-S46 VanDerWaalsContact O-CB 3.31Å; K42-S46 WeakPolarHBondContact O-CB 2.93Å; K42-S46 PolarHBondContact O-N 3.25Å; K42-S46 VanDerWaalsContact O-N 3.15Å; K42-S46 PolarHBondContact O-OG 3.39Å |
| 43 | I | 81.2 | Confident | 74.5 | Confident | 91 Ų | 91 | 107 Ų | 107 | 47% | 0.467 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71 | -52 | 177.1 | -65.4 | 167.4 | 0 | 0 | 0 | 110.6 | N39 K40 Y41 S45 S46 Q47 | N39-I43 WeakPolarHBondContact O-CG1 3.14Å; N39-I43 PolarHBondContact O-N 2.93Å; N39-I43 VanDerWaalsContact O-N 3.1Å; K40-I43 PolarHBondContact O-N 2.77Å; Y41-I43 VanDerWaalsContact C-N 3.32Å; Y41-I43 PolarHBondContact O-N 2.87Å; I43-S45 PolarHBondContact O-N 2.76Å; I43-S46 WeakPolarHBondContact O-CB 2.97Å; I43-S46 PolarHBondContact O-N 3.3Å; I43-Q47 WeakPolarHBondContact O-CB 3.5Å; I43-Q47 PolarHBondContact O-N 2.97Å |
| 44 | Y | 77.5 | Confident | 73.1 | Confident | 141 Ų | 141 | 105.8 Ų | 105.8 | 55% | 0.553 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.4 | -44.6 | -179.9 | -85.6 | -77.8 | 0 | 0 | 0 | 112.5 | K40 Y41 S46 Q47 D48 | K40-Y44 HydrophobicContact CD-CE2 4.41Å; K40-Y44 HydrophobicContact CG-CD2 3.87Å; K40-Y44 HydrophobicContact CG-CE2 3.8Å; K40-Y44 WeakPolarHBondContact O-CD2 3.28Å; K40-Y44 PolarHBondContact O-N 2.94Å; Y41-Y44 PolarHBondContact O-N 3.49Å; Y44-S46 VanDerWaalsContact C-N 3.3Å; Y44-S46 PolarHBondContact O-N 2.88Å; Y44-Q47 PolarHBondContact O-N 3.07Å; Y44-D48 WeakPolarHBondContact O-CB 3.21Å; Y44-D48 PolarHBondContact O-N 3.19Å |
| 45 | S | 73.1 | Confident | 71.8 | Confident | 56 Ų | 56 | 101.6 Ų | 101.6 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -61.6 | -38.7 | 175.9 | 175.8 | 0 | 0 | 0 | 0 | 111.9 | Y41 I43 F49 | Y41-S45 WeakPolarHBondContact O-CB 3.33Å; Y41-S45 PolarHBondContact O-N 2.84Å; I43-S45 PolarHBondContact O-N 2.76Å; S45-F49 WeakPolarHBondContact O-CB 3.43Å; S45-F49 PolarHBondContact O-N 3.5Å |
| 46 | S | 67 | Low | 70.6 | Confident | 53 Ų | 53 | 104.7 Ų | 104.7 | 37% | 0.371 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65 | -47.3 | 174.7 | -59.8 | 0 | 0 | 0 | 0 | 110.7 | K42 I43 Y44 D48 F49 F50 | K42-S46 VanDerWaalsContact O-CB 3.31Å; K42-S46 WeakPolarHBondContact O-CB 2.93Å; K42-S46 PolarHBondContact O-N 3.25Å; K42-S46 VanDerWaalsContact O-N 3.15Å; K42-S46 PolarHBondContact O-OG 3.39Å; I43-S46 WeakPolarHBondContact O-CB 2.97Å; I43-S46 PolarHBondContact O-N 3.3Å; Y44-S46 VanDerWaalsContact C-N 3.3Å; Y44-S46 PolarHBondContact O-N 2.88Å; S46-D48 PolarHBondContact O-N 3.39Å; S46-F49 PolarHBondContact O-N 2.88Å; S46-F50 WeakPolarHBondContact O-CD2 3.41Å; S46-F50 WeakPolarHBondContact O-CG 3.35Å; S46-F50 PolarHBondContact O-N 2.95Å |
| 47 | Q | 69.4 | Low | 69.9 | Low | 129 Ų | 129 | 99.3 Ų | 99.3 | 60% | 0.603 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.9 | -40.5 | -178.5 | -129.1 | 163.8 | -17.2 | 0 | 0 | 112.4 | I43 Y44 F50 G51 | I43-Q47 WeakPolarHBondContact O-CB 3.5Å; I43-Q47 PolarHBondContact O-N 2.97Å; Y44-Q47 PolarHBondContact O-N 3.07Å; Q47-F50 PolarHBondContact O-N 3.32Å; Q47-G51 PolarHBondContact O-N 3.48Å |
| 48 | D | 64.8 | Low | 69.5 | Low | 84 Ų | 84 | 99.1 Ų | 99.1 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -67.5 | -39 | 173.9 | -105.3 | 26.8 | 0 | 0 | 0 | 111.9 | Y44 S46 G51 K52 | Y44-D48 WeakPolarHBondContact O-CB 3.21Å; Y44-D48 PolarHBondContact O-N 3.19Å; S46-D48 PolarHBondContact O-N 3.39Å; D48-G51 PolarHBondContact O-N 3.1Å; D48-K52 WeakPolarHBondContact O-CB 3.13Å; D48-K52 PolarHBondContact O-N 3.46Å; D48-K52 IonicContact OD2-NZ 3.53Å; D48-K52 PolarHBondContact OD2-NZ 3.31Å |
| 49 | F | 59.2 | Low | 69.1 | Low | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.553 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -40.6 | 177.1 | -178.2 | -95.5 | 0 | 0 | 0 | 112 | S45 S46 | S45-F49 WeakPolarHBondContact O-CB 3.43Å; S45-F49 PolarHBondContact O-N 3.5Å; S46-F49 PolarHBondContact O-N 2.88Å |
| 50 | F | 57.8 | Low | 68.7 | Low | 151 Ų | 151 | 100.2 Ų | 100.2 | 66% | 0.662 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -77 | -34.6 | 176.4 | -66.1 | -60.3 | 0 | 0 | 0 | 112.7 | S46 Q47 | S46-F50 WeakPolarHBondContact O-CD2 3.41Å; S46-F50 WeakPolarHBondContact O-CG 3.35Å; S46-F50 PolarHBondContact O-N 2.95Å; Q47-F50 PolarHBondContact O-N 3.32Å |
| 51 | G | 61.7 | Low | 68.5 | Low | 56 Ų | 56 | 98.4 Ų | 98.4 | 58% | 0.577 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -77.1 | -36.6 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.8 | Q47 D48 | Q47-G51 PolarHBondContact O-N 3.48Å; D48-G51 PolarHBondContact O-N 3.1Å |
| 52 | K | 57.2 | Low | 68.5 | Low | 150 Ų | 150 | 98.1 Ų | 98.1 | 65% | 0.652 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -87.2 | -10.9 | -176.2 | -72.1 | 174.3 | 178.1 | 158.4 | 0 | 114.5 | D48 | D48-K52 WeakPolarHBondContact O-CB 3.13Å; D48-K52 PolarHBondContact O-N 3.46Å; D48-K52 IonicContact OD2-NZ 3.53Å; D48-K52 PolarHBondContact OD2-NZ 3.31Å |
| 53 | N | 51.2 | Low | 68.6 | Low | 50 Ų | 50 | 94.4 Ų | 94.4 | 27% | 0.267 | 50% | 0.499 | S | S | . | . | trans | -117 | 53.3 | -178.3 | -74.6 | -35.2 | 0 | 0 | 0 | 112.3 | S57 | N53-S57 WeakPolarHBondContact CA-OG 3.34Å; N53-S57 WeakPolarHBondContact OD1-CB 3.43Å; N53-S57 PolarHBondContact OD1-OG 3.08Å | ||
| 54 | S | 58.3 | Low | 68.8 | Low | 97 Ų | 97 | 98.4 Ų | 98.4 | 68% | 0.678 | 51% | 0.509 | S | S | * | . | S | Bend | trans | -82.3 | -12.8 | -170.6 | 70.6 | 0 | 0 | 0 | 0 | 115.8 | ||
| 55 | D | 61.7 | Low | 69.3 | Low | 77 Ų | 77 | 99.8 Ų | 99.8 | 41% | 0.412 | 51% | 0.513 | S | S | . | . | S | Bend | trans | -178.4 | -45.7 | 165 | -109.1 | -6.3 | 0 | 0 | 0 | 114.4 | Q58 K59 | D55-Q58 PolarHBondContact O-N 2.86Å; D55-K59 WeakPolarHBondContact O-CB 3.42Å; D55-K59 WeakPolarHBondContact O-CG 3.48Å; D55-K59 PolarHBondContact O-N 3.23Å; D55-K59 IonicContact OD1-NZ 3.75Å; D55-K59 IonicContact OD2-NZ 2.75Å; D55-K59 PolarHBondContact OD2-NZ 2.9Å |
| 56 | H | 61.4 | Low | 70 | Confident | 161 Ų | 161 | 104.4 Ų | 104.4 | 75% | 0.745 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -69.7 | -41.1 | -171.1 | -81.9 | -71.7 | 0 | 0 | 0 | 113.1 | K59 S60 | H56-K59 PolarHBondContact O-N 3.45Å; H56-S60 WeakPolarHBondContact O-CB 3.46Å; H56-S60 PolarHBondContact O-N 3.48Å; H56-S60 PolarHBondContact O-OG 3.37Å |
| 57 | S | 68.7 | Low | 71 | Confident | 36 Ų | 36 | 109 Ų | 109 | 25% | 0.252 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -68 | -37.8 | 174.5 | 60.5 | 0 | 0 | 0 | 0 | 111.7 | N53 S60 L61 | N53-S57 WeakPolarHBondContact CA-OG 3.34Å; N53-S57 WeakPolarHBondContact OD1-CB 3.43Å; N53-S57 PolarHBondContact OD1-OG 3.08Å; S57-S60 PolarHBondContact O-OG 3.4Å; S57-S60 VanDerWaalsContact O-OG 3.06Å; S57-L61 WeakPolarHBondContact O-CB 3.32Å; S57-L61 WeakPolarHBondContact O-CD1 3.17Å; S57-L61 VanDerWaalsContact O-CG 3.23Å; S57-L61 WeakPolarHBondContact O-CG 3.47Å; S57-L61 PolarHBondContact O-N 2.92Å |
| 58 | Q | 72.4 | Confident | 71.8 | Confident | 93 Ų | 93 | 107 Ų | 107 | 44% | 0.435 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.7 | -44.6 | 173.1 | -89.4 | -165.7 | -9.6 | 0 | 0 | 111.7 | D55 L61 Q62 | D55-Q58 PolarHBondContact O-N 2.86Å; Q58-L61 PolarHBondContact O-N 3.45Å; Q58-Q62 VanDerWaalsContact O-CB 3.27Å; Q58-Q62 WeakPolarHBondContact O-CB 3.24Å; Q58-Q62 WeakPolarHBondContact O-CG 3.21Å; Q58-Q62 PolarHBondContact O-N 3.41Å |
| 59 | K | 77.6 | Confident | 72.9 | Confident | 111 Ų | 111 | 108 Ų | 108 | 48% | 0.483 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 177.1 | -73.9 | 167.1 | -169.2 | 166.1 | 0 | 111.2 | D55 H56 Q62 A63 | D55-K59 WeakPolarHBondContact O-CB 3.42Å; D55-K59 WeakPolarHBondContact O-CG 3.48Å; D55-K59 PolarHBondContact O-N 3.23Å; D55-K59 IonicContact OD1-NZ 3.75Å; D55-K59 IonicContact OD2-NZ 2.75Å; D55-K59 PolarHBondContact OD2-NZ 2.9Å; H56-K59 PolarHBondContact O-N 3.45Å; K59-Q62 PolarHBondContact O-N 3.39Å; K59-A63 WeakPolarHBondContact O-CB 3.08Å; K59-A63 PolarHBondContact O-N 3.23Å |
| 60 | S | 77.7 | Confident | 74.2 | Confident | 73 Ų | 73 | 108 Ų | 108 | 51% | 0.51 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -68 | -40.1 | 177.6 | 70.4 | 0 | 0 | 0 | 0 | 112.6 | H56 S57 A63 R64 | H56-S60 WeakPolarHBondContact O-CB 3.46Å; H56-S60 PolarHBondContact O-N 3.48Å; H56-S60 PolarHBondContact O-OG 3.37Å; S57-S60 PolarHBondContact O-OG 3.4Å; S57-S60 VanDerWaalsContact O-OG 3.06Å; S60-A63 PolarHBondContact O-N 3.32Å; S60-R64 WeakPolarHBondContact O-CB 3.23Å; S60-R64 PolarHBondContact O-N 3.04Å |
| 61 | L | 79 | Confident | 75.6 | Confident | 81 Ų | 81 | 105.2 Ų | 105.2 | 42% | 0.424 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 174.6 | -78.8 | 166.1 | 0 | 0 | 0 | 112.3 | S57 Q58 R64 R65 | S57-L61 WeakPolarHBondContact O-CB 3.32Å; S57-L61 WeakPolarHBondContact O-CD1 3.17Å; S57-L61 VanDerWaalsContact O-CG 3.23Å; S57-L61 WeakPolarHBondContact O-CG 3.47Å; S57-L61 PolarHBondContact O-N 2.92Å; Q58-L61 PolarHBondContact O-N 3.45Å; L61-R64 PolarHBondContact O-N 3.36Å; L61-R65 WeakPolarHBondContact O-CB 3.48Å; L61-R65 WeakPolarHBondContact O-CG 3.35Å; L61-R65 PolarHBondContact O-N 2.91Å |
| 62 | Q | 82.9 | Confident | 76.7 | Confident | 104 Ų | 104 | 108 Ų | 108 | 49% | 0.486 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.4 | -42.3 | 175.6 | -76.7 | 179.6 | 10.8 | 0 | 0 | 111.5 | Q58 K59 R64 R65 K66 | Q58-Q62 VanDerWaalsContact O-CB 3.27Å; Q58-Q62 WeakPolarHBondContact O-CB 3.24Å; Q58-Q62 WeakPolarHBondContact O-CG 3.21Å; Q58-Q62 PolarHBondContact O-N 3.41Å; K59-Q62 PolarHBondContact O-N 3.39Å; Q62-R64 VanDerWaalsContact C-N 3.32Å; Q62-R64 PolarHBondContact O-N 2.87Å; Q62-R65 PolarHBondContact O-N 2.89Å; Q62-K66 PolarHBondContact O-N 3.07Å |
| 63 | A | 81.9 | Confident | 78.1 | Confident | 62 Ų | 62 | 106.6 Ų | 106.6 | 51% | 0.512 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.4 | -43.5 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | K59 S60 K67 | K59-A63 WeakPolarHBondContact O-CB 3.08Å; K59-A63 PolarHBondContact O-N 3.23Å; S60-A63 PolarHBondContact O-N 3.32Å; A63-K67 PolarHBondContact O-N 3.41Å |
| 64 | R | 85.4 | Confident | 79.6 | Confident | 176 Ų | 176 | 108.3 Ų | 108.3 | 66% | 0.664 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -65.4 | -42.4 | 175.5 | -175.5 | 174.8 | 172.5 | 171.4 | -2.2 | 112.9 | S60 L61 Q62 K67 L68 | S60-R64 WeakPolarHBondContact O-CB 3.23Å; S60-R64 PolarHBondContact O-N 3.04Å; L61-R64 PolarHBondContact O-N 3.36Å; Q62-R64 VanDerWaalsContact C-N 3.32Å; Q62-R64 PolarHBondContact O-N 2.87Å; R64-K67 PolarHBondContact O-N 2.91Å; R64-L68 HydrophobicContact CG-CD1 4.15Å; R64-L68 WeakPolarHBondContact O-CG 3.4Å; R64-L68 PolarHBondContact O-N 2.84Å |
| 65 | R | 88.1 | Confident | 80.7 | Confident | 170 Ų | 170 | 108.3 Ų | 108.3 | 64% | 0.642 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 177.1 | -77.9 | 175.2 | -179.4 | 177.1 | 0.9 | 112 | L61 Q62 K67 L68 L69 | L61-R65 WeakPolarHBondContact O-CB 3.48Å; L61-R65 WeakPolarHBondContact O-CG 3.35Å; L61-R65 PolarHBondContact O-N 2.91Å; Q62-R65 PolarHBondContact O-N 2.89Å; R65-K67 PolarHBondContact O-N 3.49Å; R65-L68 PolarHBondContact O-N 3.34Å; R65-L69 WeakPolarHBondContact O-CG 3.39Å; R65-L69 PolarHBondContact O-N 3.14Å |
| 66 | K | 87 | Confident | 81.6 | Confident | 152 Ų | 152 | 107.3 Ų | 107.3 | 66% | 0.661 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -59.8 | -44.8 | 175.4 | -75.3 | -175.7 | 178.5 | -177.6 | 0 | 111.9 | Q62 L68 L69 Q70 | Q62-K66 PolarHBondContact O-N 3.07Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 3.42Å; K66-L69 PolarHBondContact O-N 3.44Å; K66-Q70 PolarHBondContact O-N 2.97Å; K66-Q70 VanDerWaalsContact O-N 3.1Å |
| 67 | K | 87.7 | Confident | 82.5 | Confident | 149 Ų | 149 | 105.4 Ų | 105.4 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -62.7 | -38.5 | 177.7 | -169.8 | 172.8 | -177.9 | 176.1 | 0 | 112.6 | A63 R64 R65 L71 | A63-K67 PolarHBondContact O-N 3.41Å; R64-K67 PolarHBondContact O-N 2.91Å; R65-K67 PolarHBondContact O-N 3.49Å; K67-L71 PolarHBondContact O-N 2.9Å |
| 68 | L | 86.6 | Confident | 83 | Confident | 88 Ų | 88 | 108 Ų | 108 | 46% | 0.461 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -72.1 | -37.9 | 177.4 | -73.6 | 170.6 | 0 | 0 | 0 | 113 | R64 R65 K66 Q70 L71 L72 | R64-L68 HydrophobicContact CG-CD1 4.15Å; R64-L68 WeakPolarHBondContact O-CG 3.4Å; R64-L68 PolarHBondContact O-N 2.84Å; R65-L68 PolarHBondContact O-N 3.34Å; K66-L68 VanDerWaalsContact C-N 3.34Å; K66-L68 PolarHBondContact O-N 3.42Å; L68-Q70 VanDerWaalsContact C-N 3.35Å; L68-L71 PolarHBondContact O-N 2.83Å; L68-L72 PolarHBondContact O-N 3.34Å |
| 69 | L | 87.3 | Confident | 83.3 | Confident | 104 Ų | 104 | 110 Ų | 110 | 55% | 0.545 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -60.9 | -44.6 | 173.8 | -77.6 | 169.7 | 0 | 0 | 0 | 111.3 | R65 K66 L71 L72 E73 | R65-L69 WeakPolarHBondContact O-CG 3.39Å; R65-L69 PolarHBondContact O-N 3.14Å; K66-L69 PolarHBondContact O-N 3.44Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.09Å; L69-L72 PolarHBondContact O-N 3.45Å; L69-E73 PolarHBondContact O-N 2.98Å |
| 70 | Q | 86.2 | Confident | 83.1 | Confident | 126 Ų | 126 | 107.8 Ų | 107.8 | 59% | 0.589 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.1 | -42 | 174.5 | -101.1 | -178.6 | -26.5 | 0 | 0 | 112.9 | K66 L68 N74 | K66-Q70 PolarHBondContact O-N 2.97Å; K66-Q70 VanDerWaalsContact O-N 3.1Å; L68-Q70 VanDerWaalsContact C-N 3.35Å; Q70-N74 WeakPolarHBondContact O-CB 3.49Å; Q70-N74 PolarHBondContact O-N 2.94Å; Q70-N74 VanDerWaalsContact O-N 3.09Å; Q70-N74 PolarHBondContact O-ND2 2.97Å; Q70-N74 PolarHBondContact O-OD1 2.89Å |
| 71 | L | 86.7 | Confident | 83.2 | Confident | 93 Ų | 93 | 107.9 Ų | 107.9 | 49% | 0.487 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.5 | -40.5 | 176.9 | -75.6 | 167.3 | 0 | 0 | 0 | 112.1 | K67 L68 L69 N74 D75 | K67-L71 PolarHBondContact O-N 2.9Å; L68-L71 PolarHBondContact O-N 2.83Å; L69-L71 VanDerWaalsContact C-N 3.32Å; L69-L71 PolarHBondContact O-N 3.09Å; L71-N74 PolarHBondContact O-N 3.41Å; L71-D75 WeakPolarHBondContact O-CB 3.28Å; L71-D75 PolarHBondContact O-N 3.38Å |
| 72 | L | 85.5 | Confident | 82.9 | Confident | 114 Ų | 114 | 108.4 Ų | 108.4 | 60% | 0.597 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.1 | -39.3 | 177.9 | -85.8 | 162 | 0 | 0 | 0 | 113.1 | L68 L69 D75 A76 | L68-L72 PolarHBondContact O-N 3.34Å; L69-L72 PolarHBondContact O-N 3.45Å; L72-D75 PolarHBondContact O-N 3.27Å; L72-A76 VanDerWaalsContact O-CB 3.29Å; L72-A76 WeakPolarHBondContact O-CB 3.43Å; L72-A76 PolarHBondContact O-N 2.89Å |
| 73 | E | 85.9 | Confident | 82.4 | Confident | 121 Ų | 121 | 109.1 Ų | 109.1 | 57% | 0.565 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -62.3 | -46.6 | 173.3 | -77.9 | 174.5 | 169.8 | 0 | 0 | 110.5 | L69 D75 A76 E77 | L69-E73 PolarHBondContact O-N 2.98Å; E73-D75 VanDerWaalsContact C-N 3.34Å; E73-D75 PolarHBondContact O-N 2.83Å; E73-A76 PolarHBondContact O-N 2.95Å; E73-E77 WeakPolarHBondContact O-CG 3.26Å; E73-E77 PolarHBondContact O-N 2.88Å |
| 74 | N | 84.2 | Confident | 82 | Confident | 86 Ų | 86 | 111.9 Ų | 111.9 | 46% | 0.46 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -59.3 | -43.7 | 175.5 | -71.7 | -6.8 | 0 | 0 | 0 | 111.9 | Q70 L71 N78 | Q70-N74 WeakPolarHBondContact O-CB 3.49Å; Q70-N74 PolarHBondContact O-N 2.94Å; Q70-N74 VanDerWaalsContact O-N 3.09Å; Q70-N74 PolarHBondContact O-ND2 2.97Å; Q70-N74 PolarHBondContact O-OD1 2.89Å; L71-N74 PolarHBondContact O-N 3.41Å; N74-N78 WeakPolarHBondContact O-CB 3.33Å; N74-N78 PolarHBondContact O-N 3.48Å; N74-N78 PolarHBondContact O-ND2 3.2Å; N74-N78 VanDerWaalsContact O-ND2 3.11Å |
| 75 | D | 81 | Confident | 80.8 | Confident | 98 Ų | 98 | 104.7 Ų | 104.7 | 52% | 0.524 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.8 | -39.3 | 177.9 | -80.4 | -10.6 | 0 | 0 | 0 | 112.4 | L71 L72 E73 N78 E79 | L71-D75 WeakPolarHBondContact O-CB 3.28Å; L71-D75 PolarHBondContact O-N 3.38Å; L72-D75 PolarHBondContact O-N 3.27Å; E73-D75 VanDerWaalsContact C-N 3.34Å; E73-D75 PolarHBondContact O-N 2.83Å; D75-N78 WeakPolarHBondContact O-CB 3.49Å; D75-N78 PolarHBondContact O-N 3.47Å; D75-E79 PolarHBondContact O-N 3.48Å |
| 76 | A | 80.1 | Confident | 79.8 | Confident | 56 Ų | 56 | 104.6 Ų | 104.6 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -40.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | L72 E73 N78 E79 C80 | L72-A76 VanDerWaalsContact O-CB 3.29Å; L72-A76 WeakPolarHBondContact O-CB 3.43Å; L72-A76 PolarHBondContact O-N 2.89Å; E73-A76 PolarHBondContact O-N 2.95Å; A76-N78 VanDerWaalsContact C-N 3.33Å; A76-E79 PolarHBondContact O-N 2.94Å; A76-C80 VanDerWaalsContact O-CB 3.28Å; A76-C80 WeakPolarHBondContact O-CB 3.49Å; A76-C80 PolarHBondContact O-N 3.42Å |
| 77 | E | 80 | Confident | 78.6 | Confident | 121 Ų | 121 | 102.2 Ų | 102.2 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.5 | -42.9 | 171.5 | -75.2 | -174.5 | 177.2 | 0 | 0 | 111.1 | E73 C80 N81 | E73-E77 WeakPolarHBondContact O-CG 3.26Å; E73-E77 PolarHBondContact O-N 2.88Å; E77-C80 PolarHBondContact O-N 3.24Å; E77-N81 WeakPolarHBondContact O-CB 3.34Å; E77-N81 PolarHBondContact O-N 2.9Å; E77-N81 PolarHBondContact O-ND2 3.32Å; E77-N81 VanDerWaalsContact O-ND2 3.14Å |
| 78 | N | 80 | Confident | 77.2 | Confident | 91 Ų | 91 | 101.5 Ų | 101.5 | 49% | 0.487 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 175.9 | -72.8 | -28 | 0 | 0 | 0 | 112.4 | N74 D75 A76 N81 L82 | N74-N78 WeakPolarHBondContact O-CB 3.33Å; N74-N78 PolarHBondContact O-N 3.48Å; N74-N78 PolarHBondContact O-ND2 3.2Å; N74-N78 VanDerWaalsContact O-ND2 3.11Å; D75-N78 WeakPolarHBondContact O-CB 3.49Å; D75-N78 PolarHBondContact O-N 3.47Å; A76-N78 VanDerWaalsContact C-N 3.33Å; N78-N81 PolarHBondContact O-N 3.3Å; N78-L82 PolarHBondContact O-N 2.86Å |
| 79 | E | 78 | Confident | 75.7 | Confident | 135 Ų | 135 | 106.2 Ų | 106.2 | 63% | 0.631 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -66.3 | -42.6 | 175.1 | -85.2 | -164.5 | 153.1 | 0 | 0 | 112.6 | D75 A76 N81 L82 L83 | D75-E79 PolarHBondContact O-N 3.48Å; A76-E79 PolarHBondContact O-N 2.94Å; E79-N81 VanDerWaalsContact C-N 3.27Å; E79-N81 PolarHBondContact O-N 3.42Å; E79-L82 CarbonylContact O-C 3.55Å; E79-L82 WeakPolarHBondContact O-CA 3.4Å; E79-L82 VanDerWaalsContact O-CB 3.32Å; E79-L82 WeakPolarHBondContact O-CB 3.35Å; E79-L82 PolarHBondContact O-N 2.97Å; E79-L83 PolarHBondContact O-N 3.26Å |
| 80 | C | 74.4 | Confident | 74.1 | Confident | 63 Ų | 63 | 105.8 Ų | 105.8 | 43% | 0.426 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -62.1 | -39.1 | 177.8 | -155.8 | 0 | 0 | 0 | 0 | 110.8 | A76 E77 L82 L83 K84 | A76-C80 VanDerWaalsContact O-CB 3.28Å; A76-C80 WeakPolarHBondContact O-CB 3.49Å; A76-C80 PolarHBondContact O-N 3.42Å; E77-C80 PolarHBondContact O-N 3.24Å; C80-L82 VanDerWaalsContact C-N 3.32Å; C80-L82 PolarHBondContact O-N 2.98Å; C80-L83 PolarHBondContact O-N 3.47Å; C80-K84 WeakPolarHBondContact O-CG 3.3Å; C80-K84 PolarHBondContact O-N 3.36Å |
| 81 | N | 78 | Confident | 72.6 | Confident | 75 Ų | 75 | 108.5 Ų | 108.5 | 40% | 0.401 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.1 | -29.5 | 172.5 | -70.7 | -25.7 | 0 | 0 | 0 | 112.9 | E77 N78 E79 A85 | E77-N81 WeakPolarHBondContact O-CB 3.34Å; E77-N81 PolarHBondContact O-N 2.9Å; E77-N81 PolarHBondContact O-ND2 3.32Å; E77-N81 VanDerWaalsContact O-ND2 3.14Å; N78-N81 PolarHBondContact O-N 3.3Å; E79-N81 VanDerWaalsContact C-N 3.27Å; E79-N81 PolarHBondContact O-N 3.42Å; N81-A85 WeakPolarHBondContact O-CB 3.25Å; N81-A85 PolarHBondContact O-N 3.44Å |
| 82 | L | 74.4 | Confident | 71.1 | Confident | 92 Ų | 92 | 108.4 Ų | 108.4 | 48% | 0.482 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -73.3 | -43 | 172.3 | -99 | 151 | 0 | 0 | 0 | 112.2 | N78 E79 C80 A85 Y86 | N78-L82 PolarHBondContact O-N 2.86Å; E79-L82 CarbonylContact O-C 3.55Å; E79-L82 WeakPolarHBondContact O-CA 3.4Å; E79-L82 VanDerWaalsContact O-CB 3.32Å; E79-L82 WeakPolarHBondContact O-CB 3.35Å; E79-L82 PolarHBondContact O-N 2.97Å; C80-L82 VanDerWaalsContact C-N 3.32Å; C80-L82 PolarHBondContact O-N 2.98Å; L82-A85 WeakPolarHBondContact O-CA 3.45Å; L82-A85 VanDerWaalsContact O-CB 3.25Å; L82-A85 WeakPolarHBondContact O-CB 3.29Å; L82-A85 PolarHBondContact O-N 2.81Å; L82-A85 VanDerWaalsContact O-N 3.12Å; L82-Y86 HydrophobicContact CD2-CE2 4.27Å; L82-Y86 VanDerWaalsContact O-CD2 3.26Å; L82-Y86 WeakPolarHBondContact O-CD2 3.27Å; L82-Y86 PolarHBondContact O-N 3.43Å |
| 83 | L | 72.6 | Confident | 69.9 | Low | 120 Ų | 120 | 111.7 Ų | 111.7 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -66.4 | -42.9 | 178.2 | -72.9 | 173.7 | 0 | 0 | 0 | 112.3 | E79 C80 A85 Y86 S87 | E79-L83 PolarHBondContact O-N 3.26Å; C80-L83 PolarHBondContact O-N 3.47Å; L83-A85 PolarHBondContact O-N 2.73Å; L83-Y86 PolarHBondContact O-N 2.98Å; L83-Y86 VanDerWaalsContact O-N 3.16Å; L83-S87 PolarHBondContact O-N 3.27Å; L83-S87 VanDerWaalsContact O-N 3.14Å |
| 84 | K | 72.9 | Confident | 68.8 | Low | 120 Ų | 120 | 109.7 Ų | 109.7 | 52% | 0.522 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -56 | -39.7 | 169.8 | -74 | 176.1 | -176 | 172.2 | 0 | 111.1 | C80 Y86 S87 E88 | C80-K84 WeakPolarHBondContact O-CG 3.3Å; C80-K84 PolarHBondContact O-N 3.36Å; K84-Y86 PolarHBondContact O-N 3.14Å; K84-S87 WeakPolarHBondContact O-CB 3.18Å; K84-S87 PolarHBondContact O-N 3.49Å; K84-E88 PolarHBondContact O-N 3.49Å; K84-E88 VanDerWaalsContact O-N 3.08Å |
| 85 | A | 59.5 | Low | 67.5 | Low | 25 Ų | 25 | 108.3 Ų | 108.3 | 21% | 0.207 | 57% | 0.571 | C | S | . | * | H | α-helix | trans | -65.4 | -35.7 | 178 | 0 | 0 | 0 | 0 | 0 | 113.4 | N81 L82 L83 Y89 R99 | N81-A85 WeakPolarHBondContact O-CB 3.25Å; N81-A85 PolarHBondContact O-N 3.44Å; L82-A85 WeakPolarHBondContact O-CA 3.45Å; L82-A85 VanDerWaalsContact O-CB 3.25Å; L82-A85 WeakPolarHBondContact O-CB 3.29Å; L82-A85 PolarHBondContact O-N 2.81Å; L82-A85 VanDerWaalsContact O-N 3.12Å; L83-A85 PolarHBondContact O-N 2.73Å; A85-Y89 PolarHBondContact O-N 2.81Å; A85-R99 VanDerWaalsContact CB-NH1 3.26Å |
| 86 | Y | 67.8 | Low | 66.7 | Low | 168 Ų | 168 | 109.8 Ų | 109.8 | 66% | 0.659 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -68.7 | -35.2 | 173.6 | -77.5 | -68 | 0 | 0 | 0 | 112.4 | L82 L83 K84 Y89 | L82-Y86 HydrophobicContact CD2-CE2 4.27Å; L82-Y86 VanDerWaalsContact O-CD2 3.26Å; L82-Y86 WeakPolarHBondContact O-CD2 3.27Å; L82-Y86 PolarHBondContact O-N 3.43Å; L83-Y86 PolarHBondContact O-N 2.98Å; L83-Y86 VanDerWaalsContact O-N 3.16Å; K84-Y86 PolarHBondContact O-N 3.14Å; Y86-Y89 WeakPolarHBondContact O-CB 3.47Å; Y86-Y89 PolarHBondContact O-N 3.24Å |
| 87 | S | 61.8 | Low | 66.1 | Low | 101 Ų | 101 | 112.9 Ų | 112.9 | 71% | 0.706 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -66.5 | -37.8 | 175.6 | 176.8 | 0 | 0 | 0 | 0 | 112.8 | L83 K84 | L83-S87 PolarHBondContact O-N 3.27Å; L83-S87 VanDerWaalsContact O-N 3.14Å; K84-S87 WeakPolarHBondContact O-CB 3.18Å; K84-S87 PolarHBondContact O-N 3.49Å |
| 88 | E | 58.5 | Low | 65.6 | Low | 134 Ų | 134 | 112.8 Ų | 112.8 | 63% | 0.626 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -81.6 | -13.5 | -179.5 | -71.4 | 176.7 | -176.5 | 0 | 0 | 113.8 | K84 S90 K91 | K84-E88 PolarHBondContact O-N 3.49Å; K84-E88 VanDerWaalsContact O-N 3.08Å; E88-S90 PolarHBondContact O-N 3.39Å; E88-K91 PolarHBondContact O-N 3.21Å |
| 89 | Y | 54.6 | Low | 64.7 | Low | 187 Ų | 187 | 114.1 Ų | 114.1 | 73% | 0.733 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.5 | -19.1 | -176.3 | -158.5 | -94.1 | 0 | 0 | 0 | 113.7 | A85 Y86 | A85-Y89 PolarHBondContact O-N 2.81Å; Y86-Y89 WeakPolarHBondContact O-CB 3.47Å; Y86-Y89 PolarHBondContact O-N 3.24Å |
| 90 | S | 54.7 | Low | 64.5 | Low | 95 Ų | 95 | 110.7 Ų | 110.7 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.7 | -22.2 | 179 | 178.5 | 0 | 0 | 0 | 0 | 115.2 | E88 | E88-S90 PolarHBondContact O-N 3.39Š|
| 91 | K | 53.8 | Low | 64.6 | Low | 183 Ų | 183 | 111.4 Ų | 111.4 | 80% | 0.796 | 58% | 0.578 | S | S | * | * | S | Bend | trans | -151.8 | 71.6 | -164.7 | -56.7 | -178.4 | -173.4 | 173.2 | 0 | 116.1 | E88 | E88-K91 PolarHBondContact O-N 3.21Š|
| 92 | S | 55.1 | Low | 64.5 | Low | 92 Ų | 92 | 110.1 Ų | 110.1 | 64% | 0.643 | 58% | 0.578 | S | S | * | * | trans | 148.5 | 131.5 | 140.2 | -174.5 | 0 | 0 | 0 | 0 | 115.1 | S94 | S92-S94 PolarHBondContact O-N 2.92Š| ||
| 93 | K | 61.2 | Low | 64.7 | Low | 183 Ų | 183 | 110 Ų | 110 | 80% | 0.796 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -70.6 | -21.8 | -177.7 | -165.8 | 176.6 | -177.3 | 179.4 | 0 | 114.6 | ||
| 94 | S | 61.8 | Low | 64.8 | Low | 78 Ų | 78 | 110.2 Ų | 110.2 | 55% | 0.545 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.3 | -38.1 | -175.1 | 169.3 | 0 | 0 | 0 | 0 | 113.3 | S92 M96 L97 | S92-S94 PolarHBondContact O-N 2.92Å; S94-M96 VanDerWaalsContact C-N 3.27Å; S94-M96 PolarHBondContact O-N 2.93Å; S94-L97 PolarHBondContact O-N 2.94Å |
| 95 | A | 58.4 | Low | 65.1 | Low | 58 Ų | 58 | 111.3 Ų | 111.3 | 48% | 0.479 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.8 | -30.9 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | L97 R99 | A95-L97 PolarHBondContact O-N 3.4Å; A95-R99 PolarHBondContact O-N 3.5Å |
| 96 | M | 62.2 | Low | 66 | Low | 129 Ų | 129 | 115.7 Ų | 115.7 | 64% | 0.635 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65 | -36.7 | -179.8 | -167.6 | -178.6 | -73.9 | 0 | 0 | 112.9 | S94 S100 | S94-M96 VanDerWaalsContact C-N 3.27Å; S94-M96 PolarHBondContact O-N 2.93Å; M96-S100 PolarHBondContact O-N 3.09Å |
| 97 | L | 68.5 | Low | 66.6 | Low | 121 Ų | 121 | 114.3 Ų | 114.3 | 63% | 0.634 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -68.9 | -48.5 | -179.2 | -84.2 | 165.8 | 0 | 0 | 0 | 112.1 | S94 A95 R99 S100 T101 | S94-L97 PolarHBondContact O-N 2.94Å; A95-L97 PolarHBondContact O-N 3.4Å; L97-R99 PolarHBondContact O-N 3.5Å; L97-S100 PolarHBondContact O-N 3.28Å; L97-S100 VanDerWaalsContact O-N 3.15Å; L97-S100 PolarHBondContact O-OG 2.91Å; L97-T101 PolarHBondContact O-N 3.47Å |
| 98 | I | 70 | Confident | 67.5 | Low | 118 Ų | 118 | 113.3 Ų | 113.3 | 61% | 0.605 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -59.7 | -35.3 | -179.9 | -60.2 | 173.1 | 0 | 0 | 0 | 111.3 | T101 A102 | I98-T101 PolarHBondContact O-OG1 3.42Å; I98-A102 PolarHBondContact O-N 3.38Å |
| 99 | R | 61.5 | Low | 68.6 | Low | 119 Ų | 119 | 109.6 Ų | 109.6 | 45% | 0.449 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -74.7 | -36.3 | 178.4 | -167.6 | 176.2 | -179.3 | -176.1 | 2.3 | 112.9 | A85 A95 L97 T101 A102 L103 | A85-R99 VanDerWaalsContact CB-NH1 3.26Å; A95-R99 PolarHBondContact O-N 3.5Å; L97-R99 PolarHBondContact O-N 3.5Å; R99-T101 PolarHBondContact O-N 3.41Å; R99-A102 PolarHBondContact O-N 2.89Å; R99-L103 PolarHBondContact O-N 2.96Å; R99-L103 VanDerWaalsContact O-N 3.13Å |
| 100 | S | 73.8 | Confident | 69.8 | Low | 63 Ų | 63 | 106.2 Ų | 106.2 | 44% | 0.441 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63 | -32.1 | 177.5 | 76.5 | 0 | 0 | 0 | 0 | 112.5 | M96 L97 K104 | M96-S100 PolarHBondContact O-N 3.09Å; L97-S100 PolarHBondContact O-N 3.28Å; L97-S100 VanDerWaalsContact O-N 3.15Å; L97-S100 PolarHBondContact O-OG 2.91Å; S100-K104 PolarHBondContact O-N 3.44Å |
| 101 | T | 76.2 | Confident | 71 | Confident | 78 Ų | 78 | 108.1 Ų | 108.1 | 48% | 0.479 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -72.4 | -43.1 | 175.3 | 49.1 | 0 | 0 | 0 | 0 | 111.5 | L97 I98 R99 K104 E105 | L97-T101 PolarHBondContact O-N 3.47Å; I98-T101 PolarHBondContact O-OG1 3.42Å; R99-T101 PolarHBondContact O-N 3.41Å; T101-K104 WeakPolarHBondContact O-CB 3.35Å; T101-K104 PolarHBondContact O-N 3.18Å; T101-K104 VanDerWaalsContact O-N 3.11Å; T101-E105 PolarHBondContact O-N 3.34Å; T101-E105 VanDerWaalsContact O-N 3.17Å |
| 102 | A | 75.5 | Confident | 72.4 | Confident | 49 Ų | 49 | 102.1 Ų | 102.1 | 41% | 0.405 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -61.6 | -46.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I98 R99 K104 E105 E106 | I98-A102 PolarHBondContact O-N 3.38Å; R99-A102 PolarHBondContact O-N 2.89Å; A102-K104 PolarHBondContact O-N 2.9Å; A102-K104 VanDerWaalsContact O-N 3.15Å; A102-E105 PolarHBondContact O-N 3.18Å; A102-E106 PolarHBondContact O-N 2.94Å; A102-E106 VanDerWaalsContact O-N 3.15Å |
| 103 | L | 77.6 | Confident | 73.8 | Confident | 90 Ų | 90 | 104.6 Ų | 104.6 | 47% | 0.471 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.6 | -15.9 | 176.1 | -75.1 | 173.3 | 0 | 0 | 0 | 113.8 | R99 R107 | R99-L103 PolarHBondContact O-N 2.96Å; R99-L103 VanDerWaalsContact O-N 3.13Å; L103-R107 PolarHBondContact O-NE 2.94Å; L103-R107 PolarHBondContact O-NH2 2.95Å |
| 104 | K | 76.5 | Confident | 74.9 | Confident | 124 Ų | 124 | 101.9 Ų | 101.9 | 54% | 0.539 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -82.1 | -44.3 | 173.8 | -169.7 | 171.4 | 176.5 | -176.8 | 0 | 110.5 | S100 T101 A102 E106 R107 D108 | S100-K104 PolarHBondContact O-N 3.44Å; T101-K104 WeakPolarHBondContact O-CB 3.35Å; T101-K104 PolarHBondContact O-N 3.18Å; T101-K104 VanDerWaalsContact O-N 3.11Å; A102-K104 PolarHBondContact O-N 2.9Å; A102-K104 VanDerWaalsContact O-N 3.15Å; K104-E106 PolarHBondContact O-N 3.39Å; K104-R107 PolarHBondContact O-N 3.22Å; K104-D108 VanDerWaalsContact O-CG 3.28Å; K104-D108 PolarHBondContact O-N 2.85Å |
| 105 | E | 77.6 | Confident | 75.9 | Confident | 142 Ų | 142 | 101 Ų | 101 | 66% | 0.664 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.8 | -41.7 | 176.4 | -68.5 | 174.4 | 173.1 | 0 | 0 | 112.5 | T101 A102 D108 S109 | T101-E105 PolarHBondContact O-N 3.34Å; T101-E105 VanDerWaalsContact O-N 3.17Å; A102-E105 PolarHBondContact O-N 3.18Å; E105-D108 PolarHBondContact O-N 3.43Å; E105-S109 PolarHBondContact O-N 2.9Å |
| 106 | E | 78.6 | Confident | 77.3 | Confident | 118 Ų | 118 | 104.4 Ų | 104.4 | 55% | 0.551 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -65.7 | -45.7 | 179.1 | -172.2 | 161.2 | -154.6 | 0 | 0 | 112.4 | A102 K104 D108 S109 E110 | A102-E106 PolarHBondContact O-N 2.94Å; A102-E106 VanDerWaalsContact O-N 3.15Å; K104-E106 PolarHBondContact O-N 3.39Å; E106-D108 VanDerWaalsContact C-N 3.25Å; E106-D108 PolarHBondContact O-N 3.41Å; E106-S109 WeakPolarHBondContact O-CB 3.5Å; E106-S109 PolarHBondContact O-N 3.35Å; E106-S109 VanDerWaalsContact O-N 3.09Å; E106-S109 PolarHBondContact O-OG 2.8Å; E106-E110 PolarHBondContact O-N 2.93Å |
| 107 | R | 80.8 | Confident | 78.4 | Confident | 138 Ų | 138 | 102.2 Ų | 102.2 | 52% | 0.521 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.6 | -34.8 | 173.4 | -83.4 | -177.7 | -68 | 145.7 | -0.8 | 112.5 | L103 K104 K111 | L103-R107 PolarHBondContact O-NE 2.94Å; L103-R107 PolarHBondContact O-NH2 2.95Å; K104-R107 PolarHBondContact O-N 3.22Å; R107-K111 VanDerWaalsContact O-CG 3.27Å; R107-K111 WeakPolarHBondContact O-CG 3.38Å; R107-K111 PolarHBondContact O-N 2.85Å |
| 108 | D | 81.5 | Confident | 79.3 | Confident | 81 Ų | 81 | 101.7 Ų | 101.7 | 43% | 0.433 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.6 | -30.7 | 177.3 | -69.1 | -20.6 | 0 | 0 | 0 | 111.2 | K104 E105 E106 A112 | K104-D108 VanDerWaalsContact O-CG 3.28Å; K104-D108 PolarHBondContact O-N 2.85Å; E105-D108 PolarHBondContact O-N 3.43Å; E106-D108 VanDerWaalsContact C-N 3.25Å; E106-D108 PolarHBondContact O-N 3.41Å; D108-A112 PolarHBondContact O-N 2.93Å; D108-A112 VanDerWaalsContact O-N 3.11Å |
| 109 | S | 80.1 | Confident | 80.1 | Confident | 55 Ų | 55 | 101.9 Ų | 101.9 | 39% | 0.385 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -71.4 | -39.9 | 174.9 | 82.6 | 0 | 0 | 0 | 0 | 114.1 | E105 E106 K111 A112 K113 | E105-S109 PolarHBondContact O-N 2.9Å; E106-S109 WeakPolarHBondContact O-CB 3.5Å; E106-S109 PolarHBondContact O-N 3.35Å; E106-S109 VanDerWaalsContact O-N 3.09Å; E106-S109 PolarHBondContact O-OG 2.8Å; S109-K111 VanDerWaalsContact C-N 3.35Å; S109-A112 WeakPolarHBondContact O-CB 3.31Å; S109-A112 PolarHBondContact O-N 2.73Å; S109-K113 PolarHBondContact O-N 3.5Å; S109-K113 VanDerWaalsContact O-N 3.11Å |
| 110 | E | 79.7 | Confident | 81.1 | Confident | 117 Ų | 117 | 101 Ų | 101 | 55% | 0.547 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -41.5 | 175.2 | -71.3 | -171 | 146.4 | 0 | 0 | 111.1 | E106 A112 K113 M114 | E106-E110 PolarHBondContact O-N 2.93Å; E110-A112 VanDerWaalsContact C-N 3.27Å; E110-A112 PolarHBondContact O-N 3.31Å; E110-K113 PolarHBondContact O-N 3.29Å; E110-M114 PolarHBondContact O-N 2.9Å |
| 111 | K | 81.1 | Confident | 81.7 | Confident | 134 Ų | 134 | 103.2 Ų | 103.2 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.7 | -37.8 | 174 | -73.7 | 173.8 | -174.5 | 173.7 | 0 | 111.8 | R107 S109 A115 | R107-K111 VanDerWaalsContact O-CG 3.27Å; R107-K111 WeakPolarHBondContact O-CG 3.38Å; R107-K111 PolarHBondContact O-N 2.85Å; S109-K111 VanDerWaalsContact C-N 3.35Å; K111-A115 WeakPolarHBondContact O-CB 3.37Å; K111-A115 PolarHBondContact O-N 3.34Å |
| 112 | A | 83.3 | Confident | 82.1 | Confident | 57 Ų | 57 | 104.9 Ų | 104.9 | 47% | 0.471 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65 | -43.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | D108 S109 E110 A115 E116 | D108-A112 PolarHBondContact O-N 2.93Å; D108-A112 VanDerWaalsContact O-N 3.11Å; S109-A112 WeakPolarHBondContact O-CB 3.31Å; S109-A112 PolarHBondContact O-N 2.73Å; E110-A112 VanDerWaalsContact C-N 3.27Å; E110-A112 PolarHBondContact O-N 3.31Å; A112-A115 WeakPolarHBondContact O-CB 3.09Å; A112-A115 PolarHBondContact O-N 3.05Å; A112-E116 PolarHBondContact O-N 3.41Å |
| 113 | K | 84.7 | Confident | 82.5 | Confident | 145 Ų | 145 | 107.6 Ų | 107.6 | 63% | 0.63 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 176.5 | -71.7 | 177.8 | -177.7 | 170.5 | 0 | 112.7 | S109 E110 A115 E116 T117 | S109-K113 PolarHBondContact O-N 3.5Å; S109-K113 VanDerWaalsContact O-N 3.11Å; E110-K113 PolarHBondContact O-N 3.29Å; K113-A115 VanDerWaalsContact C-N 3.29Å; K113-A115 PolarHBondContact O-N 3.34Å; K113-E116 PolarHBondContact O-N 2.86Å; K113-T117 PolarHBondContact O-N 2.98Å; K113-T117 PolarHBondContact O-OG1 3.35Å |
| 114 | M | 82.8 | Confident | 82.8 | Confident | 125 Ų | 125 | 109.4 Ų | 109.4 | 62% | 0.616 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -60 | -42.5 | 174.4 | -99.6 | -169.5 | -118.8 | 0 | 0 | 111.3 | E110 E116 T117 L118 | E110-M114 PolarHBondContact O-N 2.9Å; M114-E116 VanDerWaalsContact C-N 3.34Å; M114-E116 PolarHBondContact O-N 2.86Å; M114-T117 PolarHBondContact O-N 2.74Å; M114-T117 PolarHBondContact O-OG1 2.91Å; M114-L118 WeakPolarHBondContact O-CG 3.35Å; M114-L118 PolarHBondContact O-N 2.83Å; M114-L118 VanDerWaalsContact O-N 3.14Å |
| 115 | A | 84.6 | Confident | 83.1 | Confident | 59 Ų | 59 | 110.8 Ų | 110.8 | 49% | 0.488 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -41.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | K111 A112 K113 L118 L119 | K111-A115 WeakPolarHBondContact O-CB 3.37Å; K111-A115 PolarHBondContact O-N 3.34Å; A112-A115 WeakPolarHBondContact O-CB 3.09Å; A112-A115 PolarHBondContact O-N 3.05Å; K113-A115 VanDerWaalsContact C-N 3.29Å; K113-A115 PolarHBondContact O-N 3.34Å; A115-L118 PolarHBondContact O-N 2.92Å; A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 PolarHBondContact O-N 3.48Å |
| 116 | E | 86.1 | Confident | 83.4 | Confident | 130 Ų | 130 | 108.8 Ų | 108.8 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -64 | -44.9 | 177.3 | -171.5 | 177.4 | -169.2 | 0 | 0 | 112.8 | A112 K113 M114 L118 L119 M120 | A112-E116 PolarHBondContact O-N 3.41Å; K113-E116 PolarHBondContact O-N 2.86Å; M114-E116 VanDerWaalsContact C-N 3.34Å; M114-E116 PolarHBondContact O-N 2.86Å; E116-L118 PolarHBondContact O-N 3.47Å; E116-L119 WeakPolarHBondContact O-CB 3.43Å; E116-L119 PolarHBondContact O-N 3.23Å; E116-M120 PolarHBondContact O-N 3.43Å |
| 117 | T | 86.5 | Confident | 83.4 | Confident | 84 Ų | 84 | 105.8 Ų | 105.8 | 52% | 0.515 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -62.6 | -41.5 | 177.6 | 49.8 | 0 | 0 | 0 | 0 | 112.8 | K113 M114 L119 M120 E121 | K113-T117 PolarHBondContact O-N 2.98Å; K113-T117 PolarHBondContact O-OG1 3.35Å; M114-T117 PolarHBondContact O-N 2.74Å; M114-T117 PolarHBondContact O-OG1 2.91Å; T117-L119 VanDerWaalsContact C-N 3.31Å; T117-L119 PolarHBondContact O-N 3.49Å; T117-M120 PolarHBondContact O-N 3.46Å; T117-E121 PolarHBondContact O-N 3.43Å |
| 118 | L | 86.9 | Confident | 83.4 | Confident | 109 Ų | 109 | 102.5 Ų | 102.5 | 57% | 0.571 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -66.6 | -37 | 176.5 | -72.5 | 171.3 | 0 | 0 | 0 | 110.9 | M114 A115 E116 M120 H122 | M114-L118 WeakPolarHBondContact O-CG 3.35Å; M114-L118 PolarHBondContact O-N 2.83Å; M114-L118 VanDerWaalsContact O-N 3.14Å; A115-L118 PolarHBondContact O-N 2.92Å; E116-L118 PolarHBondContact O-N 3.47Å; L118-M120 VanDerWaalsContact C-N 3.33Å; L118-M120 PolarHBondContact O-N 3.21Å; L118-H122 WeakPolarHBondContact O-CB 3.31Å; L118-H122 PolarHBondContact O-N 3.04Å |
| 119 | L | 86 | Confident | 83.5 | Confident | 122 Ų | 122 | 104.1 Ų | 104.1 | 64% | 0.639 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -40.8 | 173.9 | -164.8 | 75.9 | 0 | 0 | 0 | 111.5 | A115 E116 T117 H122 F123 | A115-L119 WeakPolarHBondContact O-CB 3.43Å; A115-L119 PolarHBondContact O-N 3.48Å; E116-L119 WeakPolarHBondContact O-CB 3.43Å; E116-L119 PolarHBondContact O-N 3.23Å; T117-L119 VanDerWaalsContact C-N 3.31Å; T117-L119 PolarHBondContact O-N 3.49Å; L119-H122 PolarHBondContact O-N 2.84Å; L119-F123 WeakPolarHBondContact O-CB 3.48Å; L119-F123 PolarHBondContact O-N 3.41Å |
| 120 | M | 84.3 | Confident | 83.7 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 50% | 0.498 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.1 | -42.7 | 177.7 | -73.8 | -60.8 | -67.9 | 0 | 0 | 113.3 | E116 T117 L118 H122 F123 K124 | E116-M120 PolarHBondContact O-N 3.43Å; T117-M120 PolarHBondContact O-N 3.46Å; L118-M120 VanDerWaalsContact C-N 3.33Å; L118-M120 PolarHBondContact O-N 3.21Å; M120-H122 VanDerWaalsContact C-N 3.31Å; M120-F123 WeakPolarHBondContact O-CB 3.36Å; M120-F123 PolarHBondContact O-N 2.9Å; M120-K124 WeakPolarHBondContact O-CG 3.32Å; M120-K124 PolarHBondContact O-N 3.32Å |
| 121 | E | 86.4 | Confident | 84 | Confident | 110 Ų | 110 | 103.4 Ų | 103.4 | 51% | 0.514 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -41.1 | 173.2 | -72.7 | -170.9 | 169.9 | 0 | 0 | 111.6 | T117 F123 K124 K125 | T117-E121 PolarHBondContact O-N 3.43Å; E121-F123 VanDerWaalsContact C-N 3.33Å; E121-K124 PolarHBondContact O-N 3.18Å; E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.06Å |
| 122 | H | 84.1 | Confident | 84.1 | Confident | 112 Ų | 112 | 101 Ų | 101 | 52% | 0.519 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 174.5 | -168.8 | -104.8 | 0 | 0 | 0 | 111.3 | L118 L119 M120 K125 N126 | L118-H122 WeakPolarHBondContact O-CB 3.31Å; L118-H122 PolarHBondContact O-N 3.04Å; L119-H122 PolarHBondContact O-N 2.84Å; M120-H122 VanDerWaalsContact C-N 3.31Å; H122-K125 PolarHBondContact O-N 2.92Å; H122-N126 PolarHBondContact CE1-ND2 3.49Å; H122-N126 PolarHBondContact ND1-ND2 2.9Å; H122-N126 PolarHBondContact NE2-ND2 2.89Å; H122-N126 VanDerWaalsContact O-CB 3.3Å; H122-N126 WeakPolarHBondContact O-CB 3.44Å; H122-N126 PolarHBondContact O-N 3.33Å |
| 123 | F | 83.7 | Confident | 84.3 | Confident | 107 Ų | 107 | 104.6 Ų | 104.6 | 47% | 0.469 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.7 | -46.7 | 173.4 | -176.9 | -86.3 | 0 | 0 | 0 | 111.6 | L119 M120 E121 K125 N126 N127 V130 | L119-F123 WeakPolarHBondContact O-CB 3.48Å; L119-F123 PolarHBondContact O-N 3.41Å; M120-F123 WeakPolarHBondContact O-CB 3.36Å; M120-F123 PolarHBondContact O-N 2.9Å; E121-F123 VanDerWaalsContact C-N 3.33Å; F123-K125 VanDerWaalsContact C-N 3.31Å; F123-K125 PolarHBondContact O-N 2.9Å; F123-N126 PolarHBondContact O-N 3.47Å; F123-N127 WeakPolarHBondContact CD1-ND2 3.37Å; F123-N127 WeakPolarHBondContact CD2-ND2 3.36Å; F123-N127 HydrophobicContact CE1-CB 4.42Å; F123-N127 WeakPolarHBondContact CE2-ND2 3.44Å; F123-N127 WeakPolarHBondContact CG-ND2 3.44Å; F123-N127 HydrophobicContact CZ-CB 4.45Å; F123-N127 VanDerWaalsContact CZ-ND2 3.34Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.5Å; F123-N127 WeakPolarHBondContact O-CB 3.37Å; F123-N127 PolarHBondContact O-N 3.33Å; F123-N127 PolarHBondContact O-ND2 2.92Å; F123-V130 HydrophobicContact CE1-CG2 4.27Å |
| 124 | K | 84.6 | Confident | 84.3 | Confident | 128 Ų | 128 | 102.8 Ų | 102.8 | 56% | 0.557 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -62.7 | -35.5 | 177.6 | -72 | 179.2 | 179.1 | -175.7 | 0 | 113 | M120 E121 V130 | M120-K124 WeakPolarHBondContact O-CG 3.32Å; M120-K124 PolarHBondContact O-N 3.32Å; E121-K124 PolarHBondContact O-N 3.18Å; K124-V130 HydrophobicContact CB-CG1 4.39Å; K124-V130 HydrophobicContact CG-CG1 4.3Å |
| 125 | K | 82.7 | Confident | 84.5 | Confident | 152 Ų | 152 | 103.8 Ų | 103.8 | 66% | 0.661 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -77.8 | -37.4 | 179.1 | -74.1 | 177.6 | -179.7 | 172.2 | 0 | 113 | E121 H122 F123 | E121-K125 WeakPolarHBondContact O-CG 3.44Å; E121-K125 PolarHBondContact O-N 3.06Å; H122-K125 PolarHBondContact O-N 2.92Å; F123-K125 VanDerWaalsContact C-N 3.31Å; F123-K125 PolarHBondContact O-N 2.9Å |
| 126 | N | 83 | Confident | 84.7 | Confident | 100 Ų | 100 | 103.1 Ų | 103.1 | 54% | 0.535 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -94.6 | -23.8 | -172.2 | -70.1 | -3.7 | 0 | 0 | 0 | 114.3 | H122 F123 P128 | H122-N126 PolarHBondContact CE1-ND2 3.49Å; H122-N126 PolarHBondContact ND1-ND2 2.9Å; H122-N126 PolarHBondContact NE2-ND2 2.89Å; H122-N126 VanDerWaalsContact O-CB 3.3Å; H122-N126 WeakPolarHBondContact O-CB 3.44Å; H122-N126 PolarHBondContact O-N 3.33Å; F123-N126 PolarHBondContact O-N 3.47Å; N126-P128 WeakPolarHBondContact O-CD 3.43Å |
| 127 | N | 79.8 | Confident | 84.7 | Confident | 55 Ų | 55 | 99.2 Ų | 99.2 | 29% | 0.294 | 50% | 0.5 | S | S | . | . | trans | -78.5 | 121.1 | 175.1 | -73.6 | -82 | 0 | 0 | 0 | 110.3 | F123 D129 V130 | F123-N127 WeakPolarHBondContact CD1-ND2 3.37Å; F123-N127 WeakPolarHBondContact CD2-ND2 3.36Å; F123-N127 HydrophobicContact CE1-CB 4.42Å; F123-N127 WeakPolarHBondContact CE2-ND2 3.44Å; F123-N127 WeakPolarHBondContact CG-ND2 3.44Å; F123-N127 HydrophobicContact CZ-CB 4.45Å; F123-N127 VanDerWaalsContact CZ-ND2 3.34Å; F123-N127 WeakPolarHBondContact CZ-ND2 3.5Å; F123-N127 WeakPolarHBondContact O-CB 3.37Å; F123-N127 PolarHBondContact O-N 3.33Å; F123-N127 PolarHBondContact O-ND2 2.92Å; N127-D129 PolarHBondContact O-N 3.16Å; N127-V130 HydrophobicContact CB-CG2 4.29Å | ||
| 128 | P | 79.7 | Confident | 84.6 | Confident | 69 Ų | 69 | 99.4 Ų | 99.4 | 45% | 0.448 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -41.6 | -176.9 | 22 | -30.7 | 0 | 0 | 0 | 112.7 | N126 V130 R131 D132 | N126-P128 WeakPolarHBondContact O-CD 3.43Å; P128-V130 VanDerWaalsContact C-N 3.33Å; P128-V130 PolarHBondContact O-N 3.35Å; P128-R131 WeakPolarHBondContact O-CB 3.5Å; P128-R131 PolarHBondContact O-N 3.3Å; P128-R131 VanDerWaalsContact O-N 3.1Å; P128-D132 PolarHBondContact O-N 2.98Å; P128-D132 VanDerWaalsContact O-N 3.13Å |
| 129 | D | 84.4 | Confident | 84.6 | Confident | 115 Ų | 115 | 100.7 Ų | 100.7 | 62% | 0.615 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -59.6 | -40.6 | -176 | -59.5 | -13.4 | 0 | 0 | 0 | 112.9 | N127 R131 M133 | N127-D129 PolarHBondContact O-N 3.16Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 2.95Å; D129-M133 HydrophobicContact CB-CE 4.35Å; D129-M133 WeakPolarHBondContact O-CG 3.32Å; D129-M133 PolarHBondContact O-N 3.27Å |
| 130 | V | 84.6 | Confident | 84.7 | Confident | 44 Ų | 44 | 99.8 Ų | 99.8 | 27% | 0.267 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.6 | -35.5 | 179.8 | -179.9 | 0 | 0 | 0 | 0 | 111.2 | F123 K124 N127 P128 L134 | F123-V130 HydrophobicContact CE1-CG2 4.27Å; K124-V130 HydrophobicContact CB-CG1 4.39Å; K124-V130 HydrophobicContact CG-CG1 4.3Å; N127-V130 HydrophobicContact CB-CG2 4.29Å; P128-V130 VanDerWaalsContact C-N 3.33Å; P128-V130 PolarHBondContact O-N 3.35Å; V130-L134 PolarHBondContact O-N 3.3Å; V130-L134 VanDerWaalsContact O-N 3.13Å |
| 131 | R | 84.8 | Confident | 84.8 | Confident | 114 Ų | 114 | 99.2 Ų | 99.2 | 43% | 0.43 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -70.3 | -40.1 | -179 | -167.1 | -171.1 | 69.8 | -150.8 | -5.2 | 111.7 | P128 D129 L134 R135 | P128-R131 WeakPolarHBondContact O-CB 3.5Å; P128-R131 PolarHBondContact O-N 3.3Å; P128-R131 VanDerWaalsContact O-N 3.1Å; D129-R131 VanDerWaalsContact C-N 3.33Å; D129-R131 PolarHBondContact O-N 2.95Å; R131-L134 PolarHBondContact O-N 3.37Å; R131-R135 PolarHBondContact O-N 3.35Å; R131-R135 VanDerWaalsContact O-N 3.08Å |
| 132 | D | 84 | Confident | 85 | Confident | 83 Ų | 83 | 99 Ų | 99 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.9 | -35 | -178.5 | -66.4 | -10.7 | 0 | 0 | 0 | 111 | P128 L134 R135 A136 | P128-D132 PolarHBondContact O-N 2.98Å; P128-D132 VanDerWaalsContact O-N 3.13Å; D132-L134 PolarHBondContact O-N 2.97Å; D132-R135 PolarHBondContact O-N 2.92Å; D132-A136 PolarHBondContact O-N 3.05Å; D132-A136 VanDerWaalsContact O-N 3.07Å |
| 133 | M | 86.1 | Confident | 85.2 | Confident | 133 Ų | 133 | 97.6 Ų | 97.6 | 66% | 0.655 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.9 | -41.7 | 168.7 | -69.9 | -177.3 | -145.5 | 0 | 0 | 112.5 | D129 A136 A137 | D129-M133 HydrophobicContact CB-CE 4.35Å; D129-M133 WeakPolarHBondContact O-CG 3.32Å; D129-M133 PolarHBondContact O-N 3.27Å; M133-A136 PolarHBondContact O-N 2.85Å; M133-A137 PolarHBondContact O-N 3.06Å; M133-A137 VanDerWaalsContact O-N 3.1Å |
| 134 | L | 86.3 | Confident | 85.5 | Confident | 106 Ų | 106 | 96.9 Ų | 96.9 | 56% | 0.555 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.4 | -45.3 | 177.3 | -124.8 | 89.7 | 0 | 0 | 0 | 111.6 | V130 R131 D132 A136 A137 D138 | V130-L134 PolarHBondContact O-N 3.3Å; V130-L134 VanDerWaalsContact O-N 3.13Å; R131-L134 PolarHBondContact O-N 3.37Å; D132-L134 PolarHBondContact O-N 2.97Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.27Å; L134-A137 WeakPolarHBondContact O-CB 3.46Å; L134-A137 PolarHBondContact O-N 3.46Å; L134-D138 VanDerWaalsContact O-CG 3.32Å; L134-D138 PolarHBondContact O-N 2.64Å |
| 135 | R | 86.2 | Confident | 85.7 | Confident | 147 Ų | 147 | 96.6 Ų | 96.6 | 56% | 0.555 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -38.9 | 179 | -72.3 | -175.6 | -167.5 | -163.5 | 4.5 | 112.8 | R131 D132 A137 D138 Q139 | R131-R135 PolarHBondContact O-N 3.35Å; R131-R135 VanDerWaalsContact O-N 3.08Å; D132-R135 PolarHBondContact O-N 2.92Å; R135-A137 VanDerWaalsContact C-N 3.33Å; R135-D138 PolarHBondContact O-N 2.84Å; R135-Q139 WeakPolarHBondContact O-CG 3.3Å; R135-Q139 PolarHBondContact O-N 3.23Å |
| 136 | A | 87.9 | Confident | 86.1 | Confident | 45 Ų | 45 | 98.6 Ų | 98.6 | 37% | 0.372 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -65.8 | -38.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | D132 M133 L134 N140 | D132-A136 PolarHBondContact O-N 3.05Å; D132-A136 VanDerWaalsContact O-N 3.07Å; M133-A136 PolarHBondContact O-N 2.85Å; L134-A136 VanDerWaalsContact C-N 3.34Å; L134-A136 PolarHBondContact O-N 3.27Å; A136-N140 VanDerWaalsContact O-CG 3.26Å; A136-N140 PolarHBondContact O-N 2.85Å; A136-N140 VanDerWaalsContact O-N 3.15Å; A136-N140 PolarHBondContact O-ND2 3.07Å |
| 137 | A | 86.3 | Confident | 86.5 | Confident | 48 Ų | 48 | 97.8 Ų | 97.8 | 40% | 0.397 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.5 | -50.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | M133 L134 R135 Q139 N140 D141 | M133-A137 PolarHBondContact O-N 3.06Å; M133-A137 VanDerWaalsContact O-N 3.1Å; L134-A137 WeakPolarHBondContact O-CB 3.46Å; L134-A137 PolarHBondContact O-N 3.46Å; R135-A137 VanDerWaalsContact C-N 3.33Å; A137-Q139 VanDerWaalsContact C-N 3.3Å; A137-Q139 PolarHBondContact O-N 3.48Å; A137-N140 PolarHBondContact O-N 3.49Å; A137-D141 PolarHBondContact O-N 3.3Å |
| 138 | D | 85.9 | Confident | 87.1 | Confident | 88 Ų | 88 | 99.4 Ų | 99.4 | 47% | 0.471 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.7 | -38.3 | 179.5 | -65.7 | -22.8 | 0 | 0 | 0 | 112.6 | L134 R135 I142 | L134-D138 VanDerWaalsContact O-CG 3.32Å; L134-D138 PolarHBondContact O-N 2.64Å; R135-D138 PolarHBondContact O-N 2.84Å; D138-I142 WeakPolarHBondContact O-CD1 3.36Å; D138-I142 VanDerWaalsContact O-CG1 3.31Å; D138-I142 WeakPolarHBondContact O-CG1 3.48Å; D138-I142 PolarHBondContact O-N 3.37Å |
| 139 | Q | 85.1 | Confident | 87.7 | Confident | 136 Ų | 136 | 101.8 Ų | 101.8 | 64% | 0.636 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.5 | -41.1 | 177.7 | -80.6 | -176.2 | -25.2 | 0 | 0 | 112.8 | R135 A137 D141 I142 V143 | R135-Q139 WeakPolarHBondContact O-CG 3.3Å; R135-Q139 PolarHBondContact O-N 3.23Å; A137-Q139 VanDerWaalsContact C-N 3.3Å; A137-Q139 PolarHBondContact O-N 3.48Å; Q139-D141 VanDerWaalsContact C-N 3.35Å; Q139-I142 PolarHBondContact O-N 3.13Å; Q139-V143 WeakPolarHBondContact O-CG2 3.42Å; Q139-V143 PolarHBondContact O-N 3.43Å |
| 140 | N | 88.9 | Confident | 88 | Confident | 102 Ų | 102 | 101 Ų | 101 | 55% | 0.545 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -63.5 | -43.3 | 176.4 | -69.9 | -20.5 | 0 | 0 | 0 | 110.7 | A136 A137 I142 V143 D144 | A136-N140 VanDerWaalsContact O-CG 3.26Å; A136-N140 PolarHBondContact O-N 2.85Å; A136-N140 VanDerWaalsContact O-N 3.15Å; A136-N140 PolarHBondContact O-ND2 3.07Å; A137-N140 PolarHBondContact O-N 3.49Å; N140-I142 VanDerWaalsContact C-N 3.3Å; N140-I142 PolarHBondContact O-N 3.06Å; N140-V143 PolarHBondContact O-N 2.81Å; N140-V143 VanDerWaalsContact O-N 3.17Å; N140-D144 WeakPolarHBondContact O-CB 3.16Å; N140-D144 PolarHBondContact O-N 3.03Å |
| 141 | D | 87 | Confident | 88.4 | Confident | 90 Ų | 90 | 102.9 Ų | 102.9 | 48% | 0.481 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.5 | -38.1 | 178.2 | -68.4 | -13.6 | 0 | 0 | 0 | 112.4 | A137 Q139 H145 | A137-D141 PolarHBondContact O-N 3.3Å; Q139-D141 VanDerWaalsContact C-N 3.35Å; D141-H145 WeakPolarHBondContact O-CB 3.41Å; D141-H145 PolarHBondContact O-CD2 2.94Å; D141-H145 VanDerWaalsContact O-CD2 3.27Å; D141-H145 PolarHBondContact O-N 3.4Å |
| 142 | I | 89.8 | Confident | 88.7 | Confident | 106 Ų | 106 | 103.3 Ų | 103.3 | 54% | 0.544 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -67.7 | -43.4 | 177.1 | -67.6 | 164.5 | 0 | 0 | 0 | 111.5 | D138 Q139 N140 D144 H145 W146 | D138-I142 WeakPolarHBondContact O-CD1 3.36Å; D138-I142 VanDerWaalsContact O-CG1 3.31Å; D138-I142 WeakPolarHBondContact O-CG1 3.48Å; D138-I142 PolarHBondContact O-N 3.37Å; Q139-I142 PolarHBondContact O-N 3.13Å; N140-I142 VanDerWaalsContact C-N 3.3Å; N140-I142 PolarHBondContact O-N 3.06Å; I142-D144 VanDerWaalsContact C-N 3.35Å; I142-H145 PolarHBondContact O-N 3.4Å; I142-W146 PolarHBondContact O-N 2.88Å |
| 143 | V | 89.2 | Confident | 89 | Confident | 82 Ų | 82 | 104.8 Ų | 104.8 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -65.7 | -41.6 | 179.3 | 172.6 | 0 | 0 | 0 | 0 | 110.5 | Q139 N140 W146 N147 | Q139-V143 WeakPolarHBondContact O-CG2 3.42Å; Q139-V143 PolarHBondContact O-N 3.43Å; N140-V143 PolarHBondContact O-N 2.81Å; N140-V143 VanDerWaalsContact O-N 3.17Å; V143-W146 PolarHBondContact O-N 3.44Å; V143-N147 PolarHBondContact O-N 2.67Å |
| 144 | D | 89 | Confident | 89.3 | Confident | 91 Ų | 91 | 101.7 Ų | 101.7 | 49% | 0.487 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62 | -46.8 | 176.3 | -71.3 | -16.6 | 0 | 0 | 0 | 110.7 | N140 I142 W146 N147 D148 | N140-D144 WeakPolarHBondContact O-CB 3.16Å; N140-D144 PolarHBondContact O-N 3.03Å; I142-D144 VanDerWaalsContact C-N 3.35Å; D144-W146 PolarHBondContact O-N 3.5Å; D144-N147 PolarHBondContact O-N 2.98Å; D144-D148 PolarHBondContact O-N 3.29Å |
| 145 | H | 89.8 | Confident | 89.5 | Confident | 122 Ų | 122 | 103.5 Ų | 103.5 | 57% | 0.565 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -60.1 | -39.6 | 174.8 | -80.6 | -37.5 | 0 | 0 | 0 | 114.1 | D141 I142 D148 Q149 | D141-H145 WeakPolarHBondContact O-CB 3.41Å; D141-H145 PolarHBondContact O-CD2 2.94Å; D141-H145 VanDerWaalsContact O-CD2 3.27Å; D141-H145 PolarHBondContact O-N 3.4Å; I142-H145 PolarHBondContact O-N 3.4Å; H145-D148 PolarHBondContact O-N 3.47Å; H145-Q149 WeakPolarHBondContact O-CG 3.28Å; H145-Q149 PolarHBondContact O-N 3.03Å; H145-Q149 VanDerWaalsContact O-N 3.08Å |
| 146 | W | 90.3 | Very high | 89.7 | Confident | 195 Ų | 195 | 101.8 Ų | 101.8 | 74% | 0.739 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -67.2 | -41.6 | 176.7 | -104.5 | 41.9 | 0 | 0 | 0 | 112.4 | I142 V143 D144 D148 Q149 L150 | I142-W146 PolarHBondContact O-N 2.88Å; V143-W146 PolarHBondContact O-N 3.44Å; D144-W146 PolarHBondContact O-N 3.5Å; W146-D148 VanDerWaalsContact C-N 3.33Å; W146-Q149 PolarHBondContact O-N 3.5Å; W146-L150 PolarHBondContact O-N 3.39Å |
| 147 | N | 91.8 | Very high | 89.8 | Confident | 82 Ų | 82 | 105.1 Ų | 105.1 | 44% | 0.439 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -63.9 | -39.4 | 175 | -82.8 | -32 | 0 | 0 | 0 | 111.7 | V143 D144 L150 N151 | V143-N147 PolarHBondContact O-N 2.67Å; D144-N147 PolarHBondContact O-N 2.98Å; N147-L150 PolarHBondContact O-N 2.81Å; N147-N151 VanDerWaalsContact O-CB 3.31Å; N147-N151 WeakPolarHBondContact O-CB 3.46Å; N147-N151 PolarHBondContact O-N 3.35Å; N147-N151 PolarHBondContact O-ND2 2.82Å; N147-N151 VanDerWaalsContact O-ND2 3.15Å |
| 148 | D | 91.6 | Very high | 89.8 | Confident | 90 Ų | 90 | 108.7 Ų | 108.7 | 48% | 0.481 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.6 | -47.5 | 175.6 | -74.8 | -19.7 | 0 | 0 | 0 | 111.7 | D144 H145 W146 L150 N151 E152 | D144-D148 PolarHBondContact O-N 3.29Å; H145-D148 PolarHBondContact O-N 3.47Å; W146-D148 VanDerWaalsContact C-N 3.33Å; D148-L150 PolarHBondContact O-N 2.88Å; D148-N151 PolarHBondContact O-N 3.13Å; D148-E152 WeakPolarHBondContact O-CG 3.48Å; D148-E152 PolarHBondContact O-N 3.29Å |
| 149 | Q | 91.8 | Very high | 89.9 | Confident | 118 Ų | 118 | 108.1 Ų | 108.1 | 55% | 0.551 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -61.1 | -43 | 177.1 | -74.1 | 178.6 | -8.6 | 0 | 0 | 112.7 | H145 W146 N151 E152 H153 | H145-Q149 WeakPolarHBondContact O-CG 3.28Å; H145-Q149 PolarHBondContact O-N 3.03Å; H145-Q149 VanDerWaalsContact O-N 3.08Å; W146-Q149 PolarHBondContact O-N 3.5Å; Q149-N151 VanDerWaalsContact C-N 3.33Å; Q149-E152 PolarHBondContact O-N 2.87Å; Q149-H153 WeakPolarHBondContact O-CB 3.35Å; Q149-H153 PolarHBondContact O-N 2.95Å |
| 150 | L | 92.1 | Very high | 90.1 | Very high | 99 Ų | 99 | 107.2 Ų | 107.2 | 52% | 0.518 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -40.1 | 178.1 | -173.2 | 64.8 | 0 | 0 | 0 | 111.3 | W146 N147 D148 N154 | W146-L150 PolarHBondContact O-N 3.39Å; N147-L150 PolarHBondContact O-N 2.81Å; D148-L150 PolarHBondContact O-N 2.88Å; L150-N154 WeakPolarHBondContact O-CB 3.46Å; L150-N154 VanDerWaalsContact O-CG 3.28Å; L150-N154 PolarHBondContact O-N 2.91Å; L150-N154 PolarHBondContact O-ND2 3.33Å |
| 151 | N | 91.8 | Very high | 90.1 | Very high | 83 Ų | 83 | 105.9 Ų | 105.9 | 44% | 0.444 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -66.2 | -41.7 | 175.8 | -75.8 | -29.1 | 0 | 0 | 0 | 112.2 | N147 D148 Q149 N154 K155 | N147-N151 VanDerWaalsContact O-CB 3.31Å; N147-N151 WeakPolarHBondContact O-CB 3.46Å; N147-N151 PolarHBondContact O-N 3.35Å; N147-N151 PolarHBondContact O-ND2 2.82Å; N147-N151 VanDerWaalsContact O-ND2 3.15Å; D148-N151 PolarHBondContact O-N 3.13Å; Q149-N151 VanDerWaalsContact C-N 3.33Å; N151-N154 PolarHBondContact O-N 3.33Å; N151-K155 WeakPolarHBondContact O-CB 3.39Å; N151-K155 VanDerWaalsContact O-CG 3.26Å; N151-K155 WeakPolarHBondContact O-CG 3.45Å; N151-K155 PolarHBondContact O-N 2.83Å |
| 152 | E | 90.9 | Very high | 90.3 | Very high | 123 Ų | 123 | 106.9 Ų | 106.9 | 58% | 0.575 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -61.5 | -48 | 174.3 | -76.2 | -176.3 | 165.9 | 0 | 0 | 111.6 | D148 Q149 N154 K155 L156 | D148-E152 WeakPolarHBondContact O-CG 3.48Å; D148-E152 PolarHBondContact O-N 3.29Å; Q149-E152 PolarHBondContact O-N 2.87Å; E152-N154 PolarHBondContact O-N 3.35Å; E152-K155 PolarHBondContact O-N 3.02Å; E152-L156 WeakPolarHBondContact O-CG 3.33Å; E152-L156 PolarHBondContact O-N 2.98Å |
| 153 | H | 91.5 | Very high | 90.2 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 53% | 0.528 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -61.3 | -43.3 | 177.9 | -179 | -86.3 | 0 | 0 | 0 | 112.2 | Q149 L156 K157 | Q149-H153 WeakPolarHBondContact O-CB 3.35Å; Q149-H153 PolarHBondContact O-N 2.95Å; H153-L156 PolarHBondContact O-N 3.37Å; H153-K157 WeakPolarHBondContact O-CB 3.43Å; H153-K157 PolarHBondContact O-N 3.07Å |
| 154 | N | 92.2 | Very high | 90.3 | Very high | 69 Ų | 69 | 106.4 Ų | 106.4 | 37% | 0.369 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.5 | -39.5 | 176.5 | -75.6 | -22.5 | 0 | 0 | 0 | 112.3 | L150 N151 E152 Q158 | L150-N154 WeakPolarHBondContact O-CB 3.46Å; L150-N154 VanDerWaalsContact O-CG 3.28Å; L150-N154 PolarHBondContact O-N 2.91Å; L150-N154 PolarHBondContact O-ND2 3.33Å; N151-N154 PolarHBondContact O-N 3.33Å; E152-N154 PolarHBondContact O-N 3.35Å; N154-Q158 WeakPolarHBondContact O-CB 3.43Å; N154-Q158 VanDerWaalsContact O-CG 3.26Å; N154-Q158 WeakPolarHBondContact O-CG 3.31Å; N154-Q158 PolarHBondContact O-N 2.85Å |
| 155 | K | 89.9 | Confident | 90.4 | Very high | 144 Ų | 144 | 106.2 Ų | 106.2 | 63% | 0.626 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -65.2 | -42 | 174.8 | -75.3 | 172.7 | -177 | 175 | 0 | 112.2 | N151 E152 Q158 S159 | N151-K155 WeakPolarHBondContact O-CB 3.39Å; N151-K155 VanDerWaalsContact O-CG 3.26Å; N151-K155 WeakPolarHBondContact O-CG 3.45Å; N151-K155 PolarHBondContact O-N 2.83Å; E152-K155 PolarHBondContact O-N 3.02Å; K155-Q158 PolarHBondContact O-N 3.41Å; K155-S159 WeakPolarHBondContact O-CB 3.31Å; K155-S159 PolarHBondContact O-N 3.14Å |
| 156 | L | 90.7 | Very high | 90.5 | Very high | 110 Ų | 110 | 103.9 Ų | 103.9 | 58% | 0.576 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -49.6 | 176.2 | -74.3 | 170.8 | 0 | 0 | 0 | 111 | E152 H153 Q158 S159 E160 | E152-L156 WeakPolarHBondContact O-CG 3.33Å; E152-L156 PolarHBondContact O-N 2.98Å; H153-L156 PolarHBondContact O-N 3.37Å; L156-Q158 PolarHBondContact O-N 3.08Å; L156-S159 WeakPolarHBondContact O-CB 3.41Å; L156-S159 PolarHBondContact O-N 3.24Å; L156-S159 VanDerWaalsContact O-N 3.12Å; L156-E160 WeakPolarHBondContact O-CG 3.41Å; L156-E160 PolarHBondContact O-N 3.37Å |
| 157 | K | 89.3 | Confident | 90.5 | Very high | 115 Ų | 115 | 99.8 Ų | 99.8 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 178.3 | -170.5 | 175.4 | -180 | -179.6 | 0 | 112.4 | H153 S159 E160 D161 | H153-K157 WeakPolarHBondContact O-CB 3.43Å; H153-K157 PolarHBondContact O-N 3.07Å; K157-S159 VanDerWaalsContact C-N 3.32Å; K157-S159 PolarHBondContact O-N 2.9Å; K157-E160 PolarHBondContact O-N 3.17Å; K157-D161 WeakPolarHBondContact O-CB 3.36Å; K157-D161 PolarHBondContact O-N 2.93Å |
| 158 | Q | 88 | Confident | 90.5 | Very high | 124 Ų | 124 | 102.4 Ų | 102.4 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -61.6 | -40 | 174 | -75.2 | 174.9 | 0.8 | 0 | 0 | 112 | N154 K155 L156 L162 | N154-Q158 WeakPolarHBondContact O-CB 3.43Å; N154-Q158 VanDerWaalsContact O-CG 3.26Å; N154-Q158 WeakPolarHBondContact O-CG 3.31Å; N154-Q158 PolarHBondContact O-N 2.85Å; K155-Q158 PolarHBondContact O-N 3.41Å; L156-Q158 PolarHBondContact O-N 3.08Å; Q158-L162 VanDerWaalsContact O-CB 3.28Å; Q158-L162 WeakPolarHBondContact O-CB 3.39Å; Q158-L162 WeakPolarHBondContact O-CD1 3.23Å; Q158-L162 WeakPolarHBondContact O-CG 3.46Å; Q158-L162 PolarHBondContact O-N 2.92Å |
| 159 | S | 86.7 | Confident | 90.4 | Very high | 76 Ų | 76 | 103.5 Ų | 103.5 | 53% | 0.531 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.5 | -39.4 | 175.8 | -173.9 | 0 | 0 | 0 | 0 | 112.4 | K155 L156 K157 S163 | K155-S159 WeakPolarHBondContact O-CB 3.31Å; K155-S159 PolarHBondContact O-N 3.14Å; L156-S159 WeakPolarHBondContact O-CB 3.41Å; L156-S159 PolarHBondContact O-N 3.24Å; L156-S159 VanDerWaalsContact O-N 3.12Å; K157-S159 VanDerWaalsContact C-N 3.32Å; K157-S159 PolarHBondContact O-N 2.9Å; S159-S163 VanDerWaalsContact O-CB 3.28Å; S159-S163 WeakPolarHBondContact O-CB 3.35Å; S159-S163 PolarHBondContact O-N 3Å |
| 160 | E | 89.2 | Confident | 90.3 | Very high | 116 Ų | 116 | 103.6 Ų | 103.6 | 54% | 0.542 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -67.6 | -47 | 176.5 | -73.3 | 174.1 | 177.9 | 0 | 0 | 111.5 | L156 K157 L162 S163 Q164 | L156-E160 WeakPolarHBondContact O-CG 3.41Å; L156-E160 PolarHBondContact O-N 3.37Å; K157-E160 PolarHBondContact O-N 3.17Å; E160-L162 PolarHBondContact O-N 3.35Å; E160-S163 PolarHBondContact O-N 3.49Å; E160-Q164 WeakPolarHBondContact O-CG 2.98Å; E160-Q164 PolarHBondContact O-N 3.44Å |
| 161 | D | 90.3 | Very high | 90.3 | Very high | 75 Ų | 75 | 103 Ų | 103 | 40% | 0.401 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.6 | -45.1 | 177.2 | -72.5 | -23.8 | 0 | 0 | 0 | 110.6 | K157 Q164 I165 | K157-D161 WeakPolarHBondContact O-CB 3.36Å; K157-D161 PolarHBondContact O-N 2.93Å; D161-Q164 PolarHBondContact O-N 2.96Å; D161-I165 WeakPolarHBondContact O-CD1 3.33Å; D161-I165 VanDerWaalsContact O-CG1 3.25Å; D161-I165 WeakPolarHBondContact O-CG1 3.43Å; D161-I165 PolarHBondContact O-N 2.87Å |
| 162 | L | 90.3 | Very high | 90.1 | Very high | 111 Ų | 111 | 102 Ų | 102 | 58% | 0.581 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -61.4 | -44.3 | 173.7 | -75.4 | 169.5 | 0 | 0 | 0 | 111.8 | Q158 E160 Q164 I165 V166 | Q158-L162 VanDerWaalsContact O-CB 3.28Å; Q158-L162 WeakPolarHBondContact O-CB 3.39Å; Q158-L162 WeakPolarHBondContact O-CD1 3.23Å; Q158-L162 WeakPolarHBondContact O-CG 3.46Å; Q158-L162 PolarHBondContact O-N 2.92Å; E160-L162 PolarHBondContact O-N 3.35Å; L162-Q164 VanDerWaalsContact C-N 3.32Å; L162-Q164 PolarHBondContact O-N 3.27Å; L162-I165 PolarHBondContact O-N 3.28Å; L162-V166 WeakPolarHBondContact O-CB 3.32Å; L162-V166 VanDerWaalsContact O-CG2 3.27Å; L162-V166 WeakPolarHBondContact O-CG2 3.31Å; L162-V166 PolarHBondContact O-N 2.84Å |
| 163 | S | 88.4 | Confident | 90.1 | Very high | 75 Ų | 75 | 101.5 Ų | 101.5 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -37.4 | 178 | -172.7 | 0 | 0 | 0 | 0 | 112.3 | S159 E160 M167 | S159-S163 VanDerWaalsContact O-CB 3.28Å; S159-S163 WeakPolarHBondContact O-CB 3.35Å; S159-S163 PolarHBondContact O-N 3Å; E160-S163 PolarHBondContact O-N 3.49Å; S163-M167 VanDerWaalsContact O-CB 3.24Å; S163-M167 WeakPolarHBondContact O-CB 3.31Å; S163-M167 PolarHBondContact O-N 3.04Å |
| 164 | Q | 90.9 | Very high | 90 | Very high | 103 Ų | 103 | 99.8 Ų | 99.8 | 48% | 0.481 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.8 | -39.3 | 176.5 | -73.5 | -179.7 | 29 | 0 | 0 | 112.1 | E160 D161 L162 K168 | E160-Q164 WeakPolarHBondContact O-CG 2.98Å; E160-Q164 PolarHBondContact O-N 3.44Å; D161-Q164 PolarHBondContact O-N 2.96Å; L162-Q164 VanDerWaalsContact C-N 3.32Å; L162-Q164 PolarHBondContact O-N 3.27Å; Q164-K168 WeakPolarHBondContact O-CB 3.46Å; Q164-K168 VanDerWaalsContact O-CG 3.3Å; Q164-K168 WeakPolarHBondContact O-CG 3.24Å; Q164-K168 PolarHBondContact O-N 2.72Å |
| 165 | I | 90.7 | Very high | 90 | Very high | 86 Ų | 86 | 102.4 Ų | 102.4 | 44% | 0.441 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.4 | -50.3 | 175.4 | -68.4 | 163.4 | 0 | 0 | 0 | 109.6 | D161 L162 M167 K168 E169 | D161-I165 WeakPolarHBondContact O-CD1 3.33Å; D161-I165 VanDerWaalsContact O-CG1 3.25Å; D161-I165 WeakPolarHBondContact O-CG1 3.43Å; D161-I165 PolarHBondContact O-N 2.87Å; L162-I165 PolarHBondContact O-N 3.28Å; I165-M167 VanDerWaalsContact C-N 3.32Å; I165-M167 PolarHBondContact O-N 3.47Å; I165-K168 PolarHBondContact O-N 3.47Å; I165-E169 HydrophobicContact CG2-CG 4.43Å; I165-E169 WeakPolarHBondContact O-CG 3.33Å; I165-E169 PolarHBondContact O-N 3.01Å |
| 166 | V | 91.7 | Very high | 90 | Very high | 74 Ų | 74 | 100.2 Ų | 100.2 | 45% | 0.448 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59 | -43.4 | 177.8 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | L162 K168 E169 M170 | L162-V166 WeakPolarHBondContact O-CB 3.32Å; L162-V166 VanDerWaalsContact O-CG2 3.27Å; L162-V166 WeakPolarHBondContact O-CG2 3.31Å; L162-V166 PolarHBondContact O-N 2.84Å; V166-K168 PolarHBondContact O-N 3.15Å; V166-E169 PolarHBondContact O-N 3.26Å; V166-M170 HydrophobicContact CG1-CG 4.31Å; V166-M170 HydrophobicContact CG1-SD 4.03Å; V166-M170 WeakPolarHBondContact O-CB 3.39Å; V166-M170 VanDerWaalsContact O-CG 3.27Å; V166-M170 WeakPolarHBondContact O-CG 3.5Å; V166-M170 PolarHBondContact O-N 3.44Å |
| 167 | M | 90.8 | Very high | 90.1 | Very high | 109 Ų | 109 | 102 Ų | 102 | 54% | 0.537 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63 | -42.6 | 177.4 | -178 | 173.2 | 154.5 | 0 | 0 | 112 | S163 I165 M170 E171 | S163-M167 VanDerWaalsContact O-CB 3.24Å; S163-M167 WeakPolarHBondContact O-CB 3.31Å; S163-M167 PolarHBondContact O-N 3.04Å; I165-M167 VanDerWaalsContact C-N 3.32Å; I165-M167 PolarHBondContact O-N 3.47Å; M167-M170 PolarHBondContact O-N 3.5Å; M167-E171 WeakPolarHBondContact CE-OE1 3.25Å; M167-E171 WeakPolarHBondContact O-CB 3.25Å; M167-E171 VanDerWaalsContact O-CG 3.31Å; M167-E171 WeakPolarHBondContact O-CG 3.22Å; M167-E171 PolarHBondContact O-N 3.45Å |
| 168 | K | 90.9 | Very high | 90.2 | Very high | 136 Ų | 136 | 101.2 Ų | 101.2 | 59% | 0.591 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -65.3 | -40.5 | 175.6 | -75 | 172.4 | -177.1 | 170.5 | 0 | 112.5 | Q164 I165 V166 E171 S172 | Q164-K168 WeakPolarHBondContact O-CB 3.46Å; Q164-K168 VanDerWaalsContact O-CG 3.3Å; Q164-K168 WeakPolarHBondContact O-CG 3.24Å; Q164-K168 PolarHBondContact O-N 2.72Å; I165-K168 PolarHBondContact O-N 3.47Å; V166-K168 PolarHBondContact O-N 3.15Å; K168-E171 PolarHBondContact O-N 3.29Å; K168-S172 VanDerWaalsContact O-CB 3.32Å; K168-S172 WeakPolarHBondContact O-CB 2.95Å; K168-S172 PolarHBondContact O-N 3.39Å |
| 169 | E | 89.7 | Confident | 90.4 | Very high | 114 Ų | 114 | 100.1 Ų | 100.1 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -47.1 | 174.8 | -74.3 | 178.1 | 172.3 | 0 | 0 | 110.8 | I165 V166 E171 S172 D173 | I165-E169 HydrophobicContact CG2-CG 4.43Å; I165-E169 WeakPolarHBondContact O-CG 3.33Å; I165-E169 PolarHBondContact O-N 3.01Å; V166-E169 PolarHBondContact O-N 3.26Å; E169-E171 PolarHBondContact O-N 2.94Å; E169-S172 WeakPolarHBondContact O-CB 3.45Å; E169-S172 PolarHBondContact O-N 3.19Å; E169-D173 WeakPolarHBondContact O-CB 3.41Å; E169-D173 PolarHBondContact O-N 2.9Å |
| 170 | M | 90.3 | Very high | 90.7 | Very high | 120 Ų | 120 | 102.5 Ų | 102.5 | 59% | 0.591 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60 | -44.7 | 175.3 | -73.7 | -177.5 | 71.2 | 0 | 0 | 112.4 | V166 M167 S172 D173 V174 | V166-M170 HydrophobicContact CG1-CG 4.31Å; V166-M170 HydrophobicContact CG1-SD 4.03Å; V166-M170 WeakPolarHBondContact O-CB 3.39Å; V166-M170 VanDerWaalsContact O-CG 3.27Å; V166-M170 WeakPolarHBondContact O-CG 3.5Å; V166-M170 PolarHBondContact O-N 3.44Å; M167-M170 PolarHBondContact O-N 3.5Å; M170-S172 VanDerWaalsContact C-N 3.32Å; M170-S172 PolarHBondContact O-N 2.95Å; M170-D173 PolarHBondContact O-N 2.91Å; M170-V174 WeakPolarHBondContact O-CB 3.39Å; M170-V174 VanDerWaalsContact O-CG2 3.25Å; M170-V174 WeakPolarHBondContact O-CG2 3.48Å; M170-V174 PolarHBondContact O-N 3.38Å |
| 171 | E | 91.6 | Very high | 90.9 | Very high | 85 Ų | 85 | 100.9 Ų | 100.9 | 40% | 0.397 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.8 | -39.7 | 175.8 | -76.9 | 178 | -172.7 | 0 | 0 | 112.1 | M167 K168 E169 K175 | M167-E171 WeakPolarHBondContact CE-OE1 3.25Å; M167-E171 WeakPolarHBondContact O-CB 3.25Å; M167-E171 VanDerWaalsContact O-CG 3.31Å; M167-E171 WeakPolarHBondContact O-CG 3.22Å; M167-E171 PolarHBondContact O-N 3.45Å; K168-E171 PolarHBondContact O-N 3.29Å; E169-E171 PolarHBondContact O-N 2.94Å; E171-K175 WeakPolarHBondContact O-CB 3.44Å; E171-K175 VanDerWaalsContact O-CG 3.3Å; E171-K175 WeakPolarHBondContact O-CG 3.38Å; E171-K175 PolarHBondContact O-N 3.25Å |
| 172 | S | 88.6 | Confident | 91 | Very high | 64 Ų | 64 | 101.8 Ų | 101.8 | 45% | 0.448 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 174.8 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | K168 E169 M170 K175 M176 | K168-S172 VanDerWaalsContact O-CB 3.32Å; K168-S172 WeakPolarHBondContact O-CB 2.95Å; K168-S172 PolarHBondContact O-N 3.39Å; E169-S172 WeakPolarHBondContact O-CB 3.45Å; E169-S172 PolarHBondContact O-N 3.19Å; M170-S172 VanDerWaalsContact C-N 3.32Å; M170-S172 PolarHBondContact O-N 2.95Å; S172-K175 PolarHBondContact O-N 3.04Å; S172-M176 WeakPolarHBondContact O-CB 3.47Å; S172-M176 WeakPolarHBondContact O-CG 3.45Å; S172-M176 PolarHBondContact O-N 3.42Å |
| 173 | D | 89.7 | Confident | 91.1 | Very high | 112 Ų | 112 | 99.3 Ų | 99.3 | 60% | 0.599 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -64.4 | -41.4 | 179.3 | -76.1 | -15.8 | 0 | 0 | 0 | 112.2 | E169 M170 M176 Y177 | E169-D173 WeakPolarHBondContact O-CB 3.41Å; E169-D173 PolarHBondContact O-N 2.9Å; M170-D173 PolarHBondContact O-N 2.91Å; D173-M176 PolarHBondContact O-N 3.36Å; D173-Y177 WeakPolarHBondContact O-CB 3.3Å; D173-Y177 PolarHBondContact O-N 2.94Å |
| 174 | V | 91 | Very high | 91.4 | Very high | 78 Ų | 78 | 101.2 Ų | 101.2 | 47% | 0.473 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62 | -49 | 175 | 170.1 | 0 | 0 | 0 | 0 | 110.6 | M170 M176 Y177 E178 | M170-V174 WeakPolarHBondContact O-CB 3.39Å; M170-V174 VanDerWaalsContact O-CG2 3.25Å; M170-V174 WeakPolarHBondContact O-CG2 3.48Å; M170-V174 PolarHBondContact O-N 3.38Å; V174-M176 VanDerWaalsContact C-N 3.35Å; V174-M176 PolarHBondContact O-N 3.12Å; V174-Y177 WeakPolarHBondContact O-CB 3.26Å; V174-Y177 PolarHBondContact O-N 3.4Å; V174-Y177 VanDerWaalsContact O-N 3.15Å; V174-E178 HydrophobicContact CG1-CG 4.37Å; V174-E178 WeakPolarHBondContact O-CG 3.24Å; V174-E178 PolarHBondContact O-N 3.26Å |
| 175 | K | 91.5 | Very high | 91.5 | Very high | 123 Ų | 123 | 99.9 Ų | 99.9 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 177.1 | -74.8 | 171.9 | -177.6 | 168.8 | 0 | 111.9 | E171 S172 Y177 E178 D179 | E171-K175 WeakPolarHBondContact O-CB 3.44Å; E171-K175 VanDerWaalsContact O-CG 3.3Å; E171-K175 WeakPolarHBondContact O-CG 3.38Å; E171-K175 PolarHBondContact O-N 3.25Å; S172-K175 PolarHBondContact O-N 3.04Å; K175-Y177 VanDerWaalsContact C-N 3.26Å; K175-Y177 PolarHBondContact O-N 3.47Å; K175-E178 PolarHBondContact O-N 2.92Å; K175-D179 WeakPolarHBondContact O-CB 3.33Å; K175-D179 VanDerWaalsContact O-CG 3.28Å; K175-D179 PolarHBondContact O-N 3.42Å |
| 176 | M | 90.3 | Very high | 91.6 | Very high | 99 Ų | 99 | 99.8 Ų | 99.8 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -35.3 | 176.9 | -73.3 | -63 | -63.9 | 0 | 0 | 112.3 | S172 D173 V174 K180 | S172-M176 WeakPolarHBondContact O-CB 3.47Å; S172-M176 WeakPolarHBondContact O-CG 3.45Å; S172-M176 PolarHBondContact O-N 3.42Å; D173-M176 PolarHBondContact O-N 3.36Å; V174-M176 VanDerWaalsContact C-N 3.35Å; V174-M176 PolarHBondContact O-N 3.12Å; M176-K180 WeakPolarHBondContact O-CB 3.5Å; M176-K180 VanDerWaalsContact O-CG 3.23Å; M176-K180 WeakPolarHBondContact O-CG 3.48Å; M176-K180 PolarHBondContact O-N 3.05Å; M176-K180 VanDerWaalsContact O-N 3.16Å |
| 177 | Y | 91.8 | Very high | 91.7 | Very high | 147 Ų | 147 | 100.8 Ų | 100.8 | 58% | 0.576 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.7 | -46.3 | 175.2 | -175.8 | -97.9 | 0 | 0 | 0 | 111.9 | D173 V174 K175 K180 Q181 | D173-Y177 WeakPolarHBondContact O-CB 3.3Å; D173-Y177 PolarHBondContact O-N 2.94Å; V174-Y177 WeakPolarHBondContact O-CB 3.26Å; V174-Y177 PolarHBondContact O-N 3.4Å; V174-Y177 VanDerWaalsContact O-N 3.15Å; K175-Y177 VanDerWaalsContact C-N 3.26Å; K175-Y177 PolarHBondContact O-N 3.47Å; Y177-K180 PolarHBondContact O-N 2.85Å; Y177-Q181 HydrophobicContact CD1-CG 4.22Å; Y177-Q181 HydrophobicContact CE1-CG 3.88Å; Y177-Q181 WeakPolarHBondContact O-CG 3.36Å; Y177-Q181 PolarHBondContact O-N 2.81Å; Y177-Q181 PolarHBondContact OH-NE2 3.49Å |
| 178 | E | 92.6 | Very high | 91.8 | Very high | 99 Ų | 99 | 102 Ų | 102 | 46% | 0.463 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 175.8 | -72.7 | 177.5 | 169.5 | 0 | 0 | 111.6 | V174 K175 K180 Q181 N182 | V174-E178 HydrophobicContact CG1-CG 4.37Å; V174-E178 WeakPolarHBondContact O-CG 3.24Å; V174-E178 PolarHBondContact O-N 3.26Å; K175-E178 PolarHBondContact O-N 2.92Å; E178-K180 VanDerWaalsContact C-N 3.34Å; E178-K180 PolarHBondContact O-N 2.75Å; E178-Q181 PolarHBondContact O-N 3.24Å; E178-N182 WeakPolarHBondContact O-CB 3.29Å; E178-N182 PolarHBondContact O-N 3.22Å; E178-N182 PolarHBondContact O-ND2 2.9Å |
| 179 | D | 92.4 | Very high | 91.8 | Very high | 100 Ų | 100 | 102 Ų | 102 | 54% | 0.535 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 178 | -74.7 | -19.6 | 0 | 0 | 0 | 111.7 | K175 N182 A183 | K175-D179 WeakPolarHBondContact O-CB 3.33Å; K175-D179 VanDerWaalsContact O-CG 3.28Å; K175-D179 PolarHBondContact O-N 3.42Å; D179-N182 PolarHBondContact O-N 3.05Å; D179-A183 VanDerWaalsContact O-CB 3.3Å; D179-A183 WeakPolarHBondContact O-CB 3.47Å; D179-A183 PolarHBondContact O-N 2.98Å |
| 180 | K | 92.6 | Very high | 91.9 | Very high | 127 Ų | 127 | 101 Ų | 101 | 55% | 0.552 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 173.7 | -77.8 | 175.7 | -178.3 | 179.1 | 0 | 111.7 | M176 Y177 E178 N182 A183 E184 | M176-K180 WeakPolarHBondContact O-CB 3.5Å; M176-K180 VanDerWaalsContact O-CG 3.23Å; M176-K180 WeakPolarHBondContact O-CG 3.48Å; M176-K180 PolarHBondContact O-N 3.05Å; M176-K180 VanDerWaalsContact O-N 3.16Å; Y177-K180 PolarHBondContact O-N 2.85Å; E178-K180 VanDerWaalsContact C-N 3.34Å; E178-K180 PolarHBondContact O-N 2.75Å; K180-N182 VanDerWaalsContact C-N 3.35Å; K180-N182 PolarHBondContact O-N 3.45Å; K180-A183 PolarHBondContact O-N 2.85Å; K180-E184 WeakPolarHBondContact O-CG 3.45Å; K180-E184 PolarHBondContact O-N 2.88Å |
| 181 | Q | 92 | Very high | 92.1 | Very high | 82 Ų | 82 | 99.8 Ų | 99.8 | 38% | 0.383 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.8 | -43.3 | 177.2 | -75.2 | -161.2 | -27.9 | 0 | 0 | 111.9 | Y177 E178 E184 I185 | Y177-Q181 HydrophobicContact CD1-CG 4.22Å; Y177-Q181 HydrophobicContact CE1-CG 3.88Å; Y177-Q181 WeakPolarHBondContact O-CG 3.36Å; Y177-Q181 PolarHBondContact O-N 2.81Å; Y177-Q181 PolarHBondContact OH-NE2 3.49Å; E178-Q181 PolarHBondContact O-N 3.24Å; Q181-E184 PolarHBondContact O-N 2.92Å; Q181-I185 VanDerWaalsContact O-CG1 3.24Å; Q181-I185 WeakPolarHBondContact O-CG1 3.45Å; Q181-I185 PolarHBondContact O-N 3.36Å |
| 182 | N | 92.6 | Very high | 92 | Very high | 93 Ų | 93 | 98.2 Ų | 98.2 | 50% | 0.497 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.1 | -43.6 | 176.9 | -72 | -28.9 | 0 | 0 | 0 | 111.3 | E178 D179 K180 E184 I185 E186 | E178-N182 WeakPolarHBondContact O-CB 3.29Å; E178-N182 PolarHBondContact O-N 3.22Å; E178-N182 PolarHBondContact O-ND2 2.9Å; D179-N182 PolarHBondContact O-N 3.05Å; K180-N182 VanDerWaalsContact C-N 3.35Å; K180-N182 PolarHBondContact O-N 3.45Å; N182-E184 PolarHBondContact O-N 2.92Å; N182-I185 PolarHBondContact O-N 3.43Å; N182-E186 WeakPolarHBondContact O-CB 3.46Å; N182-E186 WeakPolarHBondContact O-CG 3.42Å; N182-E186 PolarHBondContact O-N 3.47Å |
| 183 | A | 93.7 | Very high | 92 | Very high | 60 Ų | 60 | 101.3 Ų | 101.3 | 50% | 0.496 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.9 | -41.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | D179 K180 E186 L187 | D179-A183 VanDerWaalsContact O-CB 3.3Å; D179-A183 WeakPolarHBondContact O-CB 3.47Å; D179-A183 PolarHBondContact O-N 2.98Å; K180-A183 PolarHBondContact O-N 2.85Å; A183-E186 PolarHBondContact O-N 2.91Å; A183-L187 VanDerWaalsContact O-CB 3.26Å; A183-L187 WeakPolarHBondContact O-CB 3.39Å; A183-L187 PolarHBondContact O-N 3.41Å |
| 184 | E | 93.8 | Very high | 92.2 | Very high | 114 Ų | 114 | 102 Ų | 102 | 53% | 0.533 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.9 | -40.9 | 175.4 | -74.8 | 179 | -166.1 | 0 | 0 | 112.7 | K180 Q181 N182 L187 K188 | K180-E184 WeakPolarHBondContact O-CG 3.45Å; K180-E184 PolarHBondContact O-N 2.88Å; Q181-E184 PolarHBondContact O-N 2.92Å; N182-E184 PolarHBondContact O-N 2.92Å; E184-L187 PolarHBondContact O-N 3.29Å; E184-K188 WeakPolarHBondContact O-CG 3.37Å; E184-K188 PolarHBondContact O-N 2.91Å |
| 185 | I | 93.6 | Very high | 92.2 | Very high | 76 Ų | 76 | 104.8 Ų | 104.8 | 39% | 0.39 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.5 | -45.8 | 176.4 | -69.6 | 164.9 | 0 | 0 | 0 | 110.4 | Q181 N182 K188 R189 | Q181-I185 VanDerWaalsContact O-CG1 3.24Å; Q181-I185 WeakPolarHBondContact O-CG1 3.45Å; Q181-I185 PolarHBondContact O-N 3.36Å; N182-I185 PolarHBondContact O-N 3.43Å; I185-K188 PolarHBondContact O-N 3.31Å; I185-R189 VanDerWaalsContact O-CG 3.31Å; I185-R189 WeakPolarHBondContact O-CG 3.3Å; I185-R189 PolarHBondContact O-N 2.91Å |
| 186 | E | 92.5 | Very high | 92 | Very high | 84 Ų | 84 | 102.7 Ų | 102.7 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -40 | 177.6 | -75.5 | -56.3 | 131 | 0 | 0 | 112 | N182 A183 K188 R189 L190 | N182-E186 WeakPolarHBondContact O-CB 3.46Å; N182-E186 WeakPolarHBondContact O-CG 3.42Å; N182-E186 PolarHBondContact O-N 3.47Å; A183-E186 PolarHBondContact O-N 2.91Å; E186-K188 PolarHBondContact O-N 3.31Å; E186-R189 WeakPolarHBondContact O-CB 3.32Å; E186-R189 PolarHBondContact O-N 3.31Å; E186-R189 WeakPolarHBondContact OE1-CD 3.38Å; E186-R189 IonicContact OE1-CZ 3.42Å; E186-R189 IonicContact OE1-NE 2.98Å; E186-R189 IonicContact OE1-NH1 3.05Å; E186-R189 PolarHBondContact OE1-NH1 3.48Å; E186-L190 WeakPolarHBondContact O-CG 3.32Å; E186-L190 PolarHBondContact O-N 3.07Å |
| 187 | L | 94.1 | Very high | 92 | Very high | 94 Ų | 94 | 102.6 Ų | 102.6 | 49% | 0.492 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.2 | -45.7 | 175.2 | -169.9 | 154.1 | 0 | 0 | 0 | 111.2 | A183 E184 R189 L190 Q191 | A183-L187 VanDerWaalsContact O-CB 3.26Å; A183-L187 WeakPolarHBondContact O-CB 3.39Å; A183-L187 PolarHBondContact O-N 3.41Å; E184-L187 PolarHBondContact O-N 3.29Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.5Å; L187-L190 PolarHBondContact O-N 3.48Å; L187-Q191 HydrophobicContact CD2-CG 4.07Å; L187-Q191 WeakPolarHBondContact O-CG 3.31Å; L187-Q191 PolarHBondContact O-N 2.88Å |
| 188 | K | 93.3 | Very high | 92.1 | Very high | 134 Ų | 134 | 98 Ų | 98 | 58% | 0.583 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62 | -38.8 | 174.9 | -73.1 | 173.1 | -176.1 | 170.5 | 0 | 112.3 | E184 I185 E186 A192 | E184-K188 WeakPolarHBondContact O-CG 3.37Å; E184-K188 PolarHBondContact O-N 2.91Å; I185-K188 PolarHBondContact O-N 3.31Å; E186-K188 PolarHBondContact O-N 3.31Å; K188-A192 WeakPolarHBondContact O-CB 3.39Å; K188-A192 PolarHBondContact O-N 3.47Å |
| 189 | R | 89.4 | Confident | 92 | Very high | 138 Ų | 138 | 97.5 Ų | 97.5 | 52% | 0.521 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.4 | -42.4 | 175.6 | -75.5 | 171.8 | 175.3 | -178.5 | -0.9 | 111.8 | I185 E186 L187 K193 | I185-R189 VanDerWaalsContact O-CG 3.31Å; I185-R189 WeakPolarHBondContact O-CG 3.3Å; I185-R189 PolarHBondContact O-N 2.91Å; E186-R189 WeakPolarHBondContact O-CB 3.32Å; E186-R189 PolarHBondContact O-N 3.31Å; E186-R189 WeakPolarHBondContact OE1-CD 3.38Å; E186-R189 IonicContact OE1-CZ 3.42Å; E186-R189 IonicContact OE1-NE 2.98Å; E186-R189 IonicContact OE1-NH1 3.05Å; E186-R189 PolarHBondContact OE1-NH1 3.48Å; L187-R189 VanDerWaalsContact C-N 3.32Å; L187-R189 PolarHBondContact O-N 3.5Å; R189-K193 VanDerWaalsContact O-CG 3.3Å; R189-K193 WeakPolarHBondContact O-CG 3.29Å; R189-K193 PolarHBondContact O-N 2.86Å; R189-K193 VanDerWaalsContact O-N 3.08Å |
| 190 | L | 93.2 | Very high | 91.9 | Very high | 92 Ų | 92 | 95.3 Ų | 95.3 | 48% | 0.482 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.9 | -45.7 | 177.2 | -72.1 | 173.5 | 0 | 0 | 0 | 111.1 | E186 L187 A192 K193 E194 | E186-L190 WeakPolarHBondContact O-CG 3.32Å; E186-L190 PolarHBondContact O-N 3.07Å; L187-L190 PolarHBondContact O-N 3.48Å; L190-A192 PolarHBondContact O-N 3.21Å; L190-K193 WeakPolarHBondContact O-CB 3.44Å; L190-K193 PolarHBondContact O-N 3.37Å; L190-K193 VanDerWaalsContact O-N 3.14Å; L190-E194 WeakPolarHBondContact O-CG 3.31Å; L190-E194 PolarHBondContact O-N 3.38Å |
| 191 | Q | 94.1 | Very high | 91.9 | Very high | 94 Ų | 94 | 94.9 Ų | 94.9 | 44% | 0.439 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -57.6 | -48.1 | 175.3 | -74.3 | 178.2 | -27.1 | 0 | 0 | 112.1 | L187 K193 E194 E195 | L187-Q191 HydrophobicContact CD2-CG 4.07Å; L187-Q191 WeakPolarHBondContact O-CG 3.31Å; L187-Q191 PolarHBondContact O-N 2.88Å; Q191-K193 VanDerWaalsContact C-N 3.28Å; Q191-K193 PolarHBondContact O-N 3.13Å; Q191-E194 PolarHBondContact O-N 2.89Å; Q191-E194 VanDerWaalsContact O-N 3.15Å; Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 3.37Å |
| 192 | A | 90.4 | Very high | 91.9 | Very high | 53 Ų | 53 | 97.1 Ų | 97.1 | 44% | 0.438 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -61 | -36.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | K188 L190 H196 | K188-A192 WeakPolarHBondContact O-CB 3.39Å; K188-A192 PolarHBondContact O-N 3.47Å; L190-A192 PolarHBondContact O-N 3.21Å; A192-H196 VanDerWaalsContact O-CB 3.32Å; A192-H196 WeakPolarHBondContact O-CB 3.49Å; A192-H196 PolarHBondContact O-N 3.5Å |
| 193 | K | 88.4 | Confident | 91.8 | Very high | 128 Ų | 128 | 93.3 Ų | 93.3 | 56% | 0.557 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -67.9 | -43 | 174.1 | -74.6 | 173.4 | -178.3 | 177 | 0 | 111.8 | R189 L190 Q191 H196 L197 | R189-K193 VanDerWaalsContact O-CG 3.3Å; R189-K193 WeakPolarHBondContact O-CG 3.29Å; R189-K193 PolarHBondContact O-N 2.86Å; R189-K193 VanDerWaalsContact O-N 3.08Å; L190-K193 WeakPolarHBondContact O-CB 3.44Å; L190-K193 PolarHBondContact O-N 3.37Å; L190-K193 VanDerWaalsContact O-N 3.14Å; Q191-K193 VanDerWaalsContact C-N 3.28Å; Q191-K193 PolarHBondContact O-N 3.13Å; K193-H196 PolarHBondContact O-N 2.86Å; K193-L197 WeakPolarHBondContact O-CB 3.3Å; K193-L197 WeakPolarHBondContact O-CG 3.41Å; K193-L197 PolarHBondContact O-N 3.49Å |
| 194 | E | 92.8 | Very high | 91.6 | Very high | 128 Ų | 128 | 96 Ų | 96 | 60% | 0.598 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -62.7 | -43.7 | 177.3 | -74 | 176.3 | 173.7 | 0 | 0 | 111.4 | L190 Q191 L197 A198 | L190-E194 WeakPolarHBondContact O-CG 3.31Å; L190-E194 PolarHBondContact O-N 3.38Å; Q191-E194 PolarHBondContact O-N 2.89Å; Q191-E194 VanDerWaalsContact O-N 3.15Å; E194-L197 PolarHBondContact O-N 2.81Å; E194-A198 VanDerWaalsContact O-CB 3.3Å; E194-A198 WeakPolarHBondContact O-CB 3.42Å; E194-A198 PolarHBondContact O-N 3.15Å |
| 195 | E | 90.5 | Very high | 91.7 | Very high | 136 Ų | 136 | 97.7 Ų | 97.7 | 64% | 0.636 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -61.4 | -46.4 | 174.9 | -72.2 | 174.9 | 177.4 | 0 | 0 | 111.7 | Q191 A198 Y199 | Q191-E195 WeakPolarHBondContact O-CG 3.47Å; Q191-E195 PolarHBondContact O-N 3.37Å; E195-A198 PolarHBondContact O-N 2.68Å; E195-Y199 WeakPolarHBondContact O-CB 3.36Å; E195-Y199 PolarHBondContact O-N 3.21Å |
| 196 | H | 88 | Confident | 91.6 | Very high | 78 Ų | 78 | 97.3 Ų | 97.3 | 36% | 0.361 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -63.3 | -42.4 | 176.6 | -177.7 | -98.2 | 0 | 0 | 0 | 112.1 | A192 K193 Y199 L200 | A192-H196 VanDerWaalsContact O-CB 3.32Å; A192-H196 WeakPolarHBondContact O-CB 3.49Å; A192-H196 PolarHBondContact O-N 3.5Å; K193-H196 PolarHBondContact O-N 2.86Å; H196-Y199 PolarHBondContact O-N 2.89Å; H196-L200 VanDerWaalsContact CE1-CD1 3.41Å; H196-L200 WeakPolarHBondContact CE1-CD1 3.47Å; H196-L200 WeakPolarHBondContact O-CG 3.47Å; H196-L200 PolarHBondContact O-N 3.46Å |
| 197 | L | 91.4 | Very high | 91.5 | Very high | 98 Ų | 98 | 95.5 Ų | 95.5 | 51% | 0.513 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 175.6 | -74.6 | 174 | 0 | 0 | 0 | 111.8 | K193 E194 Y199 L200 Q201 | K193-L197 WeakPolarHBondContact O-CB 3.3Å; K193-L197 WeakPolarHBondContact O-CG 3.41Å; K193-L197 PolarHBondContact O-N 3.49Å; E194-L197 PolarHBondContact O-N 2.81Å; L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-Y199 PolarHBondContact O-N 2.87Å; L197-L200 PolarHBondContact O-N 2.93Å; L197-Q201 WeakPolarHBondContact O-CB 3.34Å; L197-Q201 VanDerWaalsContact O-CG 3.29Å; L197-Q201 WeakPolarHBondContact O-CG 3.34Å; L197-Q201 PolarHBondContact O-N 2.83Å |
| 198 | A | 93.8 | Very high | 91.6 | Very high | 50 Ų | 50 | 94.7 Ų | 94.7 | 41% | 0.413 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -63.2 | -40.1 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | E194 E195 Q201 K202 | E194-A198 VanDerWaalsContact O-CB 3.3Å; E194-A198 WeakPolarHBondContact O-CB 3.42Å; E194-A198 PolarHBondContact O-N 3.15Å; E195-A198 PolarHBondContact O-N 2.68Å; A198-Q201 PolarHBondContact O-N 2.79Å; A198-K202 PolarHBondContact O-N 3.41Å |
| 199 | Y | 90 | Very high | 91.6 | Very high | 89 Ų | 89 | 92.7 Ų | 92.7 | 35% | 0.349 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -61.6 | -50.3 | 173.6 | 178.1 | -96.4 | 0 | 0 | 0 | 111.6 | E195 H196 L197 Q201 K202 Q203 M395 | E195-Y199 WeakPolarHBondContact O-CB 3.36Å; E195-Y199 PolarHBondContact O-N 3.21Å; H196-Y199 PolarHBondContact O-N 2.89Å; L197-Y199 VanDerWaalsContact C-N 3.32Å; L197-Y199 PolarHBondContact O-N 2.87Å; Y199-Q201 VanDerWaalsContact C-N 3.34Å; Y199-Q201 PolarHBondContact O-N 3.36Å; Y199-K202 WeakPolarHBondContact O-CB 3.36Å; Y199-K202 PolarHBondContact O-N 2.97Å; Y199-Q203 HydrophobicContact CD1-CG 4.45Å; Y199-Q203 HydrophobicContact CE1-CG 4.11Å; Y199-Q203 PolarHBondContact O-N 2.98Å; Y199-Q203 PolarHBondContact OH-NE2 3.13Å; Y199-M395 HydrophobicContact CD1-CE 3.89Å; Y199-M395 HydrophobicContact CD1-SD 4.22Å; Y199-M395 HydrophobicContact CE1-CE 3.28Å; Y199-M395 HydrophobicContact CE1-SD 3.39Å; Y199-M395 WeakPolarHBondContact CE1-SD 3.19Å; Y199-M395 VanDerWaalsContact CZ-SD 3.59Å; Y199-M395 PolarHBondContact OH-SD 3.42Å |
| 200 | L | 89.3 | Confident | 91.7 | Very high | 53 Ų | 53 | 88 Ų | 88 | 28% | 0.277 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 176.5 | -72.4 | 179.1 | 0 | 0 | 0 | 112.4 | H196 L197 K202 Q203 L204 | H196-L200 VanDerWaalsContact CE1-CD1 3.41Å; H196-L200 WeakPolarHBondContact CE1-CD1 3.47Å; H196-L200 WeakPolarHBondContact O-CG 3.47Å; H196-L200 PolarHBondContact O-N 3.46Å; L197-L200 PolarHBondContact O-N 2.93Å; L200-K202 VanDerWaalsContact C-N 3.28Å; L200-K202 PolarHBondContact O-N 3.04Å; L200-Q203 PolarHBondContact O-N 2.81Å; L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 2.71Å |
| 201 | Q | 93.1 | Very high | 91.5 | Very high | 118 Ų | 118 | 88.5 Ų | 88.5 | 55% | 0.551 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -63.8 | -33.4 | 175.2 | -76.6 | 178.4 | -4.3 | 0 | 0 | 112.5 | L197 A198 Y199 R205 | L197-Q201 WeakPolarHBondContact O-CB 3.34Å; L197-Q201 VanDerWaalsContact O-CG 3.29Å; L197-Q201 WeakPolarHBondContact O-CG 3.34Å; L197-Q201 PolarHBondContact O-N 2.83Å; A198-Q201 PolarHBondContact O-N 2.79Å; Y199-Q201 VanDerWaalsContact C-N 3.34Å; Y199-Q201 PolarHBondContact O-N 3.36Å; Q201-R205 WeakPolarHBondContact O-CB 3.27Å; Q201-R205 VanDerWaalsContact O-CG 3.27Å; Q201-R205 WeakPolarHBondContact O-CG 3.35Å; Q201-R205 PolarHBondContact O-N 3.01Å; Q201-R205 VanDerWaalsContact O-N 3.13Å; Q201-R205 PolarHBondContact O-NE 3.48Å; Q201-R205 VanDerWaalsContact O-NE 3.07Å |
| 202 | K | 92.5 | Very high | 91.5 | Very high | 130 Ų | 130 | 86.8 Ų | 86.8 | 57% | 0.565 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -66.9 | -45.7 | 173.5 | -172.1 | -175.3 | 174.3 | -170.7 | 0 | 110.5 | A198 Y199 L200 R205 E206 | A198-K202 PolarHBondContact O-N 3.41Å; Y199-K202 WeakPolarHBondContact O-CB 3.36Å; Y199-K202 PolarHBondContact O-N 2.97Å; L200-K202 VanDerWaalsContact C-N 3.28Å; L200-K202 PolarHBondContact O-N 3.04Å; K202-R205 PolarHBondContact O-N 3.37Å; K202-E206 PolarHBondContact O-N 3.11Å |
| 203 | Q | 89.5 | Confident | 91.6 | Very high | 12 Ų | 12 | 88.4 Ų | 88.4 | 6% | 0.056 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -63.8 | -43 | 178.1 | -68.8 | -176.9 | -39.9 | 0 | 0 | 112.8 | Y199 L200 R205 E206 L207 I392 | Y199-Q203 HydrophobicContact CD1-CG 4.45Å; Y199-Q203 HydrophobicContact CE1-CG 4.11Å; Y199-Q203 PolarHBondContact O-N 2.98Å; Y199-Q203 PolarHBondContact OH-NE2 3.13Å; L200-Q203 PolarHBondContact O-N 2.81Å; Q203-R205 VanDerWaalsContact C-N 3.31Å; Q203-R205 PolarHBondContact O-N 2.83Å; Q203-E206 PolarHBondContact O-N 2.94Å; Q203-L207 WeakPolarHBondContact O-CG 3.37Å; Q203-L207 PolarHBondContact O-N 3.32Å; Q203-I392 HydrophobicContact CB-CD1 4.28Å; Q203-I392 VanDerWaalsContact CD-CG1 3.5Å; Q203-I392 HydrophobicContact CG-CD1 4.45Å; Q203-I392 HydrophobicContact CG-CG1 4.48Å |
| 204 | L | 91.1 | Very high | 91.8 | Very high | 116 Ų | 116 | 84.5 Ų | 84.5 | 61% | 0.607 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -62.2 | -39.7 | 175.5 | -74.5 | 172.9 | 0 | 0 | 0 | 111.9 | L200 E206 N208 | L200-L204 WeakPolarHBondContact O-CB 3.45Å; L200-L204 WeakPolarHBondContact O-CG 3.37Å; L200-L204 PolarHBondContact O-N 2.71Å; L204-E206 VanDerWaalsContact C-N 3.35Å; L204-N208 VanDerWaalsContact O-CB 3.25Å; L204-N208 WeakPolarHBondContact O-CB 3.46Å; L204-N208 PolarHBondContact O-N 3.16Å |
| 205 | R | 94.1 | Very high | 91.8 | Very high | 151 Ų | 151 | 83 Ų | 83 | 57% | 0.57 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -63.9 | -41.7 | 174.3 | -78.7 | -179.1 | -71.5 | 160.3 | -6.2 | 111.7 | Q201 K202 Q203 N208 N209 | Q201-R205 WeakPolarHBondContact O-CB 3.27Å; Q201-R205 VanDerWaalsContact O-CG 3.27Å; Q201-R205 WeakPolarHBondContact O-CG 3.35Å; Q201-R205 PolarHBondContact O-N 3.01Å; Q201-R205 VanDerWaalsContact O-N 3.13Å; Q201-R205 PolarHBondContact O-NE 3.48Å; Q201-R205 VanDerWaalsContact O-NE 3.07Å; K202-R205 PolarHBondContact O-N 3.37Å; Q203-R205 VanDerWaalsContact C-N 3.31Å; Q203-R205 PolarHBondContact O-N 2.83Å; R205-N208 PolarHBondContact O-N 3.49Å; R205-N209 WeakPolarHBondContact O-CB 3.4Å; R205-N209 PolarHBondContact O-N 3.01Å; R205-N209 PolarHBondContact O-ND2 3.31Å; R205-N209 PolarHBondContact O-OD1 2.72Å |
| 206 | E | 92.1 | Very high | 92 | Very high | 68 Ų | 68 | 84 Ų | 84 | 32% | 0.318 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.9 | -47.3 | 177.9 | -171.6 | 165.9 | -179.3 | 0 | 0 | 111.9 | K202 Q203 L204 N208 N209 R210 L388 | K202-E206 PolarHBondContact O-N 3.11Å; Q203-E206 PolarHBondContact O-N 2.94Å; L204-E206 VanDerWaalsContact C-N 3.35Å; E206-N208 PolarHBondContact O-N 3.19Å; E206-N209 PolarHBondContact O-N 3.34Å; E206-R210 WeakPolarHBondContact O-CG 3.32Å; E206-R210 PolarHBondContact O-N 3.45Å; E206-R210 IonicContact OE1-CZ 3.51Å; E206-R210 IonicContact OE1-NE 2.67Å; E206-R210 IonicContact OE1-NH2 3.79Å; E206-R210 PolarHBondContact OE1-NH2 2.99Å; E206-L388 HydrophobicContact CB-CD2 4.33Å; E206-L388 HydrophobicContact CG-CD2 3.88Å |
| 207 | L | 91.5 | Very high | 92.3 | Very high | 46 Ų | 46 | 81.2 Ų | 81.2 | 24% | 0.241 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -59.8 | -44 | 174.6 | -73 | 172.7 | 0 | 0 | 0 | 112.1 | Q203 N209 R210 E211 L388 L389 I392 | Q203-L207 WeakPolarHBondContact O-CG 3.37Å; Q203-L207 PolarHBondContact O-N 3.32Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.85Å; L207-R210 PolarHBondContact O-N 3.4Å; L207-E211 WeakPolarHBondContact O-CB 3.31Å; L207-E211 PolarHBondContact O-N 3.03Å; L207-L388 HydrophobicContact CD2-CD2 3.81Å; L207-L388 HydrophobicContact CG-CD2 4.07Å; L207-L389 HydrophobicContact CD1-CD2 4.3Å; L207-L389 HydrophobicContact CD2-CD2 4.2Å; L207-L389 HydrophobicContact CD2-CG 4.48Å; L207-I392 HydrophobicContact CD1-CD1 4.21Å |
| 208 | N | 94.4 | Very high | 92.4 | Very high | 77 Ų | 77 | 78.1 Ų | 78.1 | 41% | 0.412 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -64.8 | -36.9 | 176.8 | 176.6 | 76.6 | 0 | 0 | 0 | 112.2 | L204 R205 E206 N212 | L204-N208 VanDerWaalsContact O-CB 3.25Å; L204-N208 WeakPolarHBondContact O-CB 3.46Å; L204-N208 PolarHBondContact O-N 3.16Å; R205-N208 PolarHBondContact O-N 3.49Å; E206-N208 PolarHBondContact O-N 3.19Å; N208-N212 PolarHBondContact ND2-ND2 3.45Å; N208-N212 WeakPolarHBondContact O-CB 3.26Å; N208-N212 VanDerWaalsContact O-CG 3.24Å; N208-N212 PolarHBondContact O-N 2.9Å; N208-N212 PolarHBondContact O-ND2 2.92Å |
| 209 | N | 94 | Very high | 92.4 | Very high | 91 Ų | 91 | 81.4 Ų | 81.4 | 49% | 0.487 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -63.7 | -46.5 | 175 | -71.8 | -12.9 | 0 | 0 | 0 | 111.1 | R205 E206 L207 E211 N212 E213 | R205-N209 WeakPolarHBondContact O-CB 3.4Å; R205-N209 PolarHBondContact O-N 3.01Å; R205-N209 PolarHBondContact O-ND2 3.31Å; R205-N209 PolarHBondContact O-OD1 2.72Å; E206-N209 PolarHBondContact O-N 3.34Å; L207-N209 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.85Å; N209-E211 PolarHBondContact O-N 2.67Å; N209-N212 WeakPolarHBondContact O-CB 3.44Å; N209-N212 PolarHBondContact O-N 3.46Å; N209-N212 VanDerWaalsContact O-N 3.16Å; N209-E213 WeakPolarHBondContact O-CG 3.46Å; N209-E213 PolarHBondContact O-N 3.39Å |
| 210 | R | 90.8 | Very high | 92.6 | Very high | 41 Ų | 41 | 82.9 Ų | 82.9 | 16% | 0.155 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 177 | -66.3 | -175.3 | -167.3 | 175.6 | 0.2 | 112.5 | E206 L207 N212 E213 A214 S384 T385 L388 | E206-R210 WeakPolarHBondContact O-CG 3.32Å; E206-R210 PolarHBondContact O-N 3.45Å; E206-R210 IonicContact OE1-CZ 3.51Å; E206-R210 IonicContact OE1-NE 2.67Å; E206-R210 IonicContact OE1-NH2 3.79Å; E206-R210 PolarHBondContact OE1-NH2 2.99Å; L207-R210 PolarHBondContact O-N 3.4Å; R210-N212 VanDerWaalsContact C-N 3.3Å; R210-N212 PolarHBondContact O-N 3.05Å; R210-E213 PolarHBondContact O-N 3.19Å; R210-A214 WeakPolarHBondContact O-CB 3.48Å; R210-A214 PolarHBondContact O-N 3.27Å; R210-S384 PolarHBondContact NH1-O 2.9Å; R210-T385 HydrophobicContact CB-CG2 3.87Å; R210-T385 HydrophobicContact CG-CG2 4.34Å; R210-L388 VanDerWaalsContact NH1-CB 3.3Å |
| 211 | E | 90.7 | Very high | 92.8 | Very high | 101 Ų | 101 | 82.2 Ų | 82.2 | 47% | 0.472 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -61.7 | -40 | 173.6 | -167.2 | -168.5 | 157.7 | 0 | 0 | 111.4 | L207 N209 A214 K215 | L207-E211 WeakPolarHBondContact O-CB 3.31Å; L207-E211 PolarHBondContact O-N 3.03Å; N209-E211 PolarHBondContact O-N 2.67Å; E211-A214 PolarHBondContact O-N 2.82Å; E211-K215 WeakPolarHBondContact O-CB 3.45Å; E211-K215 VanDerWaalsContact O-CG 3.29Å; E211-K215 WeakPolarHBondContact O-CG 3.48Å; E211-K215 PolarHBondContact O-N 2.91Å; E211-K215 WeakPolarHBondContact OE1-CE 3.33Å; E211-K215 IonicContact OE1-NZ 3.06Å; E211-K215 PolarHBondContact OE1-NZ 3.33Å |
| 212 | N | 93.8 | Very high | 92.9 | Very high | 58 Ų | 58 | 82.7 Ų | 82.7 | 31% | 0.31 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.3 | -36.8 | 175.3 | -71 | -42.7 | 0 | 0 | 0 | 112.2 | N208 N209 R210 K215 R216 | N208-N212 PolarHBondContact ND2-ND2 3.45Å; N208-N212 WeakPolarHBondContact O-CB 3.26Å; N208-N212 VanDerWaalsContact O-CG 3.24Å; N208-N212 PolarHBondContact O-N 2.9Å; N208-N212 PolarHBondContact O-ND2 2.92Å; N209-N212 WeakPolarHBondContact O-CB 3.44Å; N209-N212 PolarHBondContact O-N 3.46Å; N209-N212 VanDerWaalsContact O-N 3.16Å; R210-N212 VanDerWaalsContact C-N 3.3Å; R210-N212 PolarHBondContact O-N 3.05Å; N212-K215 PolarHBondContact O-N 2.86Å; N212-R216 VanDerWaalsContact O-CG 3.26Å; N212-R216 WeakPolarHBondContact O-CG 3.27Å; N212-R216 PolarHBondContact O-N 3.31Å |
| 213 | E | 91.9 | Very high | 93.1 | Very high | 87 Ų | 87 | 80.2 Ų | 80.2 | 41% | 0.407 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -66 | -44.5 | 173.9 | -74.1 | 169.6 | 165.8 | 0 | 0 | 111.4 | N209 R210 K215 R216 L217 | N209-E213 WeakPolarHBondContact O-CG 3.46Å; N209-E213 PolarHBondContact O-N 3.39Å; R210-E213 PolarHBondContact O-N 3.19Å; E213-K215 VanDerWaalsContact C-N 3.35Å; E213-K215 PolarHBondContact O-N 3.48Å; E213-R216 WeakPolarHBondContact O-CB 3.32Å; E213-R216 PolarHBondContact O-N 2.83Å; E213-R216 VanDerWaalsContact O-N 3.15Å; E213-L217 WeakPolarHBondContact O-CG 3.48Å; E213-L217 PolarHBondContact O-N 3.47Å |
| 214 | A | 92 | Very high | 93.4 | Very high | 46 Ų | 46 | 80.4 Ų | 80.4 | 38% | 0.38 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -59.2 | -43.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | R210 E211 R216 L217 A218 | R210-A214 WeakPolarHBondContact O-CB 3.48Å; R210-A214 PolarHBondContact O-N 3.27Å; E211-A214 PolarHBondContact O-N 2.82Å; A214-R216 PolarHBondContact O-N 3.21Å; A214-L217 PolarHBondContact O-N 3.2Å; A214-A218 WeakPolarHBondContact O-CB 3.35Å; A214-A218 PolarHBondContact O-N 3.19Å |
| 215 | K | 93.1 | Very high | 93.5 | Very high | 96 Ų | 96 | 79.4 Ų | 79.4 | 42% | 0.417 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.2 | -45.4 | 173.7 | -76.1 | 170.3 | -174.4 | 163.8 | 0 | 111.8 | E211 N212 E213 L217 A218 E219 | E211-K215 WeakPolarHBondContact O-CB 3.45Å; E211-K215 VanDerWaalsContact O-CG 3.29Å; E211-K215 WeakPolarHBondContact O-CG 3.48Å; E211-K215 PolarHBondContact O-N 2.91Å; E211-K215 WeakPolarHBondContact OE1-CE 3.33Å; E211-K215 IonicContact OE1-NZ 3.06Å; E211-K215 PolarHBondContact OE1-NZ 3.33Å; N212-K215 PolarHBondContact O-N 2.86Å; E213-K215 VanDerWaalsContact C-N 3.35Å; E213-K215 PolarHBondContact O-N 3.48Å; K215-L217 VanDerWaalsContact C-N 3.35Å; K215-L217 PolarHBondContact O-N 2.94Å; K215-A218 PolarHBondContact O-N 2.97Å; K215-E219 WeakPolarHBondContact O-CG 3.31Å; K215-E219 PolarHBondContact O-N 3.44Å |
| 216 | R | 94.8 | Very high | 93.6 | Very high | 158 Ų | 158 | 78.5 Ų | 78.5 | 60% | 0.596 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -62.2 | -40.3 | 176.8 | -73.6 | 170.3 | -179.4 | -180 | 2.3 | 112.1 | N212 E213 A214 E219 K220 | N212-R216 VanDerWaalsContact O-CG 3.26Å; N212-R216 WeakPolarHBondContact O-CG 3.27Å; N212-R216 PolarHBondContact O-N 3.31Å; E213-R216 WeakPolarHBondContact O-CB 3.32Å; E213-R216 PolarHBondContact O-N 2.83Å; E213-R216 VanDerWaalsContact O-N 3.15Å; A214-R216 PolarHBondContact O-N 3.21Å; R216-E219 PolarHBondContact O-N 3.43Å; R216-K220 WeakPolarHBondContact O-CG 3.4Å; R216-K220 PolarHBondContact O-N 3.4Å; R216-K220 VanDerWaalsContact O-N 3.07Å |
| 217 | L | 93.9 | Very high | 93.7 | Very high | 20 Ų | 20 | 79 Ų | 79 | 11% | 0.105 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.9 | -42.7 | 176.1 | -70.8 | 175.1 | 0 | 0 | 0 | 111.4 | E213 A214 K215 E219 K220 E221 I374 L377 Q378 E381 | E213-L217 WeakPolarHBondContact O-CG 3.48Å; E213-L217 PolarHBondContact O-N 3.47Å; A214-L217 PolarHBondContact O-N 3.2Å; K215-L217 VanDerWaalsContact C-N 3.35Å; K215-L217 PolarHBondContact O-N 2.94Å; L217-E219 PolarHBondContact O-N 3.27Å; L217-K220 PolarHBondContact O-N 2.87Å; L217-E221 PolarHBondContact O-N 2.93Å; L217-I374 HydrophobicContact CB-CG2 4.37Å; L217-I374 HydrophobicContact CD2-CG2 4.43Å; L217-L377 HydrophobicContact CD1-CB 4.07Å; L217-L377 HydrophobicContact CD2-CB 4.37Å; L217-L377 HydrophobicContact CD2-CD1 4.29Å; L217-Q378 HydrophobicContact CB-CG 3.99Å; L217-Q378 HydrophobicContact CD1-CG 4.1Å; L217-E381 HydrophobicContact CD1-CG 4.15Å |
| 218 | A | 93.3 | Very high | 93.8 | Very high | 32 Ų | 32 | 78.8 Ų | 78.8 | 26% | 0.264 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.6 | -35.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | A214 K215 K222 | A214-A218 WeakPolarHBondContact O-CB 3.35Å; A214-A218 PolarHBondContact O-N 3.19Å; K215-A218 PolarHBondContact O-N 2.97Å; A218-K222 VanDerWaalsContact O-CG 3.27Å; A218-K222 WeakPolarHBondContact O-CG 3.26Å; A218-K222 PolarHBondContact O-N 2.87Å |
| 219 | E | 95.3 | Very high | 93.8 | Very high | 119 Ų | 119 | 77.3 Ų | 77.3 | 56% | 0.556 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -64.6 | -46.3 | 172.4 | -75.7 | 173.3 | 176.5 | 0 | 0 | 111.5 | K215 R216 L217 E221 K222 D223 | K215-E219 WeakPolarHBondContact O-CG 3.31Å; K215-E219 PolarHBondContact O-N 3.44Å; R216-E219 PolarHBondContact O-N 3.43Å; L217-E219 PolarHBondContact O-N 3.27Å; E219-E221 VanDerWaalsContact C-N 3.35Å; E219-E221 PolarHBondContact O-N 3.42Å; E219-K222 WeakPolarHBondContact O-CB 3.4Å; E219-K222 PolarHBondContact O-N 2.93Å; E219-D223 PolarHBondContact O-N 3.21Å |
| 220 | K | 94.3 | Very high | 93.9 | Very high | 121 Ų | 121 | 79 Ų | 79 | 53% | 0.526 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.1 | -43.4 | 175.6 | -72.3 | 175.5 | -179.2 | -179.4 | 0 | 112.2 | R216 L217 K222 D223 L224 I374 | R216-K220 WeakPolarHBondContact O-CG 3.4Å; R216-K220 PolarHBondContact O-N 3.4Å; R216-K220 VanDerWaalsContact O-N 3.07Å; L217-K220 PolarHBondContact O-N 2.87Å; K220-K222 PolarHBondContact O-N 3.45Å; K220-D223 PolarHBondContact O-N 2.93Å; K220-L224 WeakPolarHBondContact O-CG 3.2Å; K220-L224 PolarHBondContact O-N 3.48Å; K220-I374 HydrophobicContact CB-CD1 3.85Å |
| 221 | E | 93.1 | Very high | 94.1 | Very high | 38 Ų | 38 | 78 Ų | 78 | 18% | 0.178 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -58.6 | -47.1 | 175.3 | -174.4 | -175.8 | 178.8 | 0 | 0 | 111.2 | L217 E219 D223 L224 M225 L371 I374 Q378 | L217-E221 PolarHBondContact O-N 2.93Å; E219-E221 VanDerWaalsContact C-N 3.35Å; E219-E221 PolarHBondContact O-N 3.42Å; E221-D223 VanDerWaalsContact C-N 3.31Å; E221-D223 PolarHBondContact O-N 3.29Å; E221-L224 PolarHBondContact O-N 3.43Å; E221-M225 HydrophobicContact CG-CE 3.91Å; E221-M225 WeakPolarHBondContact O-CG 3.31Å; E221-M225 PolarHBondContact O-N 3.24Å; E221-M225 VanDerWaalsContact OE1-CE 3.31Å; E221-M225 WeakPolarHBondContact OE1-CE 3.42Å; E221-L371 HydrophobicContact CG-CD2 3.8Å; E221-I374 HydrophobicContact CB-CG2 4.25Å; E221-Q378 PolarHBondContact OE2-NE2 2.97Å |
| 222 | K | 95.1 | Very high | 94.2 | Very high | 128 Ų | 128 | 76.2 Ų | 76.2 | 56% | 0.557 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -60.7 | -39.8 | 176.4 | -74.3 | 171.3 | -175.8 | 175 | 0 | 112.3 | A218 E219 K220 M225 K226 | A218-K222 VanDerWaalsContact O-CG 3.27Å; A218-K222 WeakPolarHBondContact O-CG 3.26Å; A218-K222 PolarHBondContact O-N 2.87Å; E219-K222 WeakPolarHBondContact O-CB 3.4Å; E219-K222 PolarHBondContact O-N 2.93Å; K220-K222 PolarHBondContact O-N 3.45Å; K222-M225 PolarHBondContact O-N 3.05Å; K222-K226 WeakPolarHBondContact O-CG 3.34Å; K222-K226 PolarHBondContact O-N 3.46Å |
| 223 | D | 96.1 | Very high | 94.3 | Very high | 79 Ų | 79 | 77.9 Ų | 77.9 | 42% | 0.422 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -68 | -41 | 178.5 | -71.3 | -21.3 | 0 | 0 | 0 | 111.7 | E219 K220 E221 M225 K226 E227 | E219-D223 PolarHBondContact O-N 3.21Å; K220-D223 PolarHBondContact O-N 2.93Å; E221-D223 VanDerWaalsContact C-N 3.31Å; E221-D223 PolarHBondContact O-N 3.29Å; D223-M225 VanDerWaalsContact C-N 3.33Å; D223-M225 PolarHBondContact O-N 3.46Å; D223-K226 WeakPolarHBondContact O-CB 3.42Å; D223-K226 PolarHBondContact O-N 3.4Å; D223-K226 VanDerWaalsContact O-N 3.15Å; D223-K226 IonicContact OD1-NZ 2.64Å; D223-K226 PolarHBondContact OD1-NZ 3Å; D223-E227 PolarHBondContact O-N 3.39Å |
| 224 | L | 95.3 | Very high | 94.3 | Very high | 16 Ų | 16 | 77.3 Ų | 77.3 | 8% | 0.084 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -62.9 | -38.2 | 172 | -70 | 179.5 | 0 | 0 | 0 | 112.6 | K220 E221 K226 E227 L228 I367 Q370 L371 I374 | K220-L224 WeakPolarHBondContact O-CG 3.2Å; K220-L224 PolarHBondContact O-N 3.48Å; E221-L224 PolarHBondContact O-N 3.43Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-K226 PolarHBondContact O-N 3.23Å; L224-E227 WeakPolarHBondContact O-CB 3.37Å; L224-E227 PolarHBondContact O-N 2.86Å; L224-L228 PolarHBondContact O-N 3.46Å; L224-I367 HydrophobicContact CB-CG2 3.94Å; L224-I367 HydrophobicContact CD2-CG2 4.12Å; L224-I367 HydrophobicContact CG-CG2 4.46Å; L224-Q370 HydrophobicContact CD1-CB 3.67Å; L224-Q370 VanDerWaalsContact CD2-OE1 3.24Å; L224-L371 HydrophobicContact CB-CD2 3.82Å; L224-L371 HydrophobicContact CB-CG 4.16Å; L224-L371 HydrophobicContact CD1-CD2 3.95Å; L224-L371 HydrophobicContact CD1-CG 4.06Å; L224-I374 HydrophobicContact CD1-CD1 3.54Å |
| 225 | M | 94.7 | Very high | 94.3 | Very high | 94 Ų | 94 | 77.8 Ų | 77.8 | 46% | 0.463 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -63.6 | -37.5 | 173.4 | -72.4 | -177.3 | 179.3 | 0 | 0 | 112.2 | E221 K222 D223 E227 L228 A229 | E221-M225 HydrophobicContact CG-CE 3.91Å; E221-M225 WeakPolarHBondContact O-CG 3.31Å; E221-M225 PolarHBondContact O-N 3.24Å; E221-M225 VanDerWaalsContact OE1-CE 3.31Å; E221-M225 WeakPolarHBondContact OE1-CE 3.42Å; K222-M225 PolarHBondContact O-N 3.05Å; D223-M225 VanDerWaalsContact C-N 3.33Å; D223-M225 PolarHBondContact O-N 3.46Å; M225-E227 VanDerWaalsContact C-N 3.34Å; M225-L228 PolarHBondContact O-N 2.87Å; M225-A229 WeakPolarHBondContact O-CB 3.39Å; M225-A229 PolarHBondContact O-N 3.35Å |
| 226 | K | 95.8 | Very high | 94.3 | Very high | 132 Ų | 132 | 78.3 Ų | 78.3 | 57% | 0.574 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -65.4 | -38.7 | 172.6 | -67.3 | 168.1 | -162.9 | 158.6 | 0 | 111.3 | K222 D223 L224 A229 R230 | K222-K226 WeakPolarHBondContact O-CG 3.34Å; K222-K226 PolarHBondContact O-N 3.46Å; D223-K226 WeakPolarHBondContact O-CB 3.42Å; D223-K226 PolarHBondContact O-N 3.4Å; D223-K226 VanDerWaalsContact O-N 3.15Å; D223-K226 IonicContact OD1-NZ 2.64Å; D223-K226 PolarHBondContact OD1-NZ 3Å; L224-K226 VanDerWaalsContact C-N 3.32Å; L224-K226 PolarHBondContact O-N 3.23Å; K226-A229 PolarHBondContact O-N 2.94Å; K226-R230 WeakPolarHBondContact O-CB 3.38Å; K226-R230 PolarHBondContact O-N 3.07Å |
| 227 | E | 93.8 | Very high | 94.2 | Very high | 79 Ų | 79 | 75 Ų | 75 | 37% | 0.369 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -63.1 | -44.5 | 175.1 | -71 | -168.7 | -172.7 | 0 | 0 | 111.9 | D223 L224 M225 R230 I231 R363 I367 | D223-E227 PolarHBondContact O-N 3.39Å; L224-E227 WeakPolarHBondContact O-CB 3.37Å; L224-E227 PolarHBondContact O-N 2.86Å; M225-E227 VanDerWaalsContact C-N 3.34Å; E227-R230 WeakPolarHBondContact O-CB 3.39Å; E227-R230 PolarHBondContact O-N 3.13Å; E227-R230 VanDerWaalsContact O-N 3.14Å; E227-I231 WeakPolarHBondContact O-CG1 3.39Å; E227-I231 PolarHBondContact O-N 2.98Å; E227-R363 IonicContact OE2-CZ 3.49Å; E227-R363 IonicContact OE2-NH2 3.26Å; E227-R363 PolarHBondContact OE2-NH2 3.02Å; E227-I367 HydrophobicContact CB-CD1 3.93Å |
| 228 | L | 93.9 | Very high | 94 | Very high | 42 Ų | 42 | 79.4 Ų | 79.4 | 22% | 0.22 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -58.5 | -49.1 | 173.3 | -75.5 | 174.9 | 0 | 0 | 0 | 111.4 | L224 M225 R230 I231 D232 R364 I367 L371 | L224-L228 PolarHBondContact O-N 3.46Å; M225-L228 PolarHBondContact O-N 2.87Å; L228-R230 PolarHBondContact O-N 2.86Å; L228-I231 WeakPolarHBondContact O-CB 3.42Å; L228-I231 PolarHBondContact O-N 3.39Å; L228-I231 VanDerWaalsContact O-N 3.08Å; L228-D232 PolarHBondContact O-N 3.18Å; L228-R364 HydrophobicContact CD2-CG 4.26Å; L228-I367 HydrophobicContact CD1-CG2 3.92Å; L228-I367 HydrophobicContact CD2-CB 3.91Å; L228-I367 HydrophobicContact CD2-CD1 4.01Å; L228-I367 HydrophobicContact CD2-CG2 3.83Å; L228-I367 HydrophobicContact CG-CB 4.23Å; L228-I367 HydrophobicContact CG-CD1 4.35Å; L228-I367 HydrophobicContact CG-CG2 3.57Å; L228-L371 HydrophobicContact CD1-CD1 3.62Å |
| 229 | A | 94.8 | Very high | 93.9 | Very high | 46 Ų | 46 | 84 Ų | 84 | 38% | 0.38 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -59.8 | -34.5 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | M225 K226 D232 Q233 | M225-A229 WeakPolarHBondContact O-CB 3.39Å; M225-A229 PolarHBondContact O-N 3.35Å; K226-A229 PolarHBondContact O-N 2.94Å; A229-D232 PolarHBondContact O-N 2.97Å; A229-Q233 VanDerWaalsContact O-CG 3.29Å; A229-Q233 WeakPolarHBondContact O-CG 3.39Å; A229-Q233 PolarHBondContact O-N 3.49Å |
| 230 | R | 95.8 | Very high | 93.8 | Very high | 127 Ų | 127 | 85.2 Ų | 85.2 | 48% | 0.479 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -69.3 | -39.4 | 176.1 | -174.7 | 59.2 | 179.5 | 164.1 | 5.8 | 111.9 | K226 E227 L228 D232 Q233 L234 | K226-R230 WeakPolarHBondContact O-CB 3.38Å; K226-R230 PolarHBondContact O-N 3.07Å; E227-R230 WeakPolarHBondContact O-CB 3.39Å; E227-R230 PolarHBondContact O-N 3.13Å; E227-R230 VanDerWaalsContact O-N 3.14Å; L228-R230 PolarHBondContact O-N 2.86Å; R230-D232 VanDerWaalsContact C-N 3.34Å; R230-Q233 WeakPolarHBondContact O-CB 3.21Å; R230-Q233 PolarHBondContact O-N 3.37Å; R230-L234 WeakPolarHBondContact O-CG 3.48Å; R230-L234 PolarHBondContact O-N 3.46Å |
| 231 | I | 95 | Very high | 93.7 | Very high | 20 Ų | 20 | 83.2 Ų | 83.2 | 10% | 0.103 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 174.8 | -70 | 161.5 | 0 | 0 | 0 | 110.3 | E227 L228 Q233 L234 E235 I360 R363 R364 I367 | E227-I231 WeakPolarHBondContact O-CG1 3.39Å; E227-I231 PolarHBondContact O-N 2.98Å; L228-I231 WeakPolarHBondContact O-CB 3.42Å; L228-I231 PolarHBondContact O-N 3.39Å; L228-I231 VanDerWaalsContact O-N 3.08Å; I231-Q233 VanDerWaalsContact C-N 3.31Å; I231-Q233 PolarHBondContact O-N 3.07Å; I231-L234 PolarHBondContact O-N 3.31Å; I231-L234 VanDerWaalsContact O-N 3.13Å; I231-E235 PolarHBondContact O-N 3.34Å; I231-I360 HydrophobicContact CG2-CG2 3.76Å; I231-R363 HydrophobicContact CD1-CB 4.32Å; I231-R363 HydrophobicContact CD1-CG 3.44Å; I231-R363 VanDerWaalsContact CD1-CG 3.44Å; I231-R363 HydrophobicContact CG1-CG 4.4Å; I231-R364 HydrophobicContact CG2-CG 4.27Å; I231-I367 HydrophobicContact CD1-CD1 3.32Å |
| 232 | D | 93.4 | Very high | 93.5 | Very high | 63 Ų | 63 | 83.7 Ų | 83.7 | 34% | 0.337 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -61.2 | -40.6 | 177.3 | -64 | -14.3 | 0 | 0 | 0 | 111.7 | L228 A229 R230 E235 Q236 R364 | L228-D232 PolarHBondContact O-N 3.18Å; A229-D232 PolarHBondContact O-N 2.97Å; R230-D232 VanDerWaalsContact C-N 3.34Å; D232-E235 PolarHBondContact O-N 3.34Å; D232-Q236 VanDerWaalsContact O-CG 3.3Å; D232-Q236 WeakPolarHBondContact O-CG 3.48Å; D232-Q236 PolarHBondContact O-N 3.35Å; D232-R364 IonicContact OD1-CZ 3.54Å; D232-R364 IonicContact OD1-NE 3.06Å; D232-R364 IonicContact OD1-NH2 3.82Å; D232-R364 PolarHBondContact OD1-NH2 3.43Å |
| 233 | Q | 95 | Very high | 93.3 | Very high | 92 Ų | 92 | 80.5 Ų | 80.5 | 43% | 0.43 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -61.4 | -45 | 173.6 | -72.9 | 171 | 6.2 | 0 | 0 | 111.9 | A229 R230 I231 E235 Q236 E237 | A229-Q233 VanDerWaalsContact O-CG 3.29Å; A229-Q233 WeakPolarHBondContact O-CG 3.39Å; A229-Q233 PolarHBondContact O-N 3.49Å; R230-Q233 WeakPolarHBondContact O-CB 3.21Å; R230-Q233 PolarHBondContact O-N 3.37Å; I231-Q233 VanDerWaalsContact C-N 3.31Å; I231-Q233 PolarHBondContact O-N 3.07Å; Q233-E235 VanDerWaalsContact C-N 3.34Å; Q233-E235 PolarHBondContact O-N 2.86Å; Q233-Q236 PolarHBondContact O-N 2.89Å; Q233-E237 WeakPolarHBondContact O-CG 3.17Å; Q233-E237 PolarHBondContact O-N 2.84Å |
| 234 | L | 91.8 | Very high | 93.2 | Very high | 76 Ų | 76 | 83.3 Ų | 83.3 | 40% | 0.398 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -65 | -38.1 | 178.9 | -70.8 | 172.3 | 0 | 0 | 0 | 111.8 | R230 I231 E237 R238 | R230-L234 WeakPolarHBondContact O-CG 3.48Å; R230-L234 PolarHBondContact O-N 3.46Å; I231-L234 PolarHBondContact O-N 3.31Å; I231-L234 VanDerWaalsContact O-N 3.13Å; L234-E237 PolarHBondContact O-N 3.37Å; L234-R238 WeakPolarHBondContact O-CB 3.29Å; L234-R238 VanDerWaalsContact O-CG 3.29Å; L234-R238 WeakPolarHBondContact O-CG 3.23Å; L234-R238 PolarHBondContact O-N 3.48Å |
| 235 | E | 91.9 | Very high | 92.8 | Very high | 56 Ų | 56 | 85.5 Ų | 85.5 | 26% | 0.262 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 174.2 | -169.1 | 175.6 | -141.9 | 0 | 0 | 111.1 | I231 D232 Q233 R238 Y239 I360 R364 | I231-E235 PolarHBondContact O-N 3.34Å; D232-E235 PolarHBondContact O-N 3.34Å; Q233-E235 VanDerWaalsContact C-N 3.34Å; Q233-E235 PolarHBondContact O-N 2.86Å; E235-R238 WeakPolarHBondContact O-CB 3.26Å; E235-R238 PolarHBondContact O-N 2.86Å; E235-Y239 WeakPolarHBondContact O-CB 3.45Å; E235-Y239 PolarHBondContact O-N 2.95Å; E235-I360 HydrophobicContact CB-CD1 4.15Å; E235-I360 HydrophobicContact CG-CD1 4.16Å; E235-R364 IonicContact OE1-NH1 3.8Å; E235-R364 PolarHBondContact OE1-NH1 3.34Å; E235-R364 IonicContact OE2-CZ 3.86Å; E235-R364 VanDerWaalsContact OE2-CZ 3.26Å; E235-R364 IonicContact OE2-NH1 3.64Å; E235-R364 PolarHBondContact OE2-NH1 3.07Å; E235-R364 IonicContact OE2-NH2 2.84Å; E235-R364 PolarHBondContact OE2-NH2 2.84Å |
| 236 | Q | 93.5 | Very high | 92.5 | Very high | 107 Ų | 107 | 85.6 Ų | 85.6 | 50% | 0.5 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 175.3 | -71.4 | 175.5 | 17.2 | 0 | 0 | 112.8 | D232 Q233 R238 Y239 R240 | D232-Q236 VanDerWaalsContact O-CG 3.3Å; D232-Q236 WeakPolarHBondContact O-CG 3.48Å; D232-Q236 PolarHBondContact O-N 3.35Å; Q233-Q236 PolarHBondContact O-N 2.89Å; Q236-R238 VanDerWaalsContact C-N 3.29Å; Q236-R238 PolarHBondContact O-N 3.36Å; Q236-Y239 PolarHBondContact O-N 2.92Å; Q236-R240 VanDerWaalsContact O-CG 3.32Å; Q236-R240 WeakPolarHBondContact O-CG 3.35Å; Q236-R240 PolarHBondContact O-N 2.87Å |
| 237 | E | 92.8 | Very high | 92.2 | Very high | 89 Ų | 89 | 87.6 Ų | 87.6 | 42% | 0.416 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.5 | -41.7 | 174.3 | -76.1 | 177.3 | -178.6 | 0 | 0 | 111.1 | Q233 L234 R240 I241 | Q233-E237 WeakPolarHBondContact O-CG 3.17Å; Q233-E237 PolarHBondContact O-N 2.84Å; L234-E237 PolarHBondContact O-N 3.37Å; E237-R240 PolarHBondContact O-N 3.39Å; E237-I241 WeakPolarHBondContact O-CG1 3.39Å; E237-I241 PolarHBondContact O-N 2.9Å; E237-I241 VanDerWaalsContact O-N 3.07Å |
| 238 | R | 89.8 | Confident | 92 | Very high | 111 Ų | 111 | 89.1 Ų | 89.1 | 42% | 0.419 | 41% | 0.406 | S | S | . | . | H | α-helix | trans | -63.7 | -47.3 | 175.1 | -75.4 | -70 | 173.7 | -152.8 | -2.1 | 111.9 | L234 E235 Q236 R240 I241 E242 L356 | L234-R238 WeakPolarHBondContact O-CB 3.29Å; L234-R238 VanDerWaalsContact O-CG 3.29Å; L234-R238 WeakPolarHBondContact O-CG 3.23Å; L234-R238 PolarHBondContact O-N 3.48Å; E235-R238 WeakPolarHBondContact O-CB 3.26Å; E235-R238 PolarHBondContact O-N 2.86Å; Q236-R238 VanDerWaalsContact C-N 3.29Å; Q236-R238 PolarHBondContact O-N 3.36Å; R238-R240 VanDerWaalsContact C-N 3.27Å; R238-R240 PolarHBondContact O-N 3.31Å; R238-I241 WeakPolarHBondContact O-CB 3.48Å; R238-I241 PolarHBondContact O-N 2.84Å; R238-E242 WeakPolarHBondContact O-CG 3.44Å; R238-E242 PolarHBondContact O-N 3.02Å; R238-L356 HydrophobicContact CG-CD1 4.4Å |
| 239 | Y | 91 | Very high | 91.6 | Very high | 128 Ų | 128 | 92 Ų | 92 | 50% | 0.502 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -56.6 | -41.6 | 176.1 | -176 | -100.4 | 0 | 0 | 0 | 111.9 | E235 Q236 I241 E242 E243 | E235-Y239 WeakPolarHBondContact O-CB 3.45Å; E235-Y239 PolarHBondContact O-N 2.95Å; Q236-Y239 PolarHBondContact O-N 2.92Å; Y239-I241 PolarHBondContact O-N 3.33Å; Y239-E242 PolarHBondContact O-N 2.83Å; Y239-E243 HydrophobicContact CD1-CG 4.26Å; Y239-E243 HydrophobicContact CE1-CG 3.8Å; Y239-E243 WeakPolarHBondContact CE1-OE1 3.29Å; Y239-E243 WeakPolarHBondContact O-CG 3.47Å; Y239-E243 PolarHBondContact O-N 2.95Å; Y239-E243 PolarHBondContact OH-OE1 3.39Å |
| 240 | R | 93.8 | Very high | 91.3 | Very high | 146 Ų | 146 | 98.2 Ų | 98.2 | 55% | 0.551 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -62.9 | -40 | 174.6 | -70.4 | 172 | -170.5 | 172.3 | 5.6 | 113.1 | Q236 E237 R238 K244 | Q236-R240 VanDerWaalsContact O-CG 3.32Å; Q236-R240 WeakPolarHBondContact O-CG 3.35Å; Q236-R240 PolarHBondContact O-N 2.87Å; E237-R240 PolarHBondContact O-N 3.39Å; R238-R240 VanDerWaalsContact C-N 3.27Å; R238-R240 PolarHBondContact O-N 3.31Å; R240-K244 WeakPolarHBondContact O-CG 3.28Å; R240-K244 PolarHBondContact O-N 3.39Å |
| 241 | I | 90.8 | Very high | 90.8 | Very high | 79 Ų | 79 | 93.7 Ų | 93.7 | 41% | 0.405 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -64.8 | -44.2 | 176.3 | -67.8 | 165 | 0 | 0 | 0 | 109.7 | E237 R238 Y239 E243 K244 C245 | E237-I241 WeakPolarHBondContact O-CG1 3.39Å; E237-I241 PolarHBondContact O-N 2.9Å; E237-I241 VanDerWaalsContact O-N 3.07Å; R238-I241 WeakPolarHBondContact O-CB 3.48Å; R238-I241 PolarHBondContact O-N 2.84Å; Y239-I241 PolarHBondContact O-N 3.33Å; I241-E243 PolarHBondContact O-N 3.42Å; I241-K244 WeakPolarHBondContact O-CB 3.48Å; I241-K244 PolarHBondContact O-N 2.99Å; I241-C245 PolarHBondContact O-N 2.85Å; I241-C245 PolarHBondContact O-SG 3.41Å; I241-C245 VanDerWaalsContact O-SG 3.33Å |
| 242 | E | 89.6 | Confident | 90.5 | Very high | 48 Ų | 48 | 100 Ų | 100 | 22% | 0.224 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 177.3 | -68.3 | -175.7 | 171.7 | 0 | 0 | 112.6 | R238 Y239 K244 C245 K246 Q353 | R238-E242 WeakPolarHBondContact O-CG 3.44Å; R238-E242 PolarHBondContact O-N 3.02Å; Y239-E242 PolarHBondContact O-N 2.83Å; E242-K244 VanDerWaalsContact C-N 3.33Å; E242-K244 PolarHBondContact O-N 2.88Å; E242-C245 PolarHBondContact O-N 3.32Å; E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 VanDerWaalsContact O-CG 3.31Å; E242-K246 WeakPolarHBondContact O-CG 3.43Å; E242-K246 PolarHBondContact O-N 3.14Å; E242-Q353 WeakPolarHBondContact OE1-CG 3.4Å; E242-Q353 PolarHBondContact OE1-NE2 3.3Å; E242-Q353 PolarHBondContact OE2-NE2 3.15Å |
| 243 | E | 91.2 | Very high | 90 | Very high | 61 Ų | 61 | 99.8 Ų | 99.8 | 29% | 0.285 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.2 | -42 | 174.3 | -76.1 | -167.2 | 155.5 | 0 | 0 | 111.9 | Y239 I241 K246 R247 | Y239-E243 HydrophobicContact CD1-CG 4.26Å; Y239-E243 HydrophobicContact CE1-CG 3.8Å; Y239-E243 WeakPolarHBondContact CE1-OE1 3.29Å; Y239-E243 WeakPolarHBondContact O-CG 3.47Å; Y239-E243 PolarHBondContact O-N 2.95Å; Y239-E243 PolarHBondContact OH-OE1 3.39Å; I241-E243 PolarHBondContact O-N 3.42Å; E243-K246 PolarHBondContact O-N 3.38Å; E243-R247 WeakPolarHBondContact O-CB 3.5Å; E243-R247 VanDerWaalsContact O-CG 3.25Å; E243-R247 WeakPolarHBondContact O-CG 3.46Å; E243-R247 PolarHBondContact O-N 3.45Å; E243-R247 IonicContact OE2-NH2 3.83Å |
| 244 | K | 92.5 | Very high | 89.5 | Confident | 137 Ų | 137 | 99.7 Ų | 99.7 | 60% | 0.596 | 46% | 0.461 | S | S | * | . | H | α-helix | trans | -60.9 | -48.9 | 174.7 | -75.1 | 176.3 | 179.2 | -175.8 | 0 | 111.2 | R240 I241 E242 K246 R247 E248 | R240-K244 WeakPolarHBondContact O-CG 3.28Å; R240-K244 PolarHBondContact O-N 3.39Å; I241-K244 WeakPolarHBondContact O-CB 3.48Å; I241-K244 PolarHBondContact O-N 2.99Å; E242-K244 VanDerWaalsContact C-N 3.33Å; E242-K244 PolarHBondContact O-N 2.88Å; K244-K246 VanDerWaalsContact C-N 3.35Å; K244-K246 PolarHBondContact O-N 3.15Å; K244-R247 PolarHBondContact O-N 2.9Å; K244-E248 WeakPolarHBondContact O-CG 3.22Å; K244-E248 PolarHBondContact O-N 3.21Å |
| 245 | C | 87.3 | Confident | 89.2 | Confident | 62 Ų | 62 | 101.1 Ų | 101.1 | 42% | 0.419 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -60.2 | -43.6 | 177.4 | -67.8 | 0 | 0 | 0 | 0 | 111.8 | I241 E242 R247 E248 L249 | I241-C245 PolarHBondContact O-N 2.85Å; I241-C245 PolarHBondContact O-SG 3.41Å; I241-C245 VanDerWaalsContact O-SG 3.33Å; E242-C245 PolarHBondContact O-N 3.32Å; C245-R247 PolarHBondContact O-N 2.77Å; C245-E248 PolarHBondContact O-N 3.27Å; C245-L249 WeakPolarHBondContact O-CB 3.49Å; C245-L249 VanDerWaalsContact O-CG 3.25Å; C245-L249 WeakPolarHBondContact O-CG 3.45Å; C245-L249 PolarHBondContact O-N 3.42Å |
| 246 | K | 88.9 | Confident | 88.7 | Confident | 97 Ų | 97 | 104 Ų | 104 | 42% | 0.422 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -59.9 | -45.6 | 175.3 | -74.3 | 172.9 | -176.3 | 172.1 | 0 | 111.4 | E242 E243 K244 E248 L249 Y250 | E242-K246 WeakPolarHBondContact O-CB 3.49Å; E242-K246 VanDerWaalsContact O-CG 3.31Å; E242-K246 WeakPolarHBondContact O-CG 3.43Å; E242-K246 PolarHBondContact O-N 3.14Å; E243-K246 PolarHBondContact O-N 3.38Å; K244-K246 VanDerWaalsContact C-N 3.35Å; K244-K246 PolarHBondContact O-N 3.15Å; K246-E248 PolarHBondContact O-N 3.08Å; K246-L249 PolarHBondContact O-N 3.45Å; K246-Y250 HydrophobicContact CB-CE2 4.3Å; K246-Y250 WeakPolarHBondContact O-CD2 3.44Å; K246-Y250 PolarHBondContact O-N 3.3Å |
| 247 | R | 90.4 | Very high | 88.2 | Confident | 174 Ų | 174 | 105.1 Ų | 105.1 | 66% | 0.657 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -62.3 | -42.2 | 177.1 | -72 | 174.5 | -167.2 | -169.2 | 7.3 | 112.2 | E243 K244 C245 Y250 G251 | E243-R247 WeakPolarHBondContact O-CB 3.5Å; E243-R247 VanDerWaalsContact O-CG 3.25Å; E243-R247 WeakPolarHBondContact O-CG 3.46Å; E243-R247 PolarHBondContact O-N 3.45Å; E243-R247 IonicContact OE2-NH2 3.83Å; K244-R247 PolarHBondContact O-N 2.9Å; C245-R247 PolarHBondContact O-N 2.77Å; R247-Y250 PolarHBondContact O-N 3.39Å; R247-G251 PolarHBondContact O-N 2.83Å |
| 248 | E | 89.5 | Confident | 87.6 | Confident | 111 Ų | 111 | 105.8 Ų | 105.8 | 52% | 0.519 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.9 | -41.1 | 176 | -73.4 | 177.4 | -168.3 | 0 | 0 | 112 | K244 C245 K246 G251 R252 | K244-E248 WeakPolarHBondContact O-CG 3.22Å; K244-E248 PolarHBondContact O-N 3.21Å; C245-E248 PolarHBondContact O-N 3.27Å; K246-E248 PolarHBondContact O-N 3.08Å; E248-G251 PolarHBondContact O-N 3.2Å; E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 2.81Å |
| 249 | L | 85.5 | Confident | 87.3 | Confident | 103 Ų | 103 | 104.8 Ų | 104.8 | 54% | 0.539 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.6 | -46 | 174.3 | -71.7 | 172.1 | 0 | 0 | 0 | 111.4 | C245 K246 G251 R252 A253 | C245-L249 WeakPolarHBondContact O-CB 3.49Å; C245-L249 VanDerWaalsContact O-CG 3.25Å; C245-L249 WeakPolarHBondContact O-CG 3.45Å; C245-L249 PolarHBondContact O-N 3.42Å; K246-L249 PolarHBondContact O-N 3.45Å; L249-G251 VanDerWaalsContact C-N 3.34Å; L249-G251 PolarHBondContact O-N 3.12Å; L249-R252 PolarHBondContact O-N 2.9Å; L249-A253 WeakPolarHBondContact O-CB 3.22Å; L249-A253 PolarHBondContact O-N 2.94Å |
| 250 | Y | 87.1 | Confident | 86.7 | Confident | 175 Ų | 175 | 102 Ų | 102 | 69% | 0.686 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.7 | -40.1 | 174.5 | -71.5 | -56.4 | 0 | 0 | 0 | 112.3 | K246 R247 A253 L254 | K246-Y250 HydrophobicContact CB-CE2 4.3Å; K246-Y250 WeakPolarHBondContact O-CD2 3.44Å; K246-Y250 PolarHBondContact O-N 3.3Å; R247-Y250 PolarHBondContact O-N 3.39Å; Y250-A253 PolarHBondContact O-N 2.92Å; Y250-L254 WeakPolarHBondContact O-CB 3.36Å; Y250-L254 PolarHBondContact O-N 3.43Å |
| 251 | G | 86.6 | Confident | 86.2 | Confident | 33 Ų | 33 | 97.7 Ų | 97.7 | 34% | 0.34 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.1 | -44.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | R247 E248 L249 L254 L255 | R247-G251 PolarHBondContact O-N 2.83Å; E248-G251 PolarHBondContact O-N 3.2Å; L249-G251 VanDerWaalsContact C-N 3.34Å; L249-G251 PolarHBondContact O-N 3.12Å; G251-L254 PolarHBondContact O-N 3.48Å; G251-L255 WeakPolarHBondContact O-CG 3.19Å; G251-L255 PolarHBondContact O-N 3.35Å |
| 252 | R | 87 | Confident | 85.7 | Confident | 151 Ų | 151 | 99.3 Ų | 99.3 | 57% | 0.57 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.1 | -44.1 | 175 | -71.6 | 176.7 | -170.2 | -169.9 | 5.2 | 111.8 | E248 L249 L254 L255 H256 | E248-R252 WeakPolarHBondContact O-CG 3.38Å; E248-R252 PolarHBondContact O-N 2.81Å; L249-R252 PolarHBondContact O-N 2.9Å; R252-L254 VanDerWaalsContact C-N 3.31Å; R252-L254 PolarHBondContact O-N 2.86Å; R252-L255 PolarHBondContact O-N 2.91Å; R252-H256 PolarHBondContact O-CD2 3.34Å; R252-H256 PolarHBondContact O-N 3.27Å |
| 253 | A | 82.9 | Confident | 85.3 | Confident | 59 Ų | 59 | 105.1 Ų | 105.1 | 49% | 0.488 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.7 | -42.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | L249 Y250 H256 Q257 | L249-A253 WeakPolarHBondContact O-CB 3.22Å; L249-A253 PolarHBondContact O-N 2.94Å; Y250-A253 PolarHBondContact O-N 2.92Å; A253-H256 PolarHBondContact O-N 3.01Å; A253-Q257 PolarHBondContact O-N 2.93Å |
| 254 | L | 86.2 | Confident | 84.7 | Confident | 91 Ų | 91 | 109.3 Ų | 109.3 | 48% | 0.476 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -43.2 | 176.5 | -174.4 | 63.5 | 0 | 0 | 0 | 112 | Y250 G251 R252 H256 Q257 H258 | Y250-L254 WeakPolarHBondContact O-CB 3.36Å; Y250-L254 PolarHBondContact O-N 3.43Å; G251-L254 PolarHBondContact O-N 3.48Å; R252-L254 VanDerWaalsContact C-N 3.31Å; R252-L254 PolarHBondContact O-N 2.86Å; L254-H256 PolarHBondContact O-N 2.86Å; L254-Q257 WeakPolarHBondContact O-CB 3.39Å; L254-Q257 PolarHBondContact O-N 3.25Å; L254-H258 PolarHBondContact O-CD2 2.97Å; L254-H258 PolarHBondContact O-N 3.27Å |
| 255 | L | 84 | Confident | 84.1 | Confident | 105 Ų | 105 | 111 Ų | 111 | 55% | 0.55 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.1 | -43.9 | 174.8 | -74.9 | 173.1 | 0 | 0 | 0 | 111.9 | G251 R252 Q257 H258 Q259 | G251-L255 WeakPolarHBondContact O-CG 3.19Å; G251-L255 PolarHBondContact O-N 3.35Å; R252-L255 PolarHBondContact O-N 2.91Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 2.86Å; L255-H258 PolarHBondContact O-N 3.4Å; L255-Q259 WeakPolarHBondContact O-CB 3.37Å; L255-Q259 WeakPolarHBondContact O-CG 3.47Å; L255-Q259 PolarHBondContact O-N 2.71Å |
| 256 | H | 82.3 | Confident | 83.7 | Confident | 117 Ų | 117 | 110.7 Ų | 110.7 | 54% | 0.542 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.7 | -44 | 174.5 | -79.1 | -55.7 | 0 | 0 | 0 | 111.4 | R252 A253 L254 H258 Q259 T260 | R252-H256 PolarHBondContact O-CD2 3.34Å; R252-H256 PolarHBondContact O-N 3.27Å; A253-H256 PolarHBondContact O-N 3.01Å; L254-H256 PolarHBondContact O-N 2.86Å; H256-H258 PolarHBondContact O-N 3.29Å; H256-Q259 PolarHBondContact O-N 3.14Å; H256-T260 WeakPolarHBondContact O-CB 3.34Å; H256-T260 PolarHBondContact O-N 3.38Å; H256-T260 PolarHBondContact O-OG1 2.71Å |
| 257 | Q | 82.5 | Confident | 83.5 | Confident | 131 Ų | 131 | 110.9 Ų | 110.9 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59 | -44.5 | 175.5 | -172.2 | -177 | 6.6 | 0 | 0 | 112.3 | A253 L254 L255 T260 A261 | A253-Q257 PolarHBondContact O-N 2.93Å; L254-Q257 WeakPolarHBondContact O-CB 3.39Å; L254-Q257 PolarHBondContact O-N 3.25Å; L255-Q257 VanDerWaalsContact C-N 3.33Å; L255-Q257 PolarHBondContact O-N 2.86Å; Q257-T260 PolarHBondContact O-N 2.9Å; Q257-A261 PolarHBondContact O-N 2.89Å |
| 258 | H | 81.1 | Confident | 83 | Confident | 103 Ų | 103 | 108.5 Ų | 108.5 | 48% | 0.477 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -66 | -41.9 | 176.7 | -72.9 | -60 | 0 | 0 | 0 | 112.8 | L254 L255 H256 T260 A261 L262 | L254-H258 PolarHBondContact O-CD2 2.97Å; L254-H258 PolarHBondContact O-N 3.27Å; L255-H258 PolarHBondContact O-N 3.4Å; H256-H258 PolarHBondContact O-N 3.29Å; H258-T260 VanDerWaalsContact C-N 3.33Å; H258-T260 PolarHBondContact O-N 2.91Å; H258-A261 WeakPolarHBondContact O-CB 3.45Å; H258-A261 PolarHBondContact O-N 2.93Å; H258-L262 WeakPolarHBondContact O-CG 3.25Å; H258-L262 PolarHBondContact O-N 3.48Å |
| 259 | Q | 82.5 | Confident | 82.5 | Confident | 90 Ų | 90 | 106.7 Ų | 106.7 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -60.9 | -43.6 | 174.9 | -74.5 | 176.5 | -2.6 | 0 | 0 | 111.2 | L255 H256 A261 L262 R263 | L255-Q259 WeakPolarHBondContact O-CB 3.37Å; L255-Q259 WeakPolarHBondContact O-CG 3.47Å; L255-Q259 PolarHBondContact O-N 2.71Å; H256-Q259 PolarHBondContact O-N 3.14Å; Q259-A261 VanDerWaalsContact C-N 3.32Å; Q259-A261 PolarHBondContact O-N 3.48Å; Q259-L262 PolarHBondContact O-N 3.31Å; Q259-R263 WeakPolarHBondContact O-CB 3.33Å; Q259-R263 WeakPolarHBondContact O-CG 3.33Å; Q259-R263 PolarHBondContact O-N 2.92Å |
| 260 | T | 79.6 | Confident | 82.3 | Confident | 68 Ų | 68 | 107.2 Ų | 107.2 | 42% | 0.417 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 174.9 | -57.3 | 0 | 0 | 0 | 0 | 111.4 | H256 Q257 H258 K264 | H256-T260 WeakPolarHBondContact O-CB 3.34Å; H256-T260 PolarHBondContact O-N 3.38Å; H256-T260 PolarHBondContact O-OG1 2.71Å; Q257-T260 PolarHBondContact O-N 2.9Å; H258-T260 VanDerWaalsContact C-N 3.33Å; H258-T260 PolarHBondContact O-N 2.91Å; T260-K264 WeakPolarHBondContact O-CG 3.36Å; T260-K264 PolarHBondContact O-N 3.32Å; T260-K264 VanDerWaalsContact O-N 3.09Å |
| 261 | A | 82.5 | Confident | 82.1 | Confident | 57 Ų | 57 | 102.2 Ų | 102.2 | 47% | 0.471 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65.2 | -43.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q257 H258 Q259 K264 R265 | Q257-A261 PolarHBondContact O-N 2.89Å; H258-A261 WeakPolarHBondContact O-CB 3.45Å; H258-A261 PolarHBondContact O-N 2.93Å; Q259-A261 VanDerWaalsContact C-N 3.32Å; Q259-A261 PolarHBondContact O-N 3.48Å; A261-K264 PolarHBondContact O-N 2.9Å; A261-R265 PolarHBondContact O-N 3.47Å; A261-R265 VanDerWaalsContact O-N 3.07Å |
| 262 | L | 79.6 | Confident | 81.8 | Confident | 113 Ų | 113 | 105.1 Ų | 105.1 | 59% | 0.592 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 176.7 | -73.2 | 173.3 | 0 | 0 | 0 | 112.1 | H258 Q259 K264 R265 S266 | H258-L262 WeakPolarHBondContact O-CG 3.25Å; H258-L262 PolarHBondContact O-N 3.48Å; Q259-L262 PolarHBondContact O-N 3.31Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.92Å; L262-R265 PolarHBondContact O-N 2.92Å; L262-R265 VanDerWaalsContact O-N 3.14Å; L262-S266 PolarHBondContact O-N 2.94Å; L262-S266 PolarHBondContact O-OG 3.4Å |
| 263 | R | 81.2 | Confident | 81.5 | Confident | 170 Ų | 170 | 102.7 Ų | 102.7 | 64% | 0.642 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -59.8 | -41 | 174.4 | -74.7 | 178.7 | -173.7 | 171.2 | 2.4 | 112 | Q259 R265 S266 L267 | Q259-R263 WeakPolarHBondContact O-CB 3.33Å; Q259-R263 WeakPolarHBondContact O-CG 3.33Å; Q259-R263 PolarHBondContact O-N 2.92Å; R263-R265 VanDerWaalsContact C-N 3.34Å; R263-S266 WeakPolarHBondContact CA-OG 3.46Å; R263-S266 PolarHBondContact O-N 3.3Å; R263-S266 PolarHBondContact O-OG 3.4Å; R263-L267 VanDerWaalsContact O-CB 3.31Å; R263-L267 WeakPolarHBondContact O-CB 3.41Å; R263-L267 PolarHBondContact O-N 2.96Å |
| 264 | K | 80.3 | Confident | 81.6 | Confident | 149 Ų | 149 | 106 Ų | 106 | 65% | 0.648 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -61.9 | -42.2 | 174.1 | -74.4 | 178.3 | 178 | -174 | 0 | 111.7 | T260 A261 L262 F268 | T260-K264 WeakPolarHBondContact O-CG 3.36Å; T260-K264 PolarHBondContact O-N 3.32Å; T260-K264 VanDerWaalsContact O-N 3.09Å; A261-K264 PolarHBondContact O-N 2.9Å; L262-K264 VanDerWaalsContact C-N 3.31Å; L262-K264 PolarHBondContact O-N 2.92Å; K264-F268 PolarHBondContact O-N 3.45Å |
| 265 | R | 79.9 | Confident | 81.3 | Confident | 172 Ų | 172 | 106.8 Ų | 106.8 | 65% | 0.649 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.8 | -41.7 | 176.6 | -174.2 | 178.2 | 178.6 | -175.3 | -0.1 | 112.7 | A261 L262 R263 F268 I269 | A261-R265 PolarHBondContact O-N 3.47Å; A261-R265 VanDerWaalsContact O-N 3.07Å; L262-R265 PolarHBondContact O-N 2.92Å; L262-R265 VanDerWaalsContact O-N 3.14Å; R263-R265 VanDerWaalsContact C-N 3.34Å; R265-F268 WeakPolarHBondContact O-CB 3.37Å; R265-F268 PolarHBondContact O-N 3.5Å; R265-I269 HydrophobicContact CG-CD1 4.29Å; R265-I269 WeakPolarHBondContact O-CG1 3.39Å; R265-I269 PolarHBondContact O-N 2.89Å; R265-I269 VanDerWaalsContact O-N 3.08Å |
| 266 | S | 77.9 | Confident | 81 | Confident | 56 Ų | 56 | 106.3 Ų | 106.3 | 39% | 0.392 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.5 | -39.2 | 177.7 | 61.6 | 0 | 0 | 0 | 0 | 111.8 | L262 R263 F268 I269 Q270 | L262-S266 PolarHBondContact O-N 2.94Å; L262-S266 PolarHBondContact O-OG 3.4Å; R263-S266 WeakPolarHBondContact CA-OG 3.46Å; R263-S266 PolarHBondContact O-N 3.3Å; R263-S266 PolarHBondContact O-OG 3.4Å; S266-F268 VanDerWaalsContact C-N 3.29Å; S266-F268 PolarHBondContact O-N 3.01Å; S266-I269 PolarHBondContact O-N 2.86Å; S266-Q270 WeakPolarHBondContact O-CB 3.36Å; S266-Q270 WeakPolarHBondContact O-CG 3.43Å; S266-Q270 PolarHBondContact O-N 2.91Å |
| 267 | L | 84.2 | Confident | 80.9 | Confident | 100 Ų | 100 | 105.7 Ų | 105.7 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 175.6 | -169.7 | 141.6 | 0 | 0 | 0 | 111.3 | R263 Q270 N271 | R263-L267 VanDerWaalsContact O-CB 3.31Å; R263-L267 WeakPolarHBondContact O-CB 3.41Å; R263-L267 PolarHBondContact O-N 2.96Å; L267-Q270 PolarHBondContact O-N 3.32Å; L267-N271 VanDerWaalsContact O-CG 3.27Å; L267-N271 PolarHBondContact O-N 3.46Å; L267-N271 VanDerWaalsContact O-N 3.1Å; L267-N271 PolarHBondContact O-ND2 3.32Å |
| 268 | F | 81 | Confident | 80.9 | Confident | 125 Ų | 125 | 103.5 Ų | 103.5 | 55% | 0.548 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.2 | -49.2 | 172.4 | -174.7 | -96.9 | 0 | 0 | 0 | 112.2 | K264 R265 S266 Q270 N271 E272 | K264-F268 PolarHBondContact O-N 3.45Å; R265-F268 WeakPolarHBondContact O-CB 3.37Å; R265-F268 PolarHBondContact O-N 3.5Å; S266-F268 VanDerWaalsContact C-N 3.29Å; S266-F268 PolarHBondContact O-N 3.01Å; F268-Q270 PolarHBondContact O-N 3.48Å; F268-N271 PolarHBondContact O-N 2.82Å; F268-E272 HydrophobicContact CD1-CG 4.44Å; F268-E272 VanDerWaalsContact CE1-CD 3.48Å; F268-E272 HydrophobicContact CE1-CG 4.15Å; F268-E272 WeakPolarHBondContact CE1-OE1 3.42Å; F268-E272 PolarHBondContact O-N 3.44Å |
| 269 | I | 78.7 | Confident | 80.6 | Confident | 73 Ų | 73 | 105.9 Ų | 105.9 | 37% | 0.374 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.2 | -39.9 | 178.2 | -65 | 166.7 | 0 | 0 | 0 | 111.8 | R265 S266 N271 E272 L273 | R265-I269 HydrophobicContact CG-CD1 4.29Å; R265-I269 WeakPolarHBondContact O-CG1 3.39Å; R265-I269 PolarHBondContact O-N 2.89Å; R265-I269 VanDerWaalsContact O-N 3.08Å; S266-I269 PolarHBondContact O-N 2.86Å; I269-N271 VanDerWaalsContact C-N 3.25Å; I269-N271 PolarHBondContact O-N 2.84Å; I269-E272 PolarHBondContact O-N 3.16Å; I269-L273 HydrophobicContact CG2-CD1 4.17Å; I269-L273 HydrophobicContact CG2-CG 4.42Å; I269-L273 WeakPolarHBondContact O-CG 3.46Å; I269-L273 PolarHBondContact O-N 3.2Å |
| 270 | Q | 82.3 | Confident | 80.1 | Confident | 113 Ų | 113 | 105.7 Ų | 105.7 | 53% | 0.528 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.7 | -36.3 | 176.2 | -77.6 | 179.2 | -2.7 | 0 | 0 | 111.9 | S266 L267 F268 K274 | S266-Q270 WeakPolarHBondContact O-CB 3.36Å; S266-Q270 WeakPolarHBondContact O-CG 3.43Å; S266-Q270 PolarHBondContact O-N 2.91Å; L267-Q270 PolarHBondContact O-N 3.32Å; F268-Q270 PolarHBondContact O-N 3.48Å; Q270-K274 WeakPolarHBondContact O-CB 3.3Å; Q270-K274 VanDerWaalsContact O-CG 3.28Å; Q270-K274 WeakPolarHBondContact O-CG 3.26Å; Q270-K274 PolarHBondContact O-N 3.47Å |
| 271 | N | 81.2 | Confident | 80.1 | Confident | 71 Ų | 71 | 106.3 Ų | 106.3 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69 | -43.3 | 174.9 | -69.5 | -15.7 | 0 | 0 | 0 | 111.3 | L267 F268 I269 L273 K274 D275 | L267-N271 VanDerWaalsContact O-CG 3.27Å; L267-N271 PolarHBondContact O-N 3.46Å; L267-N271 VanDerWaalsContact O-N 3.1Å; L267-N271 PolarHBondContact O-ND2 3.32Å; F268-N271 PolarHBondContact O-N 2.82Å; I269-N271 VanDerWaalsContact C-N 3.25Å; I269-N271 PolarHBondContact O-N 2.84Å; N271-L273 VanDerWaalsContact C-N 3.34Å; N271-L273 PolarHBondContact O-N 3.36Å; N271-K274 WeakPolarHBondContact O-CB 3.27Å; N271-K274 PolarHBondContact O-N 3.24Å; N271-K274 VanDerWaalsContact O-N 3.16Å; N271-D275 PolarHBondContact O-N 3.26Å |
| 272 | E | 80.2 | Confident | 79.8 | Confident | 94 Ų | 94 | 108.4 Ų | 108.4 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -56.2 | -46 | 173.2 | -68.8 | -179.2 | 145.3 | 0 | 0 | 111.9 | F268 I269 K274 D275 D276 | F268-E272 HydrophobicContact CD1-CG 4.44Å; F268-E272 VanDerWaalsContact CE1-CD 3.48Å; F268-E272 HydrophobicContact CE1-CG 4.15Å; F268-E272 WeakPolarHBondContact CE1-OE1 3.42Å; F268-E272 PolarHBondContact O-N 3.44Å; I269-E272 PolarHBondContact O-N 3.16Å; E272-K274 PolarHBondContact O-N 2.89Å; E272-D275 WeakPolarHBondContact O-CB 3.35Å; E272-D275 PolarHBondContact O-N 2.9Å; E272-D276 PolarHBondContact O-N 2.91Å |
| 273 | L | 81.9 | Confident | 79.3 | Confident | 99 Ų | 99 | 106.1 Ų | 106.1 | 52% | 0.518 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.8 | -33.5 | 177.9 | -69.9 | 174 | 0 | 0 | 0 | 113.4 | I269 N271 D275 D276 L277 | I269-L273 HydrophobicContact CG2-CD1 4.17Å; I269-L273 HydrophobicContact CG2-CG 4.42Å; I269-L273 WeakPolarHBondContact O-CG 3.46Å; I269-L273 PolarHBondContact O-N 3.2Å; N271-L273 VanDerWaalsContact C-N 3.34Å; N271-L273 PolarHBondContact O-N 3.36Å; L273-D275 VanDerWaalsContact C-N 3.33Å; L273-D276 PolarHBondContact O-N 2.94Å; L273-L277 WeakPolarHBondContact O-CB 3.27Å; L273-L277 WeakPolarHBondContact O-CG 3.45Å; L273-L277 PolarHBondContact O-N 2.92Å |
| 274 | K | 83.9 | Confident | 78.7 | Confident | 128 Ų | 128 | 100.9 Ų | 100.9 | 56% | 0.557 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.5 | -39 | 173.5 | -78.9 | 174.4 | -179 | 179.4 | 0 | 111 | Q270 N271 E272 L277 N278 | Q270-K274 WeakPolarHBondContact O-CB 3.3Å; Q270-K274 VanDerWaalsContact O-CG 3.28Å; Q270-K274 WeakPolarHBondContact O-CG 3.26Å; Q270-K274 PolarHBondContact O-N 3.47Å; N271-K274 WeakPolarHBondContact O-CB 3.27Å; N271-K274 PolarHBondContact O-N 3.24Å; N271-K274 VanDerWaalsContact O-N 3.16Å; E272-K274 PolarHBondContact O-N 2.89Å; K274-L277 PolarHBondContact O-N 3.41Å; K274-N278 WeakPolarHBondContact O-CB 3.44Å; K274-N278 PolarHBondContact O-N 3.3Å |
| 275 | D | 80.6 | Confident | 77.9 | Confident | 109 Ų | 109 | 100.5 Ų | 100.5 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -65.5 | -42.4 | 175.5 | -67 | -25.4 | 0 | 0 | 0 | 110.9 | N271 E272 L273 N278 W279 | N271-D275 PolarHBondContact O-N 3.26Å; E272-D275 WeakPolarHBondContact O-CB 3.35Å; E272-D275 PolarHBondContact O-N 2.9Å; L273-D275 VanDerWaalsContact C-N 3.33Å; D275-N278 WeakPolarHBondContact O-CB 3.41Å; D275-N278 PolarHBondContact O-N 3.47Å; D275-W279 PolarHBondContact O-N 3.35Å |
| 276 | D | 77.9 | Confident | 76.9 | Confident | 95 Ų | 95 | 98.5 Ų | 98.5 | 51% | 0.508 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -62.5 | -44.5 | 173.6 | -71 | -21.2 | 0 | 0 | 0 | 112.4 | E272 L273 N278 W279 L280 | E272-D276 PolarHBondContact O-N 2.91Å; L273-D276 PolarHBondContact O-N 2.94Å; D276-N278 VanDerWaalsContact C-N 3.33Å; D276-N278 PolarHBondContact O-N 3.1Å; D276-W279 WeakPolarHBondContact O-CB 3.41Å; D276-W279 PolarHBondContact O-N 3.29Å; D276-L280 PolarHBondContact O-N 2.83Å |
| 277 | L | 81 | Confident | 75.7 | Confident | 103 Ų | 103 | 102.4 Ų | 102.4 | 54% | 0.539 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62 | -40.5 | 174.7 | -80.4 | 172.1 | 0 | 0 | 0 | 111.7 | L273 K274 W279 L280 N281 | L273-L277 WeakPolarHBondContact O-CB 3.27Å; L273-L277 WeakPolarHBondContact O-CG 3.45Å; L273-L277 PolarHBondContact O-N 2.92Å; K274-L277 PolarHBondContact O-N 3.41Å; L277-W279 VanDerWaalsContact C-N 3.31Å; L277-W279 PolarHBondContact O-N 3.37Å; L277-L280 PolarHBondContact O-N 2.88Å; L277-N281 WeakPolarHBondContact O-CB 3.26Å; L277-N281 VanDerWaalsContact O-CG 3.24Å; L277-N281 PolarHBondContact O-N 3.42Å; L277-N281 PolarHBondContact O-ND2 3.35Å |
| 278 | N | 81 | Confident | 74.2 | Confident | 85 Ų | 85 | 102.6 Ų | 102.6 | 46% | 0.455 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.5 | -38.8 | 175.5 | -172.1 | 35.1 | 0 | 0 | 0 | 111.2 | K274 D275 D276 N281 Q282 | K274-N278 WeakPolarHBondContact O-CB 3.44Å; K274-N278 PolarHBondContact O-N 3.3Å; D275-N278 WeakPolarHBondContact O-CB 3.41Å; D275-N278 PolarHBondContact O-N 3.47Å; D276-N278 VanDerWaalsContact C-N 3.33Å; D276-N278 PolarHBondContact O-N 3.1Å; N278-N281 PolarHBondContact O-N 3.31Å; N278-Q282 WeakPolarHBondContact O-CG 3.41Å; N278-Q282 PolarHBondContact O-N 2.86Å |
| 279 | W | 75.3 | Confident | 72.6 | Confident | 154 Ų | 154 | 103.5 Ų | 103.5 | 58% | 0.583 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 174 | 179.8 | 75.6 | 0 | 0 | 0 | 112.4 | D275 D276 L277 N281 Q282 L283 | D275-W279 PolarHBondContact O-N 3.35Å; D276-W279 WeakPolarHBondContact O-CB 3.41Å; D276-W279 PolarHBondContact O-N 3.29Å; L277-W279 VanDerWaalsContact C-N 3.31Å; L277-W279 PolarHBondContact O-N 3.37Å; W279-N281 VanDerWaalsContact C-N 3.33Å; W279-N281 PolarHBondContact O-N 3.03Å; W279-Q282 WeakPolarHBondContact O-CB 3.29Å; W279-Q282 PolarHBondContact O-N 3.15Å; W279-Q282 VanDerWaalsContact O-N 3.17Å; W279-L283 HydrophobicContact CD2-CD1 4.32Å; W279-L283 HydrophobicContact CE3-CD1 4.19Å; W279-L283 HydrophobicContact CH2-CD1 3.78Å; W279-L283 HydrophobicContact CZ2-CD1 3.91Å; W279-L283 HydrophobicContact CZ3-CD1 3.92Å; W279-L283 PolarHBondContact O-N 3.43Å |
| 280 | L | 72 | Confident | 70.8 | Confident | 86 Ų | 86 | 106 Ų | 106 | 45% | 0.45 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -62.3 | -39.2 | 174.3 | -69.5 | 174.6 | 0 | 0 | 0 | 112.5 | D276 L277 Q282 L283 T284 | D276-L280 PolarHBondContact O-N 2.83Å; L277-L280 PolarHBondContact O-N 2.88Å; L280-Q282 VanDerWaalsContact C-N 3.26Å; L280-Q282 PolarHBondContact O-N 3.35Å; L280-L283 HydrophobicContact CD2-CD1 4.31Å; L280-L283 WeakPolarHBondContact O-CB 3.3Å; L280-L283 PolarHBondContact O-N 3.09Å; L280-L283 VanDerWaalsContact O-N 3.08Å; L280-T284 PolarHBondContact O-N 2.72Å; L280-T284 PolarHBondContact O-OG1 2.92Å |
| 281 | N | 80.1 | Confident | 68.4 | Low | 81 Ų | 81 | 111.2 Ų | 111.2 | 43% | 0.433 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -65.2 | -30 | 176 | -76.1 | -26 | 0 | 0 | 0 | 112.8 | L277 N278 W279 L283 T284 K285 | L277-N281 WeakPolarHBondContact O-CB 3.26Å; L277-N281 VanDerWaalsContact O-CG 3.24Å; L277-N281 PolarHBondContact O-N 3.42Å; L277-N281 PolarHBondContact O-ND2 3.35Å; N278-N281 PolarHBondContact O-N 3.31Å; W279-N281 VanDerWaalsContact C-N 3.33Å; W279-N281 PolarHBondContact O-N 3.03Å; N281-L283 VanDerWaalsContact C-N 3.34Å; N281-T284 WeakPolarHBondContact CA-OG1 3.41Å; N281-T284 PolarHBondContact O-OG1 3.21Å; N281-K285 WeakPolarHBondContact O-CB 3.47Å; N281-K285 VanDerWaalsContact O-CG 3.23Å; N281-K285 WeakPolarHBondContact O-CG 3.32Å; N281-K285 PolarHBondContact O-N 3.33Å |
| 282 | Q | 76.2 | Confident | 66.1 | Low | 100 Ų | 100 | 111.5 Ų | 111.5 | 47% | 0.467 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -68.1 | -36.5 | 171.6 | -70.4 | 170.7 | 18.4 | 0 | 0 | 111.3 | N278 W279 L280 Q286 | N278-Q282 WeakPolarHBondContact O-CG 3.41Å; N278-Q282 PolarHBondContact O-N 2.86Å; W279-Q282 WeakPolarHBondContact O-CB 3.29Å; W279-Q282 PolarHBondContact O-N 3.15Å; W279-Q282 VanDerWaalsContact O-N 3.17Å; L280-Q282 VanDerWaalsContact C-N 3.26Å; L280-Q282 PolarHBondContact O-N 3.35Å; Q282-Q286 WeakPolarHBondContact O-CG 3.38Å; Q282-Q286 PolarHBondContact O-N 2.92Å |
| 283 | L | 67.6 | Low | 63.9 | Low | 65 Ų | 65 | 111.1 Ų | 111.1 | 34% | 0.34 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -68 | -45.5 | 174.7 | -65.3 | 171.8 | 0 | 0 | 0 | 112.3 | W279 L280 N281 K285 Q286 E287 | W279-L283 HydrophobicContact CD2-CD1 4.32Å; W279-L283 HydrophobicContact CE3-CD1 4.19Å; W279-L283 HydrophobicContact CH2-CD1 3.78Å; W279-L283 HydrophobicContact CZ2-CD1 3.91Å; W279-L283 HydrophobicContact CZ3-CD1 3.92Å; W279-L283 PolarHBondContact O-N 3.43Å; L280-L283 HydrophobicContact CD2-CD1 4.31Å; L280-L283 WeakPolarHBondContact O-CB 3.3Å; L280-L283 PolarHBondContact O-N 3.09Å; L280-L283 VanDerWaalsContact O-N 3.08Å; N281-L283 VanDerWaalsContact C-N 3.34Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 3.42Å; L283-Q286 WeakPolarHBondContact O-CA 3.41Å; L283-Q286 VanDerWaalsContact O-CB 3.31Å; L283-Q286 WeakPolarHBondContact O-CB 3.23Å; L283-Q286 PolarHBondContact O-N 3.17Å; L283-E287 PolarHBondContact O-N 3.43Å |
| 284 | T | 69.9 | Low | 61.7 | Low | 60 Ų | 60 | 113.2 Ų | 113.2 | 37% | 0.368 | 59% | 0.589 | S | S | . | * | H | α-helix | trans | -68.3 | -32.2 | 178.5 | 53.7 | 0 | 0 | 0 | 0 | 112.7 | L280 N281 Q286 E287 T288 | L280-T284 PolarHBondContact O-N 2.72Å; L280-T284 PolarHBondContact O-OG1 2.92Å; N281-T284 WeakPolarHBondContact CA-OG1 3.41Å; N281-T284 PolarHBondContact O-OG1 3.21Å; T284-Q286 PolarHBondContact O-N 3.25Å; T284-E287 PolarHBondContact O-N 2.98Å; T284-T288 WeakPolarHBondContact O-CB 3.3Å; T284-T288 WeakPolarHBondContact O-CG2 3.18Å; T284-T288 PolarHBondContact O-N 3.42Å; T284-T288 PolarHBondContact O-OG1 3.23Å |
| 285 | K | 63.9 | Low | 59.7 | Low | 141 Ų | 141 | 113 Ų | 113 | 61% | 0.613 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -63.4 | -28.1 | 169.3 | -77.1 | 174.1 | -176.5 | 175.2 | 0 | 112.4 | N281 L283 T288 L289 | N281-K285 WeakPolarHBondContact O-CB 3.47Å; N281-K285 VanDerWaalsContact O-CG 3.23Å; N281-K285 WeakPolarHBondContact O-CG 3.32Å; N281-K285 PolarHBondContact O-N 3.33Å; L283-K285 VanDerWaalsContact C-N 3.33Å; L283-K285 PolarHBondContact O-N 3.42Å; K285-T288 WeakPolarHBondContact CA-OG1 3.22Å; K285-L289 WeakPolarHBondContact O-CG 3.34Å |
| 286 | Q | 58.3 | Low | 58.1 | Low | 131 Ų | 131 | 115 Ų | 115 | 61% | 0.612 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -74.9 | -38.8 | 171.4 | -68.6 | 170.9 | -3.7 | 0 | 0 | 111.5 | Q282 L283 T284 | Q282-Q286 WeakPolarHBondContact O-CG 3.38Å; Q282-Q286 PolarHBondContact O-N 2.92Å; L283-Q286 WeakPolarHBondContact O-CA 3.41Å; L283-Q286 VanDerWaalsContact O-CB 3.31Å; L283-Q286 WeakPolarHBondContact O-CB 3.23Å; L283-Q286 PolarHBondContact O-N 3.17Å; T284-Q286 PolarHBondContact O-N 3.25Å |
| 287 | E | 53 | Low | 56.6 | Low | 138 Ų | 138 | 121.3 Ų | 121.3 | 65% | 0.645 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.9 | -36.9 | 178.1 | -68.7 | 179.3 | 163 | 0 | 0 | 113.8 | L283 T284 L289 D290 | L283-E287 PolarHBondContact O-N 3.43Å; T284-E287 PolarHBondContact O-N 2.98Å; E287-L289 VanDerWaalsContact C-N 3.26Å; E287-L289 PolarHBondContact O-N 3.49Å; E287-D290 PolarHBondContact O-N 2.94Å; E287-D290 VanDerWaalsContact O-N 3.15Å |
| 288 | T | 52.3 | Low | 55.2 | Low | 103 Ų | 103 | 123 Ų | 123 | 63% | 0.632 | 62% | 0.618 | S | S | * | * | G | 310 helix | trans | -74.1 | -12.9 | -178 | 46.7 | 0 | 0 | 0 | 0 | 114.2 | T284 K285 D290 | T284-T288 WeakPolarHBondContact O-CB 3.3Å; T284-T288 WeakPolarHBondContact O-CG2 3.18Å; T284-T288 PolarHBondContact O-N 3.42Å; T284-T288 PolarHBondContact O-OG1 3.23Å; K285-T288 WeakPolarHBondContact CA-OG1 3.22Å; T288-D290 PolarHBondContact O-N 2.9Å |
| 289 | L | 46.4 | Very low | 54.1 | Low | 145 Ų | 145 | 122.2 Ų | 122.2 | 76% | 0.759 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -66.9 | -12.8 | 168.1 | -73.8 | 168.8 | 0 | 0 | 0 | 112.5 | K285 E287 | K285-L289 WeakPolarHBondContact O-CG 3.34Å; E287-L289 VanDerWaalsContact C-N 3.26Å; E287-L289 PolarHBondContact O-N 3.49Å |
| 290 | D | 41.9 | Very low | 53.3 | Low | 126 Ų | 126 | 121.9 Ų | 121.9 | 67% | 0.674 | 61% | 0.614 | S | S | * | * | G | 310 helix | trans | -99.7 | 2.7 | -172.9 | -71.4 | -21.4 | 0 | 0 | 0 | 115.9 | E287 T288 | E287-D290 PolarHBondContact O-N 2.94Å; E287-D290 VanDerWaalsContact O-N 3.15Å; T288-D290 PolarHBondContact O-N 2.9Å |
| 291 | Y | 31.8 | Very low | 52.7 | Low | 221 Ų | 221 | 124.5 Ų | 124.5 | 87% | 0.867 | 62% | 0.624 | S | S | * | * | trans | -137.4 | 79.5 | 176.3 | -75.3 | -78.6 | 0 | 0 | 0 | 113.3 | ||||
| 292 | G | 32.9 | Very low | 52.1 | Low | 78 Ų | 78 | 126.3 Ų | 126.3 | 80% | 0.804 | 63% | 0.628 | S | S | * | * | trans | -135.5 | 96.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 293 | A | 35 | Very low | 51.9 | Low | 86 Ų | 86 | 126.2 Ų | 126.2 | 71% | 0.711 | 63% | 0.627 | S | S | * | * | trans | -170.4 | 106 | 152.2 | 0 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 294 | D | 33.7 | Very low | 52.1 | Low | 143 Ų | 143 | 128 Ų | 128 | 77% | 0.765 | 64% | 0.638 | S | S | * | * | trans | 153.1 | 146.1 | 130.3 | -79.6 | -21.1 | 0 | 0 | 0 | 115.8 | ||||
| 295 | I | 42 | Very low | 52 | Low | 122 Ų | 122 | 130.8 Ų | 130.8 | 63% | 0.626 | 65% | 0.649 | S | S | * | * | trans | 96.1 | 73.7 | 164.4 | -43.4 | 179.8 | 0 | 0 | 0 | 116.8 | R297 Q299 | I295-R297 PolarHBondContact O-N 3.1Å; I295-Q299 WeakPolarHBondContact O-CG 3.36Å; I295-Q299 PolarHBondContact O-N 3.5Å | ||
| 296 | E | 48 | Very low | 52.8 | Low | 151 Ų | 151 | 127.9 Ų | 127.9 | 71% | 0.706 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -62.1 | -19.7 | -177.2 | -72.7 | 177.4 | 157 | 0 | 0 | 119.1 | Q299 K300 | E296-Q299 VanDerWaalsContact CG-OE1 3.27Å; E296-Q299 WeakPolarHBondContact O-CB 3.45Å; E296-K300 PolarHBondContact O-N 3.41Å |
| 297 | R | 46.6 | Very low | 53.8 | Low | 229 Ų | 229 | 124.4 Ų | 124.4 | 86% | 0.864 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -91.8 | -33.6 | -180 | -75.4 | -172 | -165.6 | 167.2 | 5.4 | 113.8 | I295 | I295-R297 PolarHBondContact O-N 3.1Å |
| 298 | K | 52 | Low | 54.7 | Low | 137 Ų | 137 | 122.2 Ų | 122.2 | 60% | 0.596 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -67.5 | -27 | 160.6 | -71.5 | -164.6 | 177.1 | -174.9 | 0 | 110.1 | K302 | K298-K302 HydrophobicContact CB-CD 4.16Å; K298-K302 WeakPolarHBondContact O-CA 3.42Å; K298-K302 WeakPolarHBondContact O-CB 3.35Å; K298-K302 WeakPolarHBondContact O-CD 3.44Å; K298-K302 WeakPolarHBondContact O-CG 3.4Å; K298-K302 PolarHBondContact O-N 3.27Å |
| 299 | Q | 58.1 | Low | 56 | Low | 70 Ų | 70 | 122 Ų | 122 | 33% | 0.327 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -60.4 | -43.5 | 175.3 | -76.2 | 167.6 | 2.3 | 0 | 0 | 112.8 | I295 E296 E301 K302 E303 | I295-Q299 WeakPolarHBondContact O-CG 3.36Å; I295-Q299 PolarHBondContact O-N 3.5Å; E296-Q299 VanDerWaalsContact CG-OE1 3.27Å; E296-Q299 WeakPolarHBondContact O-CB 3.45Å; Q299-E301 PolarHBondContact O-N 3.01Å; Q299-K302 CarbonylContact O-C 3.42Å; Q299-K302 PolarHBondContact O-N 3.46Å; Q299-E303 HydrophobicContact CB-CG 4.5Å; Q299-E303 VanDerWaalsContact O-CA 3.31Å; Q299-E303 WeakPolarHBondContact O-CA 3.24Å; Q299-E303 WeakPolarHBondContact O-CB 3.36Å; Q299-E303 WeakPolarHBondContact O-CG 3.29Å; Q299-E303 PolarHBondContact O-N 3.17Å |
| 300 | K | 57.1 | Low | 57.6 | Low | 146 Ų | 146 | 121.6 Ų | 121.6 | 64% | 0.635 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -66.3 | -41.3 | -179.4 | -68.2 | -172.3 | -179.5 | -176.2 | 0 | 114.5 | E296 E303 N304 | E296-K300 PolarHBondContact O-N 3.41Å; K300-E303 PolarHBondContact O-N 3.48Å; K300-N304 WeakPolarHBondContact O-CB 3.45Å; K300-N304 PolarHBondContact O-N 3.28Å; K300-N304 PolarHBondContact O-ND2 3.19Å |
| 301 | E | 61.1 | Low | 59.3 | Low | 142 Ų | 142 | 120 Ų | 120 | 66% | 0.664 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -69.9 | -40.8 | 173.1 | -77.8 | 178.3 | 173.2 | 0 | 0 | 111.3 | Q299 E303 N304 L305 | Q299-E301 PolarHBondContact O-N 3.01Å; E301-E303 VanDerWaalsContact C-N 3.29Å; E301-E303 PolarHBondContact O-N 3.2Å; E301-N304 PolarHBondContact O-N 2.71Å; E301-L305 VanDerWaalsContact O-CB 3.23Å; E301-L305 WeakPolarHBondContact O-CB 3.46Å; E301-L305 WeakPolarHBondContact O-CG 3.37Å; E301-L305 PolarHBondContact O-N 3.39Å |
| 302 | K | 66.8 | Low | 61.1 | Low | 119 Ų | 119 | 114.2 Ų | 114.2 | 52% | 0.517 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -64.2 | -32.5 | 171.4 | -74.2 | 174.6 | 175.2 | -172.1 | 0 | 111.8 | K298 Q299 L305 L306 | K298-K302 HydrophobicContact CB-CD 4.16Å; K298-K302 WeakPolarHBondContact O-CA 3.42Å; K298-K302 WeakPolarHBondContact O-CB 3.35Å; K298-K302 WeakPolarHBondContact O-CD 3.44Å; K298-K302 WeakPolarHBondContact O-CG 3.4Å; K298-K302 PolarHBondContact O-N 3.27Å; Q299-K302 CarbonylContact O-C 3.42Å; Q299-K302 PolarHBondContact O-N 3.46Å; K302-L305 CarbonylContact O-C 3.6Å; K302-L306 HydrophobicContact CB-CD1 4.4Å; K302-L306 WeakPolarHBondContact O-CA 3.34Å; K302-L306 WeakPolarHBondContact O-CB 3.36Å; K302-L306 VanDerWaalsContact O-CD1 3.28Å; K302-L306 WeakPolarHBondContact O-CD1 3.44Å; K302-L306 WeakPolarHBondContact O-CG 3.42Å; K302-L306 PolarHBondContact O-N 3.25Å |
| 303 | E | 71.6 | Confident | 63.6 | Low | 97 Ų | 97 | 114.6 Ų | 114.6 | 45% | 0.453 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -75.9 | -42.2 | -179.5 | -82.2 | 162.8 | -172.9 | 0 | 0 | 108.8 | Q299 K300 E301 L306 A307 | Q299-E303 HydrophobicContact CB-CG 4.5Å; Q299-E303 VanDerWaalsContact O-CA 3.31Å; Q299-E303 WeakPolarHBondContact O-CA 3.24Å; Q299-E303 WeakPolarHBondContact O-CB 3.36Å; Q299-E303 WeakPolarHBondContact O-CG 3.29Å; Q299-E303 PolarHBondContact O-N 3.17Å; K300-E303 PolarHBondContact O-N 3.48Å; E301-E303 VanDerWaalsContact C-N 3.29Å; E301-E303 PolarHBondContact O-N 3.2Å; E303-L306 PolarHBondContact O-N 3.4Å; E303-A307 WeakPolarHBondContact O-CA 3.25Å; E303-A307 WeakPolarHBondContact O-CB 3.33Å; E303-A307 PolarHBondContact O-N 3.44Å |
| 304 | N | 71.6 | Confident | 65.9 | Low | 104 Ų | 104 | 116.2 Ų | 116.2 | 56% | 0.556 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.4 | -44.9 | 171.4 | -70 | -16.7 | 0 | 0 | 0 | 110.5 | K300 E301 A307 I308 | K300-N304 WeakPolarHBondContact O-CB 3.45Å; K300-N304 PolarHBondContact O-N 3.28Å; K300-N304 PolarHBondContact O-ND2 3.19Å; E301-N304 PolarHBondContact O-N 2.71Å; N304-A307 PolarHBondContact O-N 3.01Å; N304-I308 VanDerWaalsContact O-CB 3.32Å; N304-I308 WeakPolarHBondContact O-CB 3.24Å; N304-I308 WeakPolarHBondContact O-CD1 3.31Å; N304-I308 WeakPolarHBondContact O-CG1 3.45Å; N304-I308 PolarHBondContact O-N 3.15Å |
| 305 | L | 68.5 | Low | 68.1 | Low | 117 Ų | 117 | 114.8 Ų | 114.8 | 61% | 0.613 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.1 | -39.6 | 174.7 | -74.6 | 170.7 | 0 | 0 | 0 | 112.2 | E301 K302 Q309 | E301-L305 VanDerWaalsContact O-CB 3.23Å; E301-L305 WeakPolarHBondContact O-CB 3.46Å; E301-L305 WeakPolarHBondContact O-CG 3.37Å; E301-L305 PolarHBondContact O-N 3.39Å; K302-L305 CarbonylContact O-C 3.6Å; L305-Q309 WeakPolarHBondContact O-CA 3.26Å; L305-Q309 WeakPolarHBondContact O-CB 3.28Å; L305-Q309 PolarHBondContact O-N 2.88Å |
| 306 | L | 80.8 | Confident | 70.2 | Confident | 80 Ų | 80 | 113.6 Ų | 113.6 | 42% | 0.419 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -72.5 | -33.4 | 176.7 | -76.9 | 165.8 | 0 | 0 | 0 | 111 | K302 E303 K310 | K302-L306 HydrophobicContact CB-CD1 4.4Å; K302-L306 WeakPolarHBondContact O-CA 3.34Å; K302-L306 WeakPolarHBondContact O-CB 3.36Å; K302-L306 VanDerWaalsContact O-CD1 3.28Å; K302-L306 WeakPolarHBondContact O-CD1 3.44Å; K302-L306 WeakPolarHBondContact O-CG 3.42Å; K302-L306 PolarHBondContact O-N 3.25Å; E303-L306 PolarHBondContact O-N 3.4Å; L306-K310 WeakPolarHBondContact O-CB 3.26Å; L306-K310 WeakPolarHBondContact O-CG 3.46Å; L306-K310 PolarHBondContact O-N 2.81Å |
| 307 | A | 77.8 | Confident | 72.1 | Confident | 58 Ų | 58 | 111.8 Ų | 111.8 | 48% | 0.479 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -71 | -43.8 | 175 | 0 | 0 | 0 | 0 | 0 | 110 | E303 N304 L311 | E303-A307 WeakPolarHBondContact O-CA 3.25Å; E303-A307 WeakPolarHBondContact O-CB 3.33Å; E303-A307 PolarHBondContact O-N 3.44Å; N304-A307 PolarHBondContact O-N 3.01Å; A307-L311 WeakPolarHBondContact O-CB 3.32Å; A307-L311 PolarHBondContact O-N 2.65Å |
| 308 | I | 73.5 | Confident | 73.8 | Confident | 93 Ų | 93 | 105 Ų | 105 | 48% | 0.477 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.9 | -43.1 | 171.6 | -68.4 | 165.9 | 0 | 0 | 0 | 110 | N304 L311 I312 | N304-I308 VanDerWaalsContact O-CB 3.32Å; N304-I308 WeakPolarHBondContact O-CB 3.24Å; N304-I308 WeakPolarHBondContact O-CD1 3.31Å; N304-I308 WeakPolarHBondContact O-CG1 3.45Å; N304-I308 PolarHBondContact O-N 3.15Å; I308-L311 WeakPolarHBondContact O-CB 3.37Å; I308-L311 PolarHBondContact O-N 2.88Å; I308-I312 HydrophobicContact CG2-CD1 3.66Å; I308-I312 HydrophobicContact CG2-CG1 4.27Å; I308-I312 WeakPolarHBondContact O-CB 3.45Å; I308-I312 VanDerWaalsContact O-CG1 3.24Å; I308-I312 WeakPolarHBondContact O-CG1 3.47Å; I308-I312 PolarHBondContact O-N 3.45Å |
| 309 | Q | 79.2 | Confident | 75 | Confident | 97 Ų | 97 | 102.4 Ų | 102.4 | 45% | 0.453 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.8 | -48.2 | 177.5 | -177.4 | -178.2 | -11.2 | 0 | 0 | 111 | L305 L311 I312 E313 | L305-Q309 WeakPolarHBondContact O-CA 3.26Å; L305-Q309 WeakPolarHBondContact O-CB 3.28Å; L305-Q309 PolarHBondContact O-N 2.88Å; Q309-L311 VanDerWaalsContact C-N 3.29Å; Q309-L311 PolarHBondContact O-N 3.5Å; Q309-I312 CarbonylContact O-C 3.58Å; Q309-I312 PolarHBondContact O-N 2.92Å; Q309-E313 HydrophobicContact CG-CG 4.31Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.38Å; Q309-E313 PolarHBondContact NE2-OE1 3.2Å; Q309-E313 WeakPolarHBondContact O-CB 3.21Å; Q309-E313 VanDerWaalsContact O-CG 3.26Å; Q309-E313 WeakPolarHBondContact O-CG 3.32Å; Q309-E313 PolarHBondContact O-N 3.17Å |
| 310 | K | 79.1 | Confident | 76.5 | Confident | 137 Ų | 137 | 103.7 Ų | 103.7 | 60% | 0.596 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -61.6 | -37 | 174.4 | -75.9 | 172.8 | -178 | -178 | 0 | 112.1 | L306 Y314 | L306-K310 WeakPolarHBondContact O-CB 3.26Å; L306-K310 WeakPolarHBondContact O-CG 3.46Å; L306-K310 PolarHBondContact O-N 2.81Å; K310-Y314 WeakPolarHBondContact O-CB 3.36Å; K310-Y314 PolarHBondContact O-N 3.49Å |
| 311 | L | 78.7 | Confident | 77.9 | Confident | 94 Ų | 94 | 101.3 Ų | 101.3 | 49% | 0.492 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.1 | -46.4 | 175.1 | -176.7 | 69.7 | 0 | 0 | 0 | 110.6 | A307 I308 Q309 Y314 E315 | A307-L311 WeakPolarHBondContact O-CB 3.32Å; A307-L311 PolarHBondContact O-N 2.65Å; I308-L311 WeakPolarHBondContact O-CB 3.37Å; I308-L311 PolarHBondContact O-N 2.88Å; Q309-L311 VanDerWaalsContact C-N 3.29Å; Q309-L311 PolarHBondContact O-N 3.5Å; L311-Y314 PolarHBondContact O-N 2.9Å; L311-E315 WeakPolarHBondContact O-CB 3.31Å; L311-E315 WeakPolarHBondContact O-CG 3.38Å; L311-E315 PolarHBondContact O-N 2.67Å |
| 312 | I | 69.9 | Low | 78.9 | Confident | 98 Ų | 98 | 100.8 Ų | 100.8 | 50% | 0.503 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -64.8 | -42.7 | 176.1 | -69 | 169.1 | 0 | 0 | 0 | 111 | I308 Q309 E315 L316 | I308-I312 HydrophobicContact CG2-CD1 3.66Å; I308-I312 HydrophobicContact CG2-CG1 4.27Å; I308-I312 WeakPolarHBondContact O-CB 3.45Å; I308-I312 VanDerWaalsContact O-CG1 3.24Å; I308-I312 WeakPolarHBondContact O-CG1 3.47Å; I308-I312 PolarHBondContact O-N 3.45Å; Q309-I312 CarbonylContact O-C 3.58Å; Q309-I312 PolarHBondContact O-N 2.92Å; I312-E315 PolarHBondContact O-N 3.04Å; I312-L316 VanDerWaalsContact O-CB 3.25Å; I312-L316 WeakPolarHBondContact O-CB 3.3Å; I312-L316 PolarHBondContact O-N 3.37Å |
| 313 | E | 84.4 | Confident | 79.7 | Confident | 87 Ų | 87 | 100.3 Ų | 100.3 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.5 | -44.5 | 175.8 | -77.1 | 168.7 | 179.5 | 0 | 0 | 110.7 | Q309 L316 E317 | Q309-E313 HydrophobicContact CG-CG 4.31Å; Q309-E313 WeakPolarHBondContact CG-OE1 3.38Å; Q309-E313 PolarHBondContact NE2-OE1 3.2Å; Q309-E313 WeakPolarHBondContact O-CB 3.21Å; Q309-E313 VanDerWaalsContact O-CG 3.26Å; Q309-E313 WeakPolarHBondContact O-CG 3.32Å; Q309-E313 PolarHBondContact O-N 3.17Å; E313-L316 WeakPolarHBondContact O-CB 3.23Å; E313-L316 PolarHBondContact O-N 3.39Å; E313-E317 WeakPolarHBondContact O-CG 3.37Å; E313-E317 PolarHBondContact O-N 3.26Å |
| 314 | Y | 83.8 | Confident | 80.3 | Confident | 120 Ų | 120 | 100.7 Ų | 100.7 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 175.7 | 178.5 | -111 | 0 | 0 | 0 | 112.9 | K310 L311 K318 | K310-Y314 WeakPolarHBondContact O-CB 3.36Å; K310-Y314 PolarHBondContact O-N 3.49Å; L311-Y314 PolarHBondContact O-N 2.9Å; Y314-K318 HydrophobicContact CD1-CD 4.35Å; Y314-K318 HydrophobicContact CE1-CD 3.94Å; Y314-K318 VanDerWaalsContact CZ-NZ 3.27Å; Y314-K318 WeakPolarHBondContact O-CB 3.43Å; Y314-K318 WeakPolarHBondContact O-CG 3.43Å; Y314-K318 PolarHBondContact O-N 3.33Å; Y314-K318 WeakPolarHBondContact OH-CE 3.39Å; Y314-K318 PolarHBondContact OH-NZ 2.82Å |
| 315 | E | 80.3 | Confident | 80.8 | Confident | 112 Ų | 112 | 101.1 Ų | 101.1 | 52% | 0.523 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.4 | -39.1 | 171.3 | -76.9 | -180 | 173.1 | 0 | 0 | 111.4 | L311 I312 K318 E319 | L311-E315 WeakPolarHBondContact O-CB 3.31Å; L311-E315 WeakPolarHBondContact O-CG 3.38Å; L311-E315 PolarHBondContact O-N 2.67Å; I312-E315 PolarHBondContact O-N 3.04Å; E315-K318 PolarHBondContact O-N 3.47Å; E315-E319 WeakPolarHBondContact O-CB 3.48Å; E315-E319 PolarHBondContact O-N 3.03Å |
| 316 | L | 85.1 | Confident | 81.2 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 51% | 0.513 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -65.6 | -45.5 | 175.8 | -177.2 | 69.7 | 0 | 0 | 0 | 111.7 | I312 E313 K318 E319 Q320 | I312-L316 VanDerWaalsContact O-CB 3.25Å; I312-L316 WeakPolarHBondContact O-CB 3.3Å; I312-L316 PolarHBondContact O-N 3.37Å; E313-L316 WeakPolarHBondContact O-CB 3.23Å; E313-L316 PolarHBondContact O-N 3.39Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-E319 PolarHBondContact O-N 2.73Å; L316-Q320 WeakPolarHBondContact O-CB 3.49Å; L316-Q320 VanDerWaalsContact O-CG 3.3Å; L316-Q320 WeakPolarHBondContact O-CG 3.43Å; L316-Q320 PolarHBondContact O-N 3.09Å |
| 317 | E | 87.8 | Confident | 81.4 | Confident | 113 Ų | 113 | 100.3 Ų | 100.3 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.9 | -41.9 | 175.3 | -75.2 | 179.7 | 172.9 | 0 | 0 | 111.6 | E313 E319 Q320 I321 | E313-E317 WeakPolarHBondContact O-CG 3.37Å; E313-E317 PolarHBondContact O-N 3.26Å; E317-E319 VanDerWaalsContact C-N 3.32Å; E317-E319 PolarHBondContact O-N 2.92Å; E317-Q320 PolarHBondContact O-N 3.39Å; E317-I321 WeakPolarHBondContact O-CG1 3.25Å; E317-I321 PolarHBondContact O-N 3.46Å |
| 318 | K | 83.2 | Confident | 81.7 | Confident | 85 Ų | 85 | 104.3 Ų | 104.3 | 37% | 0.37 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -61 | -42.5 | 173.1 | -83.8 | -178.6 | 169.3 | 172.4 | 0 | 112 | Y314 E315 L316 I321 R322 | Y314-K318 HydrophobicContact CD1-CD 4.35Å; Y314-K318 HydrophobicContact CE1-CD 3.94Å; Y314-K318 VanDerWaalsContact CZ-NZ 3.27Å; Y314-K318 WeakPolarHBondContact O-CB 3.43Å; Y314-K318 WeakPolarHBondContact O-CG 3.43Å; Y314-K318 PolarHBondContact O-N 3.33Å; Y314-K318 WeakPolarHBondContact OH-CE 3.39Å; Y314-K318 PolarHBondContact OH-NZ 2.82Å; E315-K318 PolarHBondContact O-N 3.47Å; L316-K318 VanDerWaalsContact C-N 3.34Å; K318-I321 PolarHBondContact O-N 2.92Å; K318-R322 WeakPolarHBondContact O-CB 3.47Å; K318-R322 VanDerWaalsContact O-CG 3.27Å; K318-R322 WeakPolarHBondContact O-CG 3.35Å; K318-R322 PolarHBondContact O-N 2.91Å |
| 319 | E | 76.5 | Confident | 82 | Confident | 83 Ų | 83 | 104.7 Ų | 104.7 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.9 | -37 | 178.3 | -155 | 60.2 | -157 | 0 | 0 | 111.1 | E315 L316 E317 R322 E323 | E315-E319 WeakPolarHBondContact O-CB 3.48Å; E315-E319 PolarHBondContact O-N 3.03Å; L316-E319 PolarHBondContact O-N 2.73Å; E317-E319 VanDerWaalsContact C-N 3.32Å; E317-E319 PolarHBondContact O-N 2.92Å; E319-R322 PolarHBondContact O-N 3.39Å; E319-R322 WeakPolarHBondContact OE2-CD 3.37Å; E319-R322 IonicContact OE2-CZ 3.93Å; E319-R322 IonicContact OE2-NH1 3.85Å; E319-R322 PolarHBondContact OE2-NH1 3.3Å; E319-E323 WeakPolarHBondContact O-CB 3.36Å; E319-E323 VanDerWaalsContact O-CG 3.31Å; E319-E323 WeakPolarHBondContact O-CG 3.42Å; E319-E323 PolarHBondContact O-N 3.12Å |
| 320 | Q | 90 | Very high | 82 | Confident | 97 Ų | 97 | 106 Ų | 106 | 45% | 0.453 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -42.7 | 171.9 | -75.2 | 175.3 | -0.7 | 0 | 0 | 112.6 | L316 E317 E323 L324 | L316-Q320 WeakPolarHBondContact O-CB 3.49Å; L316-Q320 VanDerWaalsContact O-CG 3.3Å; L316-Q320 WeakPolarHBondContact O-CG 3.43Å; L316-Q320 PolarHBondContact O-N 3.09Å; E317-Q320 PolarHBondContact O-N 3.39Å; Q320-E323 PolarHBondContact O-N 3.01Å; Q320-L324 VanDerWaalsContact O-CG 3.32Å; Q320-L324 WeakPolarHBondContact O-CG 3.5Å; Q320-L324 PolarHBondContact O-N 3.31Å |
| 321 | I | 87.1 | Confident | 82.3 | Confident | 96 Ų | 96 | 104.4 Ų | 104.4 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64.5 | -44.6 | 175.7 | -67.8 | 165.9 | 0 | 0 | 0 | 110.1 | E317 K318 E323 L324 E325 | E317-I321 WeakPolarHBondContact O-CG1 3.25Å; E317-I321 PolarHBondContact O-N 3.46Å; K318-I321 PolarHBondContact O-N 2.92Å; I321-E323 VanDerWaalsContact C-N 3.34Å; I321-E323 PolarHBondContact O-N 3.08Å; I321-L324 PolarHBondContact O-N 2.85Å; I321-E325 HydrophobicContact CG2-CG 4.46Å; I321-E325 WeakPolarHBondContact O-CG 3.33Å; I321-E325 PolarHBondContact O-N 3.47Å |
| 322 | R | 81.6 | Confident | 82.6 | Confident | 132 Ų | 132 | 107.3 Ų | 107.3 | 50% | 0.498 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.5 | -42.7 | 174.5 | -72.4 | 169.1 | -179.2 | 171.7 | -1.7 | 111.7 | K318 E319 L324 E325 L326 | K318-R322 WeakPolarHBondContact O-CB 3.47Å; K318-R322 VanDerWaalsContact O-CG 3.27Å; K318-R322 WeakPolarHBondContact O-CG 3.35Å; K318-R322 PolarHBondContact O-N 2.91Å; E319-R322 PolarHBondContact O-N 3.39Å; E319-R322 WeakPolarHBondContact OE2-CD 3.37Å; E319-R322 IonicContact OE2-CZ 3.93Å; E319-R322 IonicContact OE2-NH1 3.85Å; E319-R322 PolarHBondContact OE2-NH1 3.3Å; R322-L324 VanDerWaalsContact C-N 3.34Å; R322-L324 PolarHBondContact O-N 3.43Å; R322-E325 PolarHBondContact O-N 2.9Å; R322-L326 WeakPolarHBondContact O-CB 3.39Å; R322-L326 WeakPolarHBondContact O-CG 3.47Å; R322-L326 PolarHBondContact O-N 2.97Å |
| 323 | E | 82.5 | Confident | 83.2 | Confident | 108 Ų | 108 | 108.5 Ų | 108.5 | 51% | 0.505 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.8 | -41.1 | 174.5 | -79.2 | -180 | 176.1 | 0 | 0 | 111.4 | E319 Q320 I321 L326 N327 | E319-E323 WeakPolarHBondContact O-CB 3.36Å; E319-E323 VanDerWaalsContact O-CG 3.31Å; E319-E323 WeakPolarHBondContact O-CG 3.42Å; E319-E323 PolarHBondContact O-N 3.12Å; Q320-E323 PolarHBondContact O-N 3.01Å; I321-E323 VanDerWaalsContact C-N 3.34Å; I321-E323 PolarHBondContact O-N 3.08Å; E323-L326 PolarHBondContact O-N 2.95Å; E323-N327 WeakPolarHBondContact O-CB 3.48Å; E323-N327 PolarHBondContact O-N 3.19Å; E323-N327 PolarHBondContact O-ND2 3.45Å |
| 324 | L | 85.1 | Confident | 83.3 | Confident | 106 Ų | 106 | 106.1 Ų | 106.1 | 56% | 0.555 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -65.8 | -46.1 | 175.3 | -71.9 | 173.3 | 0 | 0 | 0 | 112.1 | Q320 I321 R322 L326 N327 E328 | Q320-L324 VanDerWaalsContact O-CG 3.32Å; Q320-L324 WeakPolarHBondContact O-CG 3.5Å; Q320-L324 PolarHBondContact O-N 3.31Å; I321-L324 PolarHBondContact O-N 2.85Å; R322-L324 VanDerWaalsContact C-N 3.34Å; R322-L324 PolarHBondContact O-N 3.43Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-L326 PolarHBondContact O-N 3.45Å; L324-N327 PolarHBondContact O-N 2.94Å; L324-E328 WeakPolarHBondContact O-CG 3.27Å; L324-E328 PolarHBondContact O-N 3.25Å |
| 325 | E | 82.4 | Confident | 83.4 | Confident | 113 Ų | 113 | 103.9 Ų | 103.9 | 53% | 0.528 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -42.9 | 175.6 | -72.2 | 175.5 | 174.3 | 0 | 0 | 111.2 | I321 R322 E328 L329 | I321-E325 HydrophobicContact CG2-CG 4.46Å; I321-E325 WeakPolarHBondContact O-CG 3.33Å; I321-E325 PolarHBondContact O-N 3.47Å; R322-E325 PolarHBondContact O-N 2.9Å; E325-E328 PolarHBondContact O-N 2.97Å; E325-L329 VanDerWaalsContact O-CG 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.41Å; E325-L329 PolarHBondContact O-N 2.85Å |
| 326 | L | 76.3 | Confident | 83.8 | Confident | 97 Ų | 97 | 104 Ų | 104 | 51% | 0.508 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.9 | -46.6 | 174.3 | -72.3 | 170.4 | 0 | 0 | 0 | 111.5 | R322 E323 L324 E328 L329 E330 | R322-L326 WeakPolarHBondContact O-CB 3.39Å; R322-L326 WeakPolarHBondContact O-CG 3.47Å; R322-L326 PolarHBondContact O-N 2.97Å; E323-L326 PolarHBondContact O-N 2.95Å; L324-L326 VanDerWaalsContact C-N 3.31Å; L324-L326 PolarHBondContact O-N 3.45Å; L326-E328 PolarHBondContact O-N 2.94Å; L326-L329 PolarHBondContact O-N 2.82Å; L326-E330 WeakPolarHBondContact O-CG 3.42Å; L326-E330 PolarHBondContact O-N 2.84Å |
| 327 | N | 85.1 | Confident | 84 | Confident | 82 Ų | 82 | 104.9 Ų | 104.9 | 44% | 0.439 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.9 | -40.4 | 176.6 | -75.8 | -49.9 | 0 | 0 | 0 | 112.7 | E323 L324 E330 V331 | E323-N327 WeakPolarHBondContact O-CB 3.48Å; E323-N327 PolarHBondContact O-N 3.19Å; E323-N327 PolarHBondContact O-ND2 3.45Å; L324-N327 PolarHBondContact O-N 2.94Å; N327-E330 PolarHBondContact O-N 3.49Å; N327-V331 VanDerWaalsContact O-CG2 3.3Å; N327-V331 WeakPolarHBondContact O-CG2 3.3Å; N327-V331 PolarHBondContact O-N 3.17Å |
| 328 | E | 85.2 | Confident | 83.9 | Confident | 143 Ų | 143 | 107.5 Ų | 107.5 | 67% | 0.668 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.6 | -42.2 | 176.9 | -76 | -175.3 | 176.8 | 0 | 0 | 111.9 | L324 E325 L326 V331 Y332 | L324-E328 WeakPolarHBondContact O-CG 3.27Å; L324-E328 PolarHBondContact O-N 3.25Å; E325-E328 PolarHBondContact O-N 2.97Å; L326-E328 PolarHBondContact O-N 2.94Å; E328-V331 PolarHBondContact O-N 3.5Å; E328-Y332 WeakPolarHBondContact O-CB 3.32Å; E328-Y332 PolarHBondContact O-N 3.4Å |
| 329 | L | 79.7 | Confident | 84.2 | Confident | 101 Ų | 101 | 106 Ų | 106 | 53% | 0.529 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.2 | -45.7 | 173.8 | -70.5 | 172.4 | 0 | 0 | 0 | 111.1 | E325 L326 V331 Y332 E333 | E325-L329 VanDerWaalsContact O-CG 3.29Å; E325-L329 WeakPolarHBondContact O-CG 3.41Å; E325-L329 PolarHBondContact O-N 2.85Å; L326-L329 PolarHBondContact O-N 2.82Å; L329-V331 VanDerWaalsContact C-N 3.33Å; L329-V331 PolarHBondContact O-N 3.49Å; L329-Y332 PolarHBondContact O-N 3.22Å; L329-E333 WeakPolarHBondContact O-CB 3.46Å; L329-E333 WeakPolarHBondContact O-CG 3.47Å; L329-E333 PolarHBondContact O-N 3.43Å |
| 330 | E | 78.6 | Confident | 84.9 | Confident | 124 Ų | 124 | 107.5 Ų | 107.5 | 58% | 0.579 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -58.3 | -42.4 | 175.4 | -74.2 | -179.7 | -179.1 | 0 | 0 | 112.1 | L326 N327 A334 | L326-E330 WeakPolarHBondContact O-CG 3.42Å; L326-E330 PolarHBondContact O-N 2.84Å; N327-E330 PolarHBondContact O-N 3.49Å; E330-A334 WeakPolarHBondContact O-CB 3.18Å; E330-A334 PolarHBondContact O-N 2.99Å |
| 331 | V | 86.1 | Confident | 84.9 | Confident | 103 Ų | 103 | 107.5 Ų | 107.5 | 62% | 0.624 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -67.4 | -41.3 | 176.8 | 170.9 | 0 | 0 | 0 | 0 | 111.9 | N327 E328 L329 A334 S335 | N327-V331 VanDerWaalsContact O-CG2 3.3Å; N327-V331 WeakPolarHBondContact O-CG2 3.3Å; N327-V331 PolarHBondContact O-N 3.17Å; E328-V331 PolarHBondContact O-N 3.5Å; L329-V331 VanDerWaalsContact C-N 3.33Å; L329-V331 PolarHBondContact O-N 3.49Å; V331-A334 PolarHBondContact O-N 3.38Å; V331-S335 WeakPolarHBondContact O-CB 3.31Å; V331-S335 PolarHBondContact O-N 3.35Å |
| 332 | Y | 84.7 | Confident | 84.9 | Confident | 155 Ų | 155 | 107 Ų | 107 | 61% | 0.608 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.3 | -45.8 | 178.4 | 178 | -103.4 | 0 | 0 | 0 | 111.7 | E328 L329 S335 K336 | E328-Y332 WeakPolarHBondContact O-CB 3.32Å; E328-Y332 PolarHBondContact O-N 3.4Å; L329-Y332 PolarHBondContact O-N 3.22Å; Y332-S335 PolarHBondContact O-N 2.87Å; Y332-K336 WeakPolarHBondContact O-CB 3.11Å; Y332-K336 PolarHBondContact O-N 3.04Å |
| 333 | E | 82.6 | Confident | 85.3 | Confident | 123 Ų | 123 | 106.4 Ų | 106.4 | 58% | 0.575 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -61.5 | -44.9 | 174.9 | -71.5 | -173.5 | 173.3 | 0 | 0 | 111 | L329 S335 K336 L337 | L329-E333 WeakPolarHBondContact O-CB 3.46Å; L329-E333 WeakPolarHBondContact O-CG 3.47Å; L329-E333 PolarHBondContact O-N 3.43Å; E333-S335 PolarHBondContact O-N 3.34Å; E333-K336 PolarHBondContact O-N 3.37Å; E333-L337 WeakPolarHBondContact O-CB 3.4Å; E333-L337 VanDerWaalsContact O-CG 3.28Å; E333-L337 WeakPolarHBondContact O-CG 3.33Å; E333-L337 PolarHBondContact O-N 2.93Å |
| 334 | A | 84.8 | Confident | 85.7 | Confident | 38 Ų | 38 | 105.7 Ų | 105.7 | 31% | 0.314 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -58.1 | -48 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.4 | E330 V331 K336 L337 W338 | E330-A334 WeakPolarHBondContact O-CB 3.18Å; E330-A334 PolarHBondContact O-N 2.99Å; V331-A334 PolarHBondContact O-N 3.38Å; A334-K336 PolarHBondContact O-N 3.13Å; A334-L337 PolarHBondContact O-N 2.94Å; A334-W338 WeakPolarHBondContact O-CB 3.31Å; A334-W338 PolarHBondContact O-N 3.45Å |
| 335 | S | 87.1 | Confident | 86 | Confident | 73 Ų | 73 | 106.4 Ų | 106.4 | 51% | 0.51 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.8 | -41.7 | 179.4 | 178.5 | 0 | 0 | 0 | 0 | 112.6 | V331 Y332 E333 W338 A339 | V331-S335 WeakPolarHBondContact O-CB 3.31Å; V331-S335 PolarHBondContact O-N 3.35Å; Y332-S335 PolarHBondContact O-N 2.87Å; E333-S335 PolarHBondContact O-N 3.34Å; S335-W338 PolarHBondContact O-N 3.08Å; S335-A339 WeakPolarHBondContact O-CB 3.46Å; S335-A339 PolarHBondContact O-N 3.46Å |
| 336 | K | 88.9 | Confident | 86.3 | Confident | 113 Ų | 113 | 108 Ų | 108 | 49% | 0.491 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -66.2 | -40.6 | 176.9 | -173.9 | 177.4 | -179.7 | -179.2 | 0 | 111.7 | Y332 E333 A334 K340 | Y332-K336 WeakPolarHBondContact O-CB 3.11Å; Y332-K336 PolarHBondContact O-N 3.04Å; E333-K336 PolarHBondContact O-N 3.37Å; A334-K336 PolarHBondContact O-N 3.13Å; K336-K340 WeakPolarHBondContact O-CG 3.5Å; K336-K340 PolarHBondContact O-N 2.97Å; K336-K340 VanDerWaalsContact O-N 3.14Å |
| 337 | L | 88.1 | Confident | 87.1 | Confident | 118 Ų | 118 | 107.7 Ų | 107.7 | 62% | 0.618 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -43.6 | 174.1 | -71.4 | 171 | 0 | 0 | 0 | 111.3 | E333 A334 K340 R341 | E333-L337 WeakPolarHBondContact O-CB 3.4Å; E333-L337 VanDerWaalsContact O-CG 3.28Å; E333-L337 WeakPolarHBondContact O-CG 3.33Å; E333-L337 PolarHBondContact O-N 2.93Å; A334-L337 PolarHBondContact O-N 2.94Å; L337-K340 PolarHBondContact O-N 3.22Å; L337-R341 WeakPolarHBondContact O-CB 3.3Å; L337-R341 PolarHBondContact O-N 2.92Å |
| 338 | W | 86.8 | Confident | 87.4 | Confident | 167 Ų | 167 | 108.6 Ų | 108.6 | 63% | 0.633 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.1 | -45 | 175.4 | -80.2 | 115.4 | 0 | 0 | 0 | 112.3 | A334 S335 K340 R341 E342 | A334-W338 WeakPolarHBondContact O-CB 3.31Å; A334-W338 PolarHBondContact O-N 3.45Å; S335-W338 PolarHBondContact O-N 3.08Å; W338-K340 PolarHBondContact O-N 3.48Å; W338-R341 PolarHBondContact O-N 3.46Å; W338-E342 WeakPolarHBondContact O-CB 3.2Å; W338-E342 PolarHBondContact O-N 3.17Å |
| 339 | A | 88.2 | Confident | 87.6 | Confident | 55 Ų | 55 | 105.5 Ų | 105.5 | 46% | 0.455 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61.8 | -45 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | S335 R341 E342 E343 | S335-A339 WeakPolarHBondContact O-CB 3.46Å; S335-A339 PolarHBondContact O-N 3.46Å; A339-R341 VanDerWaalsContact C-N 3.34Å; A339-R341 PolarHBondContact O-N 3.45Å; A339-E342 PolarHBondContact O-N 2.89Å; A339-E343 PolarHBondContact O-N 2.95Å |
| 340 | K | 91.2 | Very high | 88.1 | Confident | 113 Ų | 113 | 102.3 Ų | 102.3 | 49% | 0.491 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -59.8 | -45.6 | 173.5 | -73.9 | 179.6 | 175.8 | -171.3 | 0 | 111.4 | K336 L337 W338 E342 E343 E344 | K336-K340 WeakPolarHBondContact O-CG 3.5Å; K336-K340 PolarHBondContact O-N 2.97Å; K336-K340 VanDerWaalsContact O-N 3.14Å; L337-K340 PolarHBondContact O-N 3.22Å; W338-K340 PolarHBondContact O-N 3.48Å; K340-E342 VanDerWaalsContact C-N 3.31Å; K340-E342 PolarHBondContact O-N 3.34Å; K340-E343 PolarHBondContact O-N 3.47Å; K340-E344 WeakPolarHBondContact O-CG 3.39Å; K340-E344 PolarHBondContact O-N 2.93Å |
| 341 | R | 90.3 | Very high | 88.8 | Confident | 97 Ų | 97 | 101 Ų | 101 | 37% | 0.366 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -35.2 | -179 | -164.2 | 60.4 | 179.1 | 134.7 | 6.2 | 112.3 | L337 W338 A339 E344 W345 E348 | L337-R341 WeakPolarHBondContact O-CB 3.3Å; L337-R341 PolarHBondContact O-N 2.92Å; W338-R341 PolarHBondContact O-N 3.46Å; A339-R341 VanDerWaalsContact C-N 3.34Å; A339-R341 PolarHBondContact O-N 3.45Å; R341-E344 VanDerWaalsContact CD-OE2 3.23Å; R341-E344 WeakPolarHBondContact CD-OE2 3.46Å; R341-E344 IonicContact CZ-OE2 3.18Å; R341-E344 IonicContact NE-OE2 3.89Å; R341-E344 IonicContact NH1-OE2 3.95Å; R341-E344 PolarHBondContact NH1-OE2 3.38Å; R341-E344 PolarHBondContact O-N 2.89Å; R341-W345 HydrophobicContact CG-CD2 4.43Å; R341-W345 HydrophobicContact CG-CZ2 4.28Å; R341-W345 WeakPolarHBondContact O-CB 3.47Å; R341-W345 PolarHBondContact O-N 3.06Å; R341-E348 IonicContact NH1-OE1 2.67Å |
| 342 | E | 88 | Confident | 89 | Confident | 87 Ų | 87 | 104.2 Ų | 104.2 | 41% | 0.407 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -68.5 | -38.7 | 175.2 | -162.1 | -178.7 | 172.4 | 0 | 0 | 111.8 | W338 A339 K340 W345 R346 | W338-E342 WeakPolarHBondContact O-CB 3.2Å; W338-E342 PolarHBondContact O-N 3.17Å; A339-E342 PolarHBondContact O-N 2.89Å; K340-E342 VanDerWaalsContact C-N 3.31Å; K340-E342 PolarHBondContact O-N 3.34Å; E342-W345 PolarHBondContact O-N 3.2Å; E342-R346 VanDerWaalsContact O-CG 3.31Å; E342-R346 WeakPolarHBondContact O-CG 3.32Å; E342-R346 PolarHBondContact O-N 3.02Å; E342-R346 IonicContact OE1-CZ 2.94Å; E342-R346 IonicContact OE1-NE 2.73Å; E342-R346 IonicContact OE1-NH2 3.65Å; E342-R346 PolarHBondContact OE1-NH2 3.2Å; E342-R346 IonicContact OE2-NH2 3.64Å |
| 343 | E | 89.1 | Confident | 89.3 | Confident | 118 Ų | 118 | 100.3 Ų | 100.3 | 55% | 0.551 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.2 | -45.4 | 172.7 | -173.9 | 174.7 | -168.4 | 0 | 0 | 111.9 | A339 K340 W345 R346 N347 | A339-E343 PolarHBondContact O-N 2.95Å; K340-E343 PolarHBondContact O-N 3.47Å; E343-W345 VanDerWaalsContact C-N 3.33Å; E343-W345 PolarHBondContact O-N 3.45Å; E343-R346 PolarHBondContact O-N 3.46Å; E343-N347 PolarHBondContact O-N 2.89Å; E343-N347 PolarHBondContact O-ND2 3.02Å |
| 344 | E | 92.1 | Very high | 89.8 | Confident | 93 Ų | 93 | 100.6 Ų | 100.6 | 44% | 0.435 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -56.4 | -46.9 | 172.6 | -73.3 | 171.5 | -175.8 | 0 | 0 | 111.2 | K340 R341 R346 N347 E348 | K340-E344 WeakPolarHBondContact O-CG 3.39Å; K340-E344 PolarHBondContact O-N 2.93Å; R341-E344 VanDerWaalsContact CD-OE2 3.23Å; R341-E344 WeakPolarHBondContact CD-OE2 3.46Å; R341-E344 IonicContact CZ-OE2 3.18Å; R341-E344 IonicContact NE-OE2 3.89Å; R341-E344 IonicContact NH1-OE2 3.95Å; R341-E344 PolarHBondContact NH1-OE2 3.38Å; R341-E344 PolarHBondContact O-N 2.89Å; E344-R346 PolarHBondContact O-N 2.86Å; E344-N347 PolarHBondContact O-N 2.91Å; E344-E348 WeakPolarHBondContact O-CB 3.38Å; E344-E348 VanDerWaalsContact O-CG 3.31Å; E344-E348 WeakPolarHBondContact O-CG 3.27Å; E344-E348 PolarHBondContact O-N 3.3Å |
| 345 | W | 90.8 | Very high | 90.2 | Very high | 122 Ų | 122 | 103.9 Ų | 103.9 | 46% | 0.462 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | 176.3 | -76.7 | -16.6 | 0 | 0 | 0 | 113.6 | R341 E342 E343 T349 | R341-W345 HydrophobicContact CG-CD2 4.43Å; R341-W345 HydrophobicContact CG-CZ2 4.28Å; R341-W345 WeakPolarHBondContact O-CB 3.47Å; R341-W345 PolarHBondContact O-N 3.06Å; E342-W345 PolarHBondContact O-N 3.2Å; E343-W345 VanDerWaalsContact C-N 3.33Å; E343-W345 PolarHBondContact O-N 3.45Å; W345-T349 WeakPolarHBondContact O-CB 3.25Å; W345-T349 VanDerWaalsContact O-CG2 3.24Å; W345-T349 WeakPolarHBondContact O-CG2 3.38Å; W345-T349 PolarHBondContact O-N 2.76Å; W345-T349 PolarHBondContact O-OG1 3.25Å |
| 346 | R | 88.9 | Confident | 90.4 | Very high | 147 Ų | 147 | 103 Ų | 103 | 56% | 0.555 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.7 | -42.4 | 173.4 | -74.4 | 174.6 | -167.8 | 158 | 5.6 | 111.4 | E342 E343 E344 T349 A350 | E342-R346 VanDerWaalsContact O-CG 3.31Å; E342-R346 WeakPolarHBondContact O-CG 3.32Å; E342-R346 PolarHBondContact O-N 3.02Å; E342-R346 IonicContact OE1-CZ 2.94Å; E342-R346 IonicContact OE1-NE 2.73Å; E342-R346 IonicContact OE1-NH2 3.65Å; E342-R346 PolarHBondContact OE1-NH2 3.2Å; E342-R346 IonicContact OE2-NH2 3.64Å; E343-R346 PolarHBondContact O-N 3.46Å; E344-R346 PolarHBondContact O-N 2.86Å; R346-T349 WeakPolarHBondContact CA-OG1 3.43Å; R346-T349 PolarHBondContact O-OG1 3.34Å; R346-A350 VanDerWaalsContact O-CB 3.31Å; R346-A350 WeakPolarHBondContact O-CB 3.3Å; R346-A350 PolarHBondContact O-N 3.42Å |
| 347 | N | 93.3 | Very high | 90.5 | Very high | 89 Ų | 89 | 101.6 Ų | 101.6 | 48% | 0.476 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.5 | -44.5 | 177.1 | -68.7 | -25.1 | 0 | 0 | 0 | 111.6 | E343 E344 A350 N351 | E343-N347 PolarHBondContact O-N 2.89Å; E343-N347 PolarHBondContact O-ND2 3.02Å; E344-N347 PolarHBondContact O-N 2.91Å; N347-A350 PolarHBondContact O-N 3.3Å; N347-N351 WeakPolarHBondContact O-CB 3.44Å; N347-N351 PolarHBondContact O-N 2.97Å; N347-N351 PolarHBondContact O-ND2 3.44Å |
| 348 | E | 91.2 | Very high | 90.8 | Very high | 101 Ų | 101 | 100.9 Ų | 100.9 | 47% | 0.472 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -60.7 | -44.3 | 175.4 | -75.5 | 174.7 | -165.3 | 0 | 0 | 111.7 | R341 E344 N351 R352 | R341-E348 IonicContact NH1-OE1 2.67Å; E344-E348 WeakPolarHBondContact O-CB 3.38Å; E344-E348 VanDerWaalsContact O-CG 3.31Å; E344-E348 WeakPolarHBondContact O-CG 3.27Å; E344-E348 PolarHBondContact O-N 3.3Å; E348-N351 PolarHBondContact O-N 3.25Å; E348-R352 VanDerWaalsContact O-CB 3.22Å; E348-R352 WeakPolarHBondContact O-CB 3.4Å; E348-R352 PolarHBondContact O-N 2.99Å |
| 349 | T | 88.9 | Confident | 91.2 | Very high | 78 Ų | 78 | 97.2 Ų | 97.2 | 48% | 0.479 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 177.6 | 49.3 | 0 | 0 | 0 | 0 | 111.8 | W345 R346 N351 R352 Q353 | W345-T349 WeakPolarHBondContact O-CB 3.25Å; W345-T349 VanDerWaalsContact O-CG2 3.24Å; W345-T349 WeakPolarHBondContact O-CG2 3.38Å; W345-T349 PolarHBondContact O-N 2.76Å; W345-T349 PolarHBondContact O-OG1 3.25Å; R346-T349 WeakPolarHBondContact CA-OG1 3.43Å; R346-T349 PolarHBondContact O-OG1 3.34Å; T349-N351 PolarHBondContact O-N 3.27Å; T349-R352 PolarHBondContact O-N 3.01Å; T349-Q353 WeakPolarHBondContact O-CB 3.42Å; T349-Q353 VanDerWaalsContact O-CG 3.26Å; T349-Q353 WeakPolarHBondContact O-CG 3.34Å; T349-Q353 PolarHBondContact O-N 2.95Å |
| 350 | A | 90.4 | Very high | 91.5 | Very high | 35 Ų | 35 | 95.6 Ų | 95.6 | 29% | 0.289 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.1 | -42.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | R346 N347 Q353 K354 | R346-A350 VanDerWaalsContact O-CB 3.31Å; R346-A350 WeakPolarHBondContact O-CB 3.3Å; R346-A350 PolarHBondContact O-N 3.42Å; N347-A350 PolarHBondContact O-N 3.3Å; A350-Q353 PolarHBondContact O-N 2.99Å; A350-K354 WeakPolarHBondContact O-CG 3.17Å; A350-K354 PolarHBondContact O-N 2.89Å |
| 351 | N | 93.8 | Very high | 91.6 | Very high | 97 Ų | 97 | 93.9 Ų | 93.9 | 52% | 0.519 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -66.3 | -41.8 | 176.9 | -71.1 | -16.5 | 0 | 0 | 0 | 111.7 | N347 E348 T349 Q353 K354 L355 | N347-N351 WeakPolarHBondContact O-CB 3.44Å; N347-N351 PolarHBondContact O-N 2.97Å; N347-N351 PolarHBondContact O-ND2 3.44Å; E348-N351 PolarHBondContact O-N 3.25Å; T349-N351 PolarHBondContact O-N 3.27Å; N351-Q353 VanDerWaalsContact C-N 3.3Å; N351-Q353 PolarHBondContact O-N 3.05Å; N351-K354 PolarHBondContact O-N 2.7Å; N351-L355 WeakPolarHBondContact O-CB 3.45Å; N351-L355 PolarHBondContact O-N 2.85Å |
| 352 | R | 90.4 | Very high | 91.8 | Very high | 169 Ų | 169 | 93.1 Ų | 93.1 | 64% | 0.638 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -61.3 | -39.3 | 174.7 | 178.9 | -180 | 170.6 | 178.1 | -0.5 | 112 | E348 T349 L356 | E348-R352 VanDerWaalsContact O-CB 3.22Å; E348-R352 WeakPolarHBondContact O-CB 3.4Å; E348-R352 PolarHBondContact O-N 2.99Å; T349-R352 PolarHBondContact O-N 3.01Å; R352-L356 VanDerWaalsContact O-CB 3.3Å; R352-L356 WeakPolarHBondContact O-CB 3.29Å; R352-L356 PolarHBondContact O-N 3.41Å |
| 353 | Q | 90.3 | Very high | 92.2 | Very high | 74 Ų | 74 | 93.2 Ų | 93.2 | 35% | 0.346 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 176.6 | -76.4 | -179.4 | -26.8 | 0 | 0 | 112 | E242 T349 A350 N351 L356 H357 | E242-Q353 WeakPolarHBondContact OE1-CG 3.4Å; E242-Q353 PolarHBondContact OE1-NE2 3.3Å; E242-Q353 PolarHBondContact OE2-NE2 3.15Å; T349-Q353 WeakPolarHBondContact O-CB 3.42Å; T349-Q353 VanDerWaalsContact O-CG 3.26Å; T349-Q353 WeakPolarHBondContact O-CG 3.34Å; T349-Q353 PolarHBondContact O-N 2.95Å; A350-Q353 PolarHBondContact O-N 2.99Å; N351-Q353 VanDerWaalsContact C-N 3.3Å; N351-Q353 PolarHBondContact O-N 3.05Å; Q353-L356 PolarHBondContact O-N 3.12Å; Q353-H357 WeakPolarHBondContact O-CB 3.46Å; Q353-H357 PolarHBondContact O-N 2.66Å |
| 354 | K | 93.1 | Very high | 92.4 | Very high | 129 Ų | 129 | 90.9 Ų | 90.9 | 56% | 0.561 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -57.6 | -50.9 | 175.1 | -71 | 174.4 | -178.1 | 178.4 | 0 | 111.4 | A350 N351 L356 H357 E358 | A350-K354 WeakPolarHBondContact O-CG 3.17Å; A350-K354 PolarHBondContact O-N 2.89Å; N351-K354 PolarHBondContact O-N 2.7Å; K354-L356 VanDerWaalsContact C-N 3.31Å; K354-L356 PolarHBondContact O-N 3.38Å; K354-H357 PolarHBondContact O-N 3.43Å; K354-H357 VanDerWaalsContact O-N 3.16Å; K354-E358 WeakPolarHBondContact O-CG 3.33Å; K354-E358 PolarHBondContact O-N 2.95Å |
| 355 | L | 92.9 | Very high | 92.6 | Very high | 106 Ų | 106 | 91.6 Ų | 91.6 | 56% | 0.555 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -60.1 | -40.9 | 178.9 | -176.1 | 67.8 | 0 | 0 | 0 | 112.1 | N351 E358 V359 | N351-L355 WeakPolarHBondContact O-CB 3.45Å; N351-L355 PolarHBondContact O-N 2.85Å; L355-E358 PolarHBondContact O-N 2.9Å; L355-V359 VanDerWaalsContact O-CG2 3.24Å; L355-V359 WeakPolarHBondContact O-CG2 2.9Å; L355-V359 PolarHBondContact O-N 2.94Å |
| 356 | L | 91.1 | Very high | 92.8 | Very high | 54 Ų | 54 | 90.4 Ų | 90.4 | 28% | 0.283 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.2 | -40 | 177.9 | -177.9 | 139.5 | 0 | 0 | 0 | 111.8 | R238 R352 Q353 K354 V359 I360 | R238-L356 HydrophobicContact CG-CD1 4.4Å; R352-L356 VanDerWaalsContact O-CB 3.3Å; R352-L356 WeakPolarHBondContact O-CB 3.29Å; R352-L356 PolarHBondContact O-N 3.41Å; Q353-L356 PolarHBondContact O-N 3.12Å; K354-L356 VanDerWaalsContact C-N 3.31Å; K354-L356 PolarHBondContact O-N 3.38Å; L356-V359 PolarHBondContact O-N 2.93Å; L356-I360 HydrophobicContact CD2-CD1 3.64Å; L356-I360 HydrophobicContact CG-CD1 4.37Å; L356-I360 WeakPolarHBondContact O-CG1 3.12Å; L356-I360 PolarHBondContact O-N 2.81Å |
| 357 | H | 91.6 | Very high | 93.1 | Very high | 85 Ų | 85 | 83.4 Ų | 83.4 | 39% | 0.394 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -64.4 | -46.4 | 175.7 | -173.7 | 61.6 | 0 | 0 | 0 | 111.3 | Q353 K354 V359 I360 E361 | Q353-H357 WeakPolarHBondContact O-CB 3.46Å; Q353-H357 PolarHBondContact O-N 2.66Å; K354-H357 PolarHBondContact O-N 3.43Å; K354-H357 VanDerWaalsContact O-N 3.16Å; H357-V359 VanDerWaalsContact C-N 3.32Å; H357-V359 PolarHBondContact O-N 3.12Å; H357-I360 PolarHBondContact O-N 2.86Å; H357-I360 VanDerWaalsContact O-N 3.13Å; H357-E361 IonicContact CD2-OE1 3.54Å; H357-E361 IonicContact CE1-OE1 2.73Å; H357-E361 IonicContact NE2-OE1 3.5Å; H357-E361 PolarHBondContact NE2-OE1 3.48Å; H357-E361 WeakPolarHBondContact O-CG 3.24Å; H357-E361 PolarHBondContact O-N 3.45Å |
| 358 | E | 94.4 | Very high | 93.2 | Very high | 102 Ų | 102 | 81.6 Ų | 81.6 | 48% | 0.477 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -56 | -45.4 | 174.3 | -72.5 | 169.1 | -171.9 | 0 | 0 | 111.5 | K354 L355 I360 E361 D362 | K354-E358 WeakPolarHBondContact O-CG 3.33Å; K354-E358 PolarHBondContact O-N 2.95Å; L355-E358 PolarHBondContact O-N 2.9Å; E358-I360 VanDerWaalsContact C-N 3.34Å; E358-I360 PolarHBondContact O-N 3.42Å; E358-E361 PolarHBondContact O-N 3.38Å; E358-D362 VanDerWaalsContact O-CB 3.31Å; E358-D362 WeakPolarHBondContact O-CB 3.46Å; E358-D362 VanDerWaalsContact O-CG 3.28Å; E358-D362 PolarHBondContact O-N 3.01Å |
| 359 | V | 95.1 | Very high | 93.4 | Very high | 91 Ų | 91 | 81.7 Ų | 81.7 | 55% | 0.552 | 40% | 0.401 | S | S | * | . | H | α-helix | trans | -62.4 | -39.5 | 177.4 | 169.6 | 0 | 0 | 0 | 0 | 112.3 | L355 L356 H357 R363 | L355-V359 VanDerWaalsContact O-CG2 3.24Å; L355-V359 WeakPolarHBondContact O-CG2 2.9Å; L355-V359 PolarHBondContact O-N 2.94Å; L356-V359 PolarHBondContact O-N 2.93Å; H357-V359 VanDerWaalsContact C-N 3.32Å; H357-V359 PolarHBondContact O-N 3.12Å; V359-R363 WeakPolarHBondContact O-CB 3.44Å; V359-R363 PolarHBondContact O-N 3.29Å |
| 360 | I | 93.7 | Very high | 93.8 | Very high | 21 Ų | 21 | 82.1 Ų | 82.1 | 11% | 0.108 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -68.1 | -45.4 | 176.6 | -72.1 | 172.4 | 0 | 0 | 0 | 110.6 | I231 E235 L356 H357 E358 R363 R364 | I231-I360 HydrophobicContact CG2-CG2 3.76Å; E235-I360 HydrophobicContact CB-CD1 4.15Å; E235-I360 HydrophobicContact CG-CD1 4.16Å; L356-I360 HydrophobicContact CD2-CD1 3.64Å; L356-I360 HydrophobicContact CG-CD1 4.37Å; L356-I360 WeakPolarHBondContact O-CG1 3.12Å; L356-I360 PolarHBondContact O-N 2.81Å; H357-I360 PolarHBondContact O-N 2.86Å; H357-I360 VanDerWaalsContact O-N 3.13Å; E358-I360 VanDerWaalsContact C-N 3.34Å; E358-I360 PolarHBondContact O-N 3.42Å; I360-R363 PolarHBondContact O-N 2.82Å; I360-R364 WeakPolarHBondContact O-CB 3.37Å; I360-R364 WeakPolarHBondContact O-CG 3.24Å; I360-R364 PolarHBondContact O-N 3.33Å |
| 361 | E | 94 | Very high | 94 | Very high | 76 Ų | 76 | 81.4 Ų | 81.4 | 36% | 0.355 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -63.1 | -43.9 | 178.1 | -73 | -166.4 | 151.5 | 0 | 0 | 111.9 | H357 E358 R363 R364 K365 | H357-E361 IonicContact CD2-OE1 3.54Å; H357-E361 IonicContact CE1-OE1 2.73Å; H357-E361 IonicContact NE2-OE1 3.5Å; H357-E361 PolarHBondContact NE2-OE1 3.48Å; H357-E361 WeakPolarHBondContact O-CG 3.24Å; H357-E361 PolarHBondContact O-N 3.45Å; E358-E361 PolarHBondContact O-N 3.38Å; E361-R363 VanDerWaalsContact C-N 3.33Å; E361-R363 PolarHBondContact O-N 2.9Å; E361-R364 WeakPolarHBondContact O-CB 3.31Å; E361-R364 PolarHBondContact O-N 2.8Å; E361-K365 VanDerWaalsContact O-CG 3.32Å; E361-K365 WeakPolarHBondContact O-CG 3.43Å; E361-K365 PolarHBondContact O-N 3.48Å |
| 362 | D | 95.3 | Very high | 94.1 | Very high | 82 Ų | 82 | 80.6 Ų | 80.6 | 44% | 0.439 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -64.4 | -40.4 | 177.2 | -75.1 | -11.2 | 0 | 0 | 0 | 111.1 | E358 K365 Q366 | E358-D362 VanDerWaalsContact O-CB 3.31Å; E358-D362 WeakPolarHBondContact O-CB 3.46Å; E358-D362 VanDerWaalsContact O-CG 3.28Å; E358-D362 PolarHBondContact O-N 3.01Å; D362-K365 PolarHBondContact O-N 3.46Å; D362-K365 IonicContact OD1-NZ 3.06Å; D362-Q366 VanDerWaalsContact O-CG 3.3Å; D362-Q366 WeakPolarHBondContact O-CG 3.37Å; D362-Q366 PolarHBondContact O-N 3.44Å |
| 363 | R | 94.8 | Very high | 94.3 | Very high | 88 Ų | 88 | 75.7 Ų | 75.7 | 33% | 0.332 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.7 | -39.9 | 174.2 | -175.7 | 60.6 | -176.2 | 171.7 | 2.7 | 111.9 | E227 I231 V359 I360 E361 Q366 I367 | E227-R363 IonicContact OE2-CZ 3.49Å; E227-R363 IonicContact OE2-NH2 3.26Å; E227-R363 PolarHBondContact OE2-NH2 3.02Å; I231-R363 HydrophobicContact CD1-CB 4.32Å; I231-R363 HydrophobicContact CD1-CG 3.44Å; I231-R363 VanDerWaalsContact CD1-CG 3.44Å; I231-R363 HydrophobicContact CG1-CG 4.4Å; V359-R363 WeakPolarHBondContact O-CB 3.44Å; V359-R363 PolarHBondContact O-N 3.29Å; I360-R363 PolarHBondContact O-N 2.82Å; E361-R363 VanDerWaalsContact C-N 3.33Å; E361-R363 PolarHBondContact O-N 2.9Å; R363-Q366 PolarHBondContact O-N 2.83Å; R363-I367 HydrophobicContact CG-CD1 4.14Å; R363-I367 WeakPolarHBondContact O-CG1 3.45Å; R363-I367 PolarHBondContact O-N 3.29Å |
| 364 | R | 94.3 | Very high | 94.6 | Very high | 70 Ų | 70 | 72.9 Ų | 72.9 | 26% | 0.264 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -60.7 | -44.6 | 173.9 | -79.9 | 177.3 | 167.5 | 150.8 | 0.3 | 111.3 | L228 I231 D232 E235 I360 E361 I367 S368 | L228-R364 HydrophobicContact CD2-CG 4.26Å; I231-R364 HydrophobicContact CG2-CG 4.27Å; D232-R364 IonicContact OD1-CZ 3.54Å; D232-R364 IonicContact OD1-NE 3.06Å; D232-R364 IonicContact OD1-NH2 3.82Å; D232-R364 PolarHBondContact OD1-NH2 3.43Å; E235-R364 IonicContact OE1-NH1 3.8Å; E235-R364 PolarHBondContact OE1-NH1 3.34Å; E235-R364 IonicContact OE2-CZ 3.86Å; E235-R364 VanDerWaalsContact OE2-CZ 3.26Å; E235-R364 IonicContact OE2-NH1 3.64Å; E235-R364 PolarHBondContact OE2-NH1 3.07Å; E235-R364 IonicContact OE2-NH2 2.84Å; E235-R364 PolarHBondContact OE2-NH2 2.84Å; I360-R364 WeakPolarHBondContact O-CB 3.37Å; I360-R364 WeakPolarHBondContact O-CG 3.24Å; I360-R364 PolarHBondContact O-N 3.33Å; E361-R364 WeakPolarHBondContact O-CB 3.31Å; E361-R364 PolarHBondContact O-N 2.8Å; R364-I367 PolarHBondContact O-N 3.12Å; R364-S368 PolarHBondContact O-N 2.94Å; R364-S368 PolarHBondContact O-OG 3.27Å |
| 365 | K | 95.7 | Very high | 94.6 | Very high | 108 Ų | 108 | 70.9 Ų | 70.9 | 47% | 0.47 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -60.1 | -47 | 175.4 | -72.5 | 170.1 | -169.6 | 159.9 | 0 | 111.6 | E361 D362 I367 S368 D369 | E361-K365 VanDerWaalsContact O-CG 3.32Å; E361-K365 WeakPolarHBondContact O-CG 3.43Å; E361-K365 PolarHBondContact O-N 3.48Å; D362-K365 PolarHBondContact O-N 3.46Å; D362-K365 IonicContact OD1-NZ 3.06Å; K365-I367 VanDerWaalsContact C-N 3.3Å; K365-I367 PolarHBondContact O-N 2.94Å; K365-S368 VanDerWaalsContact CA-OG 3.31Å; K365-S368 WeakPolarHBondContact CA-OG 3.35Å; K365-S368 PolarHBondContact O-N 2.9Å; K365-S368 PolarHBondContact O-OG 3.45Å; K365-D369 WeakPolarHBondContact O-CB 3.48Å; K365-D369 PolarHBondContact O-N 3.43Å |
| 366 | Q | 95.6 | Very high | 94.8 | Very high | 96 Ų | 96 | 70.7 Ų | 70.7 | 45% | 0.449 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -57 | -44.1 | 175.9 | -73.3 | 171.4 | 9.2 | 0 | 0 | 112.2 | D362 R363 D369 Q370 | D362-Q366 VanDerWaalsContact O-CG 3.3Å; D362-Q366 WeakPolarHBondContact O-CG 3.37Å; D362-Q366 PolarHBondContact O-N 3.44Å; R363-Q366 PolarHBondContact O-N 2.83Å; Q366-D369 PolarHBondContact O-N 3.14Å; Q366-Q370 VanDerWaalsContact O-CG 3.27Å; Q366-Q370 WeakPolarHBondContact O-CG 3.44Å; Q366-Q370 PolarHBondContact O-N 2.96Å |
| 367 | I | 95.5 | Very high | 94.9 | Very high | 0 Ų | 0 | 71.5 Ų | 71.5 | 0% | 0 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -71.5 | -37.9 | 178.7 | -63.5 | 164.9 | 0 | 0 | 0 | 111 | L224 E227 L228 I231 R363 R364 K365 D369 Q370 L371 | L224-I367 HydrophobicContact CB-CG2 3.94Å; L224-I367 HydrophobicContact CD2-CG2 4.12Å; L224-I367 HydrophobicContact CG-CG2 4.46Å; E227-I367 HydrophobicContact CB-CD1 3.93Å; L228-I367 HydrophobicContact CD1-CG2 3.92Å; L228-I367 HydrophobicContact CD2-CB 3.91Å; L228-I367 HydrophobicContact CD2-CD1 4.01Å; L228-I367 HydrophobicContact CD2-CG2 3.83Å; L228-I367 HydrophobicContact CG-CB 4.23Å; L228-I367 HydrophobicContact CG-CD1 4.35Å; L228-I367 HydrophobicContact CG-CG2 3.57Å; I231-I367 HydrophobicContact CD1-CD1 3.32Å; R363-I367 HydrophobicContact CG-CD1 4.14Å; R363-I367 WeakPolarHBondContact O-CG1 3.45Å; R363-I367 PolarHBondContact O-N 3.29Å; R364-I367 PolarHBondContact O-N 3.12Å; K365-I367 VanDerWaalsContact C-N 3.3Å; K365-I367 PolarHBondContact O-N 2.94Å; I367-D369 VanDerWaalsContact C-N 3.32Å; I367-D369 PolarHBondContact O-N 3.04Å; I367-Q370 PolarHBondContact O-N 3.37Å; I367-L371 HydrophobicContact CG2-CD1 4.12Å; I367-L371 HydrophobicContact CG2-CG 4.32Å; I367-L371 WeakPolarHBondContact O-CB 3.32Å; I367-L371 WeakPolarHBondContact O-CG 3.47Å; I367-L371 PolarHBondContact O-N 3.45Å |
| 368 | S | 94.5 | Very high | 95 | Very high | 51 Ų | 51 | 69.5 Ų | 69.5 | 36% | 0.357 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -38.5 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | R364 K365 Q370 L371 T372 | R364-S368 PolarHBondContact O-N 2.94Å; R364-S368 PolarHBondContact O-OG 3.27Å; K365-S368 VanDerWaalsContact CA-OG 3.31Å; K365-S368 WeakPolarHBondContact CA-OG 3.35Å; K365-S368 PolarHBondContact O-N 2.9Å; K365-S368 PolarHBondContact O-OG 3.45Å; S368-Q370 VanDerWaalsContact C-N 3.33Å; S368-L371 PolarHBondContact O-N 2.89Å; S368-T372 WeakPolarHBondContact O-CG2 3.3Å; S368-T372 PolarHBondContact O-N 3.21Å; S368-T372 PolarHBondContact O-OG1 3.38Å |
| 369 | D | 96.4 | Very high | 95 | Very high | 104 Ų | 104 | 70.2 Ų | 70.2 | 56% | 0.556 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.5 | -37.3 | 175.9 | -65.1 | -15.6 | 0 | 0 | 0 | 111.3 | K365 Q366 I367 T372 S373 | K365-D369 WeakPolarHBondContact O-CB 3.48Å; K365-D369 PolarHBondContact O-N 3.43Å; Q366-D369 PolarHBondContact O-N 3.14Å; I367-D369 VanDerWaalsContact C-N 3.32Å; I367-D369 PolarHBondContact O-N 3.04Å; D369-T372 WeakPolarHBondContact CA-OG1 3.42Å; D369-T372 PolarHBondContact O-OG1 3.3Å; D369-S373 WeakPolarHBondContact O-CB 3.3Å; D369-S373 PolarHBondContact O-N 3.49Å |
| 370 | Q | 96.3 | Very high | 94.9 | Very high | 86 Ų | 86 | 70.4 Ų | 70.4 | 40% | 0.402 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 172.9 | -72.7 | 175.2 | -9.2 | 0 | 0 | 112.1 | L224 Q366 I367 S368 S373 I374 | L224-Q370 HydrophobicContact CD1-CB 3.67Å; L224-Q370 VanDerWaalsContact CD2-OE1 3.24Å; Q366-Q370 VanDerWaalsContact O-CG 3.27Å; Q366-Q370 WeakPolarHBondContact O-CG 3.44Å; Q366-Q370 PolarHBondContact O-N 2.96Å; I367-Q370 PolarHBondContact O-N 3.37Å; S368-Q370 VanDerWaalsContact C-N 3.33Å; Q370-S373 PolarHBondContact O-N 3Å; Q370-I374 WeakPolarHBondContact O-CG1 3.28Å; Q370-I374 PolarHBondContact O-N 2.86Å |
| 371 | L | 95.3 | Very high | 94.7 | Very high | 21 Ų | 21 | 71.9 Ų | 71.9 | 11% | 0.11 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -65.2 | -44 | 175.6 | -76.6 | 170.9 | 0 | 0 | 0 | 111.6 | E221 L224 L228 I367 S368 S373 I374 Q375 | E221-L371 HydrophobicContact CG-CD2 3.8Å; L224-L371 HydrophobicContact CB-CD2 3.82Å; L224-L371 HydrophobicContact CB-CG 4.16Å; L224-L371 HydrophobicContact CD1-CD2 3.95Å; L224-L371 HydrophobicContact CD1-CG 4.06Å; L228-L371 HydrophobicContact CD1-CD1 3.62Å; I367-L371 HydrophobicContact CG2-CD1 4.12Å; I367-L371 HydrophobicContact CG2-CG 4.32Å; I367-L371 WeakPolarHBondContact O-CB 3.32Å; I367-L371 WeakPolarHBondContact O-CG 3.47Å; I367-L371 PolarHBondContact O-N 3.45Å; S368-L371 PolarHBondContact O-N 2.89Å; L371-S373 VanDerWaalsContact C-N 3.34Å; L371-S373 PolarHBondContact O-N 3.3Å; L371-I374 PolarHBondContact O-N 3.45Å; L371-Q375 WeakPolarHBondContact O-CB 3.25Å; L371-Q375 VanDerWaalsContact O-CG 3.26Å; L371-Q375 WeakPolarHBondContact O-CG 3.27Å; L371-Q375 PolarHBondContact O-N 2.99Å |
| 372 | T | 95.4 | Very high | 94.6 | Very high | 79 Ų | 79 | 73.1 Ų | 73.1 | 49% | 0.485 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -65.1 | -38.8 | 176.6 | 56.2 | 0 | 0 | 0 | 0 | 111.6 | S368 D369 Q375 H376 | S368-T372 WeakPolarHBondContact O-CG2 3.3Å; S368-T372 PolarHBondContact O-N 3.21Å; S368-T372 PolarHBondContact O-OG1 3.38Å; D369-T372 WeakPolarHBondContact CA-OG1 3.42Å; D369-T372 PolarHBondContact O-OG1 3.3Å; T372-Q375 PolarHBondContact O-N 3.39Å; T372-H376 PolarHBondContact O-N 2.95Å |
| 373 | S | 96 | Very high | 94.6 | Very high | 66 Ų | 66 | 73.5 Ų | 73.5 | 46% | 0.462 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.3 | -42.5 | 172.7 | 177.5 | 0 | 0 | 0 | 0 | 112.4 | D369 Q370 L371 H376 L377 | D369-S373 WeakPolarHBondContact O-CB 3.3Å; D369-S373 PolarHBondContact O-N 3.49Å; Q370-S373 PolarHBondContact O-N 3Å; L371-S373 VanDerWaalsContact C-N 3.34Å; L371-S373 PolarHBondContact O-N 3.3Å; S373-H376 PolarHBondContact O-N 3.49Å; S373-L377 WeakPolarHBondContact O-CG 3.3Å; S373-L377 PolarHBondContact O-N 2.89Å |
| 374 | I | 95.1 | Very high | 94.3 | Very high | 16 Ų | 16 | 70.8 Ų | 70.8 | 8% | 0.082 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.5 | -40.9 | 176 | -71.9 | 170.2 | 0 | 0 | 0 | 111.1 | L217 K220 E221 L224 Q370 L371 H376 L377 Q378 | L217-I374 HydrophobicContact CB-CG2 4.37Å; L217-I374 HydrophobicContact CD2-CG2 4.43Å; K220-I374 HydrophobicContact CB-CD1 3.85Å; E221-I374 HydrophobicContact CB-CG2 4.25Å; L224-I374 HydrophobicContact CD1-CD1 3.54Å; Q370-I374 WeakPolarHBondContact O-CG1 3.28Å; Q370-I374 PolarHBondContact O-N 2.86Å; L371-I374 PolarHBondContact O-N 3.45Å; I374-H376 VanDerWaalsContact C-N 3.32Å; I374-H376 PolarHBondContact O-N 2.88Å; I374-L377 PolarHBondContact O-N 3.48Å; I374-Q378 HydrophobicContact CG2-CG 4.25Å; I374-Q378 WeakPolarHBondContact O-CB 3.46Å; I374-Q378 VanDerWaalsContact O-CG 3.31Å; I374-Q378 WeakPolarHBondContact O-CG 3.43Å; I374-Q378 PolarHBondContact O-N 3.36Å |
| 375 | Q | 94.2 | Very high | 94.1 | Very high | 87 Ų | 87 | 68.9 Ų | 68.9 | 41% | 0.407 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 176.6 | -75.4 | 172.6 | -10.6 | 0 | 0 | 111.7 | L371 T372 Q378 Q379 | L371-Q375 WeakPolarHBondContact O-CB 3.25Å; L371-Q375 VanDerWaalsContact O-CG 3.26Å; L371-Q375 WeakPolarHBondContact O-CG 3.27Å; L371-Q375 PolarHBondContact O-N 2.99Å; T372-Q375 PolarHBondContact O-N 3.39Å; Q375-Q378 PolarHBondContact O-N 3.46Å; Q375-Q379 VanDerWaalsContact O-CG 3.32Å; Q375-Q379 WeakPolarHBondContact O-CG 3.31Å; Q375-Q379 PolarHBondContact O-N 2.95Å |
| 376 | H | 95.4 | Very high | 93.9 | Very high | 101 Ų | 101 | 69.2 Ų | 69.2 | 47% | 0.468 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -60.7 | -48.7 | 173.2 | -172.5 | -85 | 0 | 0 | 0 | 111.3 | T372 S373 I374 Q378 Q379 E380 | T372-H376 PolarHBondContact O-N 2.95Å; S373-H376 PolarHBondContact O-N 3.49Å; I374-H376 VanDerWaalsContact C-N 3.32Å; I374-H376 PolarHBondContact O-N 2.88Å; H376-Q378 VanDerWaalsContact C-N 3.32Å; H376-Q378 PolarHBondContact O-N 3.06Å; H376-Q379 WeakPolarHBondContact O-CB 3.35Å; H376-Q379 PolarHBondContact O-N 3.26Å; H376-Q379 VanDerWaalsContact O-N 3.12Å; H376-E380 IonicContact CE1-OE1 2.71Å; H376-E380 PolarHBondContact CE1-OE1 3.35Å; H376-E380 IonicContact CE1-OE2 3.64Å; H376-E380 PolarHBondContact CE1-OE2 3.42Å; H376-E380 IonicContact ND1-OE1 3.95Å; H376-E380 IonicContact ND1-OE2 3.92Å; H376-E380 PolarHBondContact ND1-OE2 3.33Å; H376-E380 WeakPolarHBondContact O-CG 3.28Å; H376-E380 PolarHBondContact O-N 2.93Å |
| 377 | L | 94.7 | Very high | 93.8 | Very high | 71 Ų | 71 | 69.6 Ų | 69.6 | 37% | 0.372 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -60.7 | -40.8 | 176.9 | -69.4 | 170.8 | 0 | 0 | 0 | 111.8 | L217 S373 I374 Q379 E380 E381 | L217-L377 HydrophobicContact CD1-CB 4.07Å; L217-L377 HydrophobicContact CD2-CB 4.37Å; L217-L377 HydrophobicContact CD2-CD1 4.29Å; S373-L377 WeakPolarHBondContact O-CG 3.3Å; S373-L377 PolarHBondContact O-N 2.89Å; I374-L377 PolarHBondContact O-N 3.48Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 3.44Å; L377-E380 PolarHBondContact O-N 3.1Å; L377-E381 WeakPolarHBondContact O-CB 3.49Å; L377-E381 VanDerWaalsContact O-CG 3.31Å; L377-E381 WeakPolarHBondContact O-CG 3.37Å; L377-E381 PolarHBondContact O-N 2.95Å |
| 378 | Q | 92.8 | Very high | 93.5 | Very high | 43 Ų | 43 | 70.1 Ų | 70.1 | 20% | 0.201 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -62.2 | -40.3 | 175 | -74.4 | 173.6 | -8.3 | 0 | 0 | 111.7 | L217 E221 I374 Q375 H376 L382 | L217-Q378 HydrophobicContact CB-CG 3.99Å; L217-Q378 HydrophobicContact CD1-CG 4.1Å; E221-Q378 PolarHBondContact OE2-NE2 2.97Å; I374-Q378 HydrophobicContact CG2-CG 4.25Å; I374-Q378 WeakPolarHBondContact O-CB 3.46Å; I374-Q378 VanDerWaalsContact O-CG 3.31Å; I374-Q378 WeakPolarHBondContact O-CG 3.43Å; I374-Q378 PolarHBondContact O-N 3.36Å; Q375-Q378 PolarHBondContact O-N 3.46Å; H376-Q378 VanDerWaalsContact C-N 3.32Å; H376-Q378 PolarHBondContact O-N 3.06Å; Q378-L382 WeakPolarHBondContact O-CB 3.43Å; Q378-L382 WeakPolarHBondContact O-CG 3.46Å; Q378-L382 PolarHBondContact O-N 3.24Å |
| 379 | Q | 93.9 | Very high | 93.4 | Very high | 117 Ų | 117 | 71.3 Ų | 71.3 | 55% | 0.547 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -66.4 | -42.7 | 176.2 | -73.7 | 173.8 | -1.1 | 0 | 0 | 111.9 | Q375 H376 L377 L382 I383 | Q375-Q379 VanDerWaalsContact O-CG 3.32Å; Q375-Q379 WeakPolarHBondContact O-CG 3.31Å; Q375-Q379 PolarHBondContact O-N 2.95Å; H376-Q379 WeakPolarHBondContact O-CB 3.35Å; H376-Q379 PolarHBondContact O-N 3.26Å; H376-Q379 VanDerWaalsContact O-N 3.12Å; L377-Q379 VanDerWaalsContact C-N 3.33Å; L377-Q379 PolarHBondContact O-N 3.44Å; Q379-L382 PolarHBondContact O-N 2.97Å; Q379-I383 VanDerWaalsContact O-CG1 3.26Å; Q379-I383 WeakPolarHBondContact O-CG1 3.41Å; Q379-I383 PolarHBondContact O-N 2.91Å |
| 380 | E | 93.7 | Very high | 93.2 | Very high | 95 Ų | 95 | 72.3 Ų | 72.3 | 44% | 0.444 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -62.8 | -43.7 | 175.2 | -71.5 | 177.3 | 132.6 | 0 | 0 | 111.8 | H376 L377 L382 I383 S384 | H376-E380 IonicContact CE1-OE1 2.71Å; H376-E380 PolarHBondContact CE1-OE1 3.35Å; H376-E380 IonicContact CE1-OE2 3.64Å; H376-E380 PolarHBondContact CE1-OE2 3.42Å; H376-E380 IonicContact ND1-OE1 3.95Å; H376-E380 IonicContact ND1-OE2 3.92Å; H376-E380 PolarHBondContact ND1-OE2 3.33Å; H376-E380 WeakPolarHBondContact O-CG 3.28Å; H376-E380 PolarHBondContact O-N 2.93Å; L377-E380 PolarHBondContact O-N 3.1Å; E380-L382 VanDerWaalsContact C-N 3.35Å; E380-L382 PolarHBondContact O-N 3.49Å; E380-I383 PolarHBondContact O-N 2.95Å; E380-S384 WeakPolarHBondContact O-CB 3.42Å; E380-S384 PolarHBondContact O-N 2.81Å; E380-S384 PolarHBondContact O-OG 3.47Å |
| 381 | E | 90.5 | Very high | 92.9 | Very high | 53 Ų | 53 | 73.5 Ų | 73.5 | 25% | 0.248 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.5 | -73.4 | -55.4 | 139.9 | 0 | 0 | 111 | L217 L377 S384 T385 | L217-E381 HydrophobicContact CD1-CG 4.15Å; L377-E381 WeakPolarHBondContact O-CB 3.49Å; L377-E381 VanDerWaalsContact O-CG 3.31Å; L377-E381 WeakPolarHBondContact O-CG 3.37Å; L377-E381 PolarHBondContact O-N 2.95Å; E381-S384 PolarHBondContact O-N 3.22Å; E381-S384 PolarHBondContact O-OG 3.41Å; E381-T385 WeakPolarHBondContact O-CB 3.47Å; E381-T385 WeakPolarHBondContact O-CG2 3.36Å; E381-T385 PolarHBondContact O-N 2.91Å; E381-T385 PolarHBondContact O-OG1 3.32Å |
| 382 | L | 91.9 | Very high | 92.7 | Very high | 102 Ų | 102 | 73.5 Ų | 73.5 | 53% | 0.534 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -59.8 | -51.5 | 176.2 | -75.7 | 169.6 | 0 | 0 | 0 | 111.7 | Q378 Q379 E380 S384 T385 E386 | Q378-L382 WeakPolarHBondContact O-CB 3.43Å; Q378-L382 WeakPolarHBondContact O-CG 3.46Å; Q378-L382 PolarHBondContact O-N 3.24Å; Q379-L382 PolarHBondContact O-N 2.97Å; E380-L382 VanDerWaalsContact C-N 3.35Å; E380-L382 PolarHBondContact O-N 3.49Å; L382-S384 VanDerWaalsContact C-N 3.32Å; L382-S384 PolarHBondContact O-N 3.12Å; L382-T385 WeakPolarHBondContact CA-OG1 3.44Å; L382-T385 PolarHBondContact O-N 3.32Å; L382-T385 VanDerWaalsContact O-N 3.13Å; L382-T385 PolarHBondContact O-OG1 3.37Å; L382-E386 WeakPolarHBondContact O-CG 3.22Å; L382-E386 PolarHBondContact O-N 3.01Å |
| 383 | I | 94 | Very high | 92.5 | Very high | 90 Ų | 90 | 75.4 Ų | 75.4 | 46% | 0.462 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -57.5 | -47.5 | 178.2 | -67.8 | 163.9 | 0 | 0 | 0 | 110.2 | Q379 E380 T385 E386 E387 | Q379-I383 VanDerWaalsContact O-CG1 3.26Å; Q379-I383 WeakPolarHBondContact O-CG1 3.41Å; Q379-I383 PolarHBondContact O-N 2.91Å; E380-I383 PolarHBondContact O-N 2.95Å; I383-T385 VanDerWaalsContact C-N 3.31Å; I383-T385 PolarHBondContact O-N 3.14Å; I383-E386 PolarHBondContact O-N 3.41Å; I383-E387 HydrophobicContact CG2-CG 4.45Å; I383-E387 WeakPolarHBondContact O-CG 3.39Å; I383-E387 PolarHBondContact O-N 3Å |
| 384 | S | 89.3 | Confident | 92.4 | Very high | 31 Ų | 31 | 75.9 Ų | 75.9 | 22% | 0.217 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -64 | -36.5 | 179.6 | 79.5 | 0 | 0 | 0 | 0 | 112.4 | R210 E380 E381 L382 L388 | R210-S384 PolarHBondContact NH1-O 2.9Å; E380-S384 WeakPolarHBondContact O-CB 3.42Å; E380-S384 PolarHBondContact O-N 2.81Å; E380-S384 PolarHBondContact O-OG 3.47Å; E381-S384 PolarHBondContact O-N 3.22Å; E381-S384 PolarHBondContact O-OG 3.41Å; L382-S384 VanDerWaalsContact C-N 3.32Å; L382-S384 PolarHBondContact O-N 3.12Å; S384-L388 PolarHBondContact O-N 3.36Å |
| 385 | T | 90.4 | Very high | 92.1 | Very high | 30 Ų | 30 | 77.1 Ų | 77.1 | 18% | 0.184 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -67 | -40.8 | 174.7 | 59.2 | 0 | 0 | 0 | 0 | 111.9 | R210 E381 L382 I383 L388 L389 | R210-T385 HydrophobicContact CB-CG2 3.87Å; R210-T385 HydrophobicContact CG-CG2 4.34Å; E381-T385 WeakPolarHBondContact O-CB 3.47Å; E381-T385 WeakPolarHBondContact O-CG2 3.36Å; E381-T385 PolarHBondContact O-N 2.91Å; E381-T385 PolarHBondContact O-OG1 3.32Å; L382-T385 WeakPolarHBondContact CA-OG1 3.44Å; L382-T385 PolarHBondContact O-N 3.32Å; L382-T385 VanDerWaalsContact O-N 3.13Å; L382-T385 PolarHBondContact O-OG1 3.37Å; I383-T385 VanDerWaalsContact C-N 3.31Å; I383-T385 PolarHBondContact O-N 3.14Å; T385-L388 PolarHBondContact O-N 3.16Å; T385-L389 WeakPolarHBondContact O-CB 3.2Å; T385-L389 VanDerWaalsContact O-CG 3.28Å; T385-L389 WeakPolarHBondContact O-CG 3.19Å; T385-L389 PolarHBondContact O-N 2.9Å |
| 386 | E | 91.8 | Very high | 91.9 | Very high | 114 Ų | 114 | 75.7 Ų | 75.7 | 53% | 0.533 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -62.8 | -47.2 | 174.8 | -72.7 | 175.3 | 172 | 0 | 0 | 110.5 | L382 I383 L388 L389 E390 | L382-E386 WeakPolarHBondContact O-CG 3.22Å; L382-E386 PolarHBondContact O-N 3.01Å; I383-E386 PolarHBondContact O-N 3.41Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.48Å; E386-L389 PolarHBondContact O-N 2.84Å; E386-L389 VanDerWaalsContact O-N 3.11Å; E386-E390 WeakPolarHBondContact O-CG 3.41Å; E386-E390 PolarHBondContact O-N 2.9Å |
| 387 | E | 92.7 | Very high | 91.8 | Very high | 105 Ų | 105 | 74.8 Ų | 74.8 | 49% | 0.491 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -58.3 | -40.4 | 175.5 | -72.7 | 177.4 | 176.1 | 0 | 0 | 112.6 | I383 Q391 | I383-E387 HydrophobicContact CG2-CG 4.45Å; I383-E387 WeakPolarHBondContact O-CG 3.39Å; I383-E387 PolarHBondContact O-N 3Å; E387-Q391 WeakPolarHBondContact O-CB 3.49Å; E387-Q391 VanDerWaalsContact O-CG 3.22Å; E387-Q391 WeakPolarHBondContact O-CG 3.35Å; E387-Q391 PolarHBondContact O-N 3.41Å |
| 388 | L | 90 | Very high | 91.7 | Very high | 11 Ų | 11 | 75.9 Ų | 75.9 | 6% | 0.058 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -67.8 | -40.2 | 176.7 | 179.5 | 64.9 | 0 | 0 | 0 | 111.6 | E206 L207 R210 S384 T385 E386 Q391 I392 | E206-L388 HydrophobicContact CB-CD2 4.33Å; E206-L388 HydrophobicContact CG-CD2 3.88Å; L207-L388 HydrophobicContact CD2-CD2 3.81Å; L207-L388 HydrophobicContact CG-CD2 4.07Å; R210-L388 VanDerWaalsContact NH1-CB 3.3Å; S384-L388 PolarHBondContact O-N 3.36Å; T385-L388 PolarHBondContact O-N 3.16Å; E386-L388 VanDerWaalsContact C-N 3.3Å; E386-L388 PolarHBondContact O-N 3.48Å; L388-Q391 PolarHBondContact O-N 3.42Å; L388-I392 HydrophobicContact CG-CD1 4.18Å; L388-I392 WeakPolarHBondContact O-CD1 3.33Å; L388-I392 VanDerWaalsContact O-CG1 3.29Å; L388-I392 WeakPolarHBondContact O-CG1 3.27Å; L388-I392 PolarHBondContact O-N 3.38Å |
| 389 | L | 91.4 | Very high | 91.6 | Very high | 76 Ų | 76 | 76.4 Ų | 76.4 | 40% | 0.398 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.7 | -43.2 | 176 | -72.1 | 172.3 | 0 | 0 | 0 | 111.1 | L207 T385 E386 Q391 I392 E393 | L207-L389 HydrophobicContact CD1-CD2 4.3Å; L207-L389 HydrophobicContact CD2-CD2 4.2Å; L207-L389 HydrophobicContact CD2-CG 4.48Å; T385-L389 WeakPolarHBondContact O-CB 3.2Å; T385-L389 VanDerWaalsContact O-CG 3.28Å; T385-L389 WeakPolarHBondContact O-CG 3.19Å; T385-L389 PolarHBondContact O-N 2.9Å; E386-L389 PolarHBondContact O-N 2.84Å; E386-L389 VanDerWaalsContact O-N 3.11Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 2.94Å; L389-I392 HydrophobicContact CD2-CD1 4.49Å; L389-I392 WeakPolarHBondContact O-CB 3.34Å; L389-I392 PolarHBondContact O-N 3.36Å; L389-I392 VanDerWaalsContact O-N 3.13Å; L389-E393 WeakPolarHBondContact O-CB 3.48Å; L389-E393 WeakPolarHBondContact O-CG 3.48Å; L389-E393 PolarHBondContact O-N 3.4Å |
| 390 | E | 92.7 | Very high | 91.4 | Very high | 124 Ų | 124 | 77.2 Ų | 77.2 | 58% | 0.579 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -59.7 | -41.2 | 173.7 | -73.2 | -175.9 | 175.1 | 0 | 0 | 111.7 | E386 I392 E393 T394 | E386-E390 WeakPolarHBondContact O-CG 3.41Å; E386-E390 PolarHBondContact O-N 2.9Å; E390-I392 PolarHBondContact O-N 2.87Å; E390-E393 PolarHBondContact O-N 3.28Å; E390-T394 WeakPolarHBondContact O-CB 3.31Å; E390-T394 VanDerWaalsContact O-CG2 3.23Å; E390-T394 WeakPolarHBondContact O-CG2 3.49Å; E390-T394 PolarHBondContact O-N 2.87Å; E390-T394 PolarHBondContact O-OG1 3.24Å |
| 391 | Q | 90.6 | Very high | 91.4 | Very high | 111 Ų | 111 | 79.1 Ų | 79.1 | 52% | 0.519 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 174 | -74 | 170.9 | 35.3 | 0 | 0 | 112.3 | E387 L388 L389 T394 M395 | E387-Q391 WeakPolarHBondContact O-CB 3.49Å; E387-Q391 VanDerWaalsContact O-CG 3.22Å; E387-Q391 WeakPolarHBondContact O-CG 3.35Å; E387-Q391 PolarHBondContact O-N 3.41Å; L388-Q391 PolarHBondContact O-N 3.42Å; L389-Q391 VanDerWaalsContact C-N 3.32Å; L389-Q391 PolarHBondContact O-N 2.94Å; Q391-T394 WeakPolarHBondContact CA-OG1 3.39Å; Q391-T394 PolarHBondContact O-OG1 3.31Å; Q391-M395 WeakPolarHBondContact O-CB 3.23Å; Q391-M395 PolarHBondContact O-N 3.18Å |
| 392 | I | 89.4 | Confident | 91.4 | Very high | 22 Ų | 22 | 81.1 Ų | 81.1 | 11% | 0.113 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.3 | -46.6 | 175.4 | -70.3 | 161.6 | 0 | 0 | 0 | 110.7 | Q203 L207 L388 L389 E390 M395 N396 | Q203-I392 HydrophobicContact CB-CD1 4.28Å; Q203-I392 VanDerWaalsContact CD-CG1 3.5Å; Q203-I392 HydrophobicContact CG-CD1 4.45Å; Q203-I392 HydrophobicContact CG-CG1 4.48Å; L207-I392 HydrophobicContact CD1-CD1 4.21Å; L388-I392 HydrophobicContact CG-CD1 4.18Å; L388-I392 WeakPolarHBondContact O-CD1 3.33Å; L388-I392 VanDerWaalsContact O-CG1 3.29Å; L388-I392 WeakPolarHBondContact O-CG1 3.27Å; L388-I392 PolarHBondContact O-N 3.38Å; L389-I392 HydrophobicContact CD2-CD1 4.49Å; L389-I392 WeakPolarHBondContact O-CB 3.34Å; L389-I392 PolarHBondContact O-N 3.36Å; L389-I392 VanDerWaalsContact O-N 3.13Å; E390-I392 PolarHBondContact O-N 2.87Å; I392-M395 PolarHBondContact O-N 3.41Å; I392-N396 WeakPolarHBondContact CG2-ND2 3.4Å; I392-N396 WeakPolarHBondContact O-CB 3.46Å; I392-N396 PolarHBondContact O-N 2.98Å; I392-N396 PolarHBondContact O-ND2 3.44Å |
| 393 | E | 91.2 | Very high | 91.2 | Very high | 119 Ų | 119 | 82.5 Ų | 82.5 | 56% | 0.556 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -65.3 | -46.5 | -178.6 | -73.9 | -177.3 | 178.5 | 0 | 0 | 111.8 | L389 E390 M395 N396 I397 | L389-E393 WeakPolarHBondContact O-CB 3.48Å; L389-E393 WeakPolarHBondContact O-CG 3.48Å; L389-E393 PolarHBondContact O-N 3.4Å; E390-E393 PolarHBondContact O-N 3.28Å; E393-M395 PolarHBondContact O-N 2.85Å; E393-N396 PolarHBondContact O-N 3.29Å; E393-I397 WeakPolarHBondContact O-CB 3.35Å; E393-I397 WeakPolarHBondContact O-CG1 3.46Å; E393-I397 PolarHBondContact O-N 3.24Å |
| 394 | T | 93.8 | Very high | 91.3 | Very high | 75 Ų | 75 | 83.5 Ų | 83.5 | 46% | 0.46 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -61.1 | -42.7 | 176.2 | 51.9 | 0 | 0 | 0 | 0 | 111.7 | E390 Q391 I397 N398 | E390-T394 WeakPolarHBondContact O-CB 3.31Å; E390-T394 VanDerWaalsContact O-CG2 3.23Å; E390-T394 WeakPolarHBondContact O-CG2 3.49Å; E390-T394 PolarHBondContact O-N 2.87Å; E390-T394 PolarHBondContact O-OG1 3.24Å; Q391-T394 WeakPolarHBondContact CA-OG1 3.39Å; Q391-T394 PolarHBondContact O-OG1 3.31Å; T394-I397 PolarHBondContact O-N 3.45Å; T394-N398 WeakPolarHBondContact O-CB 3.41Å; T394-N398 PolarHBondContact O-N 3.25Å; T394-N398 PolarHBondContact O-ND2 3Å |
| 395 | M | 89.8 | Confident | 91.5 | Very high | 42 Ų | 42 | 88.4 Ų | 88.4 | 21% | 0.207 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -62 | -44.9 | 174.2 | -167.7 | -167.2 | 73.4 | 0 | 0 | 111.5 | Y199 Q391 I392 E393 I397 N398 N399 | Y199-M395 HydrophobicContact CD1-CE 3.89Å; Y199-M395 HydrophobicContact CD1-SD 4.22Å; Y199-M395 HydrophobicContact CE1-CE 3.28Å; Y199-M395 HydrophobicContact CE1-SD 3.39Å; Y199-M395 WeakPolarHBondContact CE1-SD 3.19Å; Y199-M395 VanDerWaalsContact CZ-SD 3.59Å; Y199-M395 PolarHBondContact OH-SD 3.42Å; Q391-M395 WeakPolarHBondContact O-CB 3.23Å; Q391-M395 PolarHBondContact O-N 3.18Å; I392-M395 PolarHBondContact O-N 3.41Å; E393-M395 PolarHBondContact O-N 2.85Å; M395-I397 PolarHBondContact O-N 3.44Å; M395-N398 PolarHBondContact O-N 3.49Å; M395-N399 WeakPolarHBondContact O-CB 3.33Å; M395-N399 PolarHBondContact O-N 2.97Å; M395-N399 PolarHBondContact O-ND2 2.95Å |
| 396 | N | 89.6 | Confident | 91.5 | Very high | 58 Ų | 58 | 93.9 Ų | 93.9 | 31% | 0.31 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -63.9 | -39.8 | 178.3 | -75.5 | -26.5 | 0 | 0 | 0 | 112.5 | I392 E393 K400 | I392-N396 WeakPolarHBondContact CG2-ND2 3.4Å; I392-N396 WeakPolarHBondContact O-CB 3.46Å; I392-N396 PolarHBondContact O-N 2.98Å; I392-N396 PolarHBondContact O-ND2 3.44Å; E393-N396 PolarHBondContact O-N 3.29Å; N396-K400 WeakPolarHBondContact O-CG 3.47Å; N396-K400 PolarHBondContact O-N 3.33Å |
| 397 | I | 93.6 | Very high | 91.6 | Very high | 82 Ų | 82 | 94 Ų | 94 | 42% | 0.421 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -64.8 | -46.9 | 175.7 | -71.8 | 166.6 | 0 | 0 | 0 | 110 | E393 T394 M395 N399 K400 F401 | E393-I397 WeakPolarHBondContact O-CB 3.35Å; E393-I397 WeakPolarHBondContact O-CG1 3.46Å; E393-I397 PolarHBondContact O-N 3.24Å; T394-I397 PolarHBondContact O-N 3.45Å; M395-I397 PolarHBondContact O-N 3.44Å; I397-N399 VanDerWaalsContact C-N 3.35Å; I397-N399 PolarHBondContact O-N 2.95Å; I397-K400 PolarHBondContact O-N 3.14Å; I397-F401 HydrophobicContact CG2-CD2 3.51Å; I397-F401 HydrophobicContact CG2-CE2 3.27Å; I397-F401 HydrophobicContact CG2-CZ 4.44Å; I397-F401 WeakPolarHBondContact O-CD2 3.36Å; I397-F401 PolarHBondContact O-N 3.09Å |
| 398 | N | 93.2 | Very high | 91.7 | Very high | 94 Ų | 94 | 94.1 Ų | 94.1 | 50% | 0.503 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 176.9 | -72.1 | -21.7 | 0 | 0 | 0 | 111.6 | T394 M395 K400 F401 E402 | T394-N398 WeakPolarHBondContact O-CB 3.41Å; T394-N398 PolarHBondContact O-N 3.25Å; T394-N398 PolarHBondContact O-ND2 3Å; M395-N398 PolarHBondContact O-N 3.49Å; N398-K400 PolarHBondContact O-N 3.45Å; N398-F401 PolarHBondContact O-N 3.49Å; N398-E402 WeakPolarHBondContact O-CG 3.45Å; N398-E402 PolarHBondContact O-N 3.32Å |
| 399 | N | 89.5 | Confident | 92 | Very high | 53 Ų | 53 | 97.5 Ų | 97.5 | 28% | 0.283 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -58.8 | -45.6 | 175.9 | -71.3 | -15.4 | 0 | 0 | 0 | 111.6 | M395 I397 F401 E402 E403 | M395-N399 WeakPolarHBondContact O-CB 3.33Å; M395-N399 PolarHBondContact O-N 2.97Å; M395-N399 PolarHBondContact O-ND2 2.95Å; I397-N399 VanDerWaalsContact C-N 3.35Å; I397-N399 PolarHBondContact O-N 2.95Å; N399-F401 PolarHBondContact O-N 3.15Å; N399-E402 PolarHBondContact O-N 3.1Å; N399-E403 WeakPolarHBondContact O-CG 3.26Å; N399-E403 PolarHBondContact O-N 3.26Å |
| 400 | K | 90 | Very high | 92.1 | Very high | 134 Ų | 134 | 98.6 Ų | 98.6 | 58% | 0.583 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -62.4 | -42 | 175.9 | -73.2 | 173.6 | -177.9 | 177.1 | 0 | 112.4 | N396 I397 N398 E402 E403 I404 | N396-K400 WeakPolarHBondContact O-CG 3.47Å; N396-K400 PolarHBondContact O-N 3.33Å; I397-K400 PolarHBondContact O-N 3.14Å; N398-K400 PolarHBondContact O-N 3.45Å; K400-E402 VanDerWaalsContact C-N 3.35Å; K400-E403 PolarHBondContact O-N 3.32Å; K400-I404 VanDerWaalsContact O-CG1 3.27Å; K400-I404 WeakPolarHBondContact O-CG1 3.4Å; K400-I404 PolarHBondContact O-N 3.25Å |
| 401 | F | 93.3 | Very high | 92.2 | Very high | 135 Ų | 135 | 96.4 Ų | 96.4 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -64.1 | -40.9 | 176.3 | -80.8 | -59.3 | 0 | 0 | 0 | 112 | I397 N398 N399 I404 K405 | I397-F401 HydrophobicContact CG2-CD2 3.51Å; I397-F401 HydrophobicContact CG2-CE2 3.27Å; I397-F401 HydrophobicContact CG2-CZ 4.44Å; I397-F401 WeakPolarHBondContact O-CD2 3.36Å; I397-F401 PolarHBondContact O-N 3.09Å; N398-F401 PolarHBondContact O-N 3.49Å; N399-F401 PolarHBondContact O-N 3.15Å; F401-I404 PolarHBondContact O-N 3.28Å; F401-K405 WeakPolarHBondContact O-CB 3.47Å; F401-K405 PolarHBondContact O-N 3.21Å |
| 402 | E | 90.7 | Very high | 92.4 | Very high | 96 Ų | 96 | 95.9 Ų | 95.9 | 45% | 0.449 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 174 | -74.8 | -166.9 | -172.1 | 0 | 0 | 112.2 | N398 N399 K400 K405 R406 | N398-E402 WeakPolarHBondContact O-CG 3.45Å; N398-E402 PolarHBondContact O-N 3.32Å; N399-E402 PolarHBondContact O-N 3.1Å; K400-E402 VanDerWaalsContact C-N 3.35Å; E402-K405 PolarHBondContact O-N 2.92Å; E402-R406 WeakPolarHBondContact O-CB 3.45Å; E402-R406 VanDerWaalsContact O-CG 3.26Å; E402-R406 WeakPolarHBondContact O-CG 3.27Å; E402-R406 PolarHBondContact O-N 3.44Å; E402-R406 IonicContact OE2-CZ 3.78Å; E402-R406 IonicContact OE2-NH2 2.72Å; E402-R406 PolarHBondContact OE2-NH2 3.23Å |
| 403 | E | 88.7 | Confident | 92.6 | Very high | 130 Ų | 130 | 100.5 Ų | 100.5 | 61% | 0.607 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.1 | -47.1 | 175.5 | -76.1 | 176.5 | 174.7 | 0 | 0 | 111.7 | N399 K400 K405 R406 H407 | N399-E403 WeakPolarHBondContact O-CG 3.26Å; N399-E403 PolarHBondContact O-N 3.26Å; K400-E403 PolarHBondContact O-N 3.32Å; E403-K405 VanDerWaalsContact C-N 3.33Å; E403-K405 PolarHBondContact O-N 3.49Å; E403-R406 PolarHBondContact O-N 3.34Å; E403-H407 VanDerWaalsContact O-CB 3.26Å; E403-H407 WeakPolarHBondContact O-CB 3.44Å; E403-H407 PolarHBondContact O-N 3.03Å |
| 404 | I | 94.7 | Very high | 92.8 | Very high | 111 Ų | 111 | 98 Ų | 98 | 57% | 0.569 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -61.1 | -43.9 | 176.8 | -68.7 | 165.9 | 0 | 0 | 0 | 110.5 | K400 F401 H407 H408 | K400-I404 VanDerWaalsContact O-CG1 3.27Å; K400-I404 WeakPolarHBondContact O-CG1 3.4Å; K400-I404 PolarHBondContact O-N 3.25Å; F401-I404 PolarHBondContact O-N 3.28Å; I404-H407 PolarHBondContact O-N 3.49Å; I404-H408 WeakPolarHBondContact O-CB 3.19Å; I404-H408 PolarHBondContact O-N 3.08Å |
| 405 | K | 94.1 | Very high | 92.8 | Very high | 135 Ų | 135 | 97.8 Ų | 97.8 | 59% | 0.587 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -63.1 | -46.5 | 178.3 | -174.7 | -179.6 | 179 | -177.4 | 0 | 111.7 | F401 E402 E403 H407 H408 Q409 | F401-K405 WeakPolarHBondContact O-CB 3.47Å; F401-K405 PolarHBondContact O-N 3.21Å; E402-K405 PolarHBondContact O-N 2.92Å; E403-K405 VanDerWaalsContact C-N 3.33Å; E403-K405 PolarHBondContact O-N 3.49Å; K405-H407 VanDerWaalsContact C-N 3.33Å; K405-H407 PolarHBondContact O-N 2.96Å; K405-H408 PolarHBondContact O-N 3.39Å; K405-Q409 VanDerWaalsContact O-CG 3.3Å; K405-Q409 WeakPolarHBondContact O-CG 3.41Å; K405-Q409 PolarHBondContact O-N 2.88Å |
| 406 | R | 91.8 | Very high | 93 | Very high | 144 Ų | 144 | 100.5 Ų | 100.5 | 54% | 0.543 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -42.5 | 176 | -70.8 | 177.3 | -156.5 | -170.9 | 9 | 111 | E402 E403 Q409 N410 | E402-R406 WeakPolarHBondContact O-CB 3.45Å; E402-R406 VanDerWaalsContact O-CG 3.26Å; E402-R406 WeakPolarHBondContact O-CG 3.27Å; E402-R406 PolarHBondContact O-N 3.44Å; E402-R406 IonicContact OE2-CZ 3.78Å; E402-R406 IonicContact OE2-NH2 2.72Å; E402-R406 PolarHBondContact OE2-NH2 3.23Å; E403-R406 PolarHBondContact O-N 3.34Å; R406-Q409 PolarHBondContact O-N 3.46Å; R406-N410 WeakPolarHBondContact O-CB 3.49Å; R406-N410 PolarHBondContact O-N 3.05Å; R406-N410 PolarHBondContact O-ND2 2.85Å; R406-N410 PolarHBondContact O-OD1 3.49Å |
| 407 | H | 93.6 | Very high | 93.3 | Very high | 118 Ų | 118 | 102.7 Ų | 102.7 | 55% | 0.546 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.1 | -43.7 | 177 | -178.5 | -92.9 | 0 | 0 | 0 | 112.1 | E403 I404 K405 N410 I411 | E403-H407 VanDerWaalsContact O-CB 3.26Å; E403-H407 WeakPolarHBondContact O-CB 3.44Å; E403-H407 PolarHBondContact O-N 3.03Å; I404-H407 PolarHBondContact O-N 3.49Å; K405-H407 VanDerWaalsContact C-N 3.33Å; K405-H407 PolarHBondContact O-N 2.96Å; H407-N410 PolarHBondContact O-N 3.12Å; H407-I411 WeakPolarHBondContact CE1-CD1 3.44Å; H407-I411 WeakPolarHBondContact O-CG1 3.47Å; H407-I411 PolarHBondContact O-N 3.08Å |
| 408 | H | 94.9 | Very high | 93.3 | Very high | 107 Ų | 107 | 101.9 Ų | 101.9 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.2 | -46.4 | 176.1 | -168.6 | 57.8 | 0 | 0 | 0 | 111.7 | I404 K405 N410 I411 E412 | I404-H408 WeakPolarHBondContact O-CB 3.19Å; I404-H408 PolarHBondContact O-N 3.08Å; K405-H408 PolarHBondContact O-N 3.39Å; H408-N410 VanDerWaalsContact C-N 3.31Å; H408-N410 PolarHBondContact O-N 3.3Å; H408-I411 PolarHBondContact O-N 3.22Å; H408-I411 VanDerWaalsContact O-N 3.15Å; H408-E412 IonicContact CD2-OE1 3.96Å; H408-E412 IonicContact CE1-OE1 3.52Å; H408-E412 IonicContact NE2-OE1 2.76Å; H408-E412 PolarHBondContact NE2-OE1 2.92Å; H408-E412 WeakPolarHBondContact O-CG 3.39Å; H408-E412 PolarHBondContact O-N 3.01Å |
| 409 | Q | 94.8 | Very high | 93.4 | Very high | 82 Ų | 82 | 101.3 Ų | 101.3 | 38% | 0.383 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.5 | -41 | 175.2 | -72.3 | 175.5 | -20.3 | 0 | 0 | 112.2 | K405 R406 E412 Q413 | K405-Q409 VanDerWaalsContact O-CG 3.3Å; K405-Q409 WeakPolarHBondContact O-CG 3.41Å; K405-Q409 PolarHBondContact O-N 2.88Å; R406-Q409 PolarHBondContact O-N 3.46Å; Q409-E412 PolarHBondContact O-N 3.45Å; Q409-Q413 WeakPolarHBondContact O-CB 3.47Å; Q409-Q413 VanDerWaalsContact O-CG 3.23Å; Q409-Q413 WeakPolarHBondContact O-CG 3.38Å; Q409-Q413 PolarHBondContact O-N 2.98Å |
| 410 | N | 95 | Very high | 93.7 | Very high | 99 Ų | 99 | 102.4 Ų | 102.4 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.7 | -39.6 | 176.2 | -70.6 | -14.5 | 0 | 0 | 0 | 111.9 | R406 H407 H408 S414 | R406-N410 WeakPolarHBondContact O-CB 3.49Å; R406-N410 PolarHBondContact O-N 3.05Å; R406-N410 PolarHBondContact O-ND2 2.85Å; R406-N410 PolarHBondContact O-OD1 3.49Å; H407-N410 PolarHBondContact O-N 3.12Å; H408-N410 VanDerWaalsContact C-N 3.31Å; H408-N410 PolarHBondContact O-N 3.3Å; N410-S414 VanDerWaalsContact O-CB 3.24Å; N410-S414 WeakPolarHBondContact O-CB 3.28Å; N410-S414 PolarHBondContact O-N 3.27Å |
| 411 | I | 94.9 | Very high | 93.9 | Very high | 78 Ų | 78 | 101 Ų | 101 | 40% | 0.4 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.9 | -49.8 | 174.1 | -72.1 | 174.3 | 0 | 0 | 0 | 110.2 | H407 H408 Q413 S414 T415 | H407-I411 WeakPolarHBondContact CE1-CD1 3.44Å; H407-I411 WeakPolarHBondContact O-CG1 3.47Å; H407-I411 PolarHBondContact O-N 3.08Å; H408-I411 PolarHBondContact O-N 3.22Å; H408-I411 VanDerWaalsContact O-N 3.15Å; I411-Q413 VanDerWaalsContact C-N 3.33Å; I411-Q413 PolarHBondContact O-N 3.11Å; I411-S414 PolarHBondContact O-N 3.05Å; I411-S414 VanDerWaalsContact O-N 3.12Å; I411-T415 HydrophobicContact CG2-CG2 4.15Å; I411-T415 WeakPolarHBondContact O-CG2 3.29Å; I411-T415 PolarHBondContact O-N 3.43Å; I411-T415 PolarHBondContact O-OG1 3.32Å |
| 412 | E | 93.9 | Very high | 94 | Very high | 99 Ų | 99 | 97.9 Ų | 97.9 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -55.3 | -49.5 | 178.5 | -72.3 | 178.4 | 154.9 | 0 | 0 | 110.8 | H408 Q409 S414 T415 E416 | H408-E412 IonicContact CD2-OE1 3.96Å; H408-E412 IonicContact CE1-OE1 3.52Å; H408-E412 IonicContact NE2-OE1 2.76Å; H408-E412 PolarHBondContact NE2-OE1 2.92Å; H408-E412 WeakPolarHBondContact O-CG 3.39Å; H408-E412 PolarHBondContact O-N 3.01Å; Q409-E412 PolarHBondContact O-N 3.45Å; E412-S414 PolarHBondContact O-N 3.44Å; E412-T415 WeakPolarHBondContact CA-OG1 3.42Å; E412-T415 PolarHBondContact O-N 3.08Å; E412-T415 PolarHBondContact O-OG1 3Å; E412-E416 WeakPolarHBondContact O-CB 3.48Å; E412-E416 PolarHBondContact O-N 3.37Å |
| 413 | Q | 94.3 | Very high | 94.1 | Very high | 120 Ų | 120 | 99.2 Ų | 99.2 | 56% | 0.561 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.1 | -42.6 | 176 | -72.4 | 175.9 | 3.3 | 0 | 0 | 112.5 | Q409 I411 E416 L417 | Q409-Q413 WeakPolarHBondContact O-CB 3.47Å; Q409-Q413 VanDerWaalsContact O-CG 3.23Å; Q409-Q413 WeakPolarHBondContact O-CG 3.38Å; Q409-Q413 PolarHBondContact O-N 2.98Å; I411-Q413 VanDerWaalsContact C-N 3.33Å; I411-Q413 PolarHBondContact O-N 3.11Å; Q413-E416 PolarHBondContact O-N 3.47Å; Q413-L417 WeakPolarHBondContact O-CB 3.32Å; Q413-L417 VanDerWaalsContact O-CG 3.29Å; Q413-L417 WeakPolarHBondContact O-CG 3.42Å; Q413-L417 PolarHBondContact O-N 3.01Å |
| 414 | S | 94 | Very high | 94.4 | Very high | 67 Ų | 67 | 99.5 Ų | 99.5 | 47% | 0.469 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.7 | -42.4 | 177.4 | 179.5 | 0 | 0 | 0 | 0 | 112.1 | N410 I411 E412 T418 | N410-S414 VanDerWaalsContact O-CB 3.24Å; N410-S414 WeakPolarHBondContact O-CB 3.28Å; N410-S414 PolarHBondContact O-N 3.27Å; I411-S414 PolarHBondContact O-N 3.05Å; I411-S414 VanDerWaalsContact O-N 3.12Å; E412-S414 PolarHBondContact O-N 3.44Å; S414-T418 VanDerWaalsContact O-CB 3.32Å; S414-T418 WeakPolarHBondContact O-CB 3.41Å; S414-T418 PolarHBondContact O-N 3.26Å; S414-T418 PolarHBondContact O-OG1 3.45Å |
| 415 | T | 93.5 | Very high | 94.3 | Very high | 70 Ų | 70 | 97.1 Ų | 97.1 | 43% | 0.429 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -66.1 | -41.3 | 177.2 | 57.3 | 0 | 0 | 0 | 0 | 111.7 | I411 E412 T418 N419 | I411-T415 HydrophobicContact CG2-CG2 4.15Å; I411-T415 WeakPolarHBondContact O-CG2 3.29Å; I411-T415 PolarHBondContact O-N 3.43Å; I411-T415 PolarHBondContact O-OG1 3.32Å; E412-T415 WeakPolarHBondContact CA-OG1 3.42Å; E412-T415 PolarHBondContact O-N 3.08Å; E412-T415 PolarHBondContact O-OG1 3Å; T415-T418 PolarHBondContact O-N 2.97Å; T415-N419 WeakPolarHBondContact O-CB 3.26Å; T415-N419 PolarHBondContact O-N 2.87Å; T415-N419 PolarHBondContact O-ND2 3.08Å |
| 416 | E | 95.2 | Very high | 94.3 | Very high | 99 Ų | 99 | 96.7 Ų | 96.7 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -62.1 | -48.7 | 176.6 | -179.7 | 54.6 | -147.9 | 0 | 0 | 111.2 | E412 Q413 T418 N419 Q420 | E412-E416 WeakPolarHBondContact O-CB 3.48Å; E412-E416 PolarHBondContact O-N 3.37Å; Q413-E416 PolarHBondContact O-N 3.47Å; E416-T418 VanDerWaalsContact C-N 3.31Å; E416-T418 PolarHBondContact O-N 3.47Å; E416-N419 PolarHBondContact O-N 3.19Å; E416-Q420 WeakPolarHBondContact O-CG 3.41Å; E416-Q420 PolarHBondContact O-N 3.22Å; E416-Q420 PolarHBondContact OE1-NE2 3.05Å |
| 417 | L | 95 | Very high | 94.5 | Very high | 103 Ų | 103 | 95.3 Ų | 95.3 | 54% | 0.539 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.4 | -40.6 | 175.3 | -71.6 | 172.6 | 0 | 0 | 0 | 112.1 | Q413 Q420 I421 | Q413-L417 WeakPolarHBondContact O-CB 3.32Å; Q413-L417 VanDerWaalsContact O-CG 3.29Å; Q413-L417 WeakPolarHBondContact O-CG 3.42Å; Q413-L417 PolarHBondContact O-N 3.01Å; L417-Q420 PolarHBondContact O-N 3.44Å; L417-I421 VanDerWaalsContact O-CG1 3.25Å; L417-I421 WeakPolarHBondContact O-CG1 3.5Å; L417-I421 PolarHBondContact O-N 2.93Å |
| 418 | T | 95.2 | Very high | 94.5 | Very high | 66 Ų | 66 | 94.5 Ų | 94.5 | 41% | 0.405 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.3 | -43.7 | 177.4 | -58.9 | 0 | 0 | 0 | 0 | 111 | S414 T415 E416 I421 I422 | S414-T418 VanDerWaalsContact O-CB 3.32Å; S414-T418 WeakPolarHBondContact O-CB 3.41Å; S414-T418 PolarHBondContact O-N 3.26Å; S414-T418 PolarHBondContact O-OG1 3.45Å; T415-T418 PolarHBondContact O-N 2.97Å; E416-T418 VanDerWaalsContact C-N 3.31Å; E416-T418 PolarHBondContact O-N 3.47Å; T418-I421 PolarHBondContact O-N 3.31Å; T418-I422 HydrophobicContact CG2-CD1 3.9Å; T418-I422 VanDerWaalsContact O-CG1 3.26Å; T418-I422 WeakPolarHBondContact O-CG1 3.44Å; T418-I422 PolarHBondContact O-N 3.1Å |
| 419 | N | 94.8 | Very high | 94.4 | Very high | 82 Ų | 82 | 95.1 Ų | 95.1 | 44% | 0.439 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.5 | -45.5 | 175.5 | -70.4 | -22.4 | 0 | 0 | 0 | 111.3 | T415 E416 I421 I422 E423 | T415-N419 WeakPolarHBondContact O-CB 3.26Å; T415-N419 PolarHBondContact O-N 2.87Å; T415-N419 PolarHBondContact O-ND2 3.08Å; E416-N419 PolarHBondContact O-N 3.19Å; N419-I421 VanDerWaalsContact C-N 3.31Å; N419-I421 PolarHBondContact O-N 3.05Å; N419-I422 PolarHBondContact O-N 3.38Å; N419-I422 VanDerWaalsContact O-N 3.14Å; N419-E423 WeakPolarHBondContact O-CG 3.31Å; N419-E423 PolarHBondContact O-N 3.34Å |
| 420 | Q | 95.1 | Very high | 94.3 | Very high | 76 Ų | 76 | 96.2 Ų | 96.2 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -60.6 | -39 | 176 | -70.5 | 176.3 | 21.1 | 0 | 0 | 112.5 | E416 L417 E423 K424 | E416-Q420 WeakPolarHBondContact O-CG 3.41Å; E416-Q420 PolarHBondContact O-N 3.22Å; E416-Q420 PolarHBondContact OE1-NE2 3.05Å; L417-Q420 PolarHBondContact O-N 3.44Å; Q420-E423 PolarHBondContact O-N 3.4Å; Q420-K424 WeakPolarHBondContact O-CB 3.49Å; Q420-K424 WeakPolarHBondContact O-CG 3.44Å; Q420-K424 PolarHBondContact O-N 3.31Å |
| 421 | I | 94.2 | Very high | 94.2 | Very high | 104 Ų | 104 | 93.7 Ų | 93.7 | 53% | 0.533 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.6 | -44.4 | 174.5 | -68.9 | 164.7 | 0 | 0 | 0 | 110.4 | L417 T418 N419 E423 K424 T425 | L417-I421 VanDerWaalsContact O-CG1 3.25Å; L417-I421 WeakPolarHBondContact O-CG1 3.5Å; L417-I421 PolarHBondContact O-N 2.93Å; T418-I421 PolarHBondContact O-N 3.31Å; N419-I421 VanDerWaalsContact C-N 3.31Å; N419-I421 PolarHBondContact O-N 3.05Å; I421-E423 VanDerWaalsContact C-N 3.33Å; I421-E423 PolarHBondContact O-N 3.23Å; I421-K424 PolarHBondContact O-N 2.92Å; I421-T425 HydrophobicContact CG2-CG2 4.19Å; I421-T425 WeakPolarHBondContact O-CB 3.39Å; I421-T425 WeakPolarHBondContact O-CG2 3.32Å; I421-T425 PolarHBondContact O-N 2.92Å; I421-T425 PolarHBondContact O-OG1 3.17Å |
| 422 | I | 94.5 | Very high | 94.1 | Very high | 69 Ų | 69 | 96.5 Ų | 96.5 | 35% | 0.354 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62 | -41.2 | 177.7 | -69.1 | 165.1 | 0 | 0 | 0 | 111.1 | T418 N419 T425 K426 | T418-I422 HydrophobicContact CG2-CD1 3.9Å; T418-I422 VanDerWaalsContact O-CG1 3.26Å; T418-I422 WeakPolarHBondContact O-CG1 3.44Å; T418-I422 PolarHBondContact O-N 3.1Å; N419-I422 PolarHBondContact O-N 3.38Å; N419-I422 VanDerWaalsContact O-N 3.14Å; I422-T425 VanDerWaalsContact CA-OG1 3.31Å; I422-T425 WeakPolarHBondContact CA-OG1 3.43Å; I422-T425 PolarHBondContact O-OG1 3.21Å; I422-K426 HydrophobicContact CG2-CD 4.17Å; I422-K426 WeakPolarHBondContact O-CB 3.34Å; I422-K426 VanDerWaalsContact O-CG 3.28Å; I422-K426 WeakPolarHBondContact O-CG 3.47Å; I422-K426 PolarHBondContact O-N 3.3Å |
| 423 | E | 93.8 | Very high | 94 | Very high | 124 Ų | 124 | 96.8 Ų | 96.8 | 58% | 0.579 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -65.8 | -48.3 | 176.7 | -73.3 | -176.9 | 169 | 0 | 0 | 111.8 | N419 Q420 I421 T425 K426 L427 | N419-E423 WeakPolarHBondContact O-CG 3.31Å; N419-E423 PolarHBondContact O-N 3.34Å; Q420-E423 PolarHBondContact O-N 3.4Å; I421-E423 VanDerWaalsContact C-N 3.33Å; I421-E423 PolarHBondContact O-N 3.23Å; E423-T425 VanDerWaalsContact C-N 3.32Å; E423-T425 PolarHBondContact O-N 3.02Å; E423-K426 PolarHBondContact O-N 3.41Å; E423-L427 WeakPolarHBondContact O-CG 3.31Å; E423-L427 PolarHBondContact O-N 3.07Å |
| 424 | K | 94.9 | Very high | 93.7 | Very high | 136 Ų | 136 | 96.3 Ų | 96.3 | 59% | 0.591 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -60.2 | -41.7 | 176.5 | -76.4 | -177.8 | 179 | 179.9 | 0 | 112 | Q420 I421 L427 N428 | Q420-K424 WeakPolarHBondContact O-CB 3.49Å; Q420-K424 WeakPolarHBondContact O-CG 3.44Å; Q420-K424 PolarHBondContact O-N 3.31Å; I421-K424 PolarHBondContact O-N 2.92Å; K424-L427 PolarHBondContact O-N 3.01Å; K424-N428 WeakPolarHBondContact O-CB 3.36Å; K424-N428 PolarHBondContact O-N 3.23Å; K424-N428 PolarHBondContact O-ND2 3.36Å |
| 425 | T | 93.7 | Very high | 93.7 | Very high | 62 Ų | 62 | 97.4 Ų | 97.4 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 178.5 | 51 | 0 | 0 | 0 | 0 | 111.9 | I421 I422 E423 N428 Q429 | I421-T425 HydrophobicContact CG2-CG2 4.19Å; I421-T425 WeakPolarHBondContact O-CB 3.39Å; I421-T425 WeakPolarHBondContact O-CG2 3.32Å; I421-T425 PolarHBondContact O-N 2.92Å; I421-T425 PolarHBondContact O-OG1 3.17Å; I422-T425 VanDerWaalsContact CA-OG1 3.31Å; I422-T425 WeakPolarHBondContact CA-OG1 3.43Å; I422-T425 PolarHBondContact O-OG1 3.21Å; E423-T425 VanDerWaalsContact C-N 3.32Å; E423-T425 PolarHBondContact O-N 3.02Å; T425-N428 PolarHBondContact O-N 3.1Å; T425-Q429 WeakPolarHBondContact O-CB 3.26Å; T425-Q429 WeakPolarHBondContact O-CG 3.41Å; T425-Q429 PolarHBondContact O-N 3.49Å |
| 426 | K | 93.8 | Very high | 93.5 | Very high | 126 Ų | 126 | 98.1 Ų | 98.1 | 55% | 0.548 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -60.3 | -46.4 | 173.1 | -75.2 | 173.1 | -179.6 | 175.2 | 0 | 111.9 | I422 E423 N428 Q429 L430 | I422-K426 HydrophobicContact CG2-CD 4.17Å; I422-K426 WeakPolarHBondContact O-CB 3.34Å; I422-K426 VanDerWaalsContact O-CG 3.28Å; I422-K426 WeakPolarHBondContact O-CG 3.47Å; I422-K426 PolarHBondContact O-N 3.3Å; E423-K426 PolarHBondContact O-N 3.41Å; K426-N428 VanDerWaalsContact C-N 3.34Å; K426-N428 PolarHBondContact O-N 2.89Å; K426-Q429 PolarHBondContact O-N 3.12Å; K426-L430 WeakPolarHBondContact O-CG 3.41Å; K426-L430 PolarHBondContact O-N 3.45Å |
| 427 | L | 94.8 | Very high | 93.1 | Very high | 114 Ų | 114 | 95.6 Ų | 95.6 | 60% | 0.597 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -60.4 | -44.2 | 176.8 | -72.7 | 173.4 | 0 | 0 | 0 | 111.6 | E423 K424 Q429 L430 A431 | E423-L427 WeakPolarHBondContact O-CG 3.31Å; E423-L427 PolarHBondContact O-N 3.07Å; K424-L427 PolarHBondContact O-N 3.01Å; L427-Q429 VanDerWaalsContact C-N 3.35Å; L427-Q429 PolarHBondContact O-N 3.42Å; L427-L430 PolarHBondContact O-N 3.38Å; L427-A431 WeakPolarHBondContact O-CB 3.25Å; L427-A431 PolarHBondContact O-N 3.44Å |
| 428 | N | 94.5 | Very high | 92.8 | Very high | 101 Ų | 101 | 95.4 Ų | 95.4 | 54% | 0.54 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -37.9 | 177.1 | -73.1 | -18.1 | 0 | 0 | 0 | 112.4 | K424 T425 K426 K432 | K424-N428 WeakPolarHBondContact O-CB 3.36Å; K424-N428 PolarHBondContact O-N 3.23Å; K424-N428 PolarHBondContact O-ND2 3.36Å; T425-N428 PolarHBondContact O-N 3.1Å; K426-N428 VanDerWaalsContact C-N 3.34Å; K426-N428 PolarHBondContact O-N 2.89Å; N428-K432 WeakPolarHBondContact O-CG 3.48Å; N428-K432 PolarHBondContact O-N 3.36Å |
| 429 | Q | 92.2 | Very high | 92.5 | Very high | 121 Ų | 121 | 97.5 Ų | 97.5 | 57% | 0.565 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -67.4 | -43.2 | 175.5 | -76.2 | 175.3 | -3.3 | 0 | 0 | 111.9 | T425 K426 L427 A431 K432 N433 | T425-Q429 WeakPolarHBondContact O-CB 3.26Å; T425-Q429 WeakPolarHBondContact O-CG 3.41Å; T425-Q429 PolarHBondContact O-N 3.49Å; K426-Q429 PolarHBondContact O-N 3.12Å; L427-Q429 VanDerWaalsContact C-N 3.35Å; L427-Q429 PolarHBondContact O-N 3.42Å; Q429-A431 PolarHBondContact O-N 3.34Å; Q429-K432 PolarHBondContact O-N 3.29Å; Q429-N433 WeakPolarHBondContact O-CB 3.44Å; Q429-N433 PolarHBondContact O-N 3.13Å; Q429-N433 PolarHBondContact O-OD1 3.41Å |
| 430 | L | 93.7 | Very high | 92.1 | Very high | 105 Ų | 105 | 99.7 Ų | 99.7 | 55% | 0.55 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60 | -46.4 | 175 | -71.9 | 171.7 | 0 | 0 | 0 | 111.1 | K426 L427 K432 N433 E434 | K426-L430 WeakPolarHBondContact O-CG 3.41Å; K426-L430 PolarHBondContact O-N 3.45Å; L427-L430 PolarHBondContact O-N 3.38Å; L430-K432 VanDerWaalsContact C-N 3.33Å; L430-K432 PolarHBondContact O-N 3.21Å; L430-N433 PolarHBondContact O-N 3.42Å; L430-E434 WeakPolarHBondContact O-CG 3.46Å; L430-E434 PolarHBondContact O-N 3.04Å |
| 431 | A | 92.7 | Very high | 91.7 | Very high | 46 Ų | 46 | 99.4 Ų | 99.4 | 38% | 0.38 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60.1 | -41.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L427 Q429 E434 I435 | L427-A431 WeakPolarHBondContact O-CB 3.25Å; L427-A431 PolarHBondContact O-N 3.44Å; Q429-A431 PolarHBondContact O-N 3.34Å; A431-E434 PolarHBondContact O-N 3.09Å; A431-I435 WeakPolarHBondContact O-CD1 3.4Å; A431-I435 VanDerWaalsContact O-CG1 3.3Å; A431-I435 WeakPolarHBondContact O-CG1 3.44Å; A431-I435 PolarHBondContact O-N 3.15Å; A431-I435 VanDerWaalsContact O-N 3.1Å |
| 432 | K | 92.5 | Very high | 91.2 | Very high | 137 Ų | 137 | 99.9 Ų | 99.9 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.4 | -46 | 174.7 | -76.8 | 179.1 | 179.8 | -173.2 | 0 | 112.1 | N428 Q429 L430 E434 I435 D436 | N428-K432 WeakPolarHBondContact O-CG 3.48Å; N428-K432 PolarHBondContact O-N 3.36Å; Q429-K432 PolarHBondContact O-N 3.29Å; L430-K432 VanDerWaalsContact C-N 3.33Å; L430-K432 PolarHBondContact O-N 3.21Å; K432-E434 VanDerWaalsContact C-N 3.32Å; K432-E434 PolarHBondContact O-N 2.72Å; K432-I435 PolarHBondContact O-N 2.99Å; K432-D436 PolarHBondContact O-N 3.44Å |
| 433 | N | 91.3 | Very high | 90.8 | Very high | 104 Ų | 104 | 101.6 Ų | 101.6 | 56% | 0.556 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.3 | -37.8 | 179.2 | -67.5 | -10.9 | 0 | 0 | 0 | 112.1 | Q429 L430 D436 A437 | Q429-N433 WeakPolarHBondContact O-CB 3.44Å; Q429-N433 PolarHBondContact O-N 3.13Å; Q429-N433 PolarHBondContact O-OD1 3.41Å; L430-N433 PolarHBondContact O-N 3.42Å; N433-D436 PolarHBondContact O-N 3.19Å; N433-A437 VanDerWaalsContact O-CB 3.29Å; N433-A437 WeakPolarHBondContact O-CB 3.47Å; N433-A437 PolarHBondContact O-N 3.26Å |
| 434 | E | 89.3 | Confident | 90.5 | Very high | 110 Ų | 110 | 100 Ų | 100 | 51% | 0.514 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -62.1 | -46.5 | 173.1 | -74.2 | -173.4 | -178.7 | 0 | 0 | 111.5 | K40 L430 A431 K432 D436 A437 D438 | K40-E434 IonicContact NZ-OE2 2.8Å; L430-E434 WeakPolarHBondContact O-CG 3.46Å; L430-E434 PolarHBondContact O-N 3.04Å; A431-E434 PolarHBondContact O-N 3.09Å; K432-E434 VanDerWaalsContact C-N 3.32Å; K432-E434 PolarHBondContact O-N 2.72Å; E434-D436 VanDerWaalsContact C-N 3.34Å; E434-D436 PolarHBondContact O-N 3.33Å; E434-A437 PolarHBondContact O-N 3.29Å; E434-D438 WeakPolarHBondContact O-CB 3.49Å; E434-D438 PolarHBondContact O-N 3.27Å |
| 435 | I | 92 | Very high | 90.1 | Very high | 90 Ų | 90 | 96.9 Ų | 96.9 | 46% | 0.462 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -61 | -43.8 | 177.5 | -70.9 | 161.6 | 0 | 0 | 0 | 111.2 | A431 K432 D438 K439 | A431-I435 WeakPolarHBondContact O-CD1 3.4Å; A431-I435 VanDerWaalsContact O-CG1 3.3Å; A431-I435 WeakPolarHBondContact O-CG1 3.44Å; A431-I435 PolarHBondContact O-N 3.15Å; A431-I435 VanDerWaalsContact O-N 3.1Å; K432-I435 PolarHBondContact O-N 2.99Å; I435-D438 PolarHBondContact O-N 2.75Å; I435-K439 HydrophobicContact CG2-CD 4.29Å; I435-K439 WeakPolarHBondContact O-CG 3.38Å; I435-K439 PolarHBondContact O-N 2.97Å |
| 436 | D | 89.5 | Confident | 89.6 | Confident | 85 Ų | 85 | 99 Ų | 99 | 46% | 0.455 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.8 | -35.7 | -177.3 | -68.6 | -23.9 | 0 | 0 | 0 | 111.9 | K432 N433 E434 K439 E440 | K432-D436 PolarHBondContact O-N 3.44Å; N433-D436 PolarHBondContact O-N 3.19Å; E434-D436 VanDerWaalsContact C-N 3.34Å; E434-D436 PolarHBondContact O-N 3.33Å; D436-K439 PolarHBondContact O-N 3.37Å; D436-K439 IonicContact OD1-NZ 2.81Å; D436-K439 PolarHBondContact OD1-NZ 3.44Å; D436-E440 WeakPolarHBondContact O-CB 3.45Å; D436-E440 PolarHBondContact O-N 3.15Å |
| 437 | A | 87.9 | Confident | 89.3 | Confident | 47 Ų | 47 | 97.5 Ų | 97.5 | 39% | 0.388 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -41.4 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112 | N433 E434 E440 V441 | N433-A437 VanDerWaalsContact O-CB 3.29Å; N433-A437 WeakPolarHBondContact O-CB 3.47Å; N433-A437 PolarHBondContact O-N 3.26Å; E434-A437 PolarHBondContact O-N 3.29Å; A437-E440 PolarHBondContact O-N 3.15Å; A437-V441 WeakPolarHBondContact O-CG2 3.31Å; A437-V441 PolarHBondContact O-N 3.38Å |
| 438 | D | 87.8 | Confident | 88.9 | Confident | 99 Ų | 99 | 94.7 Ų | 94.7 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -63.3 | -41.7 | 175.8 | -79.3 | -17 | 0 | 0 | 0 | 111.4 | E434 I435 V441 Q442 | E434-D438 WeakPolarHBondContact O-CB 3.49Å; E434-D438 PolarHBondContact O-N 3.27Å; I435-D438 PolarHBondContact O-N 2.75Å; D438-V441 PolarHBondContact O-N 3.1Å; D438-Q442 VanDerWaalsContact O-CG 3.3Å; D438-Q442 WeakPolarHBondContact O-CG 3.31Å; D438-Q442 PolarHBondContact O-N 2.95Å |
| 439 | K | 89.8 | Confident | 88.4 | Confident | 110 Ų | 110 | 96.6 Ų | 96.6 | 48% | 0.478 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.6 | -43.8 | 173.6 | -73.3 | 171.2 | -170.2 | 159.7 | 0 | 112 | I435 D436 V441 Q442 M443 | I435-K439 HydrophobicContact CG2-CD 4.29Å; I435-K439 WeakPolarHBondContact O-CG 3.38Å; I435-K439 PolarHBondContact O-N 2.97Å; D436-K439 PolarHBondContact O-N 3.37Å; D436-K439 IonicContact OD1-NZ 2.81Å; D436-K439 PolarHBondContact OD1-NZ 3.44Å; K439-V441 VanDerWaalsContact C-N 3.33Å; K439-V441 PolarHBondContact O-N 3.28Å; K439-Q442 WeakPolarHBondContact O-CB 3.49Å; K439-Q442 PolarHBondContact O-N 3.48Å; K439-M443 WeakPolarHBondContact O-CG 3.49Å; K439-M443 PolarHBondContact O-N 3.18Å |
| 440 | E | 86 | Confident | 88 | Confident | 127 Ų | 127 | 96.6 Ų | 96.6 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.1 | -39.4 | 179.5 | -169 | 176.7 | -175 | 0 | 0 | 111.5 | D436 A437 M443 N444 | D436-E440 WeakPolarHBondContact O-CB 3.45Å; D436-E440 PolarHBondContact O-N 3.15Å; A437-E440 PolarHBondContact O-N 3.15Å; E440-M443 PolarHBondContact O-N 3.11Å; E440-N444 WeakPolarHBondContact O-CB 3.47Å; E440-N444 VanDerWaalsContact O-CG 3.25Å; E440-N444 PolarHBondContact O-N 3.24Å; E440-N444 PolarHBondContact O-ND2 3.31Å |
| 441 | V | 86.9 | Confident | 87.7 | Confident | 71 Ų | 71 | 96.3 Ų | 96.3 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -63.1 | -44.8 | 172.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | A437 D438 K439 N444 T445 | A437-V441 WeakPolarHBondContact O-CG2 3.31Å; A437-V441 PolarHBondContact O-N 3.38Å; D438-V441 PolarHBondContact O-N 3.1Å; K439-V441 VanDerWaalsContact C-N 3.33Å; K439-V441 PolarHBondContact O-N 3.28Å; V441-N444 PolarHBondContact O-N 3.43Å; V441-T445 HydrophobicContact CG1-CG2 4.34Å; V441-T445 VanDerWaalsContact O-CG2 3.3Å; V441-T445 WeakPolarHBondContact O-CG2 3.27Å; V441-T445 PolarHBondContact O-N 3.46Å; V441-T445 PolarHBondContact O-OG1 3.43Å |
| 442 | Q | 82.8 | Confident | 87.2 | Confident | 114 Ų | 114 | 99.9 Ų | 99.9 | 53% | 0.533 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -57.8 | -51.2 | 176.4 | -74.9 | 173.7 | 13.2 | 0 | 0 | 111.1 | D438 K439 N444 T445 E446 | D438-Q442 VanDerWaalsContact O-CG 3.3Å; D438-Q442 WeakPolarHBondContact O-CG 3.31Å; D438-Q442 PolarHBondContact O-N 2.95Å; K439-Q442 WeakPolarHBondContact O-CB 3.49Å; K439-Q442 PolarHBondContact O-N 3.48Å; Q442-N444 PolarHBondContact O-N 3.25Å; Q442-T445 WeakPolarHBondContact CA-OG1 3.02Å; Q442-T445 PolarHBondContact O-N 3.46Å; Q442-T445 VanDerWaalsContact O-N 3.12Å; Q442-T445 PolarHBondContact O-OG1 2.73Å; Q442-E446 WeakPolarHBondContact O-CG 3.43Å; Q442-E446 PolarHBondContact O-N 3.47Å |
| 443 | M | 86.3 | Confident | 86.7 | Confident | 104 Ų | 104 | 97.4 Ų | 97.4 | 51% | 0.512 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.8 | -45.7 | 177.3 | -69.5 | -60.4 | -57.1 | 0 | 0 | 112.1 | K439 E440 T445 E446 L447 | K439-M443 WeakPolarHBondContact O-CG 3.49Å; K439-M443 PolarHBondContact O-N 3.18Å; E440-M443 PolarHBondContact O-N 3.11Å; M443-T445 VanDerWaalsContact C-N 3.32Å; M443-T445 PolarHBondContact O-N 3.07Å; M443-E446 PolarHBondContact O-N 3.11Å; M443-L447 WeakPolarHBondContact O-CB 3.43Å; M443-L447 VanDerWaalsContact O-CG 3.31Å; M443-L447 WeakPolarHBondContact O-CG 3.38Å; M443-L447 PolarHBondContact O-N 3.46Å |
| 444 | N | 88.6 | Confident | 86.2 | Confident | 90 Ų | 90 | 99.8 Ų | 99.8 | 48% | 0.481 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -64.9 | -35.2 | 178.2 | -74.7 | -28.1 | 0 | 0 | 0 | 112.4 | E440 V441 Q442 A448 | E440-N444 WeakPolarHBondContact O-CB 3.47Å; E440-N444 VanDerWaalsContact O-CG 3.25Å; E440-N444 PolarHBondContact O-N 3.24Å; E440-N444 PolarHBondContact O-ND2 3.31Å; V441-N444 PolarHBondContact O-N 3.43Å; Q442-N444 PolarHBondContact O-N 3.25Å; N444-A448 WeakPolarHBondContact O-CB 3.41Å; N444-A448 PolarHBondContact O-N 3.34Å |
| 445 | T | 85.4 | Confident | 85.8 | Confident | 72 Ų | 72 | 99.5 Ų | 99.5 | 44% | 0.442 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -71 | -38 | 174.9 | 56.1 | 0 | 0 | 0 | 0 | 112.9 | V441 Q442 M443 A448 Y449 | V441-T445 HydrophobicContact CG1-CG2 4.34Å; V441-T445 VanDerWaalsContact O-CG2 3.3Å; V441-T445 WeakPolarHBondContact O-CG2 3.27Å; V441-T445 PolarHBondContact O-N 3.46Å; V441-T445 PolarHBondContact O-OG1 3.43Å; Q442-T445 WeakPolarHBondContact CA-OG1 3.02Å; Q442-T445 PolarHBondContact O-N 3.46Å; Q442-T445 VanDerWaalsContact O-N 3.12Å; Q442-T445 PolarHBondContact O-OG1 2.73Å; M443-T445 VanDerWaalsContact C-N 3.32Å; M443-T445 PolarHBondContact O-N 3.07Å; T445-A448 PolarHBondContact O-N 3.44Å; T445-Y449 VanDerWaalsContact O-CB 3.31Å; T445-Y449 WeakPolarHBondContact O-CB 3.37Å; T445-Y449 PolarHBondContact O-N 2.92Å |
| 446 | E | 83.4 | Confident | 85.2 | Confident | 107 Ų | 107 | 101.1 Ų | 101.1 | 50% | 0.5 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.7 | -47.4 | 174.7 | -73.4 | 177.6 | 175.8 | 0 | 0 | 110.4 | Q442 M443 A448 Y449 E450 | Q442-E446 WeakPolarHBondContact O-CG 3.43Å; Q442-E446 PolarHBondContact O-N 3.47Å; M443-E446 PolarHBondContact O-N 3.11Å; E446-A448 PolarHBondContact O-N 3.32Å; E446-Y449 WeakPolarHBondContact O-CB 3.44Å; E446-Y449 PolarHBondContact O-N 3.27Å; E446-Y449 VanDerWaalsContact O-N 3.14Å; E446-E450 WeakPolarHBondContact O-CG 3.35Å; E446-E450 PolarHBondContact O-N 3.4Å |
| 447 | L | 88.2 | Confident | 84.7 | Confident | 94 Ų | 94 | 99.4 Ų | 99.4 | 49% | 0.492 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -59.9 | -44.3 | 175.8 | -71.3 | 172.5 | 0 | 0 | 0 | 112.3 | M443 Y449 E450 E451 | M443-L447 WeakPolarHBondContact O-CB 3.43Å; M443-L447 VanDerWaalsContact O-CG 3.31Å; M443-L447 WeakPolarHBondContact O-CG 3.38Å; M443-L447 PolarHBondContact O-N 3.46Å; L447-Y449 VanDerWaalsContact C-N 3.31Å; L447-Y449 PolarHBondContact O-N 3.15Å; L447-E450 PolarHBondContact O-N 3.02Å; L447-E451 WeakPolarHBondContact O-CB 3.47Å; L447-E451 PolarHBondContact O-N 3.24Å |
| 448 | A | 86.2 | Confident | 84.3 | Confident | 54 Ų | 54 | 101.7 Ų | 101.7 | 45% | 0.446 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.4 | -37.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | N444 T445 E446 M452 | N444-A448 WeakPolarHBondContact O-CB 3.41Å; N444-A448 PolarHBondContact O-N 3.34Å; T445-A448 PolarHBondContact O-N 3.44Å; E446-A448 PolarHBondContact O-N 3.32Å; A448-M452 WeakPolarHBondContact O-CG 3.35Å; A448-M452 PolarHBondContact O-N 3.01Å |
| 449 | Y | 83.4 | Confident | 83.9 | Confident | 141 Ų | 141 | 101.7 Ų | 101.7 | 55% | 0.553 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -69.5 | -43.7 | 177.2 | -178.2 | -106.1 | 0 | 0 | 0 | 112.2 | T445 E446 L447 E451 M452 L453 | T445-Y449 VanDerWaalsContact O-CB 3.31Å; T445-Y449 WeakPolarHBondContact O-CB 3.37Å; T445-Y449 PolarHBondContact O-N 2.92Å; E446-Y449 WeakPolarHBondContact O-CB 3.44Å; E446-Y449 PolarHBondContact O-N 3.27Å; E446-Y449 VanDerWaalsContact O-N 3.14Å; L447-Y449 VanDerWaalsContact C-N 3.31Å; L447-Y449 PolarHBondContact O-N 3.15Å; Y449-E451 VanDerWaalsContact C-N 3.31Å; Y449-E451 PolarHBondContact O-N 3.45Å; Y449-M452 HydrophobicContact CD2-CE 4.36Å; Y449-M452 PolarHBondContact O-N 3.03Å; Y449-L453 HydrophobicContact CD1-CD1 3.73Å; Y449-L453 HydrophobicContact CD1-CG 4.49Å; Y449-L453 HydrophobicContact CE1-CD1 3.29Å; Y449-L453 HydrophobicContact CE1-CG 4.1Å; Y449-L453 PolarHBondContact O-N 3.3Å |
| 450 | E | 84.5 | Confident | 83.1 | Confident | 122 Ų | 122 | 101.3 Ų | 101.3 | 57% | 0.57 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60 | -41.1 | 173.2 | -73.6 | -176.1 | 169.9 | 0 | 0 | 111.7 | E446 L447 L453 R454 | E446-E450 WeakPolarHBondContact O-CG 3.35Å; E446-E450 PolarHBondContact O-N 3.4Å; L447-E450 PolarHBondContact O-N 3.02Å; E450-L453 PolarHBondContact O-N 3.44Å; E450-R454 WeakPolarHBondContact O-CB 3.46Å; E450-R454 PolarHBondContact O-N 2.87Å |
| 451 | E | 86.2 | Confident | 82.5 | Confident | 98 Ų | 98 | 99.5 Ų | 99.5 | 46% | 0.458 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.4 | -37 | 177.9 | -156.5 | -173.2 | 154.6 | 0 | 0 | 112.1 | L447 Y449 K455 | L447-E451 WeakPolarHBondContact O-CB 3.47Å; L447-E451 PolarHBondContact O-N 3.24Å; Y449-E451 VanDerWaalsContact C-N 3.31Å; Y449-E451 PolarHBondContact O-N 3.45Å; E451-K455 WeakPolarHBondContact O-CG 3.18Å; E451-K455 PolarHBondContact O-N 3.37Å; E451-K455 VanDerWaalsContact O-N 3.12Å; E451-K455 WeakPolarHBondContact OE1-CE 3.43Å; E451-K455 IonicContact OE1-NZ 2.72Å; E451-K455 PolarHBondContact OE1-NZ 2.99Å |
| 452 | M | 84 | Confident | 81.8 | Confident | 121 Ų | 121 | 100.9 Ų | 100.9 | 60% | 0.596 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64 | -47.1 | 170.9 | -74.4 | -154 | -54.4 | 0 | 0 | 111.9 | A448 Y449 R454 K455 E456 | A448-M452 WeakPolarHBondContact O-CG 3.35Å; A448-M452 PolarHBondContact O-N 3.01Å; Y449-M452 HydrophobicContact CD2-CE 4.36Å; Y449-M452 PolarHBondContact O-N 3.03Å; M452-R454 VanDerWaalsContact C-N 3.28Å; M452-R454 PolarHBondContact O-N 3.14Å; M452-K455 PolarHBondContact O-N 3.43Å; M452-E456 WeakPolarHBondContact O-CB 3.3Å; M452-E456 PolarHBondContact O-N 3.5Å |
| 453 | L | 80.5 | Confident | 81 | Confident | 85 Ų | 85 | 101.8 Ų | 101.8 | 45% | 0.445 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -57.3 | -42.2 | 176.8 | -86.2 | 168.8 | 0 | 0 | 0 | 111.7 | Y449 E450 E456 A457 | Y449-L453 HydrophobicContact CD1-CD1 3.73Å; Y449-L453 HydrophobicContact CD1-CG 4.49Å; Y449-L453 HydrophobicContact CE1-CD1 3.29Å; Y449-L453 HydrophobicContact CE1-CG 4.1Å; Y449-L453 PolarHBondContact O-N 3.3Å; E450-L453 PolarHBondContact O-N 3.44Å; L453-E456 PolarHBondContact O-N 3.5Å; L453-A457 WeakPolarHBondContact O-CB 3.33Å; L453-A457 PolarHBondContact O-N 3.4Å |
| 454 | R | 81.1 | Confident | 80.1 | Confident | 154 Ų | 154 | 102 Ų | 102 | 58% | 0.581 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.1 | -45.2 | 178.2 | -152.3 | -170.4 | 82.2 | -156.9 | -2.3 | 111.7 | E450 M452 E456 A457 E458 | E450-R454 WeakPolarHBondContact O-CB 3.46Å; E450-R454 PolarHBondContact O-N 2.87Å; M452-R454 VanDerWaalsContact C-N 3.28Å; M452-R454 PolarHBondContact O-N 3.14Å; R454-E456 VanDerWaalsContact C-N 3.31Å; R454-E456 PolarHBondContact O-N 3.25Å; R454-A457 PolarHBondContact O-N 3.08Å; R454-E458 IonicContact CZ-OE1 3.86Å; R454-E458 IonicContact NE-OE1 3.08Å; R454-E458 PolarHBondContact NE-OE1 2.98Å; R454-E458 VanDerWaalsContact NE-OE1 3.08Å; R454-E458 IonicContact NH2-OE1 3.55Å; R454-E458 VanDerWaalsContact O-CG 3.31Å; R454-E458 WeakPolarHBondContact O-CG 3.12Å; R454-E458 PolarHBondContact O-N 3.3Å |
| 455 | K | 82 | Confident | 79.2 | Confident | 104 Ų | 104 | 104.5 Ų | 104.5 | 45% | 0.452 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.6 | -37.8 | 176 | -73.7 | 172.3 | -174.4 | 158.5 | 0 | 112 | E451 M452 E458 N459 | E451-K455 WeakPolarHBondContact O-CG 3.18Å; E451-K455 PolarHBondContact O-N 3.37Å; E451-K455 VanDerWaalsContact O-N 3.12Å; E451-K455 WeakPolarHBondContact OE1-CE 3.43Å; E451-K455 IonicContact OE1-NZ 2.72Å; E451-K455 PolarHBondContact OE1-NZ 2.99Å; M452-K455 PolarHBondContact O-N 3.43Å; K455-E458 PolarHBondContact O-N 3.47Å; K455-N459 PolarHBondContact O-N 3.05Å |
| 456 | E | 79.1 | Confident | 78.1 | Confident | 125 Ų | 125 | 107.1 Ų | 107.1 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -72.2 | -39.5 | 178.7 | -165.3 | 150.4 | -154.9 | 0 | 0 | 112.2 | M452 L453 R454 E458 N459 L460 | M452-E456 WeakPolarHBondContact O-CB 3.3Å; M452-E456 PolarHBondContact O-N 3.5Å; L453-E456 PolarHBondContact O-N 3.5Å; R454-E456 VanDerWaalsContact C-N 3.31Å; R454-E456 PolarHBondContact O-N 3.25Å; E456-E458 PolarHBondContact O-N 3.17Å; E456-N459 PolarHBondContact O-N 2.96Å; E456-L460 WeakPolarHBondContact O-CG 3.39Å; E456-L460 PolarHBondContact O-N 3.26Å |
| 457 | A | 77.6 | Confident | 77 | Confident | 48 Ų | 48 | 107.2 Ų | 107.2 | 40% | 0.397 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -40.7 | 171.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L453 R454 N461 | L453-A457 WeakPolarHBondContact O-CB 3.33Å; L453-A457 PolarHBondContact O-N 3.4Å; R454-A457 PolarHBondContact O-N 3.08Å; A457-N461 WeakPolarHBondContact O-CB 3.34Å; A457-N461 PolarHBondContact O-N 2.91Å; A457-N461 VanDerWaalsContact O-N 3.08Å; A457-N461 PolarHBondContact O-ND2 3.27Å |
| 458 | E | 81.4 | Confident | 75.6 | Confident | 95 Ų | 95 | 109.7 Ų | 109.7 | 44% | 0.444 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.3 | -42.9 | 173.8 | -73.7 | 170.1 | -157.9 | 0 | 0 | 111.5 | R454 K455 E456 N461 L462 | R454-E458 IonicContact CZ-OE1 3.86Å; R454-E458 IonicContact NE-OE1 3.08Å; R454-E458 PolarHBondContact NE-OE1 2.98Å; R454-E458 VanDerWaalsContact NE-OE1 3.08Å; R454-E458 IonicContact NH2-OE1 3.55Å; R454-E458 VanDerWaalsContact O-CG 3.31Å; R454-E458 WeakPolarHBondContact O-CG 3.12Å; R454-E458 PolarHBondContact O-N 3.3Å; K455-E458 PolarHBondContact O-N 3.47Å; E456-E458 PolarHBondContact O-N 3.17Å; E458-N461 PolarHBondContact O-N 2.93Å; E458-L462 WeakPolarHBondContact O-CG 3.01Å; E458-L462 PolarHBondContact O-N 3.11Å; E458-L462 VanDerWaalsContact O-N 3.1Å |
| 459 | N | 78.6 | Confident | 74 | Confident | 99 Ų | 99 | 112.1 Ų | 112.1 | 53% | 0.529 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.9 | -40.8 | 177.2 | -85.7 | -22.6 | 0 | 0 | 0 | 113.6 | K455 E456 L462 K463 | K455-N459 PolarHBondContact O-N 3.05Å; E456-N459 PolarHBondContact O-N 2.96Å; N459-L462 PolarHBondContact O-N 3.32Å; N459-K463 PolarHBondContact O-N 3.07Å |
| 460 | L | 73.4 | Confident | 72.4 | Confident | 102 Ų | 102 | 110.9 Ų | 110.9 | 53% | 0.534 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.7 | -41.4 | 176.6 | -73.3 | 173.6 | 0 | 0 | 0 | 111.4 | E456 L462 K463 E464 | E456-L460 WeakPolarHBondContact O-CG 3.39Å; E456-L460 PolarHBondContact O-N 3.26Å; L460-L462 VanDerWaalsContact C-N 3.3Å; L460-L462 PolarHBondContact O-N 3.13Å; L460-K463 PolarHBondContact O-N 3.14Å; L460-E464 PolarHBondContact O-N 3Å |
| 461 | N | 72.5 | Confident | 70.7 | Confident | 90 Ų | 90 | 111.7 Ų | 111.7 | 48% | 0.481 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -60.8 | -37.4 | 174.3 | -86.2 | -42 | 0 | 0 | 0 | 112.7 | A457 E458 K465 | A457-N461 WeakPolarHBondContact O-CB 3.34Å; A457-N461 PolarHBondContact O-N 2.91Å; A457-N461 VanDerWaalsContact O-N 3.08Å; A457-N461 PolarHBondContact O-ND2 3.27Å; E458-N461 PolarHBondContact O-N 2.93Å; N461-K465 VanDerWaalsContact O-CG 3.31Å; N461-K465 WeakPolarHBondContact O-CG 3.46Å; N461-K465 PolarHBondContact O-N 2.97Å; N461-K465 VanDerWaalsContact O-N 3.12Å |
| 462 | L | 72 | Confident | 69.1 | Low | 100 Ų | 100 | 113.7 Ų | 113.7 | 52% | 0.524 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -67 | -42.5 | 174.4 | -74.1 | 165.7 | 0 | 0 | 0 | 111.9 | E458 N459 L460 K465 Q466 | E458-L462 WeakPolarHBondContact O-CG 3.01Å; E458-L462 PolarHBondContact O-N 3.11Å; E458-L462 VanDerWaalsContact O-N 3.1Å; N459-L462 PolarHBondContact O-N 3.32Å; L460-L462 VanDerWaalsContact C-N 3.3Å; L460-L462 PolarHBondContact O-N 3.13Å; L462-K465 PolarHBondContact O-N 3.5Å; L462-Q466 WeakPolarHBondContact O-CG 3.35Å; L462-Q466 PolarHBondContact O-N 3.21Å; L462-Q466 VanDerWaalsContact O-N 3.07Å |
| 463 | K | 67.1 | Low | 67.2 | Low | 132 Ų | 132 | 116.2 Ų | 116.2 | 57% | 0.574 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -65.4 | -41.8 | 176.3 | -77.2 | -179.6 | 179.4 | 175.1 | 0 | 112.7 | N459 L460 K465 Q466 L467 | N459-K463 PolarHBondContact O-N 3.07Å; L460-K463 PolarHBondContact O-N 3.14Å; K463-K465 VanDerWaalsContact C-N 3.35Å; K463-K465 PolarHBondContact O-N 3.3Å; K463-Q466 PolarHBondContact O-N 3.49Å; K463-L467 PolarHBondContact O-N 3.39Å |
| 464 | E | 66.8 | Low | 65.6 | Low | 110 Ų | 110 | 120.8 Ų | 120.8 | 51% | 0.514 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -62.1 | -41.9 | 175.3 | -89.4 | -160.4 | 160.1 | 0 | 0 | 112.1 | L460 Q466 L467 K468 | L460-E464 PolarHBondContact O-N 3Å; E464-Q466 VanDerWaalsContact C-N 3.3Å; E464-Q466 PolarHBondContact O-N 2.93Å; E464-L467 PolarHBondContact O-N 2.9Å; E464-K468 WeakPolarHBondContact O-CB 2.9Å; E464-K468 PolarHBondContact O-N 3.45Å |
| 465 | K | 68.9 | Low | 64.2 | Low | 142 Ų | 142 | 117.8 Ų | 117.8 | 62% | 0.617 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -62.2 | -38.7 | 175.4 | -75.6 | 176.1 | -178.2 | 178.8 | 0 | 111.7 | N461 L462 K463 N469 | N461-K465 VanDerWaalsContact O-CG 3.31Å; N461-K465 WeakPolarHBondContact O-CG 3.46Å; N461-K465 PolarHBondContact O-N 2.97Å; N461-K465 VanDerWaalsContact O-N 3.12Å; L462-K465 PolarHBondContact O-N 3.5Å; K463-K465 VanDerWaalsContact C-N 3.35Å; K463-K465 PolarHBondContact O-N 3.3Å; K465-N469 PolarHBondContact O-N 3.19Å; K465-N469 VanDerWaalsContact O-N 3.1Å |
| 466 | Q | 63.8 | Low | 62.4 | Low | 126 Ų | 126 | 118.9 Ų | 118.9 | 59% | 0.589 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -66.8 | -42.3 | 175.2 | -72.2 | 176 | -7 | 0 | 0 | 112.5 | L462 K463 E464 N469 L470 | L462-Q466 WeakPolarHBondContact O-CG 3.35Å; L462-Q466 PolarHBondContact O-N 3.21Å; L462-Q466 VanDerWaalsContact O-N 3.07Å; K463-Q466 PolarHBondContact O-N 3.49Å; E464-Q466 VanDerWaalsContact C-N 3.3Å; E464-Q466 PolarHBondContact O-N 2.93Å; Q466-N469 PolarHBondContact O-N 3.35Å; Q466-L470 PolarHBondContact O-N 3.03Å |
| 467 | L | 58.9 | Low | 60.8 | Low | 110 Ų | 110 | 121.5 Ų | 121.5 | 58% | 0.576 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -66.7 | -41.4 | 177.3 | -80.4 | 165.1 | 0 | 0 | 0 | 112.5 | K463 E464 N469 L470 M471 | K463-L467 PolarHBondContact O-N 3.39Å; E464-L467 PolarHBondContact O-N 2.9Å; L467-N469 VanDerWaalsContact C-N 3.31Å; L467-N469 PolarHBondContact O-N 3.34Å; L467-L470 PolarHBondContact O-N 2.8Å; L467-M471 WeakPolarHBondContact O-CG 3.48Å; L467-M471 PolarHBondContact O-N 3.13Å |
| 468 | K | 59 | Low | 59.4 | Low | 146 Ų | 146 | 122.3 Ų | 122.3 | 64% | 0.635 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -61.1 | -40.8 | 174 | -81.1 | 178.1 | 178.3 | 166.7 | 0 | 111.6 | E464 M471 F472 | E464-K468 WeakPolarHBondContact O-CB 2.9Å; E464-K468 PolarHBondContact O-N 3.45Å; K468-M471 PolarHBondContact O-N 3.1Å; K468-F472 PolarHBondContact O-N 3.45Å; K468-F472 VanDerWaalsContact O-N 3.07Å |
| 469 | N | 53.8 | Low | 57.7 | Low | 104 Ų | 104 | 128.3 Ų | 128.3 | 56% | 0.556 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -63.4 | -44 | 174.6 | -83.6 | -9.1 | 0 | 0 | 0 | 112.1 | K465 Q466 L467 M471 F472 Y473 | K465-N469 PolarHBondContact O-N 3.19Å; K465-N469 VanDerWaalsContact O-N 3.1Å; Q466-N469 PolarHBondContact O-N 3.35Å; L467-N469 VanDerWaalsContact C-N 3.31Å; L467-N469 PolarHBondContact O-N 3.34Å; N469-M471 PolarHBondContact O-N 3.49Å; N469-F472 PolarHBondContact O-N 3.44Å; N469-Y473 WeakPolarHBondContact O-CD2 3.42Å; N469-Y473 PolarHBondContact O-N 2.81Å |
| 470 | L | 49.8 | Very low | 56.1 | Low | 116 Ų | 116 | 131.2 Ų | 131.2 | 61% | 0.607 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.9 | -37.1 | 178 | -79 | 165.9 | 0 | 0 | 0 | 113.2 | Q466 L467 Y473 K474 | Q466-L470 PolarHBondContact O-N 3.03Å; L467-L470 PolarHBondContact O-N 2.8Å; L470-Y473 PolarHBondContact O-N 2.95Å; L470-K474 PolarHBondContact O-N 3.44Å |
| 471 | M | 48.9 | Very low | 54.4 | Low | 139 Ų | 139 | 133.6 Ų | 133.6 | 69% | 0.685 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -66.5 | -40.3 | 175.9 | -74.6 | -115.5 | -81.6 | 0 | 0 | 111.6 | L467 K468 N469 Y473 K474 T475 | L467-M471 WeakPolarHBondContact O-CG 3.48Å; L467-M471 PolarHBondContact O-N 3.13Å; K468-M471 PolarHBondContact O-N 3.1Å; N469-M471 PolarHBondContact O-N 3.49Å; M471-Y473 VanDerWaalsContact C-N 3.27Å; M471-Y473 PolarHBondContact O-N 3.3Å; M471-K474 PolarHBondContact O-N 3.44Å; M471-K474 VanDerWaalsContact O-N 3.14Å; M471-T475 PolarHBondContact O-N 2.99Å; M471-T475 PolarHBondContact O-OG1 2.86Å |
| 472 | F | 51.1 | Low | 53.1 | Low | 139 Ų | 139 | 139.5 Ų | 139.5 | 61% | 0.61 | 67% | 0.674 | S | S | * | * | H | α-helix | trans | -60.7 | -34.8 | 178 | -162.9 | -95 | 0 | 0 | 0 | 112.8 | K468 N469 | K468-F472 PolarHBondContact O-N 3.45Å; K468-F472 VanDerWaalsContact O-N 3.07Å; N469-F472 PolarHBondContact O-N 3.44Å |
| 473 | Y | 45.3 | Very low | 51.4 | Low | 175 Ų | 175 | 144.5 Ų | 144.5 | 69% | 0.686 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -73.4 | -26.1 | 177.2 | -72.2 | -67.6 | 0 | 0 | 0 | 114.1 | N469 L470 M471 | N469-Y473 WeakPolarHBondContact O-CD2 3.42Å; N469-Y473 PolarHBondContact O-N 2.81Å; L470-Y473 PolarHBondContact O-N 2.95Å; M471-Y473 VanDerWaalsContact C-N 3.27Å; M471-Y473 PolarHBondContact O-N 3.3Å |
| 474 | K | 47.3 | Very low | 50.1 | Low | 181 Ų | 181 | 149.9 Ų | 149.9 | 79% | 0.787 | 73% | 0.726 | S | S | * | * | H | α-helix | trans | -77.3 | -30.7 | 179.2 | -78.8 | -172.8 | 175.9 | -178.6 | 0 | 113.1 | L470 M471 N476 | L470-K474 PolarHBondContact O-N 3.44Å; M471-K474 PolarHBondContact O-N 3.44Å; M471-K474 VanDerWaalsContact O-N 3.14Å; K474-N476 VanDerWaalsContact C-N 3.34Å; K474-N476 PolarHBondContact O-N 3.31Å |
| 475 | T | 50 | Low | 49.3 | Very low | 90 Ų | 90 | 151.9 Ų | 151.9 | 55% | 0.552 | 74% | 0.737 | S | S | * | * | H | α-helix | trans | -72.1 | -25.6 | -175.7 | -10.5 | 0 | 0 | 0 | 0 | 113.4 | M471 | M471-T475 PolarHBondContact O-N 2.99Å; M471-T475 PolarHBondContact O-OG1 2.86Å |
| 476 | N | 45.8 | Very low | 48.2 | Very low | 127 Ų | 127 | 152.4 Ų | 152.4 | 68% | 0.679 | 74% | 0.743 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | -8.9 | -174.1 | -88.9 | -8.3 | 0 | 0 | 0 | 116.1 | K474 | K474-N476 VanDerWaalsContact C-N 3.34Å; K474-N476 PolarHBondContact O-N 3.31Å |
| 477 | Q | 45.7 | Very low | 47.4 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 85% | 0.846 | 75% | 0.752 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | -4.5 | 178.7 | -74.4 | -162.2 | -16.5 | 0 | 0 | 115.1 | ||
| 478 | G | 47.7 | Very low | 46.7 | Very low | 64 Ų | 64 | 156.5 Ų | 156.5 | 66% | 0.66 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -85.9 | -16.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 117.5 | ||
| 479 | Y | 45.3 | Very low | 45.9 | Very low | 221 Ų | 221 | 157.1 Ų | 157.1 | 87% | 0.867 | 77% | 0.77 | S | S | * | * | S | Bend | trans | -97.8 | 13 | -167.3 | -76.2 | -77.5 | 0 | 0 | 0 | 116.2 | ||
| 480 | L | 45.2 | Very low | 45.4 | Very low | 161 Ų | 161 | 160.7 Ų | 160.7 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -109 | 3.1 | -174.7 | -90.5 | 160.2 | 0 | 0 | 0 | 117.2 | ||
| 481 | N | 38.6 | Very low | 45.1 | Very low | 152 Ų | 152 | 163.9 Ų | 163.9 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -132.6 | 96.7 | 179 | -86.5 | -25 | 0 | 0 | 0 | 112.9 | ||||
| 482 | K | 44.9 | Very low | 44.8 | Very low | 214 Ų | 214 | 165.8 Ų | 165.8 | 93% | 0.93 | 81% | 0.806 | S | S | * | * | trans | 178.3 | 72.2 | 142.5 | -94.8 | 167.7 | -166.4 | -170.7 | 0 | 111.1 | ||||
| 483 | K | 35.7 | Very low | 44.2 | Very low | 205 Ų | 205 | 168 Ų | 168 | 89% | 0.891 | 82% | 0.822 | S | S | * | * | trans | -112.6 | 108.3 | 146.7 | -98.1 | -173.5 | 176.5 | -179.5 | 0 | 105.6 | ||||
| 484 | N | 39.5 | Very low | 44.1 | Very low | 245 Ų | 245 | 167.4 Ų | 167.4 | 100% | 1.31 | 83% | 0.834 | S | S | * | * | trans | -173.3 | 0 | 150.4 | -93.5 | -9.3 | 0 | 0 | 0 | 107.9 |
Retrieved 484 of 484 residues in 84.2 ms
(Link to these results)