| 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 | 30.4 | Very low | 56.6 | Low | 253 Ų | 253 | 122.5 Ų | 122.5 | 100% | 1.246 | 66% | 0.662 | S | S | * | * | 0 | 129.3 | 0 | -68.9 | 174.3 | 176.4 | 0 | 0 | 108.1 | |||||
| 2 | A | 30.8 | Very low | 58.7 | Low | 103 Ų | 103 | 120.5 Ų | 120.5 | 85% | 0.851 | 64% | 0.643 | S | S | * | * | trans | -140.1 | 100 | 177.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 3 | Q | 34.3 | Very low | 60.8 | Low | 199 Ų | 199 | 116.3 Ų | 116.3 | 93% | 0.93 | 62% | 0.615 | S | S | * | * | trans | -76.5 | 135.6 | 166.4 | -75.9 | -178 | -20.6 | 0 | 0 | 108.8 | G5 | Q3-G5 VanDerWaalsContact C-N 3.3Å; Q3-G5 PolarHBondContact O-N 3.27Å | ||
| 4 | K | 41.9 | Very low | 62.5 | Low | 195 Ų | 195 | 108.7 Ų | 108.7 | 85% | 0.848 | 58% | 0.575 | S | S | * | * | trans | -71.2 | 86 | 171.3 | -69 | -175.6 | 176.1 | -172.8 | 0 | 109.5 | ||||
| 5 | G | 50.9 | Low | 64 | Low | 63 Ų | 63 | 105.5 Ų | 105.5 | 65% | 0.649 | 55% | 0.554 | S | S | * | * | P | Polyproline II helix | trans | -63.7 | 142.6 | 166.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q3 L7 | Q3-G5 VanDerWaalsContact C-N 3.3Å; Q3-G5 PolarHBondContact O-N 3.27Å; G5-L7 PolarHBondContact O-N 2.9Å |
| 6 | Q | 61.9 | Low | 65.1 | Low | 196 Ų | 196 | 99.7 Ų | 99.7 | 92% | 0.916 | 53% | 0.525 | S | S | * | . | P | Polyproline II helix | trans | -69.6 | 126.8 | 161.3 | -70.2 | 176.6 | -45.7 | 0 | 0 | 107.5 | S8 | Q6-S8 PolarHBondContact O-N 3.37Š|
| 7 | L | 69.5 | Low | 65.6 | Low | 51 Ų | 51 | 98.6 Ų | 98.6 | 27% | 0.267 | 52% | 0.519 | S | S | . | . | P | Polyproline II helix | trans | -56.8 | 135.9 | 172.2 | -65 | 170.3 | 0 | 0 | 0 | 109.3 | G5 E11 K12 F15 | G5-L7 PolarHBondContact O-N 2.9Å; L7-E11 HydrophobicContact CB-CB 4.19Å; L7-E11 HydrophobicContact CD2-CB 4.24Å; L7-K12 HydrophobicContact CB-CG 4.01Å; L7-K12 WeakPolarHBondContact O-CE 3.24Å; L7-F15 HydrophobicContact CD1-CB 3.94Å; L7-F15 HydrophobicContact CD2-CB 3.9Å; L7-F15 HydrophobicContact CD2-CD2 4.16Å; L7-F15 HydrophobicContact CD2-CG 4.13Å |
| 8 | S | 74.7 | Confident | 65.8 | Low | 41 Ų | 41 | 99.9 Ų | 99.9 | 29% | 0.287 | 52% | 0.52 | S | S | . | . | P | Polyproline II helix | trans | -61.1 | 161.6 | 170.4 | 89.7 | 0 | 0 | 0 | 0 | 111.1 | Q6 D10 E11 K12 | Q6-S8 PolarHBondContact O-N 3.37Å; S8-D10 PolarHBondContact O-N 2.77Å; S8-D10 PolarHBondContact OG-N 3.44Å; S8-E11 PolarHBondContact N-OE2 3.16Å; S8-E11 PolarHBondContact O-N 3.18Å; S8-E11 VanDerWaalsContact O-N 3.09Å; S8-E11 WeakPolarHBondContact OG-CG 3.46Å; S8-E11 PolarHBondContact OG-N 2.85Å; S8-K12 WeakPolarHBondContact O-CG 3.49Å; S8-K12 PolarHBondContact O-N 2.88Å; S8-K12 VanDerWaalsContact O-N 3.07Å |
| 9 | D | 73.6 | Confident | 65.6 | Low | 114 Ų | 114 | 101.2 Ų | 101.2 | 61% | 0.61 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -28.5 | 177.6 | -69.3 | -44.7 | 0 | 0 | 0 | 112.9 | K12 F13 | D9-K12 IonicContact OD1-NZ 2.85Å; D9-K12 PolarHBondContact OD1-NZ 2.89Å; D9-F13 WeakPolarHBondContact O-CD2 3.43Å; D9-F13 VanDerWaalsContact O-CE2 3.3Å; D9-F13 WeakPolarHBondContact O-CE2 3.23Å |
| 10 | D | 74.1 | Confident | 65.3 | Low | 87 Ų | 87 | 105.2 Ų | 105.2 | 47% | 0.465 | 54% | 0.541 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -41.5 | 170.8 | -55.1 | -50.7 | 0 | 0 | 0 | 112.1 | S8 K12 F13 P132 | S8-D10 PolarHBondContact O-N 2.77Å; S8-D10 PolarHBondContact OG-N 3.44Å; D10-K12 PolarHBondContact O-N 3.3Å; D10-F13 WeakPolarHBondContact O-CB 3.3Å; D10-F13 PolarHBondContact O-N 3.32Å; D10-P132 HydrophobicContact CB-CB 4.43Å; D10-P132 HydrophobicContact CB-CG 4.32Å; D10-P132 WeakPolarHBondContact OD1-CB 3.05Å |
| 11 | E | 80.1 | Confident | 65.1 | Low | 46 Ų | 46 | 102 Ų | 102 | 22% | 0.215 | 52% | 0.524 | C | S | . | . | G | 310 helix | trans | -67.1 | -24.1 | -177.7 | -73.9 | 159.2 | -174.7 | 0 | 0 | 112.5 | L7 S8 F13 L14 F15 K137 | L7-E11 HydrophobicContact CB-CB 4.19Å; L7-E11 HydrophobicContact CD2-CB 4.24Å; S8-E11 PolarHBondContact N-OE2 3.16Å; S8-E11 PolarHBondContact O-N 3.18Å; S8-E11 VanDerWaalsContact O-N 3.09Å; S8-E11 WeakPolarHBondContact OG-CG 3.46Å; S8-E11 PolarHBondContact OG-N 2.85Å; E11-F13 PolarHBondContact O-N 2.78Å; E11-L14 PolarHBondContact O-N 2.74Å; E11-F15 HydrophobicContact CB-CD2 4.21Å; E11-F15 PolarHBondContact O-N 3.11Å; E11-K137 IonicContact OE1-NZ 3.8Å; E11-K137 PolarHBondContact OE1-NZ 3.03Å |
| 12 | K | 82.1 | Confident | 66.4 | Low | 98 Ų | 98 | 96.2 Ų | 96.2 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | G | 310 helix | trans | -63.9 | -21 | 170.5 | -68.3 | 166.8 | -159.8 | 169.2 | 0 | 113.5 | L7 S8 D9 D10 L14 | L7-K12 HydrophobicContact CB-CG 4.01Å; L7-K12 WeakPolarHBondContact O-CE 3.24Å; S8-K12 WeakPolarHBondContact O-CG 3.49Å; S8-K12 PolarHBondContact O-N 2.88Å; S8-K12 VanDerWaalsContact O-N 3.07Å; D9-K12 IonicContact OD1-NZ 2.85Å; D9-K12 PolarHBondContact OD1-NZ 2.89Å; D10-K12 PolarHBondContact O-N 3.3Å; K12-L14 VanDerWaalsContact C-N 3.29Å |
| 13 | F | 85.6 | Confident | 68.1 | Low | 66 Ų | 66 | 93.8 Ų | 93.8 | 29% | 0.289 | 48% | 0.475 | S | S | . | . | G | 310 helix | trans | -85.7 | 1.6 | 172 | -64 | -79.4 | 0 | 0 | 0 | 113.2 | D9 D10 E11 L131 P132 I133 | D9-F13 WeakPolarHBondContact O-CD2 3.43Å; D9-F13 VanDerWaalsContact O-CE2 3.3Å; D9-F13 WeakPolarHBondContact O-CE2 3.23Å; D10-F13 WeakPolarHBondContact O-CB 3.3Å; D10-F13 PolarHBondContact O-N 3.32Å; E11-F13 PolarHBondContact O-N 2.78Å; F13-L131 HydrophobicContact CD1-CD2 4.16Å; F13-L131 HydrophobicContact CE1-CD2 4.33Å; F13-P132 HydrophobicContact CD2-CG 3.68Å; F13-P132 HydrophobicContact CE2-CG 4.19Å; F13-P132 HydrophobicContact CG-CG 4.27Å; F13-I133 HydrophobicContact CB-CG2 3.81Å |
| 14 | L | 84.9 | Confident | 69.8 | Low | 10 Ų | 10 | 89.3 Ų | 89.3 | 5% | 0.052 | 46% | 0.464 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -124.7 | -41.3 | -179 | -157.2 | 86.1 | 0 | 0 | 0 | 112.7 | E11 K12 I133 Y142 P151 | E11-L14 PolarHBondContact O-N 2.74Å; K12-L14 VanDerWaalsContact C-N 3.29Å; L14-I133 HydrophobicContact CD1-CB 4.21Å; L14-I133 HydrophobicContact CD1-CG2 4.12Å; L14-Y142 HydrophobicContact CD1-CE2 4.21Å; L14-Y142 HydrophobicContact CD2-CE2 4.03Å; L14-P151 HydrophobicContact CG-CG 4.5Å; L14-P151 WeakPolarHBondContact O-CB 3.14Å; L14-P151 WeakPolarHBondContact O-CG 3.23Å |
| 15 | F | 85.2 | Confident | 71.3 | Confident | 60 Ų | 60 | 84.9 Ų | 84.9 | 26% | 0.263 | 45% | 0.453 | S | S | . | . | S | Bend | trans | -105.1 | 140.8 | -177.7 | -68.2 | -87 | 0 | 0 | 0 | 112 | L7 E11 M141 M150 P151 | L7-F15 HydrophobicContact CD1-CB 3.94Å; L7-F15 HydrophobicContact CD2-CB 3.9Å; L7-F15 HydrophobicContact CD2-CD2 4.16Å; L7-F15 HydrophobicContact CD2-CG 4.13Å; E11-F15 HydrophobicContact CB-CD2 4.21Å; E11-F15 PolarHBondContact O-N 3.11Å; F15-M141 HydrophobicContact CE2-CE 3.93Å; F15-M141 HydrophobicContact CZ-CE 4.13Å; F15-M150 HydrophobicContact CZ-CE 4.29Å; F15-P151 HydrophobicContact CD1-CG 3.42Å; F15-P151 VanDerWaalsContact CD1-CG 3.42Å; F15-P151 HydrophobicContact CE1-CG 3.44Å; F15-P151 VanDerWaalsContact CE1-CG 3.44Å; F15-P151 HydrophobicContact CG-CG 4Å; F15-P151 HydrophobicContact CZ-CG 4.03Å |
| 16 | V | 81.9 | Confident | 72.2 | Confident | 13 Ų | 13 | 83.7 Ų | 83.7 | 8% | 0.079 | 44% | 0.437 | C | S | . | . | trans | -68.8 | 129.8 | 171.1 | -174.2 | 0 | 0 | 0 | 0 | 109.8 | K18 I21 K86 E88 L113 | V16-K18 HydrophobicContact CB-CG 4.43Å; V16-K18 HydrophobicContact CG1-CG 4.49Å; V16-K18 WeakPolarHBondContact O-CG 3.44Å; V16-K18 PolarHBondContact O-N 3.42Å; V16-I21 HydrophobicContact CG1-CD1 4.01Å; V16-K86 HydrophobicContact CG1-CB 3.97Å; V16-K86 HydrophobicContact CG1-CD 4.4Å; V16-K86 HydrophobicContact CG2-CB 4.45Å; V16-E88 HydrophobicContact CG2-CG 3.99Å; V16-L113 HydrophobicContact CG2-CD1 3.8Å | ||
| 17 | D | 72.8 | Confident | 72.6 | Confident | 81 Ų | 81 | 79 Ų | 79 | 43% | 0.433 | 42% | 0.415 | S | S | . | . | trans | -72 | 95.7 | 169.8 | -173.9 | -4.4 | 0 | 0 | 0 | 110.7 | N19 | D17-N19 PolarHBondContact O-N 2.81Å; D17-N19 VanDerWaalsContact OD1-CB 3.26Å; D17-N19 WeakPolarHBondContact OD1-CB 3.23Å; D17-N19 PolarHBondContact OD1-N 2.71Å; D17-N19 PolarHBondContact OD1-ND2 3.06Å | ||
| 18 | K | 69.4 | Low | 72.6 | Confident | 123 Ų | 123 | 79.6 Ų | 79.6 | 54% | 0.535 | 43% | 0.427 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.8 | -0.8 | -177.1 | -54.2 | -169.9 | 178.7 | 179.8 | 0 | 113.4 | V16 F20 I21 E88 | V16-K18 HydrophobicContact CB-CG 4.43Å; V16-K18 HydrophobicContact CG1-CG 4.49Å; V16-K18 WeakPolarHBondContact O-CG 3.44Å; V16-K18 PolarHBondContact O-N 3.42Å; K18-F20 VanDerWaalsContact C-N 3.32Å; K18-F20 PolarHBondContact O-N 2.74Å; K18-I21 HydrophobicContact CB-CD1 4.19Å; K18-I21 HydrophobicContact CG-CD1 4.07Å; K18-I21 PolarHBondContact O-N 3.29Å; K18-E88 WeakPolarHBondContact CE-OE1 3.42Å; K18-E88 IonicContact NZ-OE1 2.63Å; K18-E88 PolarHBondContact NZ-OE1 2.67Å |
| 19 | N | 62.6 | Low | 72.4 | Confident | 124 Ų | 124 | 82.7 Ų | 82.7 | 66% | 0.663 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.2 | -26.8 | -179.4 | -67.9 | -66.6 | 0 | 0 | 0 | 113.8 | D17 | D17-N19 PolarHBondContact O-N 2.81Å; D17-N19 VanDerWaalsContact OD1-CB 3.26Å; D17-N19 WeakPolarHBondContact OD1-CB 3.23Å; D17-N19 PolarHBondContact OD1-N 2.71Å; D17-N19 PolarHBondContact OD1-ND2 3.06Å |
| 20 | F | 60 | Low | 72.3 | Confident | 180 Ų | 180 | 81 Ų | 81 | 79% | 0.789 | 43% | 0.426 | S | S | * | . | S | Bend | trans | -87.2 | -20 | 179 | -99.3 | -89.2 | 0 | 0 | 0 | 114.8 | K18 N22 | K18-F20 VanDerWaalsContact C-N 3.32Å; K18-F20 PolarHBondContact O-N 2.74Å; F20-N22 VanDerWaalsContact C-N 3.28Å; F20-N22 PolarHBondContact O-N 2.79Å |
| 21 | I | 59.8 | Low | 71.9 | Confident | 38 Ų | 38 | 79.8 Ų | 79.8 | 20% | 0.195 | 43% | 0.428 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -25 | -164.3 | -60 | -178.4 | 0 | 0 | 0 | 112.8 | V16 K18 S23 | V16-I21 HydrophobicContact CG1-CD1 4.01Å; K18-I21 HydrophobicContact CB-CD1 4.19Å; K18-I21 HydrophobicContact CG-CD1 4.07Å; K18-I21 PolarHBondContact O-N 3.29Å; I21-S23 PolarHBondContact O-N 3.35Å |
| 22 | N | 59.2 | Low | 71.4 | Confident | 132 Ų | 132 | 80.5 Ų | 80.5 | 71% | 0.706 | 44% | 0.441 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.7 | 31.5 | -174.5 | -65.4 | -25.8 | 0 | 0 | 0 | 114.2 | F20 P24 | F20-N22 VanDerWaalsContact C-N 3.28Å; F20-N22 PolarHBondContact O-N 2.79Å; N22-P24 VanDerWaalsContact O-CD 3.24Å; N22-P24 WeakPolarHBondContact O-CD 3.33Å |
| 23 | S | 65.6 | Low | 70.7 | Confident | 52 Ų | 52 | 84.8 Ų | 84.8 | 36% | 0.364 | 46% | 0.46 | S | S | . | . | trans | -68.9 | 115.2 | 177.2 | -179.5 | 0 | 0 | 0 | 0 | 111.7 | I21 V25 A26 Q27 | I21-S23 PolarHBondContact O-N 3.35Å; S23-V25 PolarHBondContact O-N 3.42Å; S23-A26 PolarHBondContact O-N 3.27Å; S23-Q27 PolarHBondContact O-N 2.69Å | ||
| 24 | P | 69.9 | Low | 70.5 | Confident | 106 Ų | 106 | 87.9 Ų | 87.9 | 69% | 0.688 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.6 | -28.6 | -178.3 | -21.7 | 34.5 | 0 | 0 | 0 | 112.9 | N22 A28 | N22-P24 VanDerWaalsContact O-CD 3.24Å; N22-P24 WeakPolarHBondContact O-CD 3.33Å; P24-A28 WeakPolarHBondContact O-CB 3.35Å; P24-A28 PolarHBondContact O-N 2.61Å |
| 25 | V | 73.4 | Confident | 70.5 | Confident | 101 Ų | 101 | 89.5 Ų | 89.5 | 61% | 0.612 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.1 | -50 | -179.3 | -175.8 | 0 | 0 | 0 | 0 | 110.7 | S23 Q27 A28 D29 | S23-V25 PolarHBondContact O-N 3.42Å; V25-Q27 VanDerWaalsContact C-N 3.27Å; V25-Q27 PolarHBondContact O-N 2.74Å; V25-A28 WeakPolarHBondContact O-CB 3.42Å; V25-A28 PolarHBondContact O-N 2.73Å; V25-A28 VanDerWaalsContact O-N 3.1Å; V25-D29 PolarHBondContact O-N 2.62Å |
| 26 | A | 69.6 | Low | 70.7 | Confident | 39 Ų | 39 | 87 Ų | 87 | 32% | 0.322 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.3 | -36 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | S23 W30 P82 | S23-A26 PolarHBondContact O-N 3.27Å; A26-W30 PolarHBondContact O-N 2.8Å; A26-W30 VanDerWaalsContact O-N 3.14Å; A26-P82 HydrophobicContact CB-CB 4.24Å; A26-P82 HydrophobicContact CB-CG 4.1Å |
| 27 | Q | 70.6 | Confident | 71.2 | Confident | 96 Ų | 96 | 87 Ų | 87 | 45% | 0.449 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -73.9 | -28.1 | 176.9 | -166.9 | 161.5 | -3.5 | 0 | 0 | 112.9 | S23 V25 A31 | S23-Q27 PolarHBondContact O-N 2.69Å; V25-Q27 VanDerWaalsContact C-N 3.27Å; V25-Q27 PolarHBondContact O-N 2.74Å; Q27-A31 VanDerWaalsContact O-CB 3.27Å; Q27-A31 WeakPolarHBondContact O-CB 3.49Å; Q27-A31 PolarHBondContact O-N 2.73Å |
| 28 | A | 70.4 | Confident | 72 | Confident | 64 Ų | 64 | 83.3 Ų | 83.3 | 53% | 0.529 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -71.1 | -44.5 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | P24 V25 W30 A31 A32 | P24-A28 WeakPolarHBondContact O-CB 3.35Å; P24-A28 PolarHBondContact O-N 2.61Å; V25-A28 WeakPolarHBondContact O-CB 3.42Å; V25-A28 PolarHBondContact O-N 2.73Å; V25-A28 VanDerWaalsContact O-N 3.1Å; A28-W30 PolarHBondContact O-N 2.71Å; A28-A31 PolarHBondContact O-N 2.75Å; A28-A32 PolarHBondContact O-N 3.3Å |
| 29 | D | 70.8 | Confident | 72.9 | Confident | 106 Ų | 106 | 80.7 Ų | 80.7 | 57% | 0.567 | 44% | 0.443 | S | S | * | . | H | α-helix | trans | -61.2 | -43.7 | 175.3 | -87.4 | -27.3 | 0 | 0 | 0 | 111.8 | V25 A31 A32 L35 | V25-D29 PolarHBondContact O-N 2.62Å; D29-A31 VanDerWaalsContact C-N 3.34Å; D29-A31 PolarHBondContact O-N 3.49Å; D29-A32 WeakPolarHBondContact O-CB 3.27Å; D29-A32 PolarHBondContact O-N 2.76Å; D29-L35 HydrophobicContact CB-CD1 4.43Å |
| 30 | W | 71.3 | Confident | 74.1 | Confident | 79 Ų | 79 | 75.6 Ų | 75.6 | 30% | 0.299 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -63.7 | -38.6 | 174.4 | 179.9 | 86.6 | 0 | 0 | 0 | 112.4 | A26 A28 A32 K33 M79 N80 P81 P82 | A26-W30 PolarHBondContact O-N 2.8Å; A26-W30 VanDerWaalsContact O-N 3.14Å; A28-W30 PolarHBondContact O-N 2.71Å; W30-A32 PolarHBondContact O-N 3.34Å; W30-A32 VanDerWaalsContact O-N 3.12Å; W30-K33 PolarHBondContact O-N 2.67Å; W30-M79 PolarHBondContact NE1-O 2.8Å; W30-N80 PolarHBondContact NE1-O 3.49Å; W30-P81 HydrophobicContact CD2-CB 4.16Å; W30-P81 HydrophobicContact CD2-CG 4.32Å; W30-P81 HydrophobicContact CE3-CB 4.32Å; W30-P81 HydrophobicContact CE3-CG 4.47Å; W30-P81 HydrophobicContact CH2-CB 4.46Å; W30-P81 HydrophobicContact CH2-CG 3.77Å; W30-P81 HydrophobicContact CZ2-CB 4.29Å; W30-P81 HydrophobicContact CZ2-CG 3.55Å; W30-P81 HydrophobicContact CZ3-CB 4.47Å; W30-P81 HydrophobicContact CZ3-CG 4.22Å; W30-P82 HydrophobicContact CB-CG 4.25Å |
| 31 | A | 66.1 | Low | 75.2 | Confident | 62 Ų | 62 | 76.3 Ų | 76.3 | 51% | 0.512 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -63.7 | -16.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q27 A28 D29 K33 | Q27-A31 VanDerWaalsContact O-CB 3.27Å; Q27-A31 WeakPolarHBondContact O-CB 3.49Å; Q27-A31 PolarHBondContact O-N 2.73Å; A28-A31 PolarHBondContact O-N 2.75Å; D29-A31 VanDerWaalsContact C-N 3.34Å; D29-A31 PolarHBondContact O-N 3.49Å; A31-K33 PolarHBondContact O-N 2.61Å |
| 32 | A | 68.6 | Low | 76.4 | Confident | 60 Ų | 60 | 82.2 Ų | 82.2 | 50% | 0.496 | 45% | 0.447 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -5.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 114 | A28 D29 W30 R34 | A28-A32 PolarHBondContact O-N 3.3Å; D29-A32 WeakPolarHBondContact O-CB 3.27Å; D29-A32 PolarHBondContact O-N 2.76Å; W30-A32 PolarHBondContact O-N 3.34Å; W30-A32 VanDerWaalsContact O-N 3.12Å; A32-R34 PolarHBondContact O-N 2.96Å |
| 33 | K | 68 | Low | 77.6 | Confident | 189 Ų | 189 | 78.5 Ų | 78.5 | 82% | 0.822 | 43% | 0.425 | S | S | * | . | S | Bend | trans | 58.8 | 4.8 | 176.8 | -64.7 | -173.2 | 176.6 | -175.4 | 0 | 116.9 | W30 A31 | W30-K33 PolarHBondContact O-N 2.67Å; A31-K33 PolarHBondContact O-N 2.61Å |
| 34 | R | 81 | Confident | 78.7 | Confident | 131 Ų | 131 | 76.2 Ų | 76.2 | 49% | 0.494 | 41% | 0.41 | S | S | . | . | trans | -88.1 | -11.2 | -179.8 | -70.8 | 172.8 | -179 | -103.5 | 3.3 | 114.3 | A32 S49 I50 | A32-R34 PolarHBondContact O-N 2.96Å; R34-S49 CarbonylContact O-C 3.54Å; R34-S49 WeakPolarHBondContact O-CA 3.25Å; R34-I50 HydrophobicContact CB-CB 4.47Å; R34-I50 PolarHBondContact NH1-O 2.78Å; R34-I50 PolarHBondContact O-N 3.46Å | ||
| 35 | L | 85.8 | Confident | 79.6 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 23% | 0.225 | 38% | 0.38 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 124 | -177 | -72.1 | 173.2 | 0 | 0 | 0 | 111.7 | D29 A48 V63 M79 | D29-L35 HydrophobicContact CB-CD1 4.43Å; L35-A48 WeakPolarHBondContact CA-O 3.45Å; L35-V63 HydrophobicContact CD2-CG2 3.84Å; L35-M79 HydrophobicContact CB-CB 4.48Å; L35-M79 HydrophobicContact CB-SD 3.83Å; L35-M79 HydrophobicContact CD1-SD 4.39Å; L35-M79 WeakPolarHBondContact O-CB 3.11Å |
| 36 | V | 89.1 | Confident | 80.4 | Confident | 9 Ų | 9 | 67.7 Ų | 67.7 | 6% | 0.055 | 35% | 0.354 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.6 | 164.3 | 179.5 | -66.9 | 0 | 0 | 0 | 0 | 110.2 | V38 A48 I50 V60 I76 | V36-V38 HydrophobicContact CG2-CG1 4.41Å; V36-A48 HydrophobicContact CG2-CB 4.43Å; V36-A48 PolarHBondContact N-O 2.7Å; V36-A48 PolarHBondContact O-N 2.77Å; V36-I50 HydrophobicContact CG1-CD1 3.82Å; V36-I50 HydrophobicContact CG1-CG1 4.31Å; V36-I50 HydrophobicContact CG2-CD1 4.36Å; V36-I50 HydrophobicContact CG2-CG1 3.98Å; V36-V60 HydrophobicContact CG2-CG1 4.47Å; V36-I76 HydrophobicContact CB-CB 4.39Å; V36-I76 HydrophobicContact CG2-CB 4.3Å; V36-I76 HydrophobicContact CG2-CG2 4.07Å |
| 37 | W | 90.8 | Very high | 81.3 | Confident | 12 Ų | 12 | 67 Ų | 67 | 5% | 0.045 | 35% | 0.348 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.3 | 145.8 | 164.1 | -59.4 | 109.6 | 0 | 0 | 0 | 110.1 | F45 E46 A47 Q77 M79 A99 H103 | W37-F45 HydrophobicContact CB-CB 4.45Å; W37-F45 HydrophobicContact CB-CD1 4.49Å; W37-F45 HydrophobicContact CE3-CB 4.47Å; W37-E46 WeakPolarHBondContact CA-O 3.33Å; W37-A47 HydrophobicContact CE3-CB 4.16Å; W37-A47 HydrophobicContact CZ3-CB 3.88Å; W37-Q77 HydrophobicContact CB-CB 4.23Å; W37-Q77 PolarHBondContact N-O 3.42Å; W37-Q77 PolarHBondContact O-N 2.78Å; W37-M79 HydrophobicContact CH2-CE 3.66Å; W37-M79 HydrophobicContact CZ2-CE 3.54Å; W37-M79 HydrophobicContact CZ2-CG 4.15Å; W37-M79 HydrophobicContact CZ3-CE 4.31Å; W37-A99 HydrophobicContact CB-CB 3.46Å; W37-A99 VanDerWaalsContact CB-CB 3.46Å; W37-A99 VanDerWaalsContact CD1-CB 3.48Å; W37-A99 HydrophobicContact CD2-CB 3.92Å; W37-A99 HydrophobicContact CG-CB 3.34Å; W37-H103 HydrophobicContact CH2-CB 4.04Å; W37-H103 AromaticContact CH2-CD2 3.82Å; W37-H103 AromaticContact CH2-CE1 3.9Å; W37-H103 AromaticContact CH2-CG 3.59Å; W37-H103 AromaticContact CH2-ND1 3.64Å; W37-H103 AromaticContact CH2-NE2 3.99Å; W37-H103 HydrophobicContact CZ2-CB 3.86Å; W37-H103 AromaticContact CZ2-CD2 3.47Å; W37-H103 VanDerWaalsContact CZ2-CD2 3.47Å; W37-H103 WeakPolarHBondContact CZ2-CD2 3.34Å; W37-H103 AromaticContact CZ2-CG 3.56Å; W37-H103 AromaticContact CZ2-NE2 3.94Å |
| 38 | V | 90.4 | Very high | 82.2 | Confident | 3 Ų | 3 | 62.4 Ų | 62.4 | 2% | 0.018 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 154.5 | 170.6 | -65 | 0 | 0 | 0 | 0 | 110.8 | V36 F45 E46 A48 V60 L62 V71 I76 | V36-V38 HydrophobicContact CG2-CG1 4.41Å; V38-F45 VanDerWaalsContact O-CA 3.28Å; V38-F45 WeakPolarHBondContact O-CA 3.1Å; V38-E46 PolarHBondContact N-O 3.25Å; V38-E46 PolarHBondContact O-N 3.04Å; V38-A48 HydrophobicContact CG1-CB 4.2Å; V38-A48 HydrophobicContact CG2-CB 3.82Å; V38-V60 HydrophobicContact CG1-CG1 4.26Å; V38-V60 HydrophobicContact CG1-CG2 4.25Å; V38-L62 HydrophobicContact CG2-CD2 3.55Å; V38-V71 HydrophobicContact CG1-CG2 4.25Å; V38-I76 HydrophobicContact CG1-CG2 3.79Å |
| 39 | P | 89.2 | Confident | 83.1 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 45% | 0.448 | 31% | 0.309 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.7 | 143 | 177.1 | -25.3 | 35 | 0 | 0 | 0 | 112.9 | G44 F45 D75 | P39-G44 WeakPolarHBondContact CA-O 3.4Å; P39-F45 HydrophobicContact CG-CE1 4.2Å; P39-D75 HydrophobicContact CG-CB 4.29Å |
| 40 | S | 86.3 | Confident | 83.9 | Confident | 17 Ų | 17 | 56.4 Ų | 56.4 | 12% | 0.119 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.4 | 125.8 | 175.4 | 162 | 0 | 0 | 0 | 0 | 110.8 | K42 Q43 G44 E46 F693 | S40-K42 PolarHBondContact O-N 3.49Å; S40-K42 PolarHBondContact OG-N 3.47Å; S40-K42 VanDerWaalsContact OG-N 3.11Å; S40-Q43 PolarHBondContact O-N 2.75Å; S40-Q43 PolarHBondContact OG-N 2.75Å; S40-Q43 VanDerWaalsContact OG-N 3.14Å; S40-G44 PolarHBondContact N-O 2.65Å; S40-G44 CarbonylContact O-C 3.55Å; S40-G44 WeakPolarHBondContact O-CA 3.03Å; S40-G44 PolarHBondContact O-N 3.26Å; S40-E46 VanDerWaalsContact CB-OE1 3.31Å; S40-E46 WeakPolarHBondContact CB-OE1 3.42Å; S40-E46 PolarHBondContact OG-OE1 3.5Å; S40-F693 VanDerWaalsContact O-CZ 3.23Å; S40-F693 WeakPolarHBondContact O-CZ 3.42Å |
| 41 | E | 84.4 | Confident | 84.8 | Confident | 194 Ų | 194 | 56.2 Ų | 56.2 | 91% | 0.907 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.4 | -12.4 | 172.4 | -64.2 | -177.7 | 157.2 | 0 | 0 | 114.2 | F693 | E41-F693 WeakPolarHBondContact O-CE2 3.42Š|
| 42 | K | 84.3 | Confident | 85.7 | Confident | 162 Ų | 162 | 58.1 Ų | 58.1 | 70% | 0.704 | 29% | 0.287 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.9 | -33 | -175.5 | -173.6 | -174.1 | 173.5 | -164.1 | 0 | 113.8 | S40 | S40-K42 PolarHBondContact O-N 3.49Å; S40-K42 PolarHBondContact OG-N 3.47Å; S40-K42 VanDerWaalsContact OG-N 3.11Å |
| 43 | Q | 83.8 | Confident | 86.5 | Confident | 55 Ų | 55 | 61.9 Ų | 61.9 | 26% | 0.257 | 29% | 0.294 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.8 | 3.5 | -169 | -70.6 | -77.9 | 16.3 | 0 | 0 | 113.3 | S40 F45 E46 R106 A692 | S40-Q43 PolarHBondContact O-N 2.75Å; S40-Q43 PolarHBondContact OG-N 2.75Å; S40-Q43 VanDerWaalsContact OG-N 3.14Å; Q43-F45 PolarHBondContact O-N 2.72Å; Q43-E46 HydrophobicContact CB-CG 3.89Å; Q43-E46 HydrophobicContact CG-CG 3.95Å; Q43-R106 PolarHBondContact O-NH1 2.79Å; Q43-A692 WeakPolarHBondContact O-CB 3.3Å |
| 44 | G | 88.1 | Confident | 87.2 | Confident | 4 Ų | 4 | 57.9 Ų | 57.9 | 4% | 0.041 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | 72 | -60.6 | -167.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | P39 S40 | P39-G44 WeakPolarHBondContact CA-O 3.4Å; S40-G44 PolarHBondContact N-O 2.65Å; S40-G44 CarbonylContact O-C 3.55Å; S40-G44 WeakPolarHBondContact O-CA 3.03Å; S40-G44 PolarHBondContact O-N 3.26Å |
| 45 | F | 90.7 | Very high | 87.3 | Confident | 12 Ų | 12 | 54.5 Ų | 54.5 | 5% | 0.053 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.8 | 137.2 | 172.6 | -66.3 | -85.8 | 0 | 0 | 0 | 111.6 | W37 V38 P39 Q43 E98 A99 L102 R106 L696 | W37-F45 HydrophobicContact CB-CB 4.45Å; W37-F45 HydrophobicContact CB-CD1 4.49Å; W37-F45 HydrophobicContact CE3-CB 4.47Å; V38-F45 VanDerWaalsContact O-CA 3.28Å; V38-F45 WeakPolarHBondContact O-CA 3.1Å; P39-F45 HydrophobicContact CG-CE1 4.2Å; Q43-F45 PolarHBondContact O-N 2.72Å; F45-E98 HydrophobicContact CE2-CB 3.9Å; F45-E98 HydrophobicContact CZ-CB 4.19Å; F45-A99 HydrophobicContact CB-CB 3.69Å; F45-A99 HydrophobicContact CD1-CB 3.83Å; F45-A99 HydrophobicContact CD2-CB 3.82Å; F45-A99 HydrophobicContact CE1-CB 4.43Å; F45-A99 HydrophobicContact CE2-CB 4.41Å; F45-A99 HydrophobicContact CG-CB 3.5Å; F45-L102 HydrophobicContact CD2-CD2 4.23Å; F45-R106 PolarHBondContact O-NH2 2.84Å; F45-L696 HydrophobicContact CD2-CD1 4.02Å; F45-L696 HydrophobicContact CD2-CD2 4.32Å; F45-L696 HydrophobicContact CE2-CD1 3.79Å; F45-L696 HydrophobicContact CE2-CD2 3.88Å |
| 46 | E | 88.6 | Confident | 87.1 | Confident | 16 Ų | 16 | 56.8 Ų | 56.8 | 8% | 0.075 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 152.8 | 174.1 | -89.3 | 169 | -133.5 | 0 | 0 | 111.2 | W37 V38 S40 Q43 L62 | W37-E46 WeakPolarHBondContact CA-O 3.33Å; V38-E46 PolarHBondContact N-O 3.25Å; V38-E46 PolarHBondContact O-N 3.04Å; S40-E46 VanDerWaalsContact CB-OE1 3.31Å; S40-E46 WeakPolarHBondContact CB-OE1 3.42Å; S40-E46 PolarHBondContact OG-OE1 3.5Å; Q43-E46 HydrophobicContact CB-CG 3.89Å; Q43-E46 HydrophobicContact CG-CG 3.95Å; E46-L62 HydrophobicContact CB-CD2 4.25Å |
| 47 | A | 89.1 | Confident | 87 | Confident | 23 Ų | 23 | 61.6 Ų | 61.6 | 19% | 0.19 | 32% | 0.317 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -80 | 134 | 176.6 | 0 | 0 | 0 | 0 | 0 | 110.6 | W37 V63 M79 | W37-A47 HydrophobicContact CE3-CB 4.16Å; W37-A47 HydrophobicContact CZ3-CB 3.88Å; A47-V63 HydrophobicContact CB-CB 4.44Å; A47-V63 HydrophobicContact CB-CG2 4.4Å; A47-V63 WeakPolarHBondContact O-CB 3.08Å; A47-V63 PolarHBondContact O-N 3.17Å; A47-M79 HydrophobicContact CB-CE 3.96Å |
| 48 | A | 89.2 | Confident | 86.8 | Confident | 0 Ų | 0 | 61.1 Ų | 61.1 | 0% | 0 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136 | 156 | -179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L35 V36 V38 V60 E61 L62 | L35-A48 WeakPolarHBondContact CA-O 3.45Å; V36-A48 HydrophobicContact CG2-CB 4.43Å; V36-A48 PolarHBondContact N-O 2.7Å; V36-A48 PolarHBondContact O-N 2.77Å; V38-A48 HydrophobicContact CG1-CB 4.2Å; V38-A48 HydrophobicContact CG2-CB 3.82Å; A48-V60 HydrophobicContact CB-CB 3.96Å; A48-V60 HydrophobicContact CB-CG2 4.38Å; A48-E61 CarbonylContact C-O 3.54Å; A48-E61 VanDerWaalsContact CA-O 3.3Å; A48-E61 WeakPolarHBondContact CA-O 3.06Å; A48-L62 HydrophobicContact CB-CD2 4.13Å |
| 49 | S | 88.9 | Confident | 86.7 | Confident | 23 Ų | 23 | 61.7 Ų | 61.7 | 16% | 0.161 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 121 | 178.2 | -174 | 0 | 0 | 0 | 0 | 110.5 | R34 K51 E61 | R34-S49 CarbonylContact O-C 3.54Å; R34-S49 WeakPolarHBondContact O-CA 3.25Å; S49-K51 PolarHBondContact O-N 2.7Å; S49-K51 WeakPolarHBondContact OG-CE 3.19Å; S49-E61 PolarHBondContact N-O 2.62Å; S49-E61 PolarHBondContact O-N 2.81Å |
| 50 | I | 89 | Confident | 86.8 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 11% | 0.108 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -64.4 | 124.5 | 176.2 | -61.3 | 172.5 | 0 | 0 | 0 | 109.9 | R34 V36 E53 V58 V60 I76 | R34-I50 HydrophobicContact CB-CB 4.47Å; R34-I50 PolarHBondContact NH1-O 2.78Å; R34-I50 PolarHBondContact O-N 3.46Å; V36-I50 HydrophobicContact CG1-CD1 3.82Å; V36-I50 HydrophobicContact CG1-CG1 4.31Å; V36-I50 HydrophobicContact CG2-CD1 4.36Å; V36-I50 HydrophobicContact CG2-CG1 3.98Å; I50-E53 HydrophobicContact CG2-CG 4.17Å; I50-V58 HydrophobicContact CD1-CG1 4.48Å; I50-V58 HydrophobicContact CG1-CG1 4.08Å; I50-V58 HydrophobicContact CG2-CG1 3.88Å; I50-V60 HydrophobicContact CG1-CG1 4.42Å; I50-I76 HydrophobicContact CD1-CD1 4.31Å |
| 51 | K | 89.2 | Confident | 86.9 | Confident | 76 Ų | 76 | 60 Ų | 60 | 33% | 0.33 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107 | -40.5 | 178.7 | -57.5 | -59.3 | 162.1 | 114.7 | 0 | 112.5 | S49 V59 E61 | S49-K51 PolarHBondContact O-N 2.7Å; S49-K51 WeakPolarHBondContact OG-CE 3.19Å; K51-V59 PolarHBondContact N-O 2.78Å; K51-E61 HydrophobicContact CD-CB 4.36Å; K51-E61 WeakPolarHBondContact CE-OE2 3.24Å; K51-E61 HydrophobicContact CG-CB 3.85Å; K51-E61 IonicContact NZ-OE1 3.69Å; K51-E61 PolarHBondContact NZ-OE1 2.61Å; K51-E61 IonicContact NZ-OE2 3.63Å; K51-E61 PolarHBondContact NZ-OE2 2.69Å |
| 52 | E | 85.8 | Confident | 87.1 | Confident | 102 Ų | 102 | 51.6 Ų | 51.6 | 48% | 0.477 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.6 | 138.9 | -174.7 | -159.4 | -177.9 | 178.9 | 0 | 0 | 109.5 | K54 V59 | E52-K54 WeakPolarHBondContact OE1-CE 3.08Å; E52-K54 IonicContact OE1-NZ 3.77Å; E52-K54 PolarHBondContact OE1-NZ 3.35Å; E52-K54 WeakPolarHBondContact OE2-CE 3.21Å; E52-K54 IonicContact OE2-NZ 3.66Å; E52-K54 PolarHBondContact OE2-NZ 2.82Å; E52-V59 HydrophobicContact CB-CB 3.99Å; E52-V59 HydrophobicContact CB-CG2 4.14Å; E52-V59 PolarHBondContact N-O 3.19Å; E52-V59 PolarHBondContact O-N 3.44Å |
| 53 | E | 84.7 | Confident | 87 | Confident | 138 Ų | 138 | 48.2 Ų | 48.2 | 65% | 0.645 | 26% | 0.257 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 139.3 | 174.9 | -69.9 | 175.4 | 172 | 0 | 0 | 109.4 | I50 V58 | I50-E53 HydrophobicContact CG2-CG 4.17Å; E53-V58 HydrophobicContact CG-CG1 4.27Å; E53-V58 HydrophobicContact CG-CG2 4.47Å |
| 54 | K | 83.1 | Confident | 86.8 | Confident | 105 Ų | 105 | 51.9 Ų | 51.9 | 46% | 0.457 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.2 | 57.2 | -171.5 | -64.9 | -173.2 | -178.5 | 173.3 | 0 | 111.3 | E52 D56 E57 V59 | E52-K54 WeakPolarHBondContact OE1-CE 3.08Å; E52-K54 IonicContact OE1-NZ 3.77Å; E52-K54 PolarHBondContact OE1-NZ 3.35Å; E52-K54 WeakPolarHBondContact OE2-CE 3.21Å; E52-K54 IonicContact OE2-NZ 3.66Å; E52-K54 PolarHBondContact OE2-NZ 2.82Å; K54-D56 PolarHBondContact O-N 3.14Å; K54-E57 CarbonylContact C-O 3.29Å; K54-E57 WeakPolarHBondContact CA-O 3.14Å; K54-E57 HydrophobicContact CB-CB 4.38Å; K54-E57 PolarHBondContact N-O 2.79Å; K54-E57 PolarHBondContact O-N 3.34Å; K54-V59 HydrophobicContact CD-CG2 4.12Å |
| 55 | G | 83.3 | Confident | 86.5 | Confident | 60 Ų | 60 | 56.1 Ų | 56.1 | 62% | 0.619 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.6 | -114.3 | -174.6 | 0 | 0 | 0 | 0 | 0 | 110.4 | E57 | G55-E57 VanDerWaalsContact C-N 3.28Å; G55-E57 PolarHBondContact O-N 2.81Å |
| 56 | D | 82 | Confident | 86.1 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 49% | 0.492 | 32% | 0.315 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.6 | -9.2 | -179.9 | -65.8 | 9.8 | 0 | 0 | 0 | 113.1 | K54 K73 K1422 | K54-D56 PolarHBondContact O-N 3.14Å; D56-K73 VanDerWaalsContact O-CB 3.28Å; D56-K73 WeakPolarHBondContact O-CB 3.47Å; D56-K73 PolarHBondContact O-N 2.71Å; D56-K1422 IonicContact OD2-NZ 2.79Å; D56-K1422 PolarHBondContact OD2-NZ 2.93Å |
| 57 | E | 85.3 | Confident | 86 | Confident | 109 Ų | 109 | 63.1 Ų | 63.1 | 51% | 0.509 | 34% | 0.339 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 144.5 | 176.9 | -72.3 | -172 | 168.1 | 0 | 0 | 112.2 | K54 G55 T70 V71 | K54-E57 CarbonylContact C-O 3.29Å; K54-E57 WeakPolarHBondContact CA-O 3.14Å; K54-E57 HydrophobicContact CB-CB 4.38Å; K54-E57 PolarHBondContact N-O 2.79Å; K54-E57 PolarHBondContact O-N 3.34Å; G55-E57 VanDerWaalsContact C-N 3.28Å; G55-E57 PolarHBondContact O-N 2.81Å; E57-T70 HydrophobicContact CB-CG2 3.72Å; E57-T70 HydrophobicContact CG-CG2 4.09Å; E57-T70 WeakPolarHBondContact OE2-CG2 3.42Å; E57-V71 WeakPolarHBondContact CA-O 3.43Å |
| 58 | V | 86.8 | Confident | 86 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.018 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 126 | 177.6 | -173.3 | 0 | 0 | 0 | 0 | 110.3 | I50 E53 V60 T70 V71 K73 I76 | I50-V58 HydrophobicContact CD1-CG1 4.48Å; I50-V58 HydrophobicContact CG1-CG1 4.08Å; I50-V58 HydrophobicContact CG2-CG1 3.88Å; E53-V58 HydrophobicContact CG-CG1 4.27Å; E53-V58 HydrophobicContact CG-CG2 4.47Å; V58-V60 HydrophobicContact CG1-CG1 3.92Å; V58-V60 PolarHBondContact O-N 3.37Å; V58-T70 WeakPolarHBondContact O-CA 3.02Å; V58-V71 HydrophobicContact CB-CG2 4.49Å; V58-V71 PolarHBondContact N-O 3.32Å; V58-V71 PolarHBondContact O-N 2.85Å; V58-K73 HydrophobicContact CG2-CB 4.2Å; V58-K73 HydrophobicContact CG2-CG 4.49Å; V58-I76 HydrophobicContact CG2-CD1 4.08Å |
| 59 | V | 89.7 | Confident | 85.9 | Confident | 15 Ų | 15 | 70.2 Ų | 70.2 | 9% | 0.091 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.9 | 106.2 | 173.4 | -172.4 | 0 | 0 | 0 | 0 | 108.9 | K51 E52 K54 | K51-V59 PolarHBondContact N-O 2.78Å; E52-V59 HydrophobicContact CB-CB 3.99Å; E52-V59 HydrophobicContact CB-CG2 4.14Å; E52-V59 PolarHBondContact N-O 3.19Å; E52-V59 PolarHBondContact O-N 3.44Å; K54-V59 HydrophobicContact CD-CG2 4.12Å |
| 60 | V | 89.5 | Confident | 85.9 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.383 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105 | 154.3 | 179.6 | -63.1 | 0 | 0 | 0 | 0 | 111 | V36 V38 A48 I50 V58 K68 V69 V71 I76 | V36-V60 HydrophobicContact CG2-CG1 4.47Å; V38-V60 HydrophobicContact CG1-CG1 4.26Å; V38-V60 HydrophobicContact CG1-CG2 4.25Å; A48-V60 HydrophobicContact CB-CB 3.96Å; A48-V60 HydrophobicContact CB-CG2 4.38Å; I50-V60 HydrophobicContact CG1-CG1 4.42Å; V58-V60 HydrophobicContact CG1-CG1 3.92Å; V58-V60 PolarHBondContact O-N 3.37Å; V60-K68 CarbonylContact O-C 3.56Å; V60-K68 VanDerWaalsContact O-CA 3.28Å; V60-K68 WeakPolarHBondContact O-CA 3.27Å; V60-V69 HydrophobicContact CG2-CB 4.29Å; V60-V69 WeakPolarHBondContact CG2-O 3.12Å; V60-V69 PolarHBondContact N-O 3.47Å; V60-V69 PolarHBondContact O-N 2.89Å; V60-V69 VanDerWaalsContact O-O 3.13Å; V60-V71 HydrophobicContact CG1-CG2 3.99Å; V60-V71 HydrophobicContact CG2-CG1 4.11Å; V60-V71 HydrophobicContact CG2-CG2 3.98Å; V60-I76 HydrophobicContact CG1-CG2 4.09Å |
| 61 | E | 90 | Very high | 85.9 | Confident | 49 Ų | 49 | 72.8 Ų | 72.8 | 23% | 0.229 | 39% | 0.385 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.3 | 115.9 | 173.6 | -166.1 | -178.1 | 101 | 0 | 0 | 109 | A48 S49 K51 V63 K67 K68 | A48-E61 CarbonylContact C-O 3.54Å; A48-E61 VanDerWaalsContact CA-O 3.3Å; A48-E61 WeakPolarHBondContact CA-O 3.06Å; S49-E61 PolarHBondContact N-O 2.62Å; S49-E61 PolarHBondContact O-N 2.81Å; K51-E61 HydrophobicContact CD-CB 4.36Å; K51-E61 WeakPolarHBondContact CE-OE2 3.24Å; K51-E61 HydrophobicContact CG-CB 3.85Å; K51-E61 IonicContact NZ-OE1 3.69Å; K51-E61 PolarHBondContact NZ-OE1 2.61Å; K51-E61 IonicContact NZ-OE2 3.63Å; K51-E61 PolarHBondContact NZ-OE2 2.69Å; E61-V63 PolarHBondContact O-N 3.29Å; E61-K67 WeakPolarHBondContact CA-O 3.28Å; E61-K68 HydrophobicContact CB-CG 4.07Å; E61-K68 HydrophobicContact CG-CG 3.83Å; E61-K68 WeakPolarHBondContact OE2-CE 3.46Å; E61-K68 IonicContact OE2-NZ 2.77Å |
| 62 | L | 86.9 | Confident | 85.7 | Confident | 19 Ų | 19 | 70.3 Ų | 70.3 | 10% | 0.099 | 38% | 0.381 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -63.8 | 124.3 | -178.7 | -64.3 | 177.4 | 0 | 0 | 0 | 110.1 | V38 E46 A48 E64 N65 G66 K67 | V38-L62 HydrophobicContact CG2-CD2 3.55Å; E46-L62 HydrophobicContact CB-CD2 4.25Å; A48-L62 HydrophobicContact CB-CD2 4.13Å; L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 2.7Å; L62-N65 WeakPolarHBondContact CB-OD1 3.18Å; L62-N65 WeakPolarHBondContact CD1-ND2 3.32Å; L62-N65 PolarHBondContact O-N 2.68Å; L62-G66 VanDerWaalsContact O-CA 3.31Å; L62-G66 WeakPolarHBondContact O-CA 3.04Å; L62-G66 PolarHBondContact O-N 2.79Å; L62-K67 HydrophobicContact CD1-CB 4.36Å; L62-K67 PolarHBondContact N-O 2.82Å |
| 63 | V | 83.8 | Confident | 85.6 | Confident | 90 Ų | 90 | 69.3 Ų | 69.3 | 55% | 0.545 | 38% | 0.375 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -67.2 | -33 | -174.1 | 177.4 | 0 | 0 | 0 | 0 | 111.7 | L35 A47 E61 | L35-V63 HydrophobicContact CD2-CG2 3.84Å; A47-V63 HydrophobicContact CB-CB 4.44Å; A47-V63 HydrophobicContact CB-CG2 4.4Å; A47-V63 WeakPolarHBondContact O-CB 3.08Å; A47-V63 PolarHBondContact O-N 3.17Å; E61-V63 PolarHBondContact O-N 3.29Å |
| 64 | E | 78.6 | Confident | 85.4 | Confident | 133 Ų | 133 | 66.4 Ų | 66.4 | 62% | 0.621 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -78.2 | -20.8 | -174.4 | -159.6 | 176.1 | 178.8 | 0 | 0 | 113.5 | L62 | L62-E64 VanDerWaalsContact C-N 3.31Å; L62-E64 PolarHBondContact O-N 2.7Å |
| 65 | N | 82.8 | Confident | 85.5 | Confident | 92 Ų | 92 | 64.8 Ų | 64.8 | 49% | 0.492 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -140.5 | -3 | -174.1 | 64.2 | 56.8 | 0 | 0 | 0 | 115.7 | L62 K67 | L62-N65 WeakPolarHBondContact CB-OD1 3.18Å; L62-N65 WeakPolarHBondContact CD1-ND2 3.32Å; L62-N65 PolarHBondContact O-N 2.68Å; N65-K67 PolarHBondContact O-N 3.12Å; N65-K67 WeakPolarHBondContact OD1-CB 3.02Å; N65-K67 PolarHBondContact OD1-N 3.08Å |
| 66 | G | 82.7 | Confident | 85.7 | Confident | 45 Ų | 45 | 63.7 Ų | 63.7 | 46% | 0.464 | 34% | 0.34 | S | S | . | . | trans | 71.8 | 1.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 115.8 | L62 K68 | L62-G66 VanDerWaalsContact O-CA 3.31Å; L62-G66 WeakPolarHBondContact O-CA 3.04Å; L62-G66 PolarHBondContact O-N 2.79Å; G66-K68 PolarHBondContact O-N 3.46Å | ||
| 67 | K | 86.2 | Confident | 85.9 | Confident | 130 Ų | 130 | 61.2 Ų | 61.2 | 57% | 0.565 | 33% | 0.325 | S | S | * | . | trans | -68.8 | 126.1 | 179.9 | -173.7 | -172.6 | 177.5 | -169.1 | 0 | 110.1 | E61 L62 N65 V69 | E61-K67 WeakPolarHBondContact CA-O 3.28Å; L62-K67 HydrophobicContact CD1-CB 4.36Å; L62-K67 PolarHBondContact N-O 2.82Å; N65-K67 PolarHBondContact O-N 3.12Å; N65-K67 WeakPolarHBondContact OD1-CB 3.02Å; N65-K67 PolarHBondContact OD1-N 3.08Å; K67-V69 HydrophobicContact CD-CG2 3.93Å; K67-V69 HydrophobicContact CG-CG2 3.97Å | ||
| 68 | K | 88.6 | Confident | 85.9 | Confident | 128 Ų | 128 | 59.3 Ų | 59.3 | 56% | 0.557 | 32% | 0.315 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -80.3 | 134.5 | 166.2 | -69 | -175.5 | 178.7 | -179.1 | 0 | 110.5 | V60 E61 G66 | V60-K68 CarbonylContact O-C 3.56Å; V60-K68 VanDerWaalsContact O-CA 3.28Å; V60-K68 WeakPolarHBondContact O-CA 3.27Å; E61-K68 HydrophobicContact CB-CG 4.07Å; E61-K68 HydrophobicContact CG-CG 3.83Å; E61-K68 WeakPolarHBondContact OE2-CE 3.46Å; E61-K68 IonicContact OE2-NZ 2.77Å; G66-K68 PolarHBondContact O-N 3.46Å |
| 69 | V | 87.9 | Confident | 85.8 | Confident | 45 Ų | 45 | 61 Ų | 61 | 27% | 0.273 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.6 | 144.5 | 179.5 | -173.3 | 0 | 0 | 0 | 0 | 107.5 | V60 K67 V71 | V60-V69 HydrophobicContact CG2-CB 4.29Å; V60-V69 WeakPolarHBondContact CG2-O 3.12Å; V60-V69 PolarHBondContact N-O 3.47Å; V60-V69 PolarHBondContact O-N 2.89Å; V60-V69 VanDerWaalsContact O-O 3.13Å; K67-V69 HydrophobicContact CD-CG2 3.93Å; K67-V69 HydrophobicContact CG-CG2 3.97Å; V69-V71 HydrophobicContact CG1-CG1 4.04Å |
| 70 | T | 89.1 | Confident | 85.4 | Confident | 72 Ų | 72 | 61 Ų | 61 | 44% | 0.442 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 129.2 | 167 | -50.4 | 0 | 0 | 0 | 0 | 108 | E57 V58 | E57-T70 HydrophobicContact CB-CG2 3.72Å; E57-T70 HydrophobicContact CG-CG2 4.09Å; E57-T70 WeakPolarHBondContact OE2-CG2 3.42Å; V58-T70 WeakPolarHBondContact O-CA 3.02Å |
| 71 | V | 87.8 | Confident | 84.8 | Confident | 25 Ų | 25 | 61.5 Ų | 61.5 | 15% | 0.152 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 163.9 | 179.5 | -62 | 0 | 0 | 0 | 0 | 109.9 | V38 E57 V58 V60 V69 D75 I76 | V38-V71 HydrophobicContact CG1-CG2 4.25Å; E57-V71 WeakPolarHBondContact CA-O 3.43Å; V58-V71 HydrophobicContact CB-CG2 4.49Å; V58-V71 PolarHBondContact N-O 3.32Å; V58-V71 PolarHBondContact O-N 2.85Å; V60-V71 HydrophobicContact CG1-CG2 3.99Å; V60-V71 HydrophobicContact CG2-CG1 4.11Å; V60-V71 HydrophobicContact CG2-CG2 3.98Å; V69-V71 HydrophobicContact CG1-CG1 4.04Å; V71-D75 HydrophobicContact CB-CB 4.16Å; V71-D75 HydrophobicContact CG2-CB 4.45Å; V71-I76 HydrophobicContact CG2-CG2 3.82Å |
| 72 | G | 86.1 | Confident | 84.1 | Confident | 24 Ų | 24 | 61.3 Ų | 61.3 | 25% | 0.247 | 33% | 0.329 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -66 | 150.3 | 171.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | D74 D75 | G72-D74 PolarHBondContact O-N 2.65Å; G72-D75 WeakPolarHBondContact CA-OD2 3.39Å; G72-D75 PolarHBondContact N-OD2 2.68Å; G72-D75 WeakPolarHBondContact O-CB 3.05Å; G72-D75 PolarHBondContact O-N 2.73Å |
| 73 | K | 82.8 | Confident | 83.4 | Confident | 82 Ų | 82 | 65 Ų | 65 | 36% | 0.357 | 34% | 0.344 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.3 | -23.8 | 171.6 | -176.5 | -177 | 164.4 | -128.1 | 0 | 112.2 | D56 V58 I76 | D56-K73 VanDerWaalsContact O-CB 3.28Å; D56-K73 WeakPolarHBondContact O-CB 3.47Å; D56-K73 PolarHBondContact O-N 2.71Å; V58-K73 HydrophobicContact CG2-CB 4.2Å; V58-K73 HydrophobicContact CG2-CG 4.49Å; K73-I76 WeakPolarHBondContact O-CG1 3.02Å |
| 74 | D | 80.8 | Confident | 83.1 | Confident | 77 Ų | 77 | 62.1 Ų | 62.1 | 41% | 0.412 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.8 | -19.6 | 176.5 | -51.3 | -43.3 | 0 | 0 | 0 | 112.9 | G72 L1429 | G72-D74 PolarHBondContact O-N 2.65Å; D74-L1429 HydrophobicContact CB-CD2 4.18Å; D74-L1429 WeakPolarHBondContact OD1-CD2 2.98Å |
| 75 | D | 84.9 | Confident | 83.3 | Confident | 70 Ų | 70 | 57.4 Ų | 57.4 | 37% | 0.374 | 31% | 0.306 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -20.1 | 178.8 | -65.4 | -52.1 | 0 | 0 | 0 | 113.2 | P39 V71 G72 Q77 | P39-D75 HydrophobicContact CG-CB 4.29Å; V71-D75 HydrophobicContact CB-CB 4.16Å; V71-D75 HydrophobicContact CG2-CB 4.45Å; G72-D75 WeakPolarHBondContact CA-OD2 3.39Å; G72-D75 PolarHBondContact N-OD2 2.68Å; G72-D75 WeakPolarHBondContact O-CB 3.05Å; G72-D75 PolarHBondContact O-N 2.73Å; D75-Q77 PolarHBondContact O-N 2.71Å |
| 76 | I | 86.7 | Confident | 83.5 | Confident | 38 Ų | 38 | 56.1 Ų | 56.1 | 20% | 0.195 | 30% | 0.296 | C | S | . | . | trans | -87.3 | 107.1 | -172.1 | 51.5 | 154.1 | 0 | 0 | 0 | 113.1 | V36 V38 I50 V58 V60 V71 K73 | V36-I76 HydrophobicContact CB-CB 4.39Å; V36-I76 HydrophobicContact CG2-CB 4.3Å; V36-I76 HydrophobicContact CG2-CG2 4.07Å; V38-I76 HydrophobicContact CG1-CG2 3.79Å; I50-I76 HydrophobicContact CD1-CD1 4.31Å; V58-I76 HydrophobicContact CG2-CD1 4.08Å; V60-I76 HydrophobicContact CG1-CG2 4.09Å; V71-I76 HydrophobicContact CG2-CG2 3.82Å; K73-I76 WeakPolarHBondContact O-CG1 3.02Å | ||
| 77 | Q | 87.2 | Confident | 83.7 | Confident | 39 Ų | 39 | 54.7 Ų | 54.7 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.3 | 126.1 | 178.3 | -53.1 | -175.4 | 4.6 | 0 | 0 | 111.6 | W37 D75 M79 N97 A99 | W37-Q77 HydrophobicContact CB-CB 4.23Å; W37-Q77 PolarHBondContact N-O 3.42Å; W37-Q77 PolarHBondContact O-N 2.78Å; D75-Q77 PolarHBondContact O-N 2.71Å; Q77-M79 PolarHBondContact O-N 2.83Å; Q77-N97 HydrophobicContact CB-CB 4.32Å; Q77-A99 VanDerWaalsContact OE1-CB 3.31Å |
| 78 | K | 84.6 | Confident | 83.8 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 30% | 0.304 | 26% | 0.262 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -53.9 | 127.4 | 179.9 | -66.2 | 177 | -179 | 169.2 | 0 | 111.8 | C95 N97 V1433 D1437 | K78-C95 WeakPolarHBondContact O-CB 2.87Å; K78-C95 PolarHBondContact O-SG 3.12Å; K78-N97 PolarHBondContact O-ND2 2.66Å; K78-V1433 VanDerWaalsContact NZ-CG1 3.34Å; K78-D1437 IonicContact NZ-OD2 3.96Å; K78-D1437 PolarHBondContact NZ-OD2 2.94Å |
| 79 | M | 84.4 | Confident | 83.8 | Confident | 37 Ų | 37 | 45.3 Ų | 45.3 | 18% | 0.182 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -80.2 | 138.2 | 179.9 | -163.7 | -175.3 | -154.6 | 0 | 0 | 112.1 | W30 L35 W37 A47 Q77 | W30-M79 PolarHBondContact NE1-O 2.8Å; L35-M79 HydrophobicContact CB-CB 4.48Å; L35-M79 HydrophobicContact CB-SD 3.83Å; L35-M79 HydrophobicContact CD1-SD 4.39Å; L35-M79 WeakPolarHBondContact O-CB 3.11Å; W37-M79 HydrophobicContact CH2-CE 3.66Å; W37-M79 HydrophobicContact CZ2-CE 3.54Å; W37-M79 HydrophobicContact CZ2-CG 4.15Å; W37-M79 HydrophobicContact CZ3-CE 4.31Å; A47-M79 HydrophobicContact CB-CE 3.96Å; Q77-M79 PolarHBondContact O-N 2.83Å |
| 80 | N | 81.9 | Confident | 83.7 | Confident | 17 Ų | 17 | 43.1 Ų | 43.1 | 9% | 0.091 | 23% | 0.226 | C | C | . | . | P | Polyproline II helix | trans | -69.7 | 150.5 | 175.2 | -91.1 | -71.7 | 0 | 0 | 0 | 112.6 | W30 T94 C95 S100 | W30-N80 PolarHBondContact NE1-O 3.49Å; N80-T94 PolarHBondContact OD1-N 3.21Å; N80-T94 PolarHBondContact OD1-OG1 3.4Å; N80-C95 WeakPolarHBondContact ND2-CB 3.34Å; N80-C95 PolarHBondContact ND2-O 2.72Å; N80-C95 PolarHBondContact OD1-N 3.25Å; N80-S100 VanDerWaalsContact ND2-CB 3.26Å; N80-S100 WeakPolarHBondContact ND2-CB 3.26Å; N80-S100 PolarHBondContact ND2-OG 2.73Å |
| 81 | P | 76.6 | Confident | 83.3 | Confident | 10 Ų | 10 | 40.5 Ų | 40.5 | 7% | 0.065 | 21% | 0.211 | C | C | . | . | P | Polyproline II helix | trans | -54.7 | 138.7 | 167.1 | -19.5 | 25.6 | 0 | 0 | 0 | 112.2 | W30 K83 F84 T94 | W30-P81 HydrophobicContact CD2-CB 4.16Å; W30-P81 HydrophobicContact CD2-CG 4.32Å; W30-P81 HydrophobicContact CE3-CB 4.32Å; W30-P81 HydrophobicContact CE3-CG 4.47Å; W30-P81 HydrophobicContact CH2-CB 4.46Å; W30-P81 HydrophobicContact CH2-CG 3.77Å; W30-P81 HydrophobicContact CZ2-CB 4.29Å; W30-P81 HydrophobicContact CZ2-CG 3.55Å; W30-P81 HydrophobicContact CZ3-CB 4.47Å; W30-P81 HydrophobicContact CZ3-CG 4.22Å; P81-K83 HydrophobicContact CB-CG 3.76Å; P81-K83 PolarHBondContact O-N 3.12Å; P81-F84 HydrophobicContact CB-CD2 4.1Å; P81-F84 HydrophobicContact CG-CD2 3.94Å; P81-F84 HydrophobicContact CG-CE2 4.05Å; P81-F84 PolarHBondContact O-N 2.78Å; P81-T94 WeakPolarHBondContact CD-OG1 3.09Å |
| 82 | P | 75.7 | Confident | 82.9 | Confident | 45 Ų | 45 | 44.9 Ų | 44.9 | 29% | 0.292 | 23% | 0.23 | S | C | . | . | G | 310 helix | trans | -55.5 | -23.1 | 177.9 | -30 | 36.5 | 0 | 0 | 0 | 115.3 | A26 W30 F84 S85 | A26-P82 HydrophobicContact CB-CB 4.24Å; A26-P82 HydrophobicContact CB-CG 4.1Å; W30-P82 HydrophobicContact CB-CG 4.25Å; P82-F84 PolarHBondContact O-N 2.97Å; P82-F84 VanDerWaalsContact O-N 3.08Å; P82-S85 VanDerWaalsContact O-CB 3.28Å; P82-S85 WeakPolarHBondContact O-CB 3.27Å; P82-S85 PolarHBondContact O-N 3.3Å |
| 83 | K | 72.7 | Confident | 82.5 | Confident | 97 Ų | 97 | 43.9 Ų | 43.9 | 42% | 0.422 | 22% | 0.219 | S | C | . | . | G | 310 helix | trans | -61.4 | -11.3 | 172.7 | 64.4 | 141.9 | 180 | 154.1 | 0 | 115.1 | P81 | P81-K83 HydrophobicContact CB-CG 3.76Å; P81-K83 PolarHBondContact O-N 3.12Å |
| 84 | F | 78.1 | Confident | 82 | Confident | 28 Ų | 28 | 41.7 Ų | 41.7 | 12% | 0.123 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | -107.1 | 9.9 | 173.9 | -63.5 | -70.5 | 0 | 0 | 0 | 113.3 | P81 P82 K86 V87 E92 L93 T94 | P81-F84 HydrophobicContact CB-CD2 4.1Å; P81-F84 HydrophobicContact CG-CD2 3.94Å; P81-F84 HydrophobicContact CG-CE2 4.05Å; P81-F84 PolarHBondContact O-N 2.78Å; P82-F84 PolarHBondContact O-N 2.97Å; P82-F84 VanDerWaalsContact O-N 3.08Å; F84-K86 PolarHBondContact O-N 2.68Å; F84-V87 HydrophobicContact CD1-CG2 4.44Å; F84-V87 WeakPolarHBondContact O-CB 3.27Å; F84-V87 PolarHBondContact O-N 2.74Å; F84-E92 HydrophobicContact CE1-CB 4.49Å; F84-E92 WeakPolarHBondContact CE1-O 3.37Å; F84-L93 HydrophobicContact CB-CD2 4.19Å; F84-T94 HydrophobicContact CE2-CG2 3.55Å; F84-T94 VanDerWaalsContact CE2-OG1 3.24Å; F84-T94 WeakPolarHBondContact CE2-OG1 3.28Å; F84-T94 HydrophobicContact CZ-CG2 3.83Å |
| 85 | S | 81.3 | Confident | 81.8 | Confident | 34 Ų | 34 | 38.2 Ų | 38.2 | 24% | 0.238 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.6 | 134.7 | 167.2 | 169.4 | 0 | 0 | 0 | 0 | 109.8 | P82 V87 E107 | P82-S85 VanDerWaalsContact O-CB 3.28Å; P82-S85 WeakPolarHBondContact O-CB 3.27Å; P82-S85 PolarHBondContact O-N 3.3Å; S85-V87 PolarHBondContact O-N 2.83Å; S85-E107 WeakPolarHBondContact CB-OE2 3.3Å; S85-E107 PolarHBondContact OG-OE2 2.96Å |
| 86 | K | 87.1 | Confident | 81.7 | Confident | 66 Ų | 66 | 36.2 Ų | 36.2 | 29% | 0.287 | 18% | 0.183 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 25.5 | -178.7 | -56 | 175.6 | -169.3 | -170.2 | 0 | 115.7 | V16 F84 N104 E107 R108 S111 | V16-K86 HydrophobicContact CG1-CB 3.97Å; V16-K86 HydrophobicContact CG1-CD 4.4Å; V16-K86 HydrophobicContact CG2-CB 4.45Å; F84-K86 PolarHBondContact O-N 2.68Å; K86-N104 WeakPolarHBondContact CA-OD1 3.13Å; K86-N104 PolarHBondContact N-OD1 2.64Å; K86-E107 HydrophobicContact CG-CB 3.74Å; K86-E107 PolarHBondContact N-OE2 3.31Å; K86-R108 HydrophobicContact CB-CG 3.99Å; K86-R108 HydrophobicContact CG-CG 4.35Å; K86-R108 PolarHBondContact O-NH1 2.77Å; K86-S111 WeakPolarHBondContact CD-OG 3.13Å; K86-S111 VanDerWaalsContact CE-OG 3.25Å; K86-S111 WeakPolarHBondContact CE-OG 3.49Å; K86-S111 PolarHBondContact NZ-OG 2.78Å |
| 87 | V | 87.8 | Confident | 81.6 | Confident | 14 Ų | 14 | 35.6 Ų | 35.6 | 9% | 0.085 | 18% | 0.18 | C | C | . | . | trans | -53.2 | 141.6 | -178.9 | 71.3 | 0 | 0 | 0 | 0 | 113 | F84 S85 E92 L93 N104 R108 | F84-V87 HydrophobicContact CD1-CG2 4.44Å; F84-V87 WeakPolarHBondContact O-CB 3.27Å; F84-V87 PolarHBondContact O-N 2.74Å; S85-V87 PolarHBondContact O-N 2.83Å; V87-E92 HydrophobicContact CG2-CB 4.01Å; V87-E92 VanDerWaalsContact CG2-OE2 3.26Å; V87-E92 WeakPolarHBondContact CG2-OE2 3.23Å; V87-L93 HydrophobicContact CG1-CD2 3.57Å; V87-L93 HydrophobicContact CG1-CG 3.9Å; V87-N104 PolarHBondContact N-OD1 3.36Å; V87-N104 PolarHBondContact O-ND2 2.68Å; V87-R108 WeakPolarHBondContact O-CD 3.36Å | ||
| 88 | E | 88.9 | Confident | 81.6 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 22% | 0.22 | 18% | 0.18 | C | C | . | . | S | Bend | trans | -80.7 | -32.7 | -169.4 | -68.6 | 173.6 | -127.9 | 0 | 0 | 112.8 | V16 K18 Y117 P152 | V16-E88 HydrophobicContact CG2-CG 3.99Å; K18-E88 WeakPolarHBondContact CE-OE1 3.42Å; K18-E88 IonicContact NZ-OE1 2.63Å; K18-E88 PolarHBondContact NZ-OE1 2.67Å; E88-Y117 PolarHBondContact O-N 2.78Å; E88-P152 HydrophobicContact CB-CG 3.91Å; E88-P152 HydrophobicContact CG-CG 4.5Å; E88-P152 WeakPolarHBondContact O-CG 2.98Å |
| 89 | D | 87 | Confident | 81.9 | Confident | 14 Ų | 14 | 32.2 Ų | 32.2 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | B | Isolated β-bridge | trans | -120.1 | 126.9 | 166.8 | -161.3 | -40.8 | 0 | 0 | 0 | 111.2 | A91 E92 Y117 S118 G119 R147 | D89-A91 PolarHBondContact O-N 3.47Å; D89-A91 WeakPolarHBondContact OD1-CB 3.43Å; D89-A91 PolarHBondContact OD1-N 2.71Å; D89-E92 HydrophobicContact CB-CG 4.5Å; D89-E92 PolarHBondContact O-N 2.68Å; D89-Y117 VanDerWaalsContact CG-CB 3.42Å; D89-Y117 WeakPolarHBondContact OD2-CB 2.89Å; D89-S118 WeakPolarHBondContact OD1-CA 3.31Å; D89-S118 PolarHBondContact OD1-N 3.34Å; D89-G119 PolarHBondContact OD1-N 3.45Å; D89-R147 IonicContact OD2-NH2 2.63Å; D89-R147 PolarHBondContact OD2-NH2 3.44Å |
| 90 | M | 86.7 | Confident | 82.2 | Confident | 0 Ų | 0 | 30.6 Ų | 30.6 | 0% | 0 | 16% | 0.158 | C | C | . | . | G | 310 helix | trans | -73 | -10.4 | -179 | -64.5 | -167.6 | -67.2 | 0 | 0 | 113.8 | E92 L93 V101 N104 L105 T116 Y117 S118 V123 I708 | M90-E92 PolarHBondContact O-N 2.71Å; M90-L93 HydrophobicContact CB-CD1 3.98Å; M90-L93 HydrophobicContact CG-CD1 4.2Å; M90-L93 WeakPolarHBondContact O-CB 3.45Å; M90-L93 PolarHBondContact O-N 2.65Å; M90-V101 HydrophobicContact CE-CG1 4.06Å; M90-V101 HydrophobicContact SD-CB 4.47Å; M90-V101 HydrophobicContact SD-CG1 3.91Å; M90-N104 WeakPolarHBondContact CG-ND2 3.49Å; M90-N104 HydrophobicContact SD-CB 4.33Å; M90-L105 HydrophobicContact CE-CD1 4.14Å; M90-L105 HydrophobicContact CE-CD2 3.92Å; M90-L105 HydrophobicContact CE-CG 4.07Å; M90-L105 HydrophobicContact SD-CD1 4.43Å; M90-L105 HydrophobicContact SD-CD2 4.15Å; M90-L105 HydrophobicContact SD-CG 3.94Å; M90-T116 HydrophobicContact CE-CG2 4.34Å; M90-T116 HydrophobicContact CG-CG2 3.88Å; M90-T116 HydrophobicContact SD-CG2 4.23Å; M90-Y117 PolarHBondContact N-O 2.66Å; M90-S118 WeakPolarHBondContact CE-OG 3.04Å; M90-V123 HydrophobicContact CE-CG2 4.24Å; M90-I708 HydrophobicContact CB-CD1 3.86Å; M90-I708 HydrophobicContact CE-CD1 4.2Å |
| 91 | A | 81.4 | Confident | 82.6 | Confident | 16 Ų | 16 | 29.9 Ų | 29.9 | 13% | 0.132 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -64.3 | -24.4 | 168.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | D89 L93 I708 | D89-A91 PolarHBondContact O-N 3.47Å; D89-A91 WeakPolarHBondContact OD1-CB 3.43Å; D89-A91 PolarHBondContact OD1-N 2.71Å; A91-L93 VanDerWaalsContact C-N 3.33Å; A91-I708 HydrophobicContact CB-CG2 4.35Å |
| 92 | E | 77.5 | Confident | 83.4 | Confident | 117 Ų | 117 | 29.4 Ų | 29.4 | 55% | 0.547 | 15% | 0.151 | S | C | . | . | G | 310 helix | trans | -77.4 | -14.7 | 179.4 | -61.7 | -178.9 | -178.5 | 0 | 0 | 113.9 | F84 V87 D89 M90 T94 | F84-E92 HydrophobicContact CE1-CB 4.49Å; F84-E92 WeakPolarHBondContact CE1-O 3.37Å; V87-E92 HydrophobicContact CG2-CB 4.01Å; V87-E92 VanDerWaalsContact CG2-OE2 3.26Å; V87-E92 WeakPolarHBondContact CG2-OE2 3.23Å; D89-E92 HydrophobicContact CB-CG 4.5Å; D89-E92 PolarHBondContact O-N 2.68Å; M90-E92 PolarHBondContact O-N 2.71Å; E92-T94 PolarHBondContact O-N 2.67Å; E92-T94 VanDerWaalsContact O-N 3.15Å |
| 93 | L | 78 | Confident | 84.1 | Confident | 4 Ų | 4 | 29.6 Ų | 29.6 | 2% | 0.021 | 15% | 0.148 | C | C | . | . | trans | -61.9 | 114.6 | -175.1 | -72.6 | 173.2 | 0 | 0 | 0 | 111.8 | F84 V87 M90 A91 C95 V101 R712 | F84-L93 HydrophobicContact CB-CD2 4.19Å; V87-L93 HydrophobicContact CG1-CD2 3.57Å; V87-L93 HydrophobicContact CG1-CG 3.9Å; M90-L93 HydrophobicContact CB-CD1 3.98Å; M90-L93 HydrophobicContact CG-CD1 4.2Å; M90-L93 WeakPolarHBondContact O-CB 3.45Å; M90-L93 PolarHBondContact O-N 2.65Å; A91-L93 VanDerWaalsContact C-N 3.33Å; L93-C95 PolarHBondContact O-N 2.75Å; L93-C95 VanDerWaalsContact O-N 3.16Å; L93-V101 HydrophobicContact CD1-CG2 4.43Å; L93-R712 PolarHBondContact O-NH1 3.36Å | ||
| 94 | T | 73.3 | Confident | 85 | Confident | 36 Ų | 36 | 25.1 Ų | 25.1 | 22% | 0.221 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -56.6 | -34.8 | 178.3 | 36.5 | 0 | 0 | 0 | 0 | 113.9 | N80 P81 F84 E92 R712 L1436 R1440 | N80-T94 PolarHBondContact OD1-N 3.21Å; N80-T94 PolarHBondContact OD1-OG1 3.4Å; P81-T94 WeakPolarHBondContact CD-OG1 3.09Å; F84-T94 HydrophobicContact CE2-CG2 3.55Å; F84-T94 VanDerWaalsContact CE2-OG1 3.24Å; F84-T94 WeakPolarHBondContact CE2-OG1 3.28Å; F84-T94 HydrophobicContact CZ-CG2 3.83Å; E92-T94 PolarHBondContact O-N 2.67Å; E92-T94 VanDerWaalsContact O-N 3.15Å; T94-R712 PolarHBondContact O-NH2 2.87Å; T94-L1436 WeakPolarHBondContact O-CD1 3.45Å; T94-R1440 HydrophobicContact CG2-CG 4.46Å; T94-R1440 PolarHBondContact O-NE 3.42Å; T94-R1440 PolarHBondContact O-NH2 2.87Å |
| 95 | C | 76.5 | Confident | 85.8 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 2% | 0.02 | 12% | 0.123 | C | C | . | . | S | Bend | trans | -103.4 | 113.2 | 165.5 | -32.2 | 0 | 0 | 0 | 0 | 109.3 | K78 N80 L93 R1440 | K78-C95 WeakPolarHBondContact O-CB 2.87Å; K78-C95 PolarHBondContact O-SG 3.12Å; N80-C95 WeakPolarHBondContact ND2-CB 3.34Å; N80-C95 PolarHBondContact ND2-O 2.72Å; N80-C95 PolarHBondContact OD1-N 3.25Å; L93-C95 PolarHBondContact O-N 2.75Å; L93-C95 VanDerWaalsContact O-N 3.16Å; C95-R1440 VanDerWaalsContact CA-NH2 3.29Å; C95-R1440 PolarHBondContact SG-NH2 3.42Å |
| 96 | L | 83.2 | Confident | 86.3 | Confident | 29 Ų | 29 | 23.5 Ų | 23.5 | 15% | 0.152 | 12% | 0.117 | C | C | . | . | trans | -94.2 | 102.2 | 167.2 | -174.9 | 64.8 | 0 | 0 | 0 | 107.7 | V101 L705 I708 R709 | L96-V101 HydrophobicContact CD1-CG2 3.92Å; L96-L705 HydrophobicContact CD1-CD2 4.18Å; L96-L705 HydrophobicContact CG-CD2 4.28Å; L96-I708 HydrophobicContact CD1-CB 4.07Å; L96-I708 HydrophobicContact CD1-CD1 4.24Å; L96-I708 HydrophobicContact CD1-CG2 3.65Å; L96-I708 HydrophobicContact CD2-CB 4.1Å; L96-I708 HydrophobicContact CD2-CG2 3.82Å; L96-I708 HydrophobicContact CG-CG2 4.41Å; L96-R709 HydrophobicContact CD2-CB 4.14Å; L96-R709 HydrophobicContact CD2-CG 4.39Å | ||
| 97 | N | 84.7 | Confident | 86.5 | Confident | 24 Ų | 24 | 22.7 Ų | 22.7 | 13% | 0.128 | 11% | 0.114 | C | C | . | . | S | Bend | trans | -151.3 | 161.2 | 176.6 | 55.5 | 35.1 | 0 | 0 | 0 | 109.8 | Q77 K78 A99 S100 V101 | Q77-N97 HydrophobicContact CB-CB 4.32Å; K78-N97 PolarHBondContact O-ND2 2.66Å; N97-A99 VanDerWaalsContact C-N 3.29Å; N97-A99 PolarHBondContact O-N 2.72Å; N97-S100 PolarHBondContact O-N 2.74Å; N97-S100 VanDerWaalsContact O-N 3.12Å; N97-S100 WeakPolarHBondContact OD1-CB 3.21Å; N97-S100 PolarHBondContact OD1-N 3.27Å; N97-S100 PolarHBondContact OD1-OG 2.8Å; N97-V101 PolarHBondContact O-N 2.7Å |
| 98 | E | 87.2 | Confident | 86.8 | Confident | 38 Ų | 38 | 22.2 Ų | 22.2 | 18% | 0.178 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -54.7 | -46.2 | -173.5 | -51 | -162.9 | 120.1 | 0 | 0 | 112 | F45 S100 V101 L102 L696 R700 L705 | F45-E98 HydrophobicContact CE2-CB 3.9Å; F45-E98 HydrophobicContact CZ-CB 4.19Å; E98-S100 VanDerWaalsContact C-N 3.34Å; E98-S100 PolarHBondContact O-N 2.67Å; E98-V101 PolarHBondContact O-N 2.66Å; E98-L102 VanDerWaalsContact O-CB 3.3Å; E98-L102 WeakPolarHBondContact O-CB 3.36Å; E98-L102 PolarHBondContact O-N 2.77Å; E98-L696 HydrophobicContact CB-CD2 4.04Å; E98-R700 IonicContact OE1-CZ 3.82Å; E98-R700 IonicContact OE1-NE 3.55Å; E98-R700 PolarHBondContact OE1-NE 2.67Å; E98-R700 IonicContact OE1-NH2 2.65Å; E98-R700 PolarHBondContact OE1-NH2 2.78Å; E98-R700 IonicContact OE2-CZ 2.68Å; E98-R700 IonicContact OE2-NE 3.24Å; E98-R700 IonicContact OE2-NH2 2.67Å; E98-R700 PolarHBondContact OE2-NH2 2.79Å; E98-L705 HydrophobicContact CB-CD1 4.43Å; E98-L705 HydrophobicContact CG-CD1 3.82Å |
| 99 | A | 89.7 | Confident | 87 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -61.6 | -39.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | W37 F45 Q77 N97 H103 | W37-A99 HydrophobicContact CB-CB 3.46Å; W37-A99 VanDerWaalsContact CB-CB 3.46Å; W37-A99 VanDerWaalsContact CD1-CB 3.48Å; W37-A99 HydrophobicContact CD2-CB 3.92Å; W37-A99 HydrophobicContact CG-CB 3.34Å; F45-A99 HydrophobicContact CB-CB 3.69Å; F45-A99 HydrophobicContact CD1-CB 3.83Å; F45-A99 HydrophobicContact CD2-CB 3.82Å; F45-A99 HydrophobicContact CE1-CB 4.43Å; F45-A99 HydrophobicContact CE2-CB 4.41Å; F45-A99 HydrophobicContact CG-CB 3.5Å; Q77-A99 VanDerWaalsContact OE1-CB 3.31Å; N97-A99 VanDerWaalsContact C-N 3.29Å; N97-A99 PolarHBondContact O-N 2.72Å; A99-H103 WeakPolarHBondContact O-CB 3.28Å; A99-H103 PolarHBondContact O-N 2.67Å |
| 100 | S | 89.9 | Confident | 87.2 | Confident | 4 Ų | 4 | 25.9 Ų | 25.9 | 3% | 0.028 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -72.9 | -37.6 | 178 | -62.4 | 0 | 0 | 0 | 0 | 113.1 | N80 N97 E98 H103 N104 | N80-S100 VanDerWaalsContact ND2-CB 3.26Å; N80-S100 WeakPolarHBondContact ND2-CB 3.26Å; N80-S100 PolarHBondContact ND2-OG 2.73Å; N97-S100 PolarHBondContact O-N 2.74Å; N97-S100 VanDerWaalsContact O-N 3.12Å; N97-S100 WeakPolarHBondContact OD1-CB 3.21Å; N97-S100 PolarHBondContact OD1-N 3.27Å; N97-S100 PolarHBondContact OD1-OG 2.8Å; E98-S100 VanDerWaalsContact C-N 3.34Å; E98-S100 PolarHBondContact O-N 2.67Å; S100-H103 PolarHBondContact O-N 3.43Å; S100-N104 WeakPolarHBondContact O-CB 3.14Å; S100-N104 PolarHBondContact O-N 2.77Å |
| 101 | V | 91 | Very high | 87.4 | Confident | 1 Ų | 1 | 27.6 Ų | 27.6 | 1% | 0.006 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -66.5 | -48.6 | 175.6 | 173.1 | 0 | 0 | 0 | 0 | 110.2 | M90 L93 L96 N97 E98 H103 N104 L105 L699 L705 I708 | M90-V101 HydrophobicContact CE-CG1 4.06Å; M90-V101 HydrophobicContact SD-CB 4.47Å; M90-V101 HydrophobicContact SD-CG1 3.91Å; L93-V101 HydrophobicContact CD1-CG2 4.43Å; L96-V101 HydrophobicContact CD1-CG2 3.92Å; N97-V101 PolarHBondContact O-N 2.7Å; E98-V101 PolarHBondContact O-N 2.66Å; V101-H103 PolarHBondContact O-N 2.96Å; V101-N104 PolarHBondContact O-N 2.76Å; V101-L105 HydrophobicContact CG1-CD1 4.05Å; V101-L105 WeakPolarHBondContact O-CG 3.22Å; V101-L105 PolarHBondContact O-N 2.78Å; V101-L699 HydrophobicContact CG1-CD1 4.05Å; V101-L699 HydrophobicContact CG1-CD2 4.23Å; V101-L705 HydrophobicContact CB-CD2 4.44Å; V101-L705 HydrophobicContact CG2-CD2 3.71Å; V101-L705 HydrophobicContact CG2-CG 4.47Å; V101-I708 HydrophobicContact CG2-CD1 4.48Å |
| 102 | L | 92.9 | Very high | 87.8 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57.6 | -46.7 | 173.6 | 176.6 | 69.9 | 0 | 0 | 0 | 111.4 | F45 E98 R106 A692 V695 L696 | F45-L102 HydrophobicContact CD2-CD2 4.23Å; E98-L102 VanDerWaalsContact O-CB 3.3Å; E98-L102 WeakPolarHBondContact O-CB 3.36Å; E98-L102 PolarHBondContact O-N 2.77Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-A692 HydrophobicContact CD2-CB 4.18Å; L102-V695 HydrophobicContact CD1-CB 4.12Å; L102-V695 HydrophobicContact CD1-CG1 3.75Å; L102-L696 HydrophobicContact CB-CD2 4.13Å; L102-L696 HydrophobicContact CD1-CG 4.33Å; L102-L696 HydrophobicContact CD2-CD1 4Å; L102-L696 HydrophobicContact CD2-CD2 4.12Å; L102-L696 HydrophobicContact CD2-CG 3.94Å |
| 103 | H | 91.2 | Very high | 88.5 | Confident | 49 Ų | 49 | 22.1 Ų | 22.1 | 23% | 0.227 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.4 | -46.9 | -180 | 175.3 | 60.2 | 0 | 0 | 0 | 111.9 | W37 A99 S100 V101 L105 R106 E107 | W37-H103 HydrophobicContact CH2-CB 4.04Å; W37-H103 AromaticContact CH2-CD2 3.82Å; W37-H103 AromaticContact CH2-CE1 3.9Å; W37-H103 AromaticContact CH2-CG 3.59Å; W37-H103 AromaticContact CH2-ND1 3.64Å; W37-H103 AromaticContact CH2-NE2 3.99Å; W37-H103 HydrophobicContact CZ2-CB 3.86Å; W37-H103 AromaticContact CZ2-CD2 3.47Å; W37-H103 VanDerWaalsContact CZ2-CD2 3.47Å; W37-H103 WeakPolarHBondContact CZ2-CD2 3.34Å; W37-H103 AromaticContact CZ2-CG 3.56Å; W37-H103 AromaticContact CZ2-NE2 3.94Å; A99-H103 WeakPolarHBondContact O-CB 3.28Å; A99-H103 PolarHBondContact O-N 2.67Å; S100-H103 PolarHBondContact O-N 3.43Å; V101-H103 PolarHBondContact O-N 2.96Å; H103-L105 PolarHBondContact O-N 2.75Å; H103-R106 PolarHBondContact O-N 2.68Å; H103-E107 IonicContact CE1-OE1 3.25Å; H103-E107 PolarHBondContact CE1-OE1 3.49Å; H103-E107 IonicContact NE2-OE1 3.09Å; H103-E107 IonicContact NE2-OE2 2.66Å; H103-E107 WeakPolarHBondContact O-CG 3.37Å; H103-E107 PolarHBondContact O-N 3.33Å |
| 104 | N | 92.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 22.3 Ų | 22.3 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -61.5 | -47.8 | 178.5 | -171.7 | 48.3 | 0 | 0 | 0 | 112 | K86 V87 M90 S100 V101 R106 E107 R108 | K86-N104 WeakPolarHBondContact CA-OD1 3.13Å; K86-N104 PolarHBondContact N-OD1 2.64Å; V87-N104 PolarHBondContact N-OD1 3.36Å; V87-N104 PolarHBondContact O-ND2 2.68Å; M90-N104 WeakPolarHBondContact CG-ND2 3.49Å; M90-N104 HydrophobicContact SD-CB 4.33Å; S100-N104 WeakPolarHBondContact O-CB 3.14Å; S100-N104 PolarHBondContact O-N 2.77Å; V101-N104 PolarHBondContact O-N 2.76Å; N104-R106 VanDerWaalsContact C-N 3.32Å; N104-R106 PolarHBondContact O-N 3.34Å; N104-E107 PolarHBondContact O-N 2.63Å; N104-R108 WeakPolarHBondContact O-CB 2.98Å; N104-R108 VanDerWaalsContact O-CG 3.28Å; N104-R108 WeakPolarHBondContact O-CG 3.12Å; N104-R108 PolarHBondContact O-N 2.71Å |
| 105 | L | 93.1 | Very high | 90.3 | Very high | 2 Ų | 2 | 20.8 Ų | 20.8 | 1% | 0.01 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.1 | -39.5 | 177 | -69 | 171.6 | 0 | 0 | 0 | 111.9 | M90 V101 H103 R108 Y109 T116 V123 L699 | M90-L105 HydrophobicContact CE-CD1 4.14Å; M90-L105 HydrophobicContact CE-CD2 3.92Å; M90-L105 HydrophobicContact CE-CG 4.07Å; M90-L105 HydrophobicContact SD-CD1 4.43Å; M90-L105 HydrophobicContact SD-CD2 4.15Å; M90-L105 HydrophobicContact SD-CG 3.94Å; V101-L105 HydrophobicContact CG1-CD1 4.05Å; V101-L105 WeakPolarHBondContact O-CG 3.22Å; V101-L105 PolarHBondContact O-N 2.78Å; H103-L105 PolarHBondContact O-N 2.75Å; L105-R108 PolarHBondContact O-N 2.6Å; L105-Y109 WeakPolarHBondContact O-CB 3.3Å; L105-Y109 PolarHBondContact O-N 2.72Å; L105-T116 HydrophobicContact CD2-CG2 4.34Å; L105-V123 HydrophobicContact CD1-CG1 4.11Å; L105-V123 HydrophobicContact CD2-CB 4.31Å; L105-V123 HydrophobicContact CD2-CG1 3.86Å; L105-L699 HydrophobicContact CD1-CD1 3.99Å; L105-L699 HydrophobicContact CD1-CD2 3.76Å; L105-L699 HydrophobicContact CD1-CG 4.46Å |
| 106 | R | 93.4 | Very high | 91.1 | Very high | 27 Ų | 27 | 20.7 Ų | 20.7 | 10% | 0.102 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.4 | -47.9 | 176 | 176.7 | 163.8 | 49.7 | 174.8 | -6.8 | 111.9 | Q43 F45 L102 H103 N104 F110 | Q43-R106 PolarHBondContact O-NH1 2.79Å; F45-R106 PolarHBondContact O-NH2 2.84Å; L102-R106 WeakPolarHBondContact O-CB 3.48Å; L102-R106 PolarHBondContact O-N 3.02Å; H103-R106 PolarHBondContact O-N 2.68Å; N104-R106 VanDerWaalsContact C-N 3.32Å; N104-R106 PolarHBondContact O-N 3.34Å; R106-F110 HydrophobicContact CG-CD2 3.93Å; R106-F110 HydrophobicContact CG-CE2 3.7Å; R106-F110 WeakPolarHBondContact O-CD2 3.1Å; R106-F110 PolarHBondContact O-N 2.71Å |
| 107 | E | 91.3 | Very high | 91.5 | Very high | 49 Ų | 49 | 20 Ų | 20 | 23% | 0.229 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.3 | -39.2 | 176.7 | -70 | -160.2 | 132 | 0 | 0 | 113 | S85 K86 H103 N104 S111 | S85-E107 WeakPolarHBondContact CB-OE2 3.3Å; S85-E107 PolarHBondContact OG-OE2 2.96Å; K86-E107 HydrophobicContact CG-CB 3.74Å; K86-E107 PolarHBondContact N-OE2 3.31Å; H103-E107 IonicContact CE1-OE1 3.25Å; H103-E107 PolarHBondContact CE1-OE1 3.49Å; H103-E107 IonicContact NE2-OE1 3.09Å; H103-E107 IonicContact NE2-OE2 2.66Å; H103-E107 WeakPolarHBondContact O-CG 3.37Å; H103-E107 PolarHBondContact O-N 3.33Å; N104-E107 PolarHBondContact O-N 2.63Å; E107-S111 WeakPolarHBondContact O-CB 3.18Å; E107-S111 PolarHBondContact O-N 3.46Å; E107-S111 VanDerWaalsContact O-N 3.12Å; E107-S111 PolarHBondContact O-OG 2.69Å |
| 108 | R | 93.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 1% | 0.011 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -68.8 | -46.7 | 177.8 | -72.7 | -179.7 | 65.6 | 83.3 | 3.4 | 111.3 | K86 V87 N104 L105 F110 S111 G112 L113 Y115 T116 | K86-R108 HydrophobicContact CB-CG 3.99Å; K86-R108 HydrophobicContact CG-CG 4.35Å; K86-R108 PolarHBondContact O-NH1 2.77Å; V87-R108 WeakPolarHBondContact O-CD 3.36Å; N104-R108 WeakPolarHBondContact O-CB 2.98Å; N104-R108 VanDerWaalsContact O-CG 3.28Å; N104-R108 WeakPolarHBondContact O-CG 3.12Å; N104-R108 PolarHBondContact O-N 2.71Å; L105-R108 PolarHBondContact O-N 2.6Å; R108-F110 PolarHBondContact O-N 2.68Å; R108-S111 CarbonylContact O-C 3.48Å; R108-S111 WeakPolarHBondContact O-CA 3.38Å; R108-S111 WeakPolarHBondContact O-CB 3.45Å; R108-S111 PolarHBondContact O-N 2.7Å; R108-G112 PolarHBondContact O-N 3.43Å; R108-G112 VanDerWaalsContact O-N 3.16Å; R108-L113 CarbonylContact C-O 3.51Å; R108-L113 HydrophobicContact CB-CB 4.01Å; R108-L113 WeakPolarHBondContact CB-O 3.32Å; R108-L113 HydrophobicContact CG-CB 4.5Å; R108-L113 WeakPolarHBondContact O-CB 3.25Å; R108-L113 PolarHBondContact O-N 2.62Å; R108-Y115 PolarHBondContact NH2-O 2.76Å; R108-T116 WeakPolarHBondContact CD-OG1 3.26Å; R108-T116 PolarHBondContact NE-OG1 3.24Å |
| 109 | Y | 93.3 | Very high | 91.3 | Very high | 14 Ų | 14 | 17.2 Ų | 17.2 | 6% | 0.055 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -56.1 | -48.2 | 174.3 | 177.6 | -102.3 | 0 | 0 | 0 | 112.6 | L105 S111 G112 V125 P681 G688 K689 L690 | L105-Y109 WeakPolarHBondContact O-CB 3.3Å; L105-Y109 PolarHBondContact O-N 2.72Å; Y109-S111 PolarHBondContact O-N 2.79Å; Y109-G112 PolarHBondContact O-N 3.27Å; Y109-V125 HydrophobicContact CD2-CB 3.92Å; Y109-V125 HydrophobicContact CD2-CG1 3.5Å; Y109-V125 VanDerWaalsContact CD2-CG1 3.5Å; Y109-V125 HydrophobicContact CE2-CG1 3.79Å; Y109-V125 HydrophobicContact CG-CG1 4.19Å; Y109-P681 HydrophobicContact CE2-CB 4.2Å; Y109-P681 HydrophobicContact CE2-CG 4.4Å; Y109-G688 PolarHBondContact OH-N 2.8Å; Y109-G688 VanDerWaalsContact OH-N 3.15Å; Y109-K689 PolarHBondContact OH-O 3.26Å; Y109-K689 VanDerWaalsContact OH-O 3.09Å; Y109-L690 HydrophobicContact CD1-CB 4.02Å; Y109-L690 HydrophobicContact CD1-CD1 3.83Å; Y109-L690 HydrophobicContact CE1-CB 3.95Å; Y109-L690 HydrophobicContact CE1-CD1 4.4Å; Y109-L690 HydrophobicContact CG-CD1 4.02Å |
| 110 | F | 92.4 | Very high | 90.9 | Very high | 125 Ų | 125 | 21 Ų | 21 | 55% | 0.548 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -67.8 | -18.2 | 175.7 | -73.6 | -54.7 | 0 | 0 | 0 | 113.9 | R106 R108 G112 G688 L690 | R106-F110 HydrophobicContact CG-CD2 3.93Å; R106-F110 HydrophobicContact CG-CE2 3.7Å; R106-F110 WeakPolarHBondContact O-CD2 3.1Å; R106-F110 PolarHBondContact O-N 2.71Å; R108-F110 PolarHBondContact O-N 2.68Å; F110-G112 VanDerWaalsContact C-N 3.32Å; F110-G688 WeakPolarHBondContact CE1-O 3.36Å; F110-L690 HydrophobicContact CZ-CB 4.49Å |
| 111 | S | 89.6 | Confident | 90.8 | Very high | 35 Ų | 35 | 21 Ų | 21 | 25% | 0.245 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | 0.2 | 169.8 | -50.7 | 0 | 0 | 0 | 0 | 113.1 | K86 E107 R108 Y109 L113 | K86-S111 WeakPolarHBondContact CD-OG 3.13Å; K86-S111 VanDerWaalsContact CE-OG 3.25Å; K86-S111 WeakPolarHBondContact CE-OG 3.49Å; K86-S111 PolarHBondContact NZ-OG 2.78Å; E107-S111 WeakPolarHBondContact O-CB 3.18Å; E107-S111 PolarHBondContact O-N 3.46Å; E107-S111 VanDerWaalsContact O-N 3.12Å; E107-S111 PolarHBondContact O-OG 2.69Å; R108-S111 CarbonylContact O-C 3.48Å; R108-S111 WeakPolarHBondContact O-CA 3.38Å; R108-S111 WeakPolarHBondContact O-CB 3.45Å; R108-S111 PolarHBondContact O-N 2.7Å; Y109-S111 PolarHBondContact O-N 2.79Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 2.73Å |
| 112 | G | 90.1 | Very high | 90.9 | Very high | 10 Ų | 10 | 21 Ų | 21 | 10% | 0.103 | 10% | 0.104 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 77.7 | 3.6 | -173.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | R108 Y109 F110 I114 L131 | R108-G112 PolarHBondContact O-N 3.43Å; R108-G112 VanDerWaalsContact O-N 3.16Å; Y109-G112 PolarHBondContact O-N 3.27Å; F110-G112 VanDerWaalsContact C-N 3.32Å; G112-I114 PolarHBondContact O-N 2.68Å; G112-I114 VanDerWaalsContact O-N 3.13Å; G112-L131 WeakPolarHBondContact O-CD1 3.45Å |
| 113 | L | 92.6 | Very high | 90.9 | Very high | 9 Ų | 9 | 21 Ų | 21 | 5% | 0.047 | 10% | 0.104 | C | C | . | . | trans | -85.3 | 79.6 | -179.6 | -57.3 | 174.2 | 0 | 0 | 0 | 109.6 | V16 R108 S111 Y115 | V16-L113 HydrophobicContact CG2-CD1 3.8Å; R108-L113 CarbonylContact C-O 3.51Å; R108-L113 HydrophobicContact CB-CB 4.01Å; R108-L113 WeakPolarHBondContact CB-O 3.32Å; R108-L113 HydrophobicContact CG-CB 4.5Å; R108-L113 WeakPolarHBondContact O-CB 3.25Å; R108-L113 PolarHBondContact O-N 2.62Å; S111-L113 VanDerWaalsContact C-N 3.26Å; S111-L113 PolarHBondContact O-N 2.73Å; L113-Y115 PolarHBondContact O-N 2.68Å | ||
| 114 | I | 93.9 | Very high | 91.1 | Very high | 7 Ų | 7 | 18.8 Ų | 18.8 | 4% | 0.036 | 9% | 0.094 | C | C | . | . | trans | -72.8 | -24.9 | -171.1 | 61.6 | 171.3 | 0 | 0 | 0 | 114.8 | G112 V124 V125 P127 L131 I133 | G112-I114 PolarHBondContact O-N 2.68Å; G112-I114 VanDerWaalsContact O-N 3.13Å; I114-V124 WeakPolarHBondContact O-CA 3.44Å; I114-V125 WeakPolarHBondContact CB-O 3.1Å; I114-V125 WeakPolarHBondContact CG2-O 3.11Å; I114-V125 PolarHBondContact O-N 2.96Å; I114-P127 HydrophobicContact CD1-CG 4.06Å; I114-P127 HydrophobicContact CG2-CB 3.91Å; I114-P127 HydrophobicContact CG2-CG 4.12Å; I114-L131 HydrophobicContact CD1-CD1 4.26Å; I114-L131 HydrophobicContact CG1-CD1 4.37Å; I114-L131 HydrophobicContact CG2-CD1 3.75Å; I114-I133 HydrophobicContact CD1-CD1 4.11Å; I114-I133 HydrophobicContact CG1-CD1 4.29Å | ||
| 115 | Y | 95.2 | Very high | 91.2 | Very high | 5 Ų | 5 | 18.7 Ų | 18.7 | 2% | 0.02 | 9% | 0.094 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 136.7 | 179.1 | -65.5 | -76 | 0 | 0 | 0 | 110.2 | R108 L113 V124 I133 Y134 P152 H153 I154 N187 | R108-Y115 PolarHBondContact NH2-O 2.76Å; L113-Y115 PolarHBondContact O-N 2.68Å; Y115-V124 HydrophobicContact CD1-CB 4.21Å; Y115-V124 HydrophobicContact CD1-CG1 3.72Å; Y115-V124 HydrophobicContact CD1-CG2 3.58Å; Y115-V124 HydrophobicContact CE1-CB 4.21Å; Y115-V124 HydrophobicContact CE1-CG1 3.45Å; Y115-V124 VanDerWaalsContact CE1-CG1 3.45Å; Y115-V124 HydrophobicContact CE1-CG2 3.68Å; Y115-V124 HydrophobicContact CG-CG1 4.49Å; Y115-I133 HydrophobicContact CD2-CD1 4.37Å; Y115-I133 HydrophobicContact CE2-CD1 3.95Å; Y115-Y134 PolarHBondContact OH-OH 3.38Å; Y115-Y134 VanDerWaalsContact OH-OH 3.06Å; Y115-P152 VanDerWaalsContact CB-O 3.25Å; Y115-P152 WeakPolarHBondContact CB-O 3.46Å; Y115-H153 AromaticContact CD2-CD2 3.47Å; Y115-H153 VanDerWaalsContact CD2-CD2 3.47Å; Y115-H153 WeakPolarHBondContact CD2-CD2 3.05Å; Y115-H153 AromaticContact CE2-CD2 3.41Å; Y115-H153 VanDerWaalsContact CE2-CD2 3.41Å; Y115-H153 WeakPolarHBondContact CE2-CD2 3.42Å; Y115-H153 AromaticContact CE2-NE2 3.77Å; Y115-I154 HydrophobicContact CD1-CB 4.49Å; Y115-I154 HydrophobicContact CE1-CB 3.68Å; Y115-I154 HydrophobicContact CE1-CG2 4.29Å; Y115-I154 HydrophobicContact CE2-CG2 4.35Å; Y115-I154 WeakPolarHBondContact OH-CG2 3.25Å; Y115-N187 WeakPolarHBondContact CE1-OD1 3.39Å; Y115-N187 PolarHBondContact OH-OD1 3.05Å |
| 116 | T | 93.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.006 | 10% | 0.1 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 135.4 | 175.9 | -50.4 | 0 | 0 | 0 | 0 | 109.5 | M90 L105 R108 C122 V123 | M90-T116 HydrophobicContact CE-CG2 4.34Å; M90-T116 HydrophobicContact CG-CG2 3.88Å; M90-T116 HydrophobicContact SD-CG2 4.23Å; L105-T116 HydrophobicContact CD2-CG2 4.34Å; R108-T116 WeakPolarHBondContact CD-OG1 3.26Å; R108-T116 PolarHBondContact NE-OG1 3.24Å; T116-C122 WeakPolarHBondContact O-CA 3.09Å; T116-C122 PolarHBondContact O-SG 3.45Å; T116-V123 PolarHBondContact N-O 3.26Å; T116-V123 PolarHBondContact O-N 2.67Å |
| 117 | Y | 91.3 | Very high | 91.1 | Very high | 14 Ų | 14 | 19.7 Ų | 19.7 | 6% | 0.055 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78.4 | 159.3 | 176.2 | -65.9 | -47.3 | 0 | 0 | 0 | 112.1 | E88 D89 M90 C122 R147 P152 A156 | E88-Y117 PolarHBondContact O-N 2.78Å; D89-Y117 VanDerWaalsContact CG-CB 3.42Å; D89-Y117 WeakPolarHBondContact OD2-CB 2.89Å; M90-Y117 PolarHBondContact N-O 2.66Å; Y117-C122 HydrophobicContact CD1-CB 4.33Å; Y117-R147 HydrophobicContact CE1-CG 3.98Å; Y117-R147 HydrophobicContact CE2-CG 3.76Å; Y117-R147 WeakPolarHBondContact CE2-O 3.21Å; Y117-R147 VanDerWaalsContact CZ-CG 3.46Å; Y117-R147 WeakPolarHBondContact OH-CG 2.89Å; Y117-R147 PolarHBondContact OH-O 2.78Å; Y117-P152 HydrophobicContact CD1-CB 4.17Å; Y117-P152 HydrophobicContact CD2-CB 3.99Å; Y117-P152 HydrophobicContact CD2-CG 3.67Å; Y117-P152 HydrophobicContact CE1-CB 4.14Å; Y117-P152 HydrophobicContact CE2-CB 3.96Å; Y117-P152 HydrophobicContact CE2-CG 3.84Å; Y117-P152 HydrophobicContact CG-CB 4.07Å; Y117-P152 HydrophobicContact CG-CG 4.09Å; Y117-A156 VanDerWaalsContact OH-CB 3.25Å; Y117-A156 WeakPolarHBondContact OH-CB 2.86Å |
| 118 | S | 87.6 | Confident | 90.9 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.102 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.4 | 65.6 | -176.4 | -63.8 | 0 | 0 | 0 | 0 | 110.1 | D89 M90 L120 F121 | D89-S118 WeakPolarHBondContact OD1-CA 3.31Å; D89-S118 PolarHBondContact OD1-N 3.34Å; M90-S118 WeakPolarHBondContact CE-OG 3.04Å; S118-L120 PolarHBondContact O-N 2.74Å; S118-L120 VanDerWaalsContact O-N 3.09Å; S118-F121 VanDerWaalsContact CB-CE2 3.44Å; S118-F121 PolarHBondContact N-O 2.69Å; S118-F121 WeakPolarHBondContact O-CD1 3.42Å; S118-F121 VanDerWaalsContact O-CE1 3.28Å; S118-F121 WeakPolarHBondContact O-CE1 3.41Å; S118-F121 PolarHBondContact O-N 2.99Å |
| 119 | G | 80.4 | Confident | 90.7 | Very high | 3 Ų | 3 | 26 Ų | 26 | 3% | 0.031 | 13% | 0.128 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 72.7 | -98.4 | -177.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | D89 R147 | D89-G119 PolarHBondContact OD1-N 3.45Å; G119-R147 VanDerWaalsContact O-CZ 3.24Å; G119-R147 PolarHBondContact O-NH1 2.99Å; G119-R147 PolarHBondContact O-NH2 3.41Å |
| 120 | L | 81 | Confident | 90.4 | Very high | 79 Ų | 79 | 33.5 Ų | 33.5 | 41% | 0.414 | 16% | 0.163 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.8 | -27.5 | 177 | -74.1 | 172.4 | 0 | 0 | 0 | 113.9 | S118 M491 C711 P716 | S118-L120 PolarHBondContact O-N 2.74Å; S118-L120 VanDerWaalsContact O-N 3.09Å; L120-M491 HydrophobicContact CB-CE 4.22Å; L120-M491 HydrophobicContact CB-SD 4.37Å; L120-M491 HydrophobicContact CD1-CE 4.22Å; L120-M491 HydrophobicContact CD1-SD 4.4Å; L120-C711 PolarHBondContact N-SG 2.7Å; L120-C711 VanDerWaalsContact N-SG 3.37Å; L120-P716 HydrophobicContact CD1-CB 3.95Å; L120-P716 HydrophobicContact CD2-CB 4.08Å; L120-P716 HydrophobicContact CG-CB 4.01Å |
| 121 | F | 88.4 | Confident | 90.2 | Very high | 5 Ų | 5 | 28.3 Ų | 28.3 | 2% | 0.022 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 175.5 | -174.7 | 61.9 | -85.3 | 0 | 0 | 0 | 112.7 | S118 V123 F487 M491 F675 R677 V704 I708 | S118-F121 VanDerWaalsContact CB-CE2 3.44Å; S118-F121 PolarHBondContact N-O 2.69Å; S118-F121 WeakPolarHBondContact O-CD1 3.42Å; S118-F121 VanDerWaalsContact O-CE1 3.28Å; S118-F121 WeakPolarHBondContact O-CE1 3.41Å; S118-F121 PolarHBondContact O-N 2.99Å; F121-V123 HydrophobicContact CD2-CG2 4.37Å; F121-V123 HydrophobicContact CE2-CG2 4Å; F121-F487 AromaticContact CD1-CE2 3.98Å; F121-F487 HydrophobicContact CD1-CE2 3.98Å; F121-F487 HydrophobicContact CD1-CZ 4.11Å; F121-F487 HydrophobicContact CE1-CE2 4.32Å; F121-F487 AromaticContact CE1-CZ 3.97Å; F121-F487 HydrophobicContact CE1-CZ 3.97Å; F121-F487 HydrophobicContact CG-CE2 4.16Å; F121-F487 HydrophobicContact CZ-CZ 4.23Å; F121-M491 HydrophobicContact CD1-CE 3.99Å; F121-M491 HydrophobicContact CD1-SD 4.4Å; F121-M491 HydrophobicContact CE1-CE 4.17Å; F121-F675 HydrophobicContact CB-CB 3.89Å; F121-F675 WeakPolarHBondContact CB-O 3.01Å; F121-R677 HydrophobicContact CD2-CG 3.95Å; F121-R677 HydrophobicContact CE2-CG 4.3Å; F121-V704 HydrophobicContact CE2-CG1 4.07Å; F121-V704 HydrophobicContact CE2-CG2 4.27Å; F121-V704 HydrophobicContact CZ-CG1 4.16Å; F121-I708 HydrophobicContact CZ-CG1 4.32Å |
| 122 | C | 91.8 | Very high | 90.2 | Very high | 1 Ų | 1 | 29 Ų | 29 | 1% | 0.007 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.7 | 138.3 | 176.3 | -175.9 | 0 | 0 | 0 | 0 | 111.4 | T116 Y117 I157 F675 R677 | T116-C122 WeakPolarHBondContact O-CA 3.09Å; T116-C122 PolarHBondContact O-SG 3.45Å; Y117-C122 HydrophobicContact CD1-CB 4.33Å; C122-I157 HydrophobicContact CB-CD1 3.39Å; C122-I157 HydrophobicContact CB-CG1 4.47Å; C122-F675 PolarHBondContact N-O 3.17Å; C122-R677 PolarHBondContact O-N 2.96Å |
| 123 | V | 94 | Very high | 90.2 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.5 | 135.2 | 171.1 | 177.5 | 0 | 0 | 0 | 0 | 109.3 | M90 L105 T116 F121 R677 I679 V704 | M90-V123 HydrophobicContact CE-CG2 4.24Å; L105-V123 HydrophobicContact CD1-CG1 4.11Å; L105-V123 HydrophobicContact CD2-CB 4.31Å; L105-V123 HydrophobicContact CD2-CG1 3.86Å; T116-V123 PolarHBondContact N-O 3.26Å; T116-V123 PolarHBondContact O-N 2.67Å; F121-V123 HydrophobicContact CD2-CG2 4.37Å; F121-V123 HydrophobicContact CE2-CG2 4Å; V123-R677 CarbonylContact C-O 3.58Å; V123-R677 WeakPolarHBondContact CA-O 3.4Å; V123-R677 HydrophobicContact CG2-CB 4.3Å; V123-I679 HydrophobicContact CG1-CG1 3.79Å; V123-V704 HydrophobicContact CG2-CG1 4.07Å |
| 124 | V | 95 | Very high | 90.1 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.8 | 118.2 | -176.6 | -165.1 | 0 | 0 | 0 | 0 | 109.8 | I114 Y115 V676 R677 C678 I679 | I114-V124 WeakPolarHBondContact O-CA 3.44Å; Y115-V124 HydrophobicContact CD1-CB 4.21Å; Y115-V124 HydrophobicContact CD1-CG1 3.72Å; Y115-V124 HydrophobicContact CD1-CG2 3.58Å; Y115-V124 HydrophobicContact CE1-CB 4.21Å; Y115-V124 HydrophobicContact CE1-CG1 3.45Å; Y115-V124 VanDerWaalsContact CE1-CG1 3.45Å; Y115-V124 HydrophobicContact CE1-CG2 3.68Å; Y115-V124 HydrophobicContact CG-CG1 4.49Å; V124-V676 HydrophobicContact CG2-CG1 3.51Å; V124-R677 PolarHBondContact N-O 3.3Å; V124-C678 CarbonylContact O-C 3.55Å; V124-C678 WeakPolarHBondContact O-CA 3.46Å; V124-I679 PolarHBondContact O-N 3.21Å |
| 125 | V | 94.6 | Very high | 89.8 | Confident | 2 Ų | 2 | 32.6 Ų | 32.6 | 1% | 0.012 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 119.7 | 177 | -173.1 | 0 | 0 | 0 | 0 | 109.5 | Y109 I114 P127 I679 P681 L690 | Y109-V125 HydrophobicContact CD2-CB 3.92Å; Y109-V125 HydrophobicContact CD2-CG1 3.5Å; Y109-V125 VanDerWaalsContact CD2-CG1 3.5Å; Y109-V125 HydrophobicContact CE2-CG1 3.79Å; Y109-V125 HydrophobicContact CG-CG1 4.19Å; I114-V125 WeakPolarHBondContact CB-O 3.1Å; I114-V125 WeakPolarHBondContact CG2-O 3.11Å; I114-V125 PolarHBondContact O-N 2.96Å; V125-P127 WeakPolarHBondContact O-CD 3.11Å; V125-I679 HydrophobicContact CG2-CB 4.34Å; V125-P681 HydrophobicContact CG1-CB 3.86Å; V125-P681 HydrophobicContact CG1-CG 4.48Å; V125-L690 HydrophobicContact CG1-CD1 4.43Å |
| 126 | N | 92.8 | Very high | 89.3 | Confident | 26 Ų | 26 | 36.9 Ų | 36.9 | 14% | 0.139 | 18% | 0.182 | C | C | . | . | trans | -60.6 | 120.8 | -175 | -176.4 | -3.9 | 0 | 0 | 0 | 111.6 | Y128 G181 I679 P681 | N126-Y128 VanDerWaalsContact C-N 3.31Å; N126-Y128 WeakPolarHBondContact ND2-CE1 3.06Å; N126-Y128 PolarHBondContact O-N 3.3Å; N126-Y128 PolarHBondContact OD1-N 2.74Å; N126-G181 PolarHBondContact ND2-O 2.72Å; N126-I679 PolarHBondContact N-O 3.35Å; N126-P681 VanDerWaalsContact O-CG 3.28Å; N126-P681 WeakPolarHBondContact O-CG 3.46Å | ||
| 127 | P | 91.7 | Very high | 89 | Confident | 23 Ų | 23 | 42.1 Ų | 42.1 | 15% | 0.149 | 21% | 0.205 | C | C | . | . | trans | -72.3 | -18 | 179.2 | 27.5 | -34.4 | 0 | 0 | 0 | 114.9 | I114 V125 K129 L131 S687 | I114-P127 HydrophobicContact CD1-CG 4.06Å; I114-P127 HydrophobicContact CG2-CB 3.91Å; I114-P127 HydrophobicContact CG2-CG 4.12Å; V125-P127 WeakPolarHBondContact O-CD 3.11Å; P127-K129 HydrophobicContact CB-CB 4.39Å; P127-K129 VanDerWaalsContact CG-O 3.28Å; P127-K129 WeakPolarHBondContact CG-O 3.46Å; P127-K129 PolarHBondContact O-N 2.82Å; P127-K129 VanDerWaalsContact O-N 3.11Å; P127-L131 HydrophobicContact CB-CD1 4.17Å; P127-L131 HydrophobicContact CB-CG 4.32Å; P127-L131 HydrophobicContact CG-CD1 4.34Å; P127-L131 HydrophobicContact CG-CG 4.44Å; P127-S687 VanDerWaalsContact O-CA 3.31Å; P127-S687 WeakPolarHBondContact O-CA 3.13Å; P127-S687 WeakPolarHBondContact O-CB 3.29Å | ||
| 128 | Y | 87.6 | Confident | 88.9 | Confident | 58 Ų | 58 | 42 Ų | 42 | 23% | 0.227 | 21% | 0.205 | C | C | . | . | S | Bend | trans | 48.8 | 28.8 | -163 | -68.7 | -66.6 | 0 | 0 | 0 | 113.6 | N126 G181 I680 P681 K685 | N126-Y128 VanDerWaalsContact C-N 3.31Å; N126-Y128 WeakPolarHBondContact ND2-CE1 3.06Å; N126-Y128 PolarHBondContact O-N 3.3Å; N126-Y128 PolarHBondContact OD1-N 2.74Å; Y128-G181 PolarHBondContact OH-O 3.4Å; Y128-I680 HydrophobicContact CE2-CG1 4.47Å; Y128-I680 WeakPolarHBondContact OH-CD1 2.96Å; Y128-I680 WeakPolarHBondContact OH-CG1 3.39Å; Y128-P681 HydrophobicContact CD2-CG 3.94Å; Y128-P681 HydrophobicContact CE2-CG 3.78Å; Y128-K685 HydrophobicContact CE1-CB 4.47Å |
| 129 | K | 87.9 | Confident | 89 | Confident | 128 Ų | 128 | 42.2 Ų | 42.2 | 56% | 0.557 | 21% | 0.206 | S | C | * | . | S | Bend | trans | -153.3 | 138.3 | -177.1 | -179.1 | -176.8 | 175.6 | -173.2 | 0 | 109.9 | P127 L131 | P127-K129 HydrophobicContact CB-CB 4.39Å; P127-K129 VanDerWaalsContact CG-O 3.28Å; P127-K129 WeakPolarHBondContact CG-O 3.46Å; P127-K129 PolarHBondContact O-N 2.82Å; P127-K129 VanDerWaalsContact O-N 3.11Å; K129-L131 HydrophobicContact CD-CD2 4.29Å; K129-L131 PolarHBondContact O-N 3.35Å |
| 130 | H | 86.2 | Confident | 89.4 | Confident | 170 Ų | 170 | 46.7 Ų | 46.7 | 79% | 0.787 | 23% | 0.229 | S | C | * | . | trans | -68.4 | 114 | 168.3 | -59.1 | -68.2 | 0 | 0 | 0 | 110 | ||||
| 131 | L | 89.1 | Confident | 89.8 | Confident | 16 Ų | 16 | 45.2 Ų | 45.2 | 8% | 0.084 | 22% | 0.221 | C | C | . | . | trans | -92.6 | 148.9 | 172.6 | -58.9 | -179.8 | 0 | 0 | 0 | 109.6 | F13 G112 I114 P127 K129 I133 | F13-L131 HydrophobicContact CD1-CD2 4.16Å; F13-L131 HydrophobicContact CE1-CD2 4.33Å; G112-L131 WeakPolarHBondContact O-CD1 3.45Å; I114-L131 HydrophobicContact CD1-CD1 4.26Å; I114-L131 HydrophobicContact CG1-CD1 4.37Å; I114-L131 HydrophobicContact CG2-CD1 3.75Å; P127-L131 HydrophobicContact CB-CD1 4.17Å; P127-L131 HydrophobicContact CB-CG 4.32Å; P127-L131 HydrophobicContact CG-CD1 4.34Å; P127-L131 HydrophobicContact CG-CG 4.44Å; K129-L131 HydrophobicContact CD-CD2 4.29Å; K129-L131 PolarHBondContact O-N 3.35Å; L131-I133 HydrophobicContact CB-CD1 4.19Å; L131-I133 HydrophobicContact CB-CG1 4.12Å; L131-I133 HydrophobicContact CB-CG2 4.39Å; L131-I133 HydrophobicContact CD1-CD1 4.38Å; L131-I133 PolarHBondContact O-N 2.82Å | ||
| 132 | P | 88.8 | Confident | 90 | Very high | 50 Ų | 50 | 45 Ų | 45 | 33% | 0.325 | 22% | 0.22 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.5 | 23.6 | -175.1 | 31.6 | -36.8 | 0 | 0 | 0 | 114.7 | D10 F13 | D10-P132 HydrophobicContact CB-CB 4.43Å; D10-P132 HydrophobicContact CB-CG 4.32Å; D10-P132 WeakPolarHBondContact OD1-CB 3.05Å; F13-P132 HydrophobicContact CD2-CG 3.68Å; F13-P132 HydrophobicContact CE2-CG 4.19Å; F13-P132 HydrophobicContact CG-CG 4.27Å |
| 133 | I | 91 | Very high | 89.9 | Confident | 2 Ų | 2 | 48.8 Ų | 48.8 | 1% | 0.01 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.1 | -0.5 | -171.5 | 64.3 | -177 | 0 | 0 | 0 | 114.4 | F13 L14 I114 Y115 L131 I138 | F13-I133 HydrophobicContact CB-CG2 3.81Å; L14-I133 HydrophobicContact CD1-CB 4.21Å; L14-I133 HydrophobicContact CD1-CG2 4.12Å; I114-I133 HydrophobicContact CD1-CD1 4.11Å; I114-I133 HydrophobicContact CG1-CD1 4.29Å; Y115-I133 HydrophobicContact CD2-CD1 4.37Å; Y115-I133 HydrophobicContact CE2-CD1 3.95Å; L131-I133 HydrophobicContact CB-CD1 4.19Å; L131-I133 HydrophobicContact CB-CG1 4.12Å; L131-I133 HydrophobicContact CB-CG2 4.39Å; L131-I133 HydrophobicContact CD1-CD1 4.38Å; L131-I133 PolarHBondContact O-N 2.82Å; I133-I138 HydrophobicContact CB-CD1 4.49Å; I133-I138 WeakPolarHBondContact O-CD1 2.98Å; I133-I138 WeakPolarHBondContact O-CG2 3.42Å |
| 134 | Y | 90.2 | Very high | 89.5 | Confident | 51 Ų | 51 | 50.8 Ų | 50.8 | 20% | 0.2 | 26% | 0.257 | C | S | . | . | trans | -112 | 41.6 | -173.1 | -52.6 | -62.4 | 0 | 0 | 0 | 114.1 | Y115 H153 I154 Y155 K190 Q193 | Y115-Y134 PolarHBondContact OH-OH 3.38Å; Y115-Y134 VanDerWaalsContact OH-OH 3.06Å; Y134-H153 AromaticContact CD1-NE2 3.92Å; Y134-H153 AromaticContact CE1-NE2 3.58Å; Y134-I154 HydrophobicContact CE1-CG2 4.31Å; Y134-Y155 HydrophobicContact CD1-CE1 4.44Å; Y134-K190 HydrophobicContact CD1-CB 4.42Å; Y134-K190 HydrophobicContact CD1-CD 3.69Å; Y134-K190 HydrophobicContact CD1-CG 3.75Å; Y134-K190 HydrophobicContact CD2-CD 4.43Å; Y134-K190 HydrophobicContact CE1-CB 4.29Å; Y134-K190 HydrophobicContact CE1-CD 4.08Å; Y134-K190 HydrophobicContact CE1-CG 3.62Å; Y134-K190 HydrophobicContact CG-CD 3.88Å; Y134-K190 VanDerWaalsContact CG-CE 3.48Å; Y134-K190 HydrophobicContact CG-CG 4.35Å; Y134-Q193 PolarHBondContact O-NE2 3.07Å | ||
| 135 | S | 87 | Confident | 89.1 | Confident | 48 Ų | 48 | 55.1 Ų | 55.1 | 34% | 0.336 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -97.6 | 161.3 | 179.3 | 64.7 | 0 | 0 | 0 | 0 | 113.1 | K137 I138 V139 | S135-K137 VanDerWaalsContact C-N 3.34Å; S135-K137 PolarHBondContact O-N 3.17Å; S135-I138 WeakPolarHBondContact O-CA 3.48Å; S135-I138 PolarHBondContact O-N 3.31Å; S135-I138 WeakPolarHBondContact OG-CG1 3.41Å; S135-V139 PolarHBondContact O-N 3.31Å |
| 136 | E | 84.4 | Confident | 88.5 | Confident | 96 Ų | 96 | 56.9 Ų | 56.9 | 45% | 0.449 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -61.2 | -39.2 | 175.6 | -176.5 | 171.2 | -149.1 | 0 | 0 | 112.4 | I138 V139 D140 I210 | E136-I138 PolarHBondContact O-N 2.69Å; E136-I138 VanDerWaalsContact O-N 3.16Å; E136-V139 WeakPolarHBondContact O-CA 3.4Å; E136-V139 WeakPolarHBondContact O-CB 3.28Å; E136-V139 PolarHBondContact O-N 3.18Å; E136-D140 PolarHBondContact O-N 2.69Å; E136-I210 WeakPolarHBondContact OE1-CD1 3.03Å |
| 137 | K | 87.4 | Confident | 87.8 | Confident | 111 Ų | 111 | 58.8 Ų | 58.8 | 48% | 0.483 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -49.9 | -41.8 | 169.6 | 179.3 | -168.5 | 168.7 | -167.4 | 0 | 111.2 | E11 S135 M141 | E11-K137 IonicContact OE1-NZ 3.8Å; E11-K137 PolarHBondContact OE1-NZ 3.03Å; S135-K137 VanDerWaalsContact C-N 3.34Å; S135-K137 PolarHBondContact O-N 3.17Å; K137-M141 HydrophobicContact CD-SD 4.39Å; K137-M141 HydrophobicContact CG-SD 4.04Å; K137-M141 WeakPolarHBondContact O-CB 3.36Å; K137-M141 WeakPolarHBondContact O-CG 2.99Å; K137-M141 PolarHBondContact O-N 3.3Å |
| 138 | I | 90.6 | Very high | 87.1 | Confident | 12 Ų | 12 | 62.2 Ų | 62.2 | 6% | 0.062 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -77.8 | -33.2 | -178.9 | -65.4 | 171.6 | 0 | 0 | 0 | 111.3 | I133 S135 E136 M141 Y142 Y155 | I133-I138 HydrophobicContact CB-CD1 4.49Å; I133-I138 WeakPolarHBondContact O-CD1 2.98Å; I133-I138 WeakPolarHBondContact O-CG2 3.42Å; S135-I138 WeakPolarHBondContact O-CA 3.48Å; S135-I138 PolarHBondContact O-N 3.31Å; S135-I138 WeakPolarHBondContact OG-CG1 3.41Å; E136-I138 PolarHBondContact O-N 2.69Å; E136-I138 VanDerWaalsContact O-N 3.16Å; I138-M141 PolarHBondContact O-N 2.82Å; I138-Y142 HydrophobicContact CG2-CD2 3.68Å; I138-Y142 HydrophobicContact CG2-CE2 3.65Å; I138-Y142 VanDerWaalsContact O-CD2 3.29Å; I138-Y142 WeakPolarHBondContact O-CD2 3.05Å; I138-Y142 PolarHBondContact O-N 2.87Å; I138-Y142 VanDerWaalsContact O-N 3.09Å; I138-Y155 HydrophobicContact CG2-CD2 4.06Å; I138-Y155 HydrophobicContact CG2-CE2 4.12Å |
| 139 | V | 89.8 | Confident | 86.8 | Confident | 3 Ų | 3 | 63.2 Ų | 63.2 | 2% | 0.018 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -56.6 | -51.5 | 169.4 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | S135 E136 M141 Y142 K143 Y155 Y194 V197 V198 | S135-V139 PolarHBondContact O-N 3.31Å; E136-V139 WeakPolarHBondContact O-CA 3.4Å; E136-V139 WeakPolarHBondContact O-CB 3.28Å; E136-V139 PolarHBondContact O-N 3.18Å; V139-M141 VanDerWaalsContact C-N 3.34Å; V139-M141 PolarHBondContact O-N 3.48Å; V139-Y142 PolarHBondContact O-N 2.72Å; V139-K143 PolarHBondContact O-N 3.38Å; V139-Y155 HydrophobicContact CB-CE2 4.44Å; V139-Y155 HydrophobicContact CG2-CD2 4.19Å; V139-Y155 HydrophobicContact CG2-CE2 3.53Å; V139-Y194 HydrophobicContact CB-CD2 4.36Å; V139-Y194 HydrophobicContact CB-CE2 4.36Å; V139-Y194 HydrophobicContact CG1-CD2 3.87Å; V139-Y194 HydrophobicContact CG1-CE2 3.81Å; V139-Y194 HydrophobicContact CG2-CD2 4.2Å; V139-V197 HydrophobicContact CG1-CB 4.2Å; V139-V197 HydrophobicContact CG1-CG1 3.99Å; V139-V198 HydrophobicContact CG1-CG2 3.82Å |
| 140 | D | 87.7 | Confident | 86.8 | Confident | 97 Ų | 97 | 58.2 Ų | 58.2 | 52% | 0.519 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -34.7 | 177.6 | -86.1 | -18.7 | 0 | 0 | 0 | 113 | E136 Y142 K143 | E136-D140 PolarHBondContact O-N 2.69Å; D140-Y142 VanDerWaalsContact C-N 3.32Å; D140-Y142 PolarHBondContact O-N 2.87Å; D140-K143 PolarHBondContact O-N 2.67Å |
| 141 | M | 89.7 | Confident | 87 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 24% | 0.236 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -31 | 174.7 | -77.8 | 171.7 | 62.7 | 0 | 0 | 113.3 | F15 K137 I138 V139 K145 M150 | F15-M141 HydrophobicContact CE2-CE 3.93Å; F15-M141 HydrophobicContact CZ-CE 4.13Å; K137-M141 HydrophobicContact CD-SD 4.39Å; K137-M141 HydrophobicContact CG-SD 4.04Å; K137-M141 WeakPolarHBondContact O-CB 3.36Å; K137-M141 WeakPolarHBondContact O-CG 2.99Å; K137-M141 PolarHBondContact O-N 3.3Å; I138-M141 PolarHBondContact O-N 2.82Å; V139-M141 VanDerWaalsContact C-N 3.34Å; V139-M141 PolarHBondContact O-N 3.48Å; M141-K145 VanDerWaalsContact O-CG 3.24Å; M141-K145 WeakPolarHBondContact O-CG 3.12Å; M141-M150 HydrophobicContact CB-CE 3.88Å; M141-M150 HydrophobicContact CE-CE 3.99Å; M141-M150 WeakPolarHBondContact O-CE 3.25Å |
| 142 | Y | 92.1 | Very high | 87.1 | Confident | 1 Ų | 1 | 49.8 Ų | 49.8 | 0% | 0.004 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -89.1 | -20.4 | 176.3 | -80.8 | -76.1 | 0 | 0 | 0 | 113.8 | L14 I138 V139 D140 G144 K145 M150 P151 H153 Y155 A156 | L14-Y142 HydrophobicContact CD1-CE2 4.21Å; L14-Y142 HydrophobicContact CD2-CE2 4.03Å; I138-Y142 HydrophobicContact CG2-CD2 3.68Å; I138-Y142 HydrophobicContact CG2-CE2 3.65Å; I138-Y142 VanDerWaalsContact O-CD2 3.29Å; I138-Y142 WeakPolarHBondContact O-CD2 3.05Å; I138-Y142 PolarHBondContact O-N 2.87Å; I138-Y142 VanDerWaalsContact O-N 3.09Å; V139-Y142 PolarHBondContact O-N 2.72Å; D140-Y142 VanDerWaalsContact C-N 3.32Å; D140-Y142 PolarHBondContact O-N 2.87Å; Y142-G144 PolarHBondContact O-N 2.72Å; Y142-G144 VanDerWaalsContact O-N 3.11Å; Y142-K145 WeakPolarHBondContact O-CB 3.07Å; Y142-K145 PolarHBondContact O-N 3.49Å; Y142-M150 HydrophobicContact CD1-CB 3.76Å; Y142-M150 HydrophobicContact CD1-CE 4.45Å; Y142-M150 HydrophobicContact CD1-CG 4.18Å; Y142-M150 HydrophobicContact CE1-CB 3.38Å; Y142-M150 HydrophobicContact CE1-CE 4.23Å; Y142-M150 HydrophobicContact CE1-CG 4.22Å; Y142-M150 HydrophobicContact CE2-CE 4.33Å; Y142-P151 WeakPolarHBondContact CE1-O 3.49Å; Y142-P151 PolarHBondContact OH-O 2.69Å; Y142-P151 VanDerWaalsContact OH-O 3.07Å; Y142-H153 HydrophobicContact CE1-CB 3.89Å; Y142-H153 HydrophobicContact CE2-CB 3.76Å; Y142-H153 AromaticContact CE2-CG 3.89Å; Y142-H153 AromaticContact CE2-ND1 3.72Å; Y142-H153 WeakPolarHBondContact OH-CB 3.15Å; Y142-Y155 HydrophobicContact CD2-CD2 4.1Å; Y142-A156 HydrophobicContact CD1-CB 3.76Å; Y142-A156 HydrophobicContact CE1-CB 3.87Å |
| 143 | K | 90.5 | Very high | 87.4 | Confident | 80 Ų | 80 | 47.4 Ų | 47.4 | 35% | 0.348 | 23% | 0.234 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 110.4 | -173 | -169.4 | 170 | -175 | 167.3 | 0 | 113.2 | V139 D140 K145 Y194 V198 | V139-K143 PolarHBondContact O-N 3.38Å; D140-K143 PolarHBondContact O-N 2.67Å; K143-K145 VanDerWaalsContact C-N 3.29Å; K143-K145 PolarHBondContact O-N 2.95Å; K143-Y194 VanDerWaalsContact CA-OH 3.23Å; K143-Y194 WeakPolarHBondContact CA-OH 3.06Å; K143-Y194 PolarHBondContact N-OH 2.83Å; K143-V198 HydrophobicContact CD-CG2 4.18Å; K143-V198 HydrophobicContact CG-CG1 4.26Å; K143-V198 HydrophobicContact CG-CG2 4.17Å |
| 144 | G | 85.3 | Confident | 87.6 | Confident | 43 Ų | 43 | 47.3 Ų | 47.3 | 44% | 0.443 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.3 | 10.9 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115 | Y142 D159 R163 | Y142-G144 PolarHBondContact O-N 2.72Å; Y142-G144 VanDerWaalsContact O-N 3.11Å; G144-D159 WeakPolarHBondContact CA-OD2 3.49Å; G144-D159 PolarHBondContact N-OD2 2.57Å; G144-R163 PolarHBondContact O-NH1 3.1Å; G144-R163 VanDerWaalsContact O-NH1 3.14Å |
| 145 | K | 87.8 | Confident | 87.8 | Confident | 93 Ų | 93 | 44.9 Ų | 44.9 | 40% | 0.404 | 22% | 0.224 | S | C | . | . | trans | -87.9 | 131.2 | -176.1 | -66.9 | -56.8 | -170.8 | 174.3 | 0 | 112.7 | M141 Y142 K143 E149 M150 R163 | M141-K145 VanDerWaalsContact O-CG 3.24Å; M141-K145 WeakPolarHBondContact O-CG 3.12Å; Y142-K145 WeakPolarHBondContact O-CB 3.07Å; Y142-K145 PolarHBondContact O-N 3.49Å; K143-K145 VanDerWaalsContact C-N 3.29Å; K143-K145 PolarHBondContact O-N 2.95Å; K145-E149 VanDerWaalsContact CA-OE2 3.32Å; K145-E149 WeakPolarHBondContact CA-OE2 3.41Å; K145-E149 HydrophobicContact CB-CB 4.49Å; K145-E149 VanDerWaalsContact CD-OE2 3.22Å; K145-E149 WeakPolarHBondContact CD-OE2 3.43Å; K145-M150 HydrophobicContact CB-CG 3.57Å; K145-M150 HydrophobicContact CG-CG 3.81Å; K145-M150 HydrophobicContact CG-SD 4.5Å; K145-R163 PolarHBondContact O-NH1 3.36Å; K145-R163 PolarHBondContact O-NH2 3.09Å | ||
| 146 | K | 80.7 | Confident | 88.1 | Confident | 38 Ų | 38 | 42.7 Ų | 42.7 | 17% | 0.165 | 21% | 0.209 | C | C | . | . | trans | -61.5 | 150.5 | 179.7 | -56.7 | 173.6 | -163.7 | 165 | 0 | 109.8 | H148 E149 D783 | K146-H148 PolarHBondContact O-N 2.82Å; K146-E149 HydrophobicContact CB-CG 3.92Å; K146-E149 WeakPolarHBondContact CD-OE1 3.04Å; K146-E149 WeakPolarHBondContact CE-OE1 3.21Å; K146-E149 HydrophobicContact CG-CG 4.46Å; K146-E149 VanDerWaalsContact CG-OE1 3.26Å; K146-E149 WeakPolarHBondContact CG-OE1 3.4Å; K146-E149 PolarHBondContact N-OE2 3.44Å; K146-E149 IonicContact NZ-OE1 2.79Å; K146-E149 WeakPolarHBondContact O-CB 3.38Å; K146-E149 PolarHBondContact O-N 2.66Å; K146-D783 IonicContact NZ-OD2 2.84Å; K146-D783 PolarHBondContact NZ-OD2 3.07Å | ||
| 147 | R | 79.3 | Confident | 88.5 | Confident | 67 Ų | 67 | 38.9 Ų | 38.9 | 25% | 0.253 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -25 | -172 | -175.1 | 178.6 | 151.1 | -156.2 | -19.4 | 115.1 | D89 Y117 G119 | D89-R147 IonicContact OD2-NH2 2.63Å; D89-R147 PolarHBondContact OD2-NH2 3.44Å; Y117-R147 HydrophobicContact CE1-CG 3.98Å; Y117-R147 HydrophobicContact CE2-CG 3.76Å; Y117-R147 WeakPolarHBondContact CE2-O 3.21Å; Y117-R147 VanDerWaalsContact CZ-CG 3.46Å; Y117-R147 WeakPolarHBondContact OH-CG 2.89Å; Y117-R147 PolarHBondContact OH-O 2.78Å; G119-R147 VanDerWaalsContact O-CZ 3.24Å; G119-R147 PolarHBondContact O-NH1 2.99Å; G119-R147 PolarHBondContact O-NH2 3.41Å |
| 148 | H | 77.1 | Confident | 88.8 | Confident | 94 Ų | 94 | 33.6 Ų | 33.6 | 44% | 0.435 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -12.7 | 178.4 | 53.6 | -96.4 | 0 | 0 | 0 | 114.4 | K146 M150 A776 | K146-H148 PolarHBondContact O-N 2.82Å; H148-M150 PolarHBondContact O-N 2.78Å; H148-A776 WeakPolarHBondContact CE1-CB 3.33Å |
| 149 | E | 81.3 | Confident | 88.9 | Confident | 80 Ų | 80 | 33.2 Ų | 33.2 | 37% | 0.374 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -73.7 | -20.6 | 176.8 | -71 | 169.6 | -177.3 | 0 | 0 | 112.1 | K145 K146 | K145-E149 VanDerWaalsContact CA-OE2 3.32Å; K145-E149 WeakPolarHBondContact CA-OE2 3.41Å; K145-E149 HydrophobicContact CB-CB 4.49Å; K145-E149 VanDerWaalsContact CD-OE2 3.22Å; K145-E149 WeakPolarHBondContact CD-OE2 3.43Å; K146-E149 HydrophobicContact CB-CG 3.92Å; K146-E149 WeakPolarHBondContact CD-OE1 3.04Å; K146-E149 WeakPolarHBondContact CE-OE1 3.21Å; K146-E149 HydrophobicContact CG-CG 4.46Å; K146-E149 VanDerWaalsContact CG-OE1 3.26Å; K146-E149 WeakPolarHBondContact CG-OE1 3.4Å; K146-E149 PolarHBondContact N-OE2 3.44Å; K146-E149 IonicContact NZ-OE1 2.79Å; K146-E149 WeakPolarHBondContact O-CB 3.38Å; K146-E149 PolarHBondContact O-N 2.66Å |
| 150 | M | 86.7 | Confident | 89 | Confident | 22 Ų | 22 | 34.9 Ų | 34.9 | 11% | 0.108 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -134.9 | 152.5 | -174.4 | -66.6 | -64.9 | -62.7 | 0 | 0 | 110.5 | F15 M141 Y142 K145 H148 | F15-M150 HydrophobicContact CZ-CE 4.29Å; M141-M150 HydrophobicContact CB-CE 3.88Å; M141-M150 HydrophobicContact CE-CE 3.99Å; M141-M150 WeakPolarHBondContact O-CE 3.25Å; Y142-M150 HydrophobicContact CD1-CB 3.76Å; Y142-M150 HydrophobicContact CD1-CE 4.45Å; Y142-M150 HydrophobicContact CD1-CG 4.18Å; Y142-M150 HydrophobicContact CE1-CB 3.38Å; Y142-M150 HydrophobicContact CE1-CE 4.23Å; Y142-M150 HydrophobicContact CE1-CG 4.22Å; Y142-M150 HydrophobicContact CE2-CE 4.33Å; K145-M150 HydrophobicContact CB-CG 3.57Å; K145-M150 HydrophobicContact CG-CG 3.81Å; K145-M150 HydrophobicContact CG-SD 4.5Å; H148-M150 PolarHBondContact O-N 2.78Å |
| 151 | P | 89.6 | Confident | 89.2 | Confident | 3 Ų | 3 | 30.3 Ų | 30.3 | 2% | 0.019 | 15% | 0.152 | C | C | . | . | trans | -60 | 167.1 | -179.8 | -24.3 | 34.7 | 0 | 0 | 0 | 114.1 | L14 F15 Y142 H153 | L14-P151 HydrophobicContact CG-CG 4.5Å; L14-P151 WeakPolarHBondContact O-CB 3.14Å; L14-P151 WeakPolarHBondContact O-CG 3.23Å; F15-P151 HydrophobicContact CD1-CG 3.42Å; F15-P151 VanDerWaalsContact CD1-CG 3.42Å; F15-P151 HydrophobicContact CE1-CG 3.44Å; F15-P151 VanDerWaalsContact CE1-CG 3.44Å; F15-P151 HydrophobicContact CG-CG 4Å; F15-P151 HydrophobicContact CZ-CG 4.03Å; Y142-P151 WeakPolarHBondContact CE1-O 3.49Å; Y142-P151 PolarHBondContact OH-O 2.69Å; Y142-P151 VanDerWaalsContact OH-O 3.07Å; P151-H153 PolarHBondContact O-N 3.31Å | ||
| 152 | P | 93 | Very high | 89.4 | Confident | 6 Ų | 6 | 29.2 Ų | 29.2 | 4% | 0.039 | 15% | 0.145 | C | C | . | . | S | Bend | trans | -60.6 | 123.8 | 173.3 | -19.1 | 30.6 | 0 | 0 | 0 | 111.5 | E88 Y115 Y117 | E88-P152 HydrophobicContact CB-CG 3.91Å; E88-P152 HydrophobicContact CG-CG 4.5Å; E88-P152 WeakPolarHBondContact O-CG 2.98Å; Y115-P152 VanDerWaalsContact CB-O 3.25Å; Y115-P152 WeakPolarHBondContact CB-O 3.46Å; Y117-P152 HydrophobicContact CD1-CB 4.17Å; Y117-P152 HydrophobicContact CD2-CB 3.99Å; Y117-P152 HydrophobicContact CD2-CG 3.67Å; Y117-P152 HydrophobicContact CE1-CB 4.14Å; Y117-P152 HydrophobicContact CE2-CB 3.96Å; Y117-P152 HydrophobicContact CE2-CG 3.84Å; Y117-P152 HydrophobicContact CG-CB 4.07Å; Y117-P152 HydrophobicContact CG-CG 4.09Å |
| 153 | H | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 16% | 0.158 | C | C | . | . | trans | -158.2 | 152 | 175.5 | -167.2 | -117.9 | 0 | 0 | 0 | 111.2 | Y115 Y134 Y142 P151 Y155 A156 I157 | Y115-H153 AromaticContact CD2-CD2 3.47Å; Y115-H153 VanDerWaalsContact CD2-CD2 3.47Å; Y115-H153 WeakPolarHBondContact CD2-CD2 3.05Å; Y115-H153 AromaticContact CE2-CD2 3.41Å; Y115-H153 VanDerWaalsContact CE2-CD2 3.41Å; Y115-H153 WeakPolarHBondContact CE2-CD2 3.42Å; Y115-H153 AromaticContact CE2-NE2 3.77Å; Y134-H153 AromaticContact CD1-NE2 3.92Å; Y134-H153 AromaticContact CE1-NE2 3.58Å; Y142-H153 HydrophobicContact CE1-CB 3.89Å; Y142-H153 HydrophobicContact CE2-CB 3.76Å; Y142-H153 AromaticContact CE2-CG 3.89Å; Y142-H153 AromaticContact CE2-ND1 3.72Å; Y142-H153 WeakPolarHBondContact OH-CB 3.15Å; P151-H153 PolarHBondContact O-N 3.31Å; H153-Y155 AromaticContact CE1-CD1 3.82Å; H153-Y155 AromaticContact CE1-CD2 3.48Å; H153-Y155 VanDerWaalsContact CE1-CD2 3.48Å; H153-Y155 WeakPolarHBondContact CE1-CD2 3.41Å; H153-Y155 AromaticContact CE1-CE2 3.77Å; H153-Y155 AromaticContact CE1-CG 3.51Å; H153-Y155 WeakPolarHBondContact ND1-CB 3.46Å; H153-Y155 AromaticContact ND1-CD1 3.94Å; H153-Y155 AromaticContact ND1-CD2 3.49Å; H153-Y155 WeakPolarHBondContact ND1-CD2 3.08Å; H153-Y155 AromaticContact ND1-CG 3.3Å; H153-Y155 VanDerWaalsContact ND1-CG 3.3Å; H153-Y155 PolarHBondContact ND1-N 2.68Å; H153-Y155 PolarHBondContact O-N 2.76Å; H153-Y155 VanDerWaalsContact O-N 3.17Å; H153-A156 WeakPolarHBondContact O-CB 3.15Å; H153-A156 PolarHBondContact O-N 2.76Å; H153-I157 PolarHBondContact O-N 2.64Å | ||
| 154 | I | 94.8 | Very high | 89.3 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -57.4 | -31.6 | 178.1 | -169.7 | 60.2 | 0 | 0 | 0 | 113 | Y115 Y134 I157 A158 N187 K190 V191 V676 | Y115-I154 HydrophobicContact CD1-CB 4.49Å; Y115-I154 HydrophobicContact CE1-CB 3.68Å; Y115-I154 HydrophobicContact CE1-CG2 4.29Å; Y115-I154 HydrophobicContact CE2-CG2 4.35Å; Y115-I154 WeakPolarHBondContact OH-CG2 3.25Å; Y134-I154 HydrophobicContact CE1-CG2 4.31Å; I154-I157 HydrophobicContact CD1-CD1 4.29Å; I154-I157 PolarHBondContact O-N 3.38Å; I154-A158 PolarHBondContact O-N 2.66Å; I154-N187 HydrophobicContact CD1-CB 4.38Å; I154-N187 HydrophobicContact CG1-CB 4.5Å; I154-K190 HydrophobicContact CG2-CB 3.76Å; I154-V191 HydrophobicContact CD1-CG2 3.69Å; I154-V191 HydrophobicContact CG1-CG2 3.63Å; I154-V676 HydrophobicContact CD1-CG1 4.27Å; I154-V676 HydrophobicContact CD1-CG2 4.05Å |
| 155 | Y | 94.9 | Very high | 89.6 | Confident | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65 | -35.9 | 174.9 | -65.6 | -7.6 | 0 | 0 | 0 | 112.9 | Y134 I138 V139 Y142 H153 I157 A158 D159 K190 Y194 | Y134-Y155 HydrophobicContact CD1-CE1 4.44Å; I138-Y155 HydrophobicContact CG2-CD2 4.06Å; I138-Y155 HydrophobicContact CG2-CE2 4.12Å; V139-Y155 HydrophobicContact CB-CE2 4.44Å; V139-Y155 HydrophobicContact CG2-CD2 4.19Å; V139-Y155 HydrophobicContact CG2-CE2 3.53Å; Y142-Y155 HydrophobicContact CD2-CD2 4.1Å; H153-Y155 AromaticContact CE1-CD1 3.82Å; H153-Y155 AromaticContact CE1-CD2 3.48Å; H153-Y155 VanDerWaalsContact CE1-CD2 3.48Å; H153-Y155 WeakPolarHBondContact CE1-CD2 3.41Å; H153-Y155 AromaticContact CE1-CE2 3.77Å; H153-Y155 AromaticContact CE1-CG 3.51Å; H153-Y155 WeakPolarHBondContact ND1-CB 3.46Å; H153-Y155 AromaticContact ND1-CD1 3.94Å; H153-Y155 AromaticContact ND1-CD2 3.49Å; H153-Y155 WeakPolarHBondContact ND1-CD2 3.08Å; H153-Y155 AromaticContact ND1-CG 3.3Å; H153-Y155 VanDerWaalsContact ND1-CG 3.3Å; H153-Y155 PolarHBondContact ND1-N 2.68Å; H153-Y155 PolarHBondContact O-N 2.76Å; H153-Y155 VanDerWaalsContact O-N 3.17Å; Y155-I157 VanDerWaalsContact C-N 3.3Å; Y155-I157 PolarHBondContact O-N 2.74Å; Y155-A158 PolarHBondContact O-N 2.86Å; Y155-D159 WeakPolarHBondContact O-CB 2.83Å; Y155-D159 PolarHBondContact O-N 3.03Å; Y155-K190 HydrophobicContact CE1-CB 4.18Å; Y155-K190 WeakPolarHBondContact CE1-O 3.1Å; Y155-Y194 AromaticContact CD1-CD2 3.61Å; Y155-Y194 HydrophobicContact CD1-CD2 3.61Å; Y155-Y194 AromaticContact CD1-CG 3.94Å; Y155-Y194 HydrophobicContact CD1-CG 3.94Å; Y155-Y194 AromaticContact CD2-CD2 3.66Å; Y155-Y194 HydrophobicContact CD2-CD2 3.66Å; Y155-Y194 HydrophobicContact CD2-CE2 4.01Å; Y155-Y194 HydrophobicContact CE1-CD2 4.2Å; Y155-Y194 HydrophobicContact CE2-CD2 4.25Å; Y155-Y194 AromaticContact CG-CD2 3.31Å; Y155-Y194 HydrophobicContact CG-CD2 3.31Å; Y155-Y194 AromaticContact CG-CE2 3.83Å; Y155-Y194 HydrophobicContact CG-CE2 3.83Å; Y155-Y194 HydrophobicContact CG-CG 4.04Å |
| 156 | A | 93 | Very high | 89.7 | Confident | 2 Ų | 2 | 27.2 Ų | 27.2 | 2% | 0.017 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.7 | -34.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | Y117 Y142 H153 T160 | Y117-A156 VanDerWaalsContact OH-CB 3.25Å; Y117-A156 WeakPolarHBondContact OH-CB 2.86Å; Y142-A156 HydrophobicContact CD1-CB 3.76Å; Y142-A156 HydrophobicContact CE1-CB 3.87Å; H153-A156 WeakPolarHBondContact O-CB 3.15Å; H153-A156 PolarHBondContact O-N 2.76Å; A156-T160 VanDerWaalsContact O-CB 3.29Å; A156-T160 WeakPolarHBondContact O-CB 3.3Å; A156-T160 PolarHBondContact O-N 2.76Å; A156-T160 PolarHBondContact O-OG1 2.65Å |
| 157 | I | 92.9 | Very high | 89.9 | Confident | 16 Ų | 16 | 30.5 Ų | 30.5 | 8% | 0.082 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.7 | -47 | 176 | -53 | 173.6 | 0 | 0 | 0 | 109.8 | C122 H153 I154 Y155 D159 T160 A161 N674 V676 | C122-I157 HydrophobicContact CB-CD1 3.39Å; C122-I157 HydrophobicContact CB-CG1 4.47Å; H153-I157 PolarHBondContact O-N 2.64Å; I154-I157 HydrophobicContact CD1-CD1 4.29Å; I154-I157 PolarHBondContact O-N 3.38Å; Y155-I157 VanDerWaalsContact C-N 3.3Å; Y155-I157 PolarHBondContact O-N 2.74Å; I157-D159 PolarHBondContact O-N 3.07Å; I157-T160 PolarHBondContact O-N 2.68Å; I157-A161 PolarHBondContact O-N 2.68Å; I157-N674 HydrophobicContact CG2-CB 4.35Å; I157-V676 HydrophobicContact CD1-CG2 3.97Å; I157-V676 HydrophobicContact CG2-CG2 4.4Å |
| 158 | A | 94.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.9 | -43.7 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | I154 Y155 Y162 V191 Y194 | I154-A158 PolarHBondContact O-N 2.66Å; Y155-A158 PolarHBondContact O-N 2.86Å; A158-Y162 WeakPolarHBondContact O-CB 3Å; A158-Y162 PolarHBondContact O-N 2.74Å; A158-V191 HydrophobicContact CB-CG1 4.13Å; A158-Y194 HydrophobicContact CB-CD1 3.75Å; A158-Y194 HydrophobicContact CB-CE1 4.43Å; A158-Y194 HydrophobicContact CB-CG 4.32Å |
| 159 | D | 93.6 | Very high | 90.6 | Very high | 3 Ų | 3 | 36 Ų | 36 | 2% | 0.016 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -73.5 | -25.3 | 178.5 | -161.1 | 57.7 | 0 | 0 | 0 | 113.6 | G144 Y155 I157 R163 Y194 | G144-D159 WeakPolarHBondContact CA-OD2 3.49Å; G144-D159 PolarHBondContact N-OD2 2.57Å; Y155-D159 WeakPolarHBondContact O-CB 2.83Å; Y155-D159 PolarHBondContact O-N 3.03Å; I157-D159 PolarHBondContact O-N 3.07Å; D159-R163 WeakPolarHBondContact O-CB 3.04Å; D159-R163 WeakPolarHBondContact O-CG 3.42Å; D159-R163 PolarHBondContact O-N 3.28Å; D159-R163 PolarHBondContact O-NE 3.06Å; D159-R163 IonicContact OD2-CZ 3.62Å; D159-R163 IonicContact OD2-NE 3.81Å; D159-R163 PolarHBondContact OD2-NE 2.82Å; D159-R163 IonicContact OD2-NH2 2.7Å; D159-R163 PolarHBondContact OD2-NH2 3.42Å; D159-Y194 HydrophobicContact CB-CE1 3.55Å; D159-Y194 WeakPolarHBondContact CB-OH 3.04Å; D159-Y194 VanDerWaalsContact CG-OH 3.26Å; D159-Y194 PolarHBondContact OD1-OH 3.32Å |
| 160 | T | 90.9 | Very high | 90.9 | Very high | 39 Ų | 39 | 38 Ų | 38 | 24% | 0.239 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.6 | -54 | 171.7 | -59.9 | 0 | 0 | 0 | 0 | 109.7 | A156 I157 Y162 R163 S164 | A156-T160 VanDerWaalsContact O-CB 3.29Å; A156-T160 WeakPolarHBondContact O-CB 3.3Å; A156-T160 PolarHBondContact O-N 2.76Å; A156-T160 PolarHBondContact O-OG1 2.65Å; I157-T160 PolarHBondContact O-N 2.68Å; T160-Y162 VanDerWaalsContact C-N 3.32Å; T160-Y162 PolarHBondContact O-N 3.37Å; T160-R163 PolarHBondContact O-N 3.48Å; T160-R163 VanDerWaalsContact O-N 3.08Å; T160-S164 PolarHBondContact O-N 2.83Å |
| 161 | A | 92.8 | Very high | 91.2 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.9 | -41.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | I157 R163 S164 M165 I174 L455 | I157-A161 PolarHBondContact O-N 2.68Å; A161-R163 PolarHBondContact O-N 2.79Å; A161-S164 PolarHBondContact O-N 2.9Å; A161-M165 WeakPolarHBondContact O-CB 3.21Å; A161-M165 PolarHBondContact O-N 3.26Å; A161-I174 HydrophobicContact CB-CD1 4.11Å; A161-I174 HydrophobicContact CB-CG1 4.24Å; A161-L455 HydrophobicContact CB-CD1 3.89Å |
| 162 | Y | 93.9 | Very high | 91.4 | Very high | 26 Ų | 26 | 39.1 Ų | 39.1 | 10% | 0.102 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.8 | -39.7 | 173.9 | 174.5 | -113.9 | 0 | 0 | 0 | 112.7 | A158 T160 M165 L166 L195 V198 A199 F250 G254 | A158-Y162 WeakPolarHBondContact O-CB 3Å; A158-Y162 PolarHBondContact O-N 2.74Å; T160-Y162 VanDerWaalsContact C-N 3.32Å; T160-Y162 PolarHBondContact O-N 3.37Å; Y162-M165 HydrophobicContact CD2-CE 3.89Å; Y162-M165 HydrophobicContact CE2-CE 4.18Å; Y162-L166 HydrophobicContact CD1-CD1 4.42Å; Y162-L166 HydrophobicContact CD2-CD1 4.42Å; Y162-L166 HydrophobicContact CE1-CD1 3.91Å; Y162-L166 HydrophobicContact CE2-CD1 3.9Å; Y162-L166 HydrophobicContact CE2-CG 4.48Å; Y162-L166 WeakPolarHBondContact O-CG 2.89Å; Y162-L166 PolarHBondContact O-N 3.33Å; Y162-L195 HydrophobicContact CD2-CD2 4.38Å; Y162-L195 HydrophobicContact CG-CD2 4.36Å; Y162-V198 HydrophobicContact CD1-CG1 4.29Å; Y162-V198 HydrophobicContact CE1-CG1 4Å; Y162-A199 HydrophobicContact CE2-CB 3.81Å; Y162-F250 HydrophobicContact CD2-CE1 4.09Å; Y162-F250 HydrophobicContact CD2-CZ 4.44Å; Y162-F250 HydrophobicContact CE2-CD1 4.16Å; Y162-F250 AromaticContact CE2-CE1 3.92Å; Y162-F250 HydrophobicContact CE2-CE1 3.92Å; Y162-G254 PolarHBondContact OH-O 2.71Å; Y162-G254 VanDerWaalsContact OH-O 3.07Å |
| 163 | R | 90.9 | Very high | 91.5 | Very high | 73 Ų | 73 | 38.9 Ų | 38.9 | 28% | 0.275 | 18% | 0.182 | S | C | . | . | H | α-helix | trans | -74.9 | -38.1 | 176.6 | -81.1 | 177.8 | -71.2 | 160.5 | -2 | 113.5 | G144 K145 D159 T160 A161 L166 Q167 | G144-R163 PolarHBondContact O-NH1 3.1Å; G144-R163 VanDerWaalsContact O-NH1 3.14Å; K145-R163 PolarHBondContact O-NH1 3.36Å; K145-R163 PolarHBondContact O-NH2 3.09Å; D159-R163 WeakPolarHBondContact O-CB 3.04Å; D159-R163 WeakPolarHBondContact O-CG 3.42Å; D159-R163 PolarHBondContact O-N 3.28Å; D159-R163 PolarHBondContact O-NE 3.06Å; D159-R163 IonicContact OD2-CZ 3.62Å; D159-R163 IonicContact OD2-NE 3.81Å; D159-R163 PolarHBondContact OD2-NE 2.82Å; D159-R163 IonicContact OD2-NH2 2.7Å; D159-R163 PolarHBondContact OD2-NH2 3.42Å; T160-R163 PolarHBondContact O-N 3.48Å; T160-R163 VanDerWaalsContact O-N 3.08Å; A161-R163 PolarHBondContact O-N 2.79Å; R163-L166 PolarHBondContact O-N 2.91Å; R163-Q167 WeakPolarHBondContact O-CB 3.35Å; R163-Q167 PolarHBondContact O-N 2.78Å |
| 164 | S | 89 | Confident | 91.6 | Very high | 35 Ų | 35 | 38.8 Ų | 38.8 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -58.8 | -48.4 | 171.6 | -78.8 | 0 | 0 | 0 | 0 | 111.3 | T160 A161 L166 Q167 D168 | T160-S164 PolarHBondContact O-N 2.83Å; A161-S164 PolarHBondContact O-N 2.9Å; S164-L166 PolarHBondContact O-N 3.45Å; S164-L166 VanDerWaalsContact O-N 3.09Å; S164-Q167 PolarHBondContact O-N 3.34Å; S164-Q167 VanDerWaalsContact O-N 3.11Å; S164-D168 WeakPolarHBondContact CA-OD2 3.26Å; S164-D168 VanDerWaalsContact CB-OD2 3.26Å; S164-D168 WeakPolarHBondContact CB-OD2 3.02Å; S164-D168 VanDerWaalsContact O-CB 3.3Å; S164-D168 WeakPolarHBondContact O-CB 3.21Å; S164-D168 VanDerWaalsContact O-CG 3.25Å; S164-D168 PolarHBondContact O-N 3.1Å; S164-D168 VanDerWaalsContact O-OD2 3.12Å |
| 165 | M | 92.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 38.8 Ų | 38.8 | 1% | 0.01 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.8 | -34.6 | 174.3 | -171.9 | -168.5 | 72.1 | 0 | 0 | 113.4 | A161 Y162 R169 Q172 F250 S453 | A161-M165 WeakPolarHBondContact O-CB 3.21Å; A161-M165 PolarHBondContact O-N 3.26Å; Y162-M165 HydrophobicContact CD2-CE 3.89Å; Y162-M165 HydrophobicContact CE2-CE 4.18Å; M165-R169 WeakPolarHBondContact O-CA 3.33Å; M165-R169 PolarHBondContact O-N 3.4Å; M165-Q172 HydrophobicContact CB-CG 3.7Å; M165-Q172 HydrophobicContact CG-CG 4.37Å; M165-F250 HydrophobicContact CE-CB 3.86Å; M165-F250 HydrophobicContact CE-CD1 3.93Å; M165-F250 HydrophobicContact CE-CD2 3.45Å; M165-F250 VanDerWaalsContact CE-CD2 3.45Å; M165-F250 HydrophobicContact CE-CE1 4.3Å; M165-F250 HydrophobicContact CE-CE2 3.88Å; M165-F250 HydrophobicContact CE-CG 3.47Å; M165-F250 VanDerWaalsContact CE-CG 3.47Å; M165-F250 HydrophobicContact CE-CZ 4.28Å; M165-F250 HydrophobicContact SD-CD2 3.46Å; M165-F250 WeakPolarHBondContact SD-CD2 3.29Å; M165-F250 HydrophobicContact SD-CE2 3.77Å; M165-F250 HydrophobicContact SD-CG 4.12Å; M165-S453 WeakPolarHBondContact CG-OG 3.33Å |
| 166 | L | 88.8 | Confident | 91.4 | Very high | 64 Ų | 64 | 38.8 Ų | 38.8 | 34% | 0.335 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -86.3 | -30.6 | 179 | -66.6 | 176.2 | 0 | 0 | 0 | 114.2 | Y162 R163 S164 | Y162-L166 HydrophobicContact CD1-CD1 4.42Å; Y162-L166 HydrophobicContact CD2-CD1 4.42Å; Y162-L166 HydrophobicContact CE1-CD1 3.91Å; Y162-L166 HydrophobicContact CE2-CD1 3.9Å; Y162-L166 HydrophobicContact CE2-CG 4.48Å; Y162-L166 WeakPolarHBondContact O-CG 2.89Å; Y162-L166 PolarHBondContact O-N 3.33Å; R163-L166 PolarHBondContact O-N 2.91Å; S164-L166 PolarHBondContact O-N 3.45Å; S164-L166 VanDerWaalsContact O-N 3.09Å |
| 167 | Q | 86.2 | Confident | 91.2 | Very high | 107 Ų | 107 | 39.1 Ų | 39.1 | 50% | 0.5 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -78.2 | -52.9 | 178 | -172.4 | -172.2 | -93.2 | 0 | 0 | 110.5 | R163 S164 R727 | R163-Q167 WeakPolarHBondContact O-CB 3.35Å; R163-Q167 PolarHBondContact O-N 2.78Å; S164-Q167 PolarHBondContact O-N 3.34Å; S164-Q167 VanDerWaalsContact O-N 3.11Å; Q167-R727 VanDerWaalsContact OE1-NH1 3.13Å |
| 168 | D | 84.1 | Confident | 90.8 | Very high | 72 Ų | 72 | 38.4 Ų | 38.4 | 39% | 0.385 | 18% | 0.18 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -23.3 | -168.5 | -45.2 | -34.1 | 0 | 0 | 0 | 110.9 | S164 E170 | S164-D168 WeakPolarHBondContact CA-OD2 3.26Å; S164-D168 VanDerWaalsContact CB-OD2 3.26Å; S164-D168 WeakPolarHBondContact CB-OD2 3.02Å; S164-D168 VanDerWaalsContact O-CB 3.3Å; S164-D168 WeakPolarHBondContact O-CB 3.21Å; S164-D168 VanDerWaalsContact O-CG 3.25Å; S164-D168 PolarHBondContact O-N 3.1Å; S164-D168 VanDerWaalsContact O-OD2 3.12Å; D168-E170 PolarHBondContact O-N 3.34Å |
| 169 | R | 86.3 | Confident | 90.2 | Very high | 205 Ų | 205 | 39.9 Ų | 39.9 | 77% | 0.774 | 19% | 0.187 | S | C | * | . | trans | 63.2 | 18.9 | -176.8 | -52.1 | -178.5 | 180 | -177.8 | 0.5 | 114.8 | M165 | M165-R169 WeakPolarHBondContact O-CA 3.33Å; M165-R169 PolarHBondContact O-N 3.4Å | ||
| 170 | E | 87.9 | Confident | 89.7 | Confident | 121 Ų | 121 | 39.8 Ų | 39.8 | 57% | 0.565 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -102.7 | 151 | 174.4 | -63.7 | -173.4 | 167.3 | 0 | 0 | 111.4 | D168 | D168-E170 PolarHBondContact O-N 3.34Š|
| 171 | D | 92.6 | Very high | 89.2 | Confident | 48 Ų | 48 | 38.1 Ų | 38.1 | 26% | 0.257 | 18% | 0.177 | S | C | . | . | trans | -68.4 | 139.6 | 179.4 | -67.1 | -40.1 | 0 | 0 | 0 | 111.7 | S453 F454 T671 T672 | D171-S453 WeakPolarHBondContact OD1-CA 3.11Å; D171-F454 HydrophobicContact CB-CD1 3.8Å; D171-F454 HydrophobicContact CB-CE1 3.61Å; D171-F454 HydrophobicContact CB-CG 4.4Å; D171-F454 HydrophobicContact CB-CZ 4.05Å; D171-F454 WeakPolarHBondContact OD1-CD1 3.43Å; D171-F454 PolarHBondContact OD1-N 3.48Å; D171-F454 VanDerWaalsContact OD2-CD1 3.25Å; D171-F454 WeakPolarHBondContact OD2-CD1 3.41Å; D171-F454 WeakPolarHBondContact OD2-CE1 3.45Å; D171-T671 HydrophobicContact CB-CG2 3.79Å; D171-T671 CarbonylContact O-C 3.42Å; D171-T671 VanDerWaalsContact O-CA 3.24Å; D171-T671 WeakPolarHBondContact O-CA 3.35Å; D171-T671 WeakPolarHBondContact O-CB 3.31Å; D171-T672 PolarHBondContact O-N 2.78Å | ||
| 172 | Q | 94.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 151.1 | -173.1 | -62.6 | -71.4 | -43 | 0 | 0 | 110.2 | M165 F454 L455 G456 N674 | M165-Q172 HydrophobicContact CB-CG 3.7Å; M165-Q172 HydrophobicContact CG-CG 4.37Å; Q172-F454 PolarHBondContact N-O 2.79Å; Q172-F454 VanDerWaalsContact N-O 3.14Å; Q172-L455 HydrophobicContact CB-CD1 3.74Å; Q172-L455 CarbonylContact O-C 3.6Å; Q172-L455 VanDerWaalsContact O-CA 3.32Å; Q172-L455 WeakPolarHBondContact O-CA 3.33Å; Q172-G456 PolarHBondContact O-N 2.88Å; Q172-N674 PolarHBondContact OE1-ND2 3.13Å |
| 173 | S | 94.9 | Very high | 88.5 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.7 | 154.8 | 170.3 | 58.2 | 0 | 0 | 0 | 0 | 113.1 | L175 G456 T671 T672 P673 N674 | S173-L175 WeakPolarHBondContact OG-CD1 3.31Å; S173-G456 CarbonylContact C-O 3.55Å; S173-G456 WeakPolarHBondContact CA-O 3.38Å; S173-G456 WeakPolarHBondContact CB-O 2.85Å; S173-T671 VanDerWaalsContact CB-OG1 3.28Å; S173-T671 WeakPolarHBondContact CB-OG1 3.37Å; S173-T671 PolarHBondContact OG-OG1 3.33Å; S173-T672 PolarHBondContact N-O 3.45Å; S173-P673 WeakPolarHBondContact OG-CA 3.34Å; S173-N674 VanDerWaalsContact O-CB 3.3Å; S173-N674 WeakPolarHBondContact O-CB 3.25Å; S173-N674 PolarHBondContact O-N 2.64Å; S173-N674 PolarHBondContact O-ND2 3.14Å |
| 174 | I | 95.8 | Very high | 88.3 | Confident | 0 Ų | 0 | 34.9 Ų | 34.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.4 | 119.5 | 174.7 | -59.1 | 177 | 0 | 0 | 0 | 108 | A161 V191 L455 G456 I457 L458 N674 V676 | A161-I174 HydrophobicContact CB-CD1 4.11Å; A161-I174 HydrophobicContact CB-CG1 4.24Å; I174-V191 HydrophobicContact CD1-CG1 3.8Å; I174-V191 HydrophobicContact CD1-CG2 4.48Å; I174-V191 HydrophobicContact CG2-CG2 4.49Å; I174-L455 HydrophobicContact CD1-CD1 4.19Å; I174-L455 HydrophobicContact CD1-CD2 4.05Å; I174-L455 HydrophobicContact CG1-CD1 4.21Å; I174-G456 PolarHBondContact N-O 3.5Å; I174-I457 WeakPolarHBondContact O-CA 3.29Å; I174-L458 PolarHBondContact O-N 3.41Å; I174-N674 WeakPolarHBondContact CA-O 3.42Å; I174-N674 HydrophobicContact CG1-CB 4.15Å; I174-V676 HydrophobicContact CG2-CG2 4.05Å |
| 175 | L | 93.7 | Very high | 88.2 | Confident | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 103.8 | -173.4 | -66.1 | 85.4 | 0 | 0 | 0 | 110.9 | S173 T177 L458 L483 L486 L668 P673 N674 F675 V676 | S173-L175 WeakPolarHBondContact OG-CD1 3.31Å; L175-T177 HydrophobicContact CB-CG2 4.44Å; L175-T177 PolarHBondContact O-N 2.68Å; L175-L458 HydrophobicContact CD2-CD2 4.19Å; L175-L458 HydrophobicContact CG-CB 4.4Å; L175-L458 HydrophobicContact CG-CD2 4.4Å; L175-L483 HydrophobicContact CD2-CD2 4.33Å; L175-L486 HydrophobicContact CD2-CD2 4.04Å; L175-L668 HydrophobicContact CD1-CD2 4.41Å; L175-L668 HydrophobicContact CD2-CD1 4.28Å; L175-L668 HydrophobicContact CD2-CD2 4.24Å; L175-L668 HydrophobicContact CG-CD2 4.35Å; L175-P673 HydrophobicContact CD1-CB 3.68Å; L175-N674 PolarHBondContact N-O 3.49Å; L175-F675 HydrophobicContact CB-CD1 4.03Å; L175-F675 HydrophobicContact CB-CE1 4.33Å; L175-F675 HydrophobicContact CD1-CE1 4.5Å; L175-F675 HydrophobicContact CD2-CD1 4.48Å; L175-F675 HydrophobicContact CD2-CE1 3.94Å; L175-V676 PolarHBondContact O-N 3.36Å |
| 176 | C | 91.2 | Very high | 88 | Confident | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 111.3 | 170.8 | -68.9 | 0 | 0 | 0 | 0 | 109.3 | K184 T188 L458 | C176-K184 HydrophobicContact CB-CB 4.01Å; C176-K184 HydrophobicContact CB-CG 4.34Å; C176-K184 WeakPolarHBondContact O-CD 3.18Å; C176-T188 PolarHBondContact SG-OG1 3.07Å; C176-L458 PolarHBondContact N-O 2.93Å |
| 177 | T | 88.5 | Confident | 88.1 | Confident | 8 Ų | 8 | 34.9 Ų | 34.9 | 5% | 0.049 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 158.4 | -174.7 | 50.1 | 0 | 0 | 0 | 0 | 111.2 | L175 V676 R677 C678 | L175-T177 HydrophobicContact CB-CG2 4.44Å; L175-T177 PolarHBondContact O-N 2.68Å; T177-V676 PolarHBondContact N-O 3.12Å; T177-V676 PolarHBondContact OG1-O 2.86Å; T177-R677 WeakPolarHBondContact OG1-CD 3.42Å; T177-C678 WeakPolarHBondContact O-CA 3.48Å; T177-C678 WeakPolarHBondContact O-CB 3.33Å; T177-C678 PolarHBondContact O-N 3.32Å |
| 178 | G | 84.2 | Confident | 88.3 | Confident | 1 Ų | 1 | 29.8 Ų | 29.8 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | S | Bend | trans | 131.7 | 175.2 | -179.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | K184 G462 C678 | G178-K184 PolarHBondContact O-NZ 2.71Å; G178-G462 WeakPolarHBondContact O-CA 3.49Å; G178-C678 WeakPolarHBondContact CA-O 3.24Å |
| 179 | E | 83.2 | Confident | 88.6 | Confident | 32 Ų | 32 | 28.6 Ų | 28.6 | 15% | 0.15 | 13% | 0.134 | C | C | . | . | S | Bend | trans | -60.7 | 162.2 | -176.2 | -81.9 | -172 | -122.3 | 0 | 0 | 114.9 | G181 A182 K184 K235 I680 H683 Q698 | E179-G181 PolarHBondContact O-N 3.14Å; E179-A182 VanDerWaalsContact O-CB 3.25Å; E179-A182 WeakPolarHBondContact O-CB 3.25Å; E179-A182 PolarHBondContact O-N 2.74Å; E179-A182 VanDerWaalsContact O-N 3.14Å; E179-K184 PolarHBondContact O-NZ 3.2Å; E179-K235 IonicContact OE2-NZ 2.66Å; E179-I680 HydrophobicContact CB-CG2 4.04Å; E179-H683 IonicContact OE2-CE1 3.06Å; E179-Q698 WeakPolarHBondContact OE1-CG 3.34Å |
| 180 | S | 81.5 | Confident | 88.9 | Confident | 1 Ų | 1 | 20.7 Ų | 20.7 | 1% | 0.007 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | 127 | 168.7 | -164.1 | 0 | 0 | 0 | 0 | 110.7 | S239 F463 E464 | S180-S239 PolarHBondContact OG-OG 2.79Å; S180-S239 VanDerWaalsContact OG-OG 3.13Å; S180-F463 PolarHBondContact N-O 3.32Å; S180-E464 VanDerWaalsContact CB-CG 3.44Å; S180-E464 VanDerWaalsContact CB-OE1 3.24Å; S180-E464 WeakPolarHBondContact CB-OE1 3.25Å; S180-E464 PolarHBondContact OG-OE1 2.79Å |
| 181 | G | 80.8 | Confident | 89.2 | Confident | 4 Ų | 4 | 15 Ų | 15 | 4% | 0.041 | 8% | 0.078 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 88.5 | -4.8 | -173 | 0 | 0 | 0 | 0 | 0 | 116.2 | N126 Y128 E179 G183 | N126-G181 PolarHBondContact ND2-O 2.72Å; Y128-G181 PolarHBondContact OH-O 3.4Å; E179-G181 PolarHBondContact O-N 3.14Å; G181-G183 PolarHBondContact O-N 2.75Å; G181-G183 VanDerWaalsContact O-N 3.17Å |
| 182 | A | 85.2 | Confident | 89.1 | Confident | 1 Ų | 1 | 12.7 Ų | 12.7 | 1% | 0.008 | 7% | 0.066 | C | C | . | . | S | Bend | trans | -73.4 | 1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 115.5 | E179 C678 I680 | E179-A182 VanDerWaalsContact O-CB 3.25Å; E179-A182 WeakPolarHBondContact O-CB 3.25Å; E179-A182 PolarHBondContact O-N 2.74Å; E179-A182 VanDerWaalsContact O-N 3.14Å; A182-C678 HydrophobicContact CB-CB 3.81Å; A182-C678 WeakPolarHBondContact O-CB 3.33Å; A182-I680 HydrophobicContact CB-CB 4.37Å |
| 183 | G | 86.3 | Confident | 88.9 | Confident | 17 Ų | 17 | 15.2 Ų | 15.2 | 18% | 0.175 | 8% | 0.078 | C | C | . | . | S | Bend | trans | 88.2 | 15.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 116.7 | G181 T185 E186 N187 | G181-G183 PolarHBondContact O-N 2.75Å; G181-G183 VanDerWaalsContact O-N 3.17Å; G183-T185 PolarHBondContact O-N 2.87Å; G183-E186 PolarHBondContact O-N 3.41Å; G183-N187 PolarHBondContact O-N 2.72Å; G183-N187 VanDerWaalsContact O-N 3.14Å; G183-N187 PolarHBondContact O-ND2 2.69Å |
| 184 | K | 88.6 | Confident | 88.8 | Confident | 12 Ų | 12 | 15.2 Ų | 15.2 | 5% | 0.052 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -48.8 | -54.1 | 178.5 | -64.9 | -174.3 | -66 | -71.9 | 0 | 113.3 | C176 G178 E179 E186 N187 T188 D459 I460 C678 | C176-K184 HydrophobicContact CB-CB 4.01Å; C176-K184 HydrophobicContact CB-CG 4.34Å; C176-K184 WeakPolarHBondContact O-CD 3.18Å; G178-K184 PolarHBondContact O-NZ 2.71Å; E179-K184 PolarHBondContact O-NZ 3.2Å; K184-E186 VanDerWaalsContact C-N 3.31Å; K184-E186 PolarHBondContact O-N 2.83Å; K184-N187 WeakPolarHBondContact O-CB 3.02Å; K184-N187 PolarHBondContact O-N 3.42Å; K184-N187 VanDerWaalsContact O-N 3.13Å; K184-T188 PolarHBondContact O-N 2.73Å; K184-T188 PolarHBondContact O-OG1 3.4Å; K184-D459 VanDerWaalsContact CB-OD1 3.28Å; K184-D459 WeakPolarHBondContact CB-OD1 3.12Å; K184-I460 WeakPolarHBondContact CE-O 3.42Å; K184-C678 HydrophobicContact CG-CB 4.06Å |
| 185 | T | 85.8 | Confident | 88.6 | Confident | 19 Ų | 19 | 15.2 Ų | 15.2 | 12% | 0.117 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -59.9 | -36.8 | -179 | -51.5 | 0 | 0 | 0 | 0 | 113.2 | G183 T188 K189 E226 S240 D459 | G183-T185 PolarHBondContact O-N 2.87Å; T185-T188 PolarHBondContact O-N 3.33Å; T185-K189 WeakPolarHBondContact O-CG 3.02Å; T185-K189 PolarHBondContact O-N 3.18Å; T185-E226 WeakPolarHBondContact CG2-OE1 2.95Å; T185-S240 PolarHBondContact OG1-OG 2.7Å; T185-D459 VanDerWaalsContact CA-OD2 3.29Å; T185-D459 WeakPolarHBondContact CA-OD2 2.94Å; T185-D459 VanDerWaalsContact CB-OD2 3.22Å; T185-D459 WeakPolarHBondContact CB-OD2 2.9Å; T185-D459 WeakPolarHBondContact CG2-OD2 3.31Å; T185-D459 PolarHBondContact N-OD1 3.49Å; T185-D459 VanDerWaalsContact OG1-CG 3.32Å; T185-D459 PolarHBondContact OG1-OD1 3.12Å; T185-D459 PolarHBondContact OG1-OD2 2.96Å |
| 186 | E | 87.2 | Confident | 88.3 | Confident | 74 Ų | 74 | 15.2 Ų | 15.2 | 35% | 0.346 | 8% | 0.078 | S | C | . | . | H | α-helix | trans | -68 | -43.5 | 175.3 | -69.5 | -56.3 | 121 | 0 | 0 | 111.7 | G183 K184 T188 K189 K190 | G183-E186 PolarHBondContact O-N 3.41Å; K184-E186 VanDerWaalsContact C-N 3.31Å; K184-E186 PolarHBondContact O-N 2.83Å; E186-T188 VanDerWaalsContact C-N 3.3Å; E186-T188 PolarHBondContact O-N 3.38Å; E186-K189 WeakPolarHBondContact O-CB 3.14Å; E186-K189 PolarHBondContact O-N 3.33Å; E186-K189 WeakPolarHBondContact OE1-CD 3.18Å; E186-K189 WeakPolarHBondContact OE1-CE 3.43Å; E186-K189 IonicContact OE1-NZ 3.05Å; E186-K189 PolarHBondContact OE1-NZ 2.87Å; E186-K190 WeakPolarHBondContact O-CG 3.39Å; E186-K190 PolarHBondContact O-N 3.39Å |
| 187 | N | 91.9 | Very high | 88 | Confident | 8 Ų | 8 | 16.5 Ų | 16.5 | 4% | 0.043 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -58.7 | -43 | 173.1 | -73.4 | -59.9 | 0 | 0 | 0 | 111.5 | Y115 I154 G183 K184 K189 K190 V191 C678 | Y115-N187 WeakPolarHBondContact CE1-OD1 3.39Å; Y115-N187 PolarHBondContact OH-OD1 3.05Å; I154-N187 HydrophobicContact CD1-CB 4.38Å; I154-N187 HydrophobicContact CG1-CB 4.5Å; G183-N187 PolarHBondContact O-N 2.72Å; G183-N187 VanDerWaalsContact O-N 3.14Å; G183-N187 PolarHBondContact O-ND2 2.69Å; K184-N187 WeakPolarHBondContact O-CB 3.02Å; K184-N187 PolarHBondContact O-N 3.42Å; K184-N187 VanDerWaalsContact O-N 3.13Å; N187-K189 PolarHBondContact O-N 2.97Å; N187-K190 PolarHBondContact O-N 2.74Å; N187-V191 PolarHBondContact O-N 3.05Å; N187-C678 PolarHBondContact ND2-SG 2.69Å |
| 188 | T | 91 | Very high | 88 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.1 | -43.7 | 174.9 | -67.9 | 0 | 0 | 0 | 0 | 112.6 | C176 K184 T185 E186 K190 V191 I192 I246 I457 D459 | C176-T188 PolarHBondContact SG-OG1 3.07Å; K184-T188 PolarHBondContact O-N 2.73Å; K184-T188 PolarHBondContact O-OG1 3.4Å; T185-T188 PolarHBondContact O-N 3.33Å; E186-T188 VanDerWaalsContact C-N 3.3Å; E186-T188 PolarHBondContact O-N 3.38Å; T188-K190 VanDerWaalsContact C-N 3.26Å; T188-K190 PolarHBondContact O-N 2.73Å; T188-V191 PolarHBondContact O-N 2.84Å; T188-I192 HydrophobicContact CG2-CD1 4.18Å; T188-I192 WeakPolarHBondContact O-CG1 3.12Å; T188-I192 PolarHBondContact O-N 3.47Å; T188-I192 VanDerWaalsContact O-N 3.12Å; T188-I246 HydrophobicContact CG2-CD1 4.18Å; T188-I457 HydrophobicContact CG2-CG2 3.84Å; T188-D459 HydrophobicContact CG2-CB 4.08Å |
| 189 | K | 90 | Very high | 88 | Confident | 48 Ų | 48 | 16.8 Ų | 16.8 | 21% | 0.209 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -57.6 | -38.4 | 171.6 | -71.9 | 171.3 | -173 | 168.6 | 0 | 112 | T185 E186 N187 I192 Q193 E226 | T185-K189 WeakPolarHBondContact O-CG 3.02Å; T185-K189 PolarHBondContact O-N 3.18Å; E186-K189 WeakPolarHBondContact O-CB 3.14Å; E186-K189 PolarHBondContact O-N 3.33Å; E186-K189 WeakPolarHBondContact OE1-CD 3.18Å; E186-K189 WeakPolarHBondContact OE1-CE 3.43Å; E186-K189 IonicContact OE1-NZ 3.05Å; E186-K189 PolarHBondContact OE1-NZ 2.87Å; N187-K189 PolarHBondContact O-N 2.97Å; K189-I192 PolarHBondContact O-N 3.38Å; K189-Q193 WeakPolarHBondContact O-CB 3.44Å; K189-Q193 PolarHBondContact O-N 2.88Å; K189-E226 VanDerWaalsContact CE-CD 3.42Å; K189-E226 WeakPolarHBondContact CE-OE1 3.08Å; K189-E226 WeakPolarHBondContact CE-OE2 3.49Å; K189-E226 IonicContact NZ-OE1 2.62Å; K189-E226 PolarHBondContact NZ-OE1 2.76Å; K189-E226 IonicContact NZ-OE2 3.44Å; K189-E226 PolarHBondContact NZ-OE2 2.69Å |
| 190 | K | 92.7 | Very high | 87.8 | Confident | 39 Ų | 39 | 15.4 Ų | 15.4 | 17% | 0.17 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -73.9 | -33.9 | 180 | -62 | -47.3 | -178.6 | -166.2 | 0 | 113.8 | Y134 I154 Y155 E186 N187 T188 Q193 Y194 | Y134-K190 HydrophobicContact CD1-CB 4.42Å; Y134-K190 HydrophobicContact CD1-CD 3.69Å; Y134-K190 HydrophobicContact CD1-CG 3.75Å; Y134-K190 HydrophobicContact CD2-CD 4.43Å; Y134-K190 HydrophobicContact CE1-CB 4.29Å; Y134-K190 HydrophobicContact CE1-CD 4.08Å; Y134-K190 HydrophobicContact CE1-CG 3.62Å; Y134-K190 HydrophobicContact CG-CD 3.88Å; Y134-K190 VanDerWaalsContact CG-CE 3.48Å; Y134-K190 HydrophobicContact CG-CG 4.35Å; I154-K190 HydrophobicContact CG2-CB 3.76Å; Y155-K190 HydrophobicContact CE1-CB 4.18Å; Y155-K190 WeakPolarHBondContact CE1-O 3.1Å; E186-K190 WeakPolarHBondContact O-CG 3.39Å; E186-K190 PolarHBondContact O-N 3.39Å; N187-K190 PolarHBondContact O-N 2.74Å; T188-K190 VanDerWaalsContact C-N 3.26Å; T188-K190 PolarHBondContact O-N 2.73Å; K190-Q193 PolarHBondContact O-N 2.76Å; K190-Y194 WeakPolarHBondContact O-CB 3.37Å; K190-Y194 PolarHBondContact O-N 2.9Å |
| 191 | V | 93.7 | Very high | 87.4 | Confident | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -59.1 | -48 | 167.8 | 175.5 | 0 | 0 | 0 | 0 | 110.3 | I154 A158 I174 N187 T188 Y194 L195 I457 | I154-V191 HydrophobicContact CD1-CG2 3.69Å; I154-V191 HydrophobicContact CG1-CG2 3.63Å; A158-V191 HydrophobicContact CB-CG1 4.13Å; I174-V191 HydrophobicContact CD1-CG1 3.8Å; I174-V191 HydrophobicContact CD1-CG2 4.48Å; I174-V191 HydrophobicContact CG2-CG2 4.49Å; N187-V191 PolarHBondContact O-N 3.05Å; T188-V191 PolarHBondContact O-N 2.84Å; V191-Y194 WeakPolarHBondContact O-CB 3.45Å; V191-Y194 PolarHBondContact O-N 3.03Å; V191-L195 HydrophobicContact CG1-CD1 3.79Å; V191-L195 WeakPolarHBondContact O-CG 3.46Å; V191-L195 PolarHBondContact O-N 3.19Å; V191-L195 VanDerWaalsContact O-N 3.11Å; V191-I457 HydrophobicContact CB-CD1 4.3Å; V191-I457 HydrophobicContact CG1-CD1 3.53Å; V191-I457 HydrophobicContact CG1-CG1 4.11Å |
| 192 | I | 91.6 | Very high | 86.9 | Confident | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -65.5 | -43.5 | 179.6 | -63.1 | 167.6 | 0 | 0 | 0 | 111.3 | T188 K189 Y194 L195 A196 L218 L219 I246 I457 | T188-I192 HydrophobicContact CG2-CD1 4.18Å; T188-I192 WeakPolarHBondContact O-CG1 3.12Å; T188-I192 PolarHBondContact O-N 3.47Å; T188-I192 VanDerWaalsContact O-N 3.12Å; K189-I192 PolarHBondContact O-N 3.38Å; I192-Y194 PolarHBondContact O-N 3.06Å; I192-L195 PolarHBondContact O-N 3.31Å; I192-A196 WeakPolarHBondContact O-CB 3.14Å; I192-A196 PolarHBondContact O-N 2.98Å; I192-L218 HydrophobicContact CG2-CD2 4.1Å; I192-L218 HydrophobicContact CG2-CG 3.83Å; I192-L219 HydrophobicContact CG2-CD2 3.95Å; I192-I246 HydrophobicContact CD1-CD1 3.68Å; I192-I246 HydrophobicContact CD1-CG2 4.4Å; I192-I457 HydrophobicContact CG1-CD1 3.78Å |
| 193 | Q | 90 | Very high | 85.6 | Confident | 54 Ų | 54 | 31.7 Ų | 31.7 | 25% | 0.252 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -56.6 | -36.7 | 175.2 | -172.8 | -176 | -15.7 | 0 | 0 | 112.3 | Y134 K189 K190 L219 | Y134-Q193 PolarHBondContact O-NE2 3.07Å; K189-Q193 WeakPolarHBondContact O-CB 3.44Å; K189-Q193 PolarHBondContact O-N 2.88Å; K190-Q193 PolarHBondContact O-N 2.76Å; Q193-L219 HydrophobicContact CB-CD2 4.35Å |
| 194 | Y | 92.6 | Very high | 84.1 | Confident | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -69.7 | -53.2 | 177.2 | -170.9 | -100.4 | 0 | 0 | 0 | 112.2 | V139 K143 Y155 A158 D159 K190 V191 I192 A196 V197 V198 | V139-Y194 HydrophobicContact CB-CD2 4.36Å; V139-Y194 HydrophobicContact CB-CE2 4.36Å; V139-Y194 HydrophobicContact CG1-CD2 3.87Å; V139-Y194 HydrophobicContact CG1-CE2 3.81Å; V139-Y194 HydrophobicContact CG2-CD2 4.2Å; K143-Y194 VanDerWaalsContact CA-OH 3.23Å; K143-Y194 WeakPolarHBondContact CA-OH 3.06Å; K143-Y194 PolarHBondContact N-OH 2.83Å; Y155-Y194 AromaticContact CD1-CD2 3.61Å; Y155-Y194 HydrophobicContact CD1-CD2 3.61Å; Y155-Y194 AromaticContact CD1-CG 3.94Å; Y155-Y194 HydrophobicContact CD1-CG 3.94Å; Y155-Y194 AromaticContact CD2-CD2 3.66Å; Y155-Y194 HydrophobicContact CD2-CD2 3.66Å; Y155-Y194 HydrophobicContact CD2-CE2 4.01Å; Y155-Y194 HydrophobicContact CE1-CD2 4.2Å; Y155-Y194 HydrophobicContact CE2-CD2 4.25Å; Y155-Y194 AromaticContact CG-CD2 3.31Å; Y155-Y194 HydrophobicContact CG-CD2 3.31Å; Y155-Y194 AromaticContact CG-CE2 3.83Å; Y155-Y194 HydrophobicContact CG-CE2 3.83Å; Y155-Y194 HydrophobicContact CG-CG 4.04Å; A158-Y194 HydrophobicContact CB-CD1 3.75Å; A158-Y194 HydrophobicContact CB-CE1 4.43Å; A158-Y194 HydrophobicContact CB-CG 4.32Å; D159-Y194 HydrophobicContact CB-CE1 3.55Å; D159-Y194 WeakPolarHBondContact CB-OH 3.04Å; D159-Y194 VanDerWaalsContact CG-OH 3.26Å; D159-Y194 PolarHBondContact OD1-OH 3.32Å; K190-Y194 WeakPolarHBondContact O-CB 3.37Å; K190-Y194 PolarHBondContact O-N 2.9Å; V191-Y194 WeakPolarHBondContact O-CB 3.45Å; V191-Y194 PolarHBondContact O-N 3.03Å; I192-Y194 PolarHBondContact O-N 3.06Å; Y194-A196 VanDerWaalsContact C-N 3.33Å; Y194-A196 PolarHBondContact O-N 2.71Å; Y194-V197 PolarHBondContact O-N 3.32Å; Y194-V197 VanDerWaalsContact O-N 3.1Å; Y194-V198 HydrophobicContact CD1-CB 4.48Å; Y194-V198 HydrophobicContact CD1-CG2 4.14Å; Y194-V198 HydrophobicContact CD2-CG2 4.34Å; Y194-V198 HydrophobicContact CE1-CB 4.16Å; Y194-V198 HydrophobicContact CE1-CG1 4.36Å; Y194-V198 HydrophobicContact CE1-CG2 3.7Å; Y194-V198 HydrophobicContact CE2-CG2 3.93Å; Y194-V198 HydrophobicContact CG-CG2 4.44Å; Y194-V198 PolarHBondContact O-N 3.26Å |
| 195 | L | 91.5 | Very high | 82.3 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -63.9 | -37.7 | -176.9 | -63.8 | 164.8 | 0 | 0 | 0 | 112.1 | Y162 V191 I192 V197 V198 A199 I248 L455 I457 | Y162-L195 HydrophobicContact CD2-CD2 4.38Å; Y162-L195 HydrophobicContact CG-CD2 4.36Å; V191-L195 HydrophobicContact CG1-CD1 3.79Å; V191-L195 WeakPolarHBondContact O-CG 3.46Å; V191-L195 PolarHBondContact O-N 3.19Å; V191-L195 VanDerWaalsContact O-N 3.11Å; I192-L195 PolarHBondContact O-N 3.31Å; L195-V197 PolarHBondContact O-N 2.78Å; L195-V197 VanDerWaalsContact O-N 3.09Å; L195-V198 PolarHBondContact O-N 3.45Å; L195-A199 WeakPolarHBondContact O-CB 2.98Å; L195-A199 PolarHBondContact O-N 3.13Å; L195-I248 HydrophobicContact CD1-CD1 3.86Å; L195-L455 HydrophobicContact CD1-CD2 3.31Å; L195-L455 HydrophobicContact CD2-CD2 4.43Å; L195-L455 HydrophobicContact CG-CD2 4.49Å; L195-I457 HydrophobicContact CD1-CD1 4.33Å |
| 196 | A | 87 | Confident | 80.6 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -59.8 | -16.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | I192 Y194 S200 E215 L219 | I192-A196 WeakPolarHBondContact O-CB 3.14Å; I192-A196 PolarHBondContact O-N 2.98Å; Y194-A196 VanDerWaalsContact C-N 3.33Å; Y194-A196 PolarHBondContact O-N 2.71Å; A196-S200 WeakPolarHBondContact O-CB 3.43Å; A196-E215 HydrophobicContact CB-CB 4.08Å; A196-L219 HydrophobicContact CB-CD1 4.09Å; A196-L219 HydrophobicContact CB-CG 4.3Å |
| 197 | V | 85.2 | Confident | 78.6 | Confident | 27 Ų | 27 | 52.6 Ų | 52.6 | 16% | 0.164 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -108.2 | -40.2 | 175.8 | 179.1 | 0 | 0 | 0 | 0 | 111.6 | V139 Y194 L195 T211 | V139-V197 HydrophobicContact CG1-CB 4.2Å; V139-V197 HydrophobicContact CG1-CG1 3.99Å; Y194-V197 PolarHBondContact O-N 3.32Å; Y194-V197 VanDerWaalsContact O-N 3.1Å; L195-V197 PolarHBondContact O-N 2.78Å; L195-V197 VanDerWaalsContact O-N 3.09Å; V197-T211 HydrophobicContact CG2-CG2 4.26Å |
| 198 | V | 87.2 | Confident | 76.7 | Confident | 15 Ų | 15 | 59.7 Ų | 59.7 | 9% | 0.091 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -78.1 | -36.6 | -175.2 | 173 | 0 | 0 | 0 | 0 | 113.2 | V139 K143 Y162 Y194 L195 | V139-V198 HydrophobicContact CG1-CG2 3.82Å; K143-V198 HydrophobicContact CD-CG2 4.18Å; K143-V198 HydrophobicContact CG-CG1 4.26Å; K143-V198 HydrophobicContact CG-CG2 4.17Å; Y162-V198 HydrophobicContact CD1-CG1 4.29Å; Y162-V198 HydrophobicContact CE1-CG1 4Å; Y194-V198 HydrophobicContact CD1-CB 4.48Å; Y194-V198 HydrophobicContact CD1-CG2 4.14Å; Y194-V198 HydrophobicContact CD2-CG2 4.34Å; Y194-V198 HydrophobicContact CE1-CB 4.16Å; Y194-V198 HydrophobicContact CE1-CG1 4.36Å; Y194-V198 HydrophobicContact CE1-CG2 3.7Å; Y194-V198 HydrophobicContact CE2-CG2 3.93Å; Y194-V198 HydrophobicContact CG-CG2 4.44Å; Y194-V198 PolarHBondContact O-N 3.26Å; L195-V198 PolarHBondContact O-N 3.45Å |
| 199 | A | 84.7 | Confident | 74.8 | Confident | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -105.3 | 16.1 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | Y162 L195 F250 Y255 I256 | Y162-A199 HydrophobicContact CE2-CB 3.81Å; L195-A199 WeakPolarHBondContact O-CB 2.98Å; L195-A199 PolarHBondContact O-N 3.13Å; A199-F250 HydrophobicContact CB-CD1 4.36Å; A199-F250 HydrophobicContact CB-CE1 3.77Å; A199-Y255 WeakPolarHBondContact O-CA 3.12Å; A199-I256 HydrophobicContact CB-CD1 4.16Å; A199-I256 HydrophobicContact CB-CG1 3.9Å; A199-I256 PolarHBondContact O-N 3.38Å |
| 200 | S | 78.8 | Confident | 73.3 | Confident | 4 Ų | 4 | 65.3 Ų | 65.3 | 3% | 0.028 | 35% | 0.348 | C | S | . | . | trans | -73 | 137.7 | 175.5 | 155.4 | 0 | 0 | 0 | 0 | 111.9 | A196 H202 E215 | A196-S200 WeakPolarHBondContact O-CB 3.43Å; S200-H202 PolarHBondContact O-CE1 3.34Å; S200-H202 PolarHBondContact O-N 2.96Å; S200-H202 PolarHBondContact O-ND1 2.88Å; S200-E215 VanDerWaalsContact CA-OE1 3.31Å; S200-E215 WeakPolarHBondContact CA-OE1 3.12Å; S200-E215 WeakPolarHBondContact CB-OE1 3.45Å; S200-E215 PolarHBondContact OG-OE1 3.33Å | ||
| 201 | S | 74.4 | Confident | 72.1 | Confident | 35 Ų | 35 | 64.9 Ų | 64.9 | 25% | 0.245 | 35% | 0.349 | C | S | . | . | trans | -87.7 | 107.6 | -179.2 | -156.1 | 0 | 0 | 0 | 0 | 111.4 | K203 | S201-K203 PolarHBondContact O-N 2.72Š| ||
| 202 | H | 70.6 | Confident | 71.1 | Confident | 133 Ų | 133 | 65.8 Ų | 65.8 | 62% | 0.616 | 36% | 0.358 | S | S | * | . | trans | -70.6 | 36.3 | -173.4 | -51.9 | -30.5 | 0 | 0 | 0 | 115.7 | S200 G204 | S200-H202 PolarHBondContact O-CE1 3.34Å; S200-H202 PolarHBondContact O-N 2.96Å; S200-H202 PolarHBondContact O-ND1 2.88Å; H202-G204 VanDerWaalsContact C-N 3.33Å; H202-G204 PolarHBondContact O-N 2.61Å | ||
| 203 | K | 56.8 | Low | 70.7 | Confident | 180 Ų | 180 | 71.6 Ų | 71.6 | 78% | 0.783 | 39% | 0.385 | S | S | * | . | trans | -75.3 | 76.5 | -176.7 | -72.2 | 176.1 | -177.4 | 162.6 | 0 | 112.7 | S201 | S201-K203 PolarHBondContact O-N 2.72Š| ||
| 204 | G | 55.3 | Low | 70.4 | Confident | 78 Ų | 78 | 70 Ų | 70 | 80% | 0.804 | 38% | 0.379 | S | S | * | . | S | Bend | trans | 106.6 | -0.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | H202 | H202-G204 VanDerWaalsContact C-N 3.33Å; H202-G204 PolarHBondContact O-N 2.61Å |
| 205 | K | 49.9 | Very low | 70.1 | Confident | 147 Ų | 147 | 70.7 Ų | 70.7 | 64% | 0.639 | 38% | 0.382 | S | S | * | . | trans | -94.6 | 133.9 | 178.9 | -64.9 | -176.7 | -177.7 | 177.3 | 0 | 112 | ||||
| 206 | K | 50.7 | Low | 69.8 | Low | 206 Ų | 206 | 74.8 Ų | 74.8 | 90% | 0.896 | 40% | 0.399 | S | S | * | . | trans | -110.7 | -8 | 169.3 | -100 | -168.4 | 171.9 | -168.6 | 0 | 113.6 | ||||
| 207 | D | 45.4 | Very low | 69.9 | Low | 129 Ų | 129 | 75.3 Ų | 75.3 | 69% | 0.69 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -111.2 | 113.9 | -166.2 | -55.4 | -63.9 | 0 | 0 | 0 | 111.3 | S209 | D207-S209 PolarHBondContact O-N 2.69Š|
| 208 | T | 50.8 | Low | 70.1 | Confident | 158 Ų | 158 | 74.1 Ų | 74.1 | 97% | 0.969 | 39% | 0.394 | S | S | * | . | S | Bend | trans | 49.3 | -12.1 | 154.7 | 34.9 | 0 | 0 | 0 | 0 | 122.3 | ||
| 209 | S | 52.4 | Low | 70.2 | Confident | 61 Ų | 61 | 75.9 Ų | 75.9 | 43% | 0.427 | 40% | 0.403 | S | S | . | . | trans | -117.9 | 102.5 | 174.1 | -177.6 | 0 | 0 | 0 | 0 | 109.5 | D207 T211 | D207-S209 PolarHBondContact O-N 2.69Å; S209-T211 PolarHBondContact OG-O 2.64Å | ||
| 210 | I | 58.4 | Low | 70.4 | Confident | 104 Ų | 104 | 78.5 Ų | 78.5 | 53% | 0.533 | 42% | 0.415 | S | S | . | . | trans | -75.6 | -29.6 | -173.3 | -57.6 | 179.6 | 0 | 0 | 0 | 111.6 | E136 | E136-I210 WeakPolarHBondContact OE1-CD1 3.03Š| ||
| 211 | T | 66.1 | Low | 71.1 | Confident | 31 Ų | 31 | 78.3 Ų | 78.3 | 19% | 0.19 | 41% | 0.414 | C | S | . | . | S | Bend | trans | -83.6 | 147.6 | 171.6 | 50.1 | 0 | 0 | 0 | 0 | 112.1 | V197 S209 | V197-T211 HydrophobicContact CG2-CG2 4.26Å; S209-T211 PolarHBondContact OG-O 2.64Å |
| 212 | G | 74.6 | Confident | 71.7 | Confident | 18 Ų | 18 | 76.8 Ų | 76.8 | 19% | 0.186 | 40% | 0.403 | C | S | . | . | trans | -76.7 | -179.5 | 169.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | E215 K216 | G212-E215 WeakPolarHBondContact CA-OE2 3.44Å; G212-E215 PolarHBondContact N-OE2 3.39Å; G212-K216 WeakPolarHBondContact O-CB 3.4Å; G212-K216 PolarHBondContact O-N 3.39Å | ||
| 213 | E | 82.1 | Confident | 72.7 | Confident | 124 Ų | 124 | 72.4 Ų | 72.4 | 58% | 0.579 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -72.8 | -42.4 | -174.3 | -165.6 | -168.4 | 145.8 | 0 | 0 | 112.2 | E215 K216 Q217 K446 | E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact N-OE2 2.93Å; E213-K216 PolarHBondContact O-N 3.21Å; E213-Q217 WeakPolarHBondContact O-CB 3.13Å; E213-Q217 WeakPolarHBondContact O-CG 3.07Å; E213-Q217 PolarHBondContact O-N 3.41Å; E213-K446 IonicContact OE1-NZ 3.74Å; E213-K446 PolarHBondContact OE1-NZ 3.37Å; E213-K446 IonicContact OE2-NZ 3.55Å |
| 214 | L | 84.6 | Confident | 74.5 | Confident | 21 Ų | 21 | 63.9 Ų | 63.9 | 11% | 0.11 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.1 | -39.1 | 177.2 | 174.5 | 59.4 | 0 | 0 | 0 | 110.8 | Q217 L218 I256 L444 | L214-Q217 PolarHBondContact O-N 3.23Å; L214-L218 WeakPolarHBondContact O-CB 3.35Å; L214-L218 PolarHBondContact O-N 2.9Å; L214-I256 HydrophobicContact CD2-CG2 3.93Å; L214-L444 HydrophobicContact CD1-CB 4.39Å; L214-L444 HydrophobicContact CD1-CD2 4.1Å; L214-L444 VanDerWaalsContact CD1-O 3.23Å; L214-L444 WeakPolarHBondContact CD1-O 3.4Å |
| 215 | E | 84.5 | Confident | 76.3 | Confident | 14 Ų | 14 | 60.1 Ų | 60.1 | 7% | 0.065 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -69.5 | -38.4 | 178.9 | -57 | 93.3 | 142.2 | 0 | 0 | 111.1 | A196 S200 G212 E213 L219 | A196-E215 HydrophobicContact CB-CB 4.08Å; S200-E215 VanDerWaalsContact CA-OE1 3.31Å; S200-E215 WeakPolarHBondContact CA-OE1 3.12Å; S200-E215 WeakPolarHBondContact CB-OE1 3.45Å; S200-E215 PolarHBondContact OG-OE1 3.33Å; G212-E215 WeakPolarHBondContact CA-OE2 3.44Å; G212-E215 PolarHBondContact N-OE2 3.39Å; E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact N-OE2 2.93Å; E215-L219 WeakPolarHBondContact O-CG 3.04Å; E215-L219 PolarHBondContact O-N 3.47Å |
| 216 | K | 85.7 | Confident | 78.2 | Confident | 86 Ų | 86 | 53.7 Ų | 53.7 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.6 | -42 | 169.5 | -164.5 | -171.8 | -176.8 | -164.4 | 0 | 111.2 | G212 E213 L219 Q220 I335 | G212-K216 WeakPolarHBondContact O-CB 3.4Å; G212-K216 PolarHBondContact O-N 3.39Å; E213-K216 PolarHBondContact O-N 3.21Å; K216-L219 PolarHBondContact O-N 2.73Å; K216-Q220 WeakPolarHBondContact O-CG 3.17Å; K216-Q220 PolarHBondContact O-N 3.47Å; K216-Q220 VanDerWaalsContact O-N 3.09Å; K216-I335 HydrophobicContact CD-CG2 3.91Å; K216-I335 HydrophobicContact CG-CG2 4.07Å |
| 217 | Q | 90.1 | Very high | 80.3 | Confident | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.051 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.3 | -44.5 | 178.5 | -78.4 | 172.4 | -29.3 | 0 | 0 | 112.3 | E213 L214 L219 Q220 A221 I335 M336 L444 | E213-Q217 WeakPolarHBondContact O-CB 3.13Å; E213-Q217 WeakPolarHBondContact O-CG 3.07Å; E213-Q217 PolarHBondContact O-N 3.41Å; L214-Q217 PolarHBondContact O-N 3.23Å; Q217-L219 PolarHBondContact O-N 2.75Å; Q217-Q220 CarbonylContact O-C 3.51Å; Q217-Q220 PolarHBondContact O-N 3.37Å; Q217-A221 PolarHBondContact O-N 2.69Å; Q217-I335 HydrophobicContact CG-CG2 4.25Å; Q217-I335 WeakPolarHBondContact CG-O 3.45Å; Q217-I335 PolarHBondContact NE2-O 3.28Å; Q217-M336 VanDerWaalsContact CA-SD 3.59Å; Q217-M336 HydrophobicContact CB-CE 4.41Å; Q217-M336 HydrophobicContact CB-SD 3.52Å; Q217-M336 VanDerWaalsContact CB-SD 3.52Å; Q217-M336 HydrophobicContact CG-SD 3.81Å; Q217-L444 HydrophobicContact CB-CD2 4.03Å |
| 218 | L | 89.2 | Confident | 82.6 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.005 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -58.6 | -34.4 | 176.1 | -177 | 60.6 | 0 | 0 | 0 | 112.8 | I192 L214 I246 I248 A259 L444 | I192-L218 HydrophobicContact CG2-CD2 4.1Å; I192-L218 HydrophobicContact CG2-CG 3.83Å; L214-L218 WeakPolarHBondContact O-CB 3.35Å; L214-L218 PolarHBondContact O-N 2.9Å; L218-I246 HydrophobicContact CD1-CG2 4.42Å; L218-I248 HydrophobicContact CD2-CD1 3.99Å; L218-I248 HydrophobicContact CD2-CG1 4.21Å; L218-A259 HydrophobicContact CD1-CB 3.75Å; L218-L444 HydrophobicContact CB-CD2 4.19Å; L218-L444 HydrophobicContact CD1-CD1 4.36Å; L218-L444 HydrophobicContact CD1-CD2 4.47Å |
| 219 | L | 88 | Confident | 84.6 | Confident | 53 Ų | 53 | 30.3 Ų | 30.3 | 28% | 0.277 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -70 | -45.9 | 172.1 | -71.7 | 165.8 | 0 | 0 | 0 | 112.2 | I192 Q193 A196 E215 K216 Q217 A221 N222 P223 | I192-L219 HydrophobicContact CG2-CD2 3.95Å; Q193-L219 HydrophobicContact CB-CD2 4.35Å; A196-L219 HydrophobicContact CB-CD1 4.09Å; A196-L219 HydrophobicContact CB-CG 4.3Å; E215-L219 WeakPolarHBondContact O-CG 3.04Å; E215-L219 PolarHBondContact O-N 3.47Å; K216-L219 PolarHBondContact O-N 2.73Å; Q217-L219 PolarHBondContact O-N 2.75Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 2.87Å; L219-N222 PolarHBondContact O-N 2.71Å; L219-P223 VanDerWaalsContact O-CD 3.3Å; L219-P223 WeakPolarHBondContact O-CD 3.46Å |
| 220 | Q | 90.7 | Very high | 86.4 | Confident | 54 Ų | 54 | 27.4 Ų | 27.4 | 25% | 0.252 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -74.4 | -15.6 | -178 | -65.5 | -59.4 | -29.1 | 0 | 0 | 114.5 | K216 Q217 N222 P223 A332 I335 M336 | K216-Q220 WeakPolarHBondContact O-CG 3.17Å; K216-Q220 PolarHBondContact O-N 3.47Å; K216-Q220 VanDerWaalsContact O-N 3.09Å; Q217-Q220 CarbonylContact O-C 3.51Å; Q217-Q220 PolarHBondContact O-N 3.37Å; Q220-N222 VanDerWaalsContact C-N 3.26Å; Q220-N222 PolarHBondContact O-N 2.77Å; Q220-P223 WeakPolarHBondContact O-CD 3.12Å; Q220-A332 HydrophobicContact CB-CB 4.17Å; Q220-A332 VanDerWaalsContact OE1-CB 3.26Å; Q220-I335 HydrophobicContact CB-CG2 4.28Å; Q220-I335 HydrophobicContact CG-CB 4.24Å; Q220-I335 HydrophobicContact CG-CD1 3.96Å; Q220-I335 HydrophobicContact CG-CG2 3.9Å; Q220-M336 HydrophobicContact CB-CG 4.47Å |
| 221 | A | 92 | Very high | 88 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -61.6 | -31.8 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q217 L219 L225 I261 M336 V440 L444 | Q217-A221 PolarHBondContact O-N 2.69Å; L219-A221 VanDerWaalsContact C-N 3.31Å; L219-A221 PolarHBondContact O-N 2.87Å; A221-L225 WeakPolarHBondContact O-CG 3.49Å; A221-L225 PolarHBondContact O-N 2.72Å; A221-I261 HydrophobicContact CB-CD1 4.06Å; A221-M336 HydrophobicContact CB-CE 4.42Å; A221-M336 HydrophobicContact CB-SD 4.43Å; A221-V440 HydrophobicContact CB-CG1 3.89Å; A221-L444 HydrophobicContact CB-CD1 4.42Å |
| 222 | N | 88.8 | Confident | 89.1 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -69.5 | -51.5 | -178.5 | -81 | -79.9 | 0 | 0 | 0 | 113.3 | L219 Q220 I224 L225 E226 K244 | L219-N222 PolarHBondContact O-N 2.71Å; Q220-N222 VanDerWaalsContact C-N 3.26Å; Q220-N222 PolarHBondContact O-N 2.77Å; N222-I224 VanDerWaalsContact C-N 3.27Å; N222-I224 PolarHBondContact O-N 3.21Å; N222-L225 PolarHBondContact O-N 2.71Å; N222-L225 VanDerWaalsContact O-N 3.15Å; N222-E226 WeakPolarHBondContact O-CB 3.38Å; N222-E226 WeakPolarHBondContact O-CG 3Å; N222-E226 PolarHBondContact O-N 3.46Å; N222-K244 PolarHBondContact OD1-NZ 2.89Å |
| 223 | P | 90.7 | Very high | 89.6 | Confident | 41 Ų | 41 | 21.6 Ų | 21.6 | 27% | 0.266 | 11% | 0.105 | S | C | . | . | H | α-helix | trans | -50 | -42.7 | 173.9 | -31.3 | 35.3 | 0 | 0 | 0 | 114.4 | L219 Q220 E226 A227 A332 | L219-P223 VanDerWaalsContact O-CD 3.3Å; L219-P223 WeakPolarHBondContact O-CD 3.46Å; Q220-P223 WeakPolarHBondContact O-CD 3.12Å; P223-E226 PolarHBondContact O-N 2.74Å; P223-A227 WeakPolarHBondContact O-CB 2.99Å; P223-A227 PolarHBondContact O-N 2.94Å; P223-A332 HydrophobicContact CB-CB 4.24Å |
| 224 | I | 94 | Very high | 89.8 | Confident | 0 Ų | 0 | 19.3 Ų | 19.3 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -63.6 | -50.2 | 177.9 | -57.4 | 169.8 | 0 | 0 | 0 | 110.8 | N222 E226 A227 F228 A332 M333 M336 I436 | N222-I224 VanDerWaalsContact C-N 3.27Å; N222-I224 PolarHBondContact O-N 3.21Å; I224-E226 VanDerWaalsContact C-N 3.27Å; I224-E226 PolarHBondContact O-N 2.63Å; I224-A227 PolarHBondContact O-N 2.67Å; I224-F228 WeakPolarHBondContact O-CD2 3.48Å; I224-F228 PolarHBondContact O-N 3.29Å; I224-A332 HydrophobicContact CD1-CB 4.22Å; I224-A332 HydrophobicContact CG1-CB 3.76Å; I224-M333 HydrophobicContact CD1-CB 4.49Å; I224-M333 HydrophobicContact CD1-CG 3.92Å; I224-M333 HydrophobicContact CG1-CG 4.02Å; I224-M333 HydrophobicContact CG2-CG 4.3Å; I224-M336 HydrophobicContact CD1-CB 3.98Å; I224-M336 HydrophobicContact CD1-CG 3.47Å; I224-M336 VanDerWaalsContact CD1-CG 3.47Å; I224-I436 HydrophobicContact CG2-CG2 3.8Å |
| 225 | L | 92.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -66.7 | -30.3 | -179.2 | -67 | 175.5 | 0 | 0 | 0 | 112.3 | A221 N222 G229 F242 I261 F433 L437 | A221-L225 WeakPolarHBondContact O-CG 3.49Å; A221-L225 PolarHBondContact O-N 2.72Å; N222-L225 PolarHBondContact O-N 2.71Å; N222-L225 VanDerWaalsContact O-N 3.15Å; L225-G229 VanDerWaalsContact O-CA 3.28Å; L225-G229 WeakPolarHBondContact O-CA 3.44Å; L225-G229 PolarHBondContact O-N 2.67Å; L225-F242 HydrophobicContact CB-CE2 4.43Å; L225-F242 HydrophobicContact CB-CZ 3.93Å; L225-I261 HydrophobicContact CD1-CD1 3.75Å; L225-I261 HydrophobicContact CD1-CG2 4Å; L225-F433 HydrophobicContact CD2-CE2 4.3Å; L225-F433 HydrophobicContact CD2-CZ 4.34Å; L225-L437 HydrophobicContact CD1-CD1 4.07Å; L225-L437 HydrophobicContact CD2-CD1 3.82Å |
| 226 | E | 91.1 | Very high | 89.5 | Confident | 12 Ų | 12 | 20.7 Ų | 20.7 | 6% | 0.056 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -75.6 | -37.2 | 176.3 | -69.2 | 176.2 | -153 | 0 | 0 | 112 | T185 K189 N222 P223 I224 F228 N230 K244 | T185-E226 WeakPolarHBondContact CG2-OE1 2.95Å; K189-E226 VanDerWaalsContact CE-CD 3.42Å; K189-E226 WeakPolarHBondContact CE-OE1 3.08Å; K189-E226 WeakPolarHBondContact CE-OE2 3.49Å; K189-E226 IonicContact NZ-OE1 2.62Å; K189-E226 PolarHBondContact NZ-OE1 2.76Å; K189-E226 IonicContact NZ-OE2 3.44Å; K189-E226 PolarHBondContact NZ-OE2 2.69Å; N222-E226 WeakPolarHBondContact O-CB 3.38Å; N222-E226 WeakPolarHBondContact O-CG 3Å; N222-E226 PolarHBondContact O-N 3.46Å; P223-E226 PolarHBondContact O-N 2.74Å; I224-E226 VanDerWaalsContact C-N 3.27Å; I224-E226 PolarHBondContact O-N 2.63Å; E226-F228 VanDerWaalsContact C-N 3.33Å; E226-F228 PolarHBondContact O-N 3.19Å; E226-N230 HydrophobicContact CB-CB 4.36Å; E226-N230 WeakPolarHBondContact O-CA 3.39Å; E226-N230 VanDerWaalsContact O-CB 3.24Å; E226-N230 WeakPolarHBondContact O-CB 3.32Å; E226-N230 PolarHBondContact O-N 2.91Å; E226-K244 IonicContact OE1-NZ 2.9Å; E226-K244 PolarHBondContact OE1-NZ 2.76Å |
| 227 | A | 94.2 | Very high | 89.5 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -58.9 | -42.6 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | P223 I224 H282 I283 Y286 T329 | P223-A227 WeakPolarHBondContact O-CB 2.99Å; P223-A227 PolarHBondContact O-N 2.94Å; I224-A227 PolarHBondContact O-N 2.67Å; A227-H282 PolarHBondContact O-N 3.21Å; A227-I283 HydrophobicContact CB-CB 4.47Å; A227-I283 VanDerWaalsContact O-CB 3.31Å; A227-I283 WeakPolarHBondContact O-CB 3.13Å; A227-I283 WeakPolarHBondContact O-CG2 2.99Å; A227-I283 PolarHBondContact O-N 3.22Å; A227-Y286 HydrophobicContact CB-CD2 4.09Å; A227-Y286 HydrophobicContact CB-CE2 3.93Å; A227-T329 HydrophobicContact CB-CG2 3.58Å |
| 228 | F | 95 | Very high | 89.3 | Confident | 1 Ų | 1 | 20.3 Ų | 20.3 | 0% | 0.004 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -92.5 | -18.6 | -178.5 | -70.6 | -102.3 | 0 | 0 | 0 | 114.5 | I224 E226 F281 I283 M333 I346 V350 Y429 L432 F433 I436 | I224-F228 WeakPolarHBondContact O-CD2 3.48Å; I224-F228 PolarHBondContact O-N 3.29Å; E226-F228 VanDerWaalsContact C-N 3.33Å; E226-F228 PolarHBondContact O-N 3.19Å; F228-F281 WeakPolarHBondContact O-CD1 3.02Å; F228-I283 HydrophobicContact CD1-CB 4.43Å; F228-I283 HydrophobicContact CD1-CG1 4.3Å; F228-I283 HydrophobicContact CD1-CG2 3.96Å; F228-I283 HydrophobicContact CD2-CB 4.43Å; F228-I283 HydrophobicContact CD2-CG1 4.37Å; F228-I283 HydrophobicContact CE1-CB 4.47Å; F228-I283 HydrophobicContact CE1-CG1 3.85Å; F228-I283 HydrophobicContact CE1-CG2 4.27Å; F228-I283 HydrophobicContact CE2-CB 4.46Å; F228-I283 HydrophobicContact CE2-CD1 3.92Å; F228-I283 HydrophobicContact CE2-CG1 3.93Å; F228-I283 HydrophobicContact CG-CB 4.41Å; F228-I283 HydrophobicContact CG-CG2 4.19Å; F228-I283 HydrophobicContact CZ-CB 4.47Å; F228-I283 HydrophobicContact CZ-CD1 3.89Å; F228-I283 HydrophobicContact CZ-CG1 3.64Å; F228-M333 HydrophobicContact CE2-CE 4.11Å; F228-M333 HydrophobicContact CZ-CE 4.45Å; F228-I346 HydrophobicContact CE1-CG2 3.65Å; F228-I346 HydrophobicContact CZ-CG2 3.41Å; F228-I346 VanDerWaalsContact CZ-CG2 3.41Å; F228-V350 HydrophobicContact CE1-CG2 3.7Å; F228-V350 HydrophobicContact CZ-CG2 4.47Å; F228-Y429 WeakPolarHBondContact CA-OH 3.48Å; F228-Y429 WeakPolarHBondContact O-CE1 3.21Å; F228-Y429 PolarHBondContact O-OH 2.77Å; F228-L432 HydrophobicContact CD1-CD2 4.44Å; F228-L432 HydrophobicContact CE1-CD2 4.09Å; F228-F433 HydrophobicContact CB-CD2 3.81Å; F228-F433 HydrophobicContact CB-CE2 4.12Å; F228-I436 HydrophobicContact CD1-CD1 3.58Å; F228-I436 HydrophobicContact CD2-CD1 4.13Å; F228-I436 HydrophobicContact CE1-CD1 3.52Å; F228-I436 HydrophobicContact CE2-CD1 4.09Å; F228-I436 HydrophobicContact CG-CD1 3.89Å; F228-I436 HydrophobicContact CZ-CD1 3.8Å |
| 229 | G | 91.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 20.5 Ų | 20.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -116.7 | -15.5 | -172.9 | 0 | 0 | 0 | 0 | 0 | 115.5 | L225 R241 F242 | L225-G229 VanDerWaalsContact O-CA 3.28Å; L225-G229 WeakPolarHBondContact O-CA 3.44Å; L225-G229 PolarHBondContact O-N 2.67Å; G229-R241 WeakPolarHBondContact O-CA 3.12Å; G229-R241 WeakPolarHBondContact O-CB 3.26Å; G229-R241 PolarHBondContact O-N 2.69Å; G229-F242 WeakPolarHBondContact O-CD1 3.42Å |
| 230 | N | 91.3 | Very high | 89 | Confident | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 10% | 0.097 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 154.1 | 177 | -65 | 29 | 0 | 0 | 0 | 111.9 | E226 N238 S239 S240 F242 F281 H282 | E226-N230 HydrophobicContact CB-CB 4.36Å; E226-N230 WeakPolarHBondContact O-CA 3.39Å; E226-N230 VanDerWaalsContact O-CB 3.24Å; E226-N230 WeakPolarHBondContact O-CB 3.32Å; E226-N230 PolarHBondContact O-N 2.91Å; N230-N238 WeakPolarHBondContact CB-OD1 3.38Å; N230-N238 PolarHBondContact ND2-OD1 2.78Å; N230-S239 CarbonylContact C-O 3.46Å; N230-S239 WeakPolarHBondContact CA-O 2.96Å; N230-S239 WeakPolarHBondContact CB-O 3.37Å; N230-S240 VanDerWaalsContact CG-CA 3.48Å; N230-S240 PolarHBondContact ND2-N 2.75Å; N230-S240 PolarHBondContact ND2-OG 3.48Å; N230-S240 VanDerWaalsContact OD1-CA 3.27Å; N230-S240 WeakPolarHBondContact OD1-CA 2.89Å; N230-S240 PolarHBondContact OD1-OG 2.72Å; N230-F242 WeakPolarHBondContact OD1-CE1 3.25Å; N230-F281 VanDerWaalsContact O-CA 3.29Å; N230-F281 WeakPolarHBondContact O-CA 3.34Å; N230-H282 PolarHBondContact O-CD2 3.21Å; N230-H282 PolarHBondContact O-N 2.67Å; N230-H282 VanDerWaalsContact O-N 3.09Å |
| 231 | A | 90.7 | Very high | 88.8 | Confident | 0 Ų | 0 | 15.6 Ų | 15.6 | 0% | 0 | 9% | 0.085 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.6 | 160 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | S239 R241 T280 H282 | A231-S239 PolarHBondContact N-O 3.35Å; A231-S239 WeakPolarHBondContact O-CB 3.29Å; A231-S239 PolarHBondContact O-N 2.93Å; A231-R241 HydrophobicContact CB-CG 3.95Å; A231-T280 WeakPolarHBondContact CB-O 3.08Å; A231-H282 WeakPolarHBondContact CA-NE2 3.47Å; A231-H282 PolarHBondContact N-NE2 2.85Å |
| 232 | K | 89.8 | Confident | 88.4 | Confident | 31 Ų | 31 | 15.7 Ų | 15.7 | 14% | 0.135 | 9% | 0.086 | C | C | . | . | trans | -76 | 135 | 170.7 | 171.9 | 176.2 | -175.7 | -171.4 | 0 | 110.9 | D237 E278 R279 V315 P316 I317 | K232-D237 WeakPolarHBondContact CA-O 3.5Å; K232-D237 WeakPolarHBondContact CB-O 3.22Å; K232-D237 WeakPolarHBondContact CE-OD1 3.02Å; K232-E278 WeakPolarHBondContact O-CB 3.08Å; K232-R279 HydrophobicContact CB-CB 3.82Å; K232-R279 HydrophobicContact CB-CG 3.86Å; K232-R279 HydrophobicContact CD-CG 4.16Å; K232-R279 HydrophobicContact CG-CG 4.48Å; K232-R279 PolarHBondContact O-N 2.8Å; K232-V315 HydrophobicContact CD-CG1 3.97Å; K232-V315 VanDerWaalsContact NZ-CG1 3.27Å; K232-P316 PolarHBondContact NZ-O 2.7Å; K232-I317 HydrophobicContact CD-CG1 4.36Å | ||
| 233 | T | 85.8 | Confident | 88.1 | Confident | 0 Ų | 0 | 15.7 Ų | 15.7 | 0% | 0 | 9% | 0.086 | C | C | . | . | trans | -124.6 | 164.3 | 177.9 | 94.8 | 0 | 0 | 0 | 0 | 110.2 | K235 N236 S239 E278 K685 | T233-K235 PolarHBondContact O-N 2.65Å; T233-K235 PolarHBondContact OG1-N 2.74Å; T233-K235 VanDerWaalsContact OG1-N 3.14Å; T233-N236 WeakPolarHBondContact CA-O 3.4Å; T233-N236 PolarHBondContact N-O 3.37Å; T233-N236 PolarHBondContact O-N 2.6Å; T233-N236 PolarHBondContact OG1-N 2.6Å; T233-N236 PolarHBondContact OG1-O 2.86Å; T233-S239 VanDerWaalsContact CG2-CB 3.4Å; T233-E278 WeakPolarHBondContact CA-OE1 3.12Å; T233-E278 WeakPolarHBondContact CB-OE1 3.08Å; T233-K685 PolarHBondContact O-NZ 2.69Å | ||
| 234 | V | 84.8 | Confident | 88 | Confident | 75 Ų | 75 | 13.7 Ų | 13.7 | 46% | 0.455 | 7% | 0.074 | S | C | . | . | S | Bend | trans | -57.4 | -36.5 | 174.5 | -64.1 | 0 | 0 | 0 | 0 | 111.9 | E278 F466 K685 | V234-E278 HydrophobicContact CG1-CG 4Å; V234-E278 PolarHBondContact N-OE1 3.1Å; V234-F466 HydrophobicContact CG2-CD1 3.5Å; V234-F466 HydrophobicContact CG2-CE1 3.51Å; V234-K685 VanDerWaalsContact O-CE 3.25Å; V234-K685 WeakPolarHBondContact O-CE 3.42Å; V234-K685 PolarHBondContact O-NZ 2.8Å |
| 235 | K | 80.3 | Confident | 87.9 | Confident | 32 Ų | 32 | 13.9 Ų | 13.9 | 14% | 0.139 | 7% | 0.074 | C | C | . | . | S | Bend | trans | -87.9 | -25.5 | 178.6 | -68.8 | -164 | 177.2 | -163.3 | 0 | 114.9 | E179 T233 I465 F466 K685 | E179-K235 IonicContact OE2-NZ 2.66Å; T233-K235 PolarHBondContact O-N 2.65Å; T233-K235 PolarHBondContact OG1-N 2.74Å; T233-K235 VanDerWaalsContact OG1-N 3.14Å; K235-I465 WeakPolarHBondContact CE-O 3.2Å; K235-F466 HydrophobicContact CG-CE1 4.34Å; K235-K685 WeakPolarHBondContact O-CE 3.31Å |
| 236 | N | 83.3 | Confident | 87.9 | Confident | 32 Ų | 32 | 13.9 Ų | 13.9 | 17% | 0.171 | 7% | 0.074 | C | C | . | . | trans | -146.4 | 128.9 | -172.9 | -177.3 | 16.7 | 0 | 0 | 0 | 112.7 | T233 N238 S239 | T233-N236 WeakPolarHBondContact CA-O 3.4Å; T233-N236 PolarHBondContact N-O 3.37Å; T233-N236 PolarHBondContact O-N 2.6Å; T233-N236 PolarHBondContact OG1-N 2.6Å; T233-N236 PolarHBondContact OG1-O 2.86Å; N236-N238 PolarHBondContact ND2-O 3.47Å; N236-N238 PolarHBondContact OD1-N 3.38Å; N236-N238 PolarHBondContact OD1-O 3.35Å; N236-S239 WeakPolarHBondContact ND2-CA 2.99Å; N236-S239 WeakPolarHBondContact ND2-CB 3.19Å; N236-S239 PolarHBondContact ND2-OG 2.99Å | ||
| 237 | D | 85.9 | Confident | 87.9 | Confident | 29 Ų | 29 | 17.1 Ų | 17.1 | 16% | 0.155 | 9% | 0.086 | C | C | . | . | S | Bend | trans | -81 | -19.4 | -174.9 | -63.5 | -42.9 | 0 | 0 | 0 | 115.1 | K232 H282 I317 K685 | K232-D237 WeakPolarHBondContact CA-O 3.5Å; K232-D237 WeakPolarHBondContact CB-O 3.22Å; K232-D237 WeakPolarHBondContact CE-OD1 3.02Å; D237-H282 PolarHBondContact O-CE1 3.1Å; D237-I317 HydrophobicContact CB-CG2 4.4Å; D237-K685 IonicContact OD1-NZ 2.81Å; D237-K685 PolarHBondContact OD1-NZ 2.84Å; D237-K685 WeakPolarHBondContact OD2-CD 3.29Å; D237-K685 IonicContact OD2-NZ 2.82Å |
| 238 | N | 86.1 | Confident | 87.8 | Confident | 60 Ų | 60 | 17.1 Ų | 17.1 | 32% | 0.321 | 9% | 0.086 | S | C | . | . | S | Bend | trans | -133.8 | 88.2 | 170.9 | 178.1 | 11.3 | 0 | 0 | 0 | 108.1 | N230 N236 H282 | N230-N238 WeakPolarHBondContact CB-OD1 3.38Å; N230-N238 PolarHBondContact ND2-OD1 2.78Å; N236-N238 PolarHBondContact ND2-O 3.47Å; N236-N238 PolarHBondContact OD1-N 3.38Å; N236-N238 PolarHBondContact OD1-O 3.35Å; N238-H282 PolarHBondContact OD1-NE2 3.28Å |
| 239 | S | 84.2 | Confident | 87.7 | Confident | 5 Ų | 5 | 18 Ų | 18 | 4% | 0.035 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 122.7 | -175 | -145.9 | 0 | 0 | 0 | 0 | 112.3 | S180 N230 A231 T233 N236 R241 | S180-S239 PolarHBondContact OG-OG 2.79Å; S180-S239 VanDerWaalsContact OG-OG 3.13Å; N230-S239 CarbonylContact C-O 3.46Å; N230-S239 WeakPolarHBondContact CA-O 2.96Å; N230-S239 WeakPolarHBondContact CB-O 3.37Å; A231-S239 PolarHBondContact N-O 3.35Å; A231-S239 WeakPolarHBondContact O-CB 3.29Å; A231-S239 PolarHBondContact O-N 2.93Å; T233-S239 VanDerWaalsContact CG2-CB 3.4Å; N236-S239 WeakPolarHBondContact ND2-CA 2.99Å; N236-S239 WeakPolarHBondContact ND2-CB 3.19Å; N236-S239 PolarHBondContact ND2-OG 2.99Å; S239-R241 WeakPolarHBondContact O-CG 2.91Å; S239-R241 PolarHBondContact O-N 3.09Å; S239-R241 VanDerWaalsContact O-N 3.11Å |
| 240 | S | 85.5 | Confident | 87.6 | Confident | 3 Ų | 3 | 18.1 Ų | 18.1 | 2% | 0.021 | 9% | 0.091 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -59.6 | 110.4 | 173.7 | -49.4 | 0 | 0 | 0 | 0 | 110.3 | T185 N230 F242 A461 | T185-S240 PolarHBondContact OG1-OG 2.7Å; N230-S240 VanDerWaalsContact CG-CA 3.48Å; N230-S240 PolarHBondContact ND2-N 2.75Å; N230-S240 PolarHBondContact ND2-OG 3.48Å; N230-S240 VanDerWaalsContact OD1-CA 3.27Å; N230-S240 WeakPolarHBondContact OD1-CA 2.89Å; N230-S240 PolarHBondContact OD1-OG 2.72Å; S240-F242 PolarHBondContact O-N 2.9Å; S240-A461 WeakPolarHBondContact O-CB 3.17Å |
| 241 | R | 86.5 | Confident | 87.4 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.008 | 10% | 0.102 | C | C | . | . | S | Bend | trans | -93 | 30.6 | 176.1 | -59 | -47.8 | -149.7 | 155.3 | -5.4 | 112 | G229 A231 S239 L266 E267 R270 E278 F281 E464 | G229-R241 WeakPolarHBondContact O-CA 3.12Å; G229-R241 WeakPolarHBondContact O-CB 3.26Å; G229-R241 PolarHBondContact O-N 2.69Å; A231-R241 HydrophobicContact CB-CG 3.95Å; S239-R241 WeakPolarHBondContact O-CG 2.91Å; S239-R241 PolarHBondContact O-N 3.09Å; S239-R241 VanDerWaalsContact O-N 3.11Å; R241-L266 WeakPolarHBondContact O-CA 2.94Å; R241-E267 HydrophobicContact CB-CB 3.93Å; R241-E267 WeakPolarHBondContact CD-OE2 3.5Å; R241-E267 WeakPolarHBondContact CG-OE2 3.15Å; R241-E267 IonicContact CZ-OE2 3.43Å; R241-E267 IonicContact NE-OE2 3.33Å; R241-E267 PolarHBondContact NE-OE2 2.69Å; R241-E267 VanDerWaalsContact NE-OE2 3.1Å; R241-E267 IonicContact NH1-OE2 2.86Å; R241-E267 PolarHBondContact NH1-OE2 2.82Å; R241-E267 PolarHBondContact O-N 2.93Å; R241-R270 VanDerWaalsContact NH2-NH2 3.1Å; R241-E278 IonicContact NH2-OE1 3.51Å; R241-F281 HydrophobicContact CB-CE1 3.89Å; R241-F281 HydrophobicContact CB-CZ 4.4Å; R241-E464 IonicContact CZ-OE1 2.62Å; R241-E464 IonicContact CZ-OE2 2.65Å; R241-E464 IonicContact NH1-OE1 2.68Å; R241-E464 PolarHBondContact NH1-OE1 3.41Å; R241-E464 IonicContact NH1-OE2 2.66Å; R241-E464 PolarHBondContact NH1-OE2 2.95Å; R241-E464 IonicContact NH2-OE1 3.56Å; R241-E464 IonicContact NH2-OE2 2.74Å; R241-E464 PolarHBondContact NH2-OE2 3.02Å |
| 242 | F | 85 | Confident | 87.2 | Confident | 2 Ų | 2 | 26.2 Ų | 26.2 | 1% | 0.009 | 14% | 0.139 | C | C | . | . | S | Bend | trans | -155.5 | 156.4 | 173.8 | 68.9 | -68.5 | 0 | 0 | 0 | 108.6 | L225 G229 N230 S240 K244 T263 L265 L266 F433 | L225-F242 HydrophobicContact CB-CE2 4.43Å; L225-F242 HydrophobicContact CB-CZ 3.93Å; G229-F242 WeakPolarHBondContact O-CD1 3.42Å; N230-F242 WeakPolarHBondContact OD1-CE1 3.25Å; S240-F242 PolarHBondContact O-N 2.9Å; F242-K244 HydrophobicContact CD2-CB 4.23Å; F242-K244 HydrophobicContact CE2-CB 3.77Å; F242-K244 HydrophobicContact CE2-CD 3.99Å; F242-K244 HydrophobicContact CE2-CG 4.22Å; F242-K244 HydrophobicContact CZ-CD 4.02Å; F242-T263 WeakPolarHBondContact CD2-OG1 3.27Å; F242-L265 WeakPolarHBondContact CA-O 2.95Å; F242-L266 HydrophobicContact CB-CD1 4.21Å; F242-F433 HydrophobicContact CB-CE1 4.49Å; F242-F433 HydrophobicContact CD1-CZ 4.12Å; F242-F433 HydrophobicContact CD2-CE1 4.06Å; F242-F433 AromaticContact CD2-CZ 3.69Å; F242-F433 HydrophobicContact CD2-CZ 3.69Å; F242-F433 HydrophobicContact CE1-CZ 4.23Å; F242-F433 AromaticContact CE2-CZ 3.77Å; F242-F433 HydrophobicContact CE2-CZ 3.77Å; F242-F433 HydrophobicContact CG-CE1 4.25Å; F242-F433 AromaticContact CG-CZ 3.86Å; F242-F433 HydrophobicContact CG-CZ 3.86Å; F242-F433 HydrophobicContact CZ-CZ 4.07Å |
| 243 | G | 82.2 | Confident | 87.1 | Confident | 3 Ų | 3 | 29.4 Ų | 29.4 | 3% | 0.031 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.2 | 138.3 | 164 | 0 | 0 | 0 | 0 | 0 | 111.4 | T263 Y264 | G243-T263 CarbonylContact O-C 3.55Å; G243-T263 VanDerWaalsContact O-CA 3.31Å; G243-T263 WeakPolarHBondContact O-CA 3.02Å; G243-T263 PolarHBondContact O-OG1 2.75Å; G243-Y264 PolarHBondContact N-O 2.71Å; G243-Y264 PolarHBondContact O-N 3.36Å |
| 244 | K | 87.9 | Confident | 87.2 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 126.1 | 174 | 56.7 | -172.9 | 174.4 | 180 | 0 | 111.3 | N222 E226 F242 I246 I261 E262 D459 | N222-K244 PolarHBondContact OD1-NZ 2.89Å; E226-K244 IonicContact OE1-NZ 2.9Å; E226-K244 PolarHBondContact OE1-NZ 2.76Å; F242-K244 HydrophobicContact CD2-CB 4.23Å; F242-K244 HydrophobicContact CE2-CB 3.77Å; F242-K244 HydrophobicContact CE2-CD 3.99Å; F242-K244 HydrophobicContact CE2-CG 4.22Å; F242-K244 HydrophobicContact CZ-CD 4.02Å; K244-I246 HydrophobicContact CD-CD1 4.33Å; K244-I261 HydrophobicContact CB-CG2 4.23Å; K244-E262 WeakPolarHBondContact CA-O 3.07Å; K244-D459 WeakPolarHBondContact CE-OD2 3.21Å; K244-D459 HydrophobicContact CG-CB 3.97Å; K244-D459 PolarHBondContact N-O 3.43Å; K244-D459 IonicContact NZ-OD2 3.96Å; K244-D459 PolarHBondContact O-N 2.87Å |
| 245 | F | 91.3 | Very high | 87.4 | Confident | 3 Ų | 3 | 29.7 Ų | 29.7 | 1% | 0.013 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.8 | 115 | 169.1 | -178.2 | -116 | 0 | 0 | 0 | 108.4 | I261 E262 Y264 F454 L458 L664 T667 L668 | F245-I261 WeakPolarHBondContact O-CA 3.44Å; F245-E262 HydrophobicContact CB-CB 4.43Å; F245-E262 PolarHBondContact N-O 2.66Å; F245-E262 PolarHBondContact O-N 3.18Å; F245-Y264 HydrophobicContact CB-CE2 3.93Å; F245-F454 HydrophobicContact CZ-CE2 4.28Å; F245-L458 HydrophobicContact CB-CD1 4.26Å; F245-L458 HydrophobicContact CD2-CB 4.19Å; F245-L458 HydrophobicContact CD2-CD1 4.24Å; F245-L664 HydrophobicContact CB-CD1 4.01Å; F245-L664 HydrophobicContact CD1-CD1 4.17Å; F245-L664 HydrophobicContact CD2-CD1 4Å; F245-L664 HydrophobicContact CG-CD1 3.81Å; F245-T667 HydrophobicContact CE1-CG2 3.92Å; F245-T667 HydrophobicContact CZ-CG2 4.05Å; F245-L668 HydrophobicContact CE2-CD2 3.84Å; F245-L668 HydrophobicContact CZ-CD2 4.45Å |
| 246 | I | 93 | Very high | 87.8 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.2 | 103.1 | -173.2 | -58.7 | 172.3 | 0 | 0 | 0 | 107.8 | T188 I192 L218 K244 I248 I261 I457 | T188-I246 HydrophobicContact CG2-CD1 4.18Å; I192-I246 HydrophobicContact CD1-CD1 3.68Å; I192-I246 HydrophobicContact CD1-CG2 4.4Å; L218-I246 HydrophobicContact CD1-CG2 4.42Å; K244-I246 HydrophobicContact CD-CD1 4.33Å; I246-I248 HydrophobicContact CG2-CG1 4.24Å; I246-I261 HydrophobicContact CG1-CD1 4.48Å; I246-I261 HydrophobicContact CG1-CG1 4.21Å; I246-I261 HydrophobicContact CG1-CG2 4.08Å; I246-I261 HydrophobicContact CG2-CG1 4.38Å; I246-I457 HydrophobicContact CB-CB 4.43Å; I246-I457 PolarHBondContact N-O 3.26Å; I246-I457 PolarHBondContact O-N 2.77Å |
| 247 | R | 92 | Very high | 88 | Confident | 81 Ų | 81 | 28.5 Ų | 28.5 | 31% | 0.306 | 15% | 0.15 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 114.4 | 175.2 | 171.4 | 169.9 | 177.2 | 153.1 | 8.6 | 109.5 | N249 A259 N260 F454 | R247-N249 WeakPolarHBondContact CG-OD1 3.36Å; R247-N249 PolarHBondContact NE-OD1 2.73Å; R247-A259 CarbonylContact O-C 3.58Å; R247-A259 WeakPolarHBondContact O-CA 3.44Å; R247-N260 PolarHBondContact N-O 3.21Å; R247-N260 PolarHBondContact O-N 2.75Å; R247-F454 HydrophobicContact CB-CD2 4.4Å; R247-F454 HydrophobicContact CG-CB 3.91Å; R247-F454 HydrophobicContact CG-CD2 3.64Å; R247-F454 HydrophobicContact CG-CE2 4.36Å; R247-F454 HydrophobicContact CG-CG 3.88Å |
| 248 | I | 92.2 | Very high | 88.2 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.1 | 121.8 | 173 | -55 | 174.6 | 0 | 0 | 0 | 107.8 | L195 L218 I246 F250 I256 F454 L455 I457 | L195-I248 HydrophobicContact CD1-CD1 3.86Å; L218-I248 HydrophobicContact CD2-CD1 3.99Å; L218-I248 HydrophobicContact CD2-CG1 4.21Å; I246-I248 HydrophobicContact CG2-CG1 4.24Å; I248-F250 HydrophobicContact CB-CE2 3.95Å; I248-F250 HydrophobicContact CB-CZ 4.2Å; I248-F250 HydrophobicContact CG2-CD2 4.45Å; I248-F250 HydrophobicContact CG2-CE1 4.27Å; I248-F250 HydrophobicContact CG2-CE2 3.7Å; I248-F250 HydrophobicContact CG2-CZ 3.6Å; I248-F250 WeakPolarHBondContact O-CD2 3.27Å; I248-F250 VanDerWaalsContact O-CE2 3.29Å; I248-F250 WeakPolarHBondContact O-CE2 3.43Å; I248-I256 HydrophobicContact CG2-CB 4.47Å; I248-I256 HydrophobicContact CG2-CD1 4.16Å; I248-I256 HydrophobicContact CG2-CG1 3.93Å; I248-I256 HydrophobicContact CG2-CG2 3.82Å; I248-F454 CarbonylContact O-C 3.43Å; I248-F454 WeakPolarHBondContact O-CA 3.26Å; I248-F454 WeakPolarHBondContact O-CB 2.95Å; I248-L455 PolarHBondContact N-O 2.9Å; I248-L455 PolarHBondContact O-N 2.94Å; I248-I457 HydrophobicContact CD1-CD1 3.82Å |
| 249 | N | 91.3 | Very high | 88.4 | Confident | 21 Ų | 21 | 24.3 Ų | 24.3 | 11% | 0.112 | 13% | 0.128 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 138 | -178.2 | -63.9 | -39.4 | 0 | 0 | 0 | 110.8 | R247 V257 G258 | R247-N249 WeakPolarHBondContact CG-OD1 3.36Å; R247-N249 PolarHBondContact NE-OD1 2.73Å; N249-V257 HydrophobicContact CB-CG2 4.05Å; N249-V257 WeakPolarHBondContact O-CG2 3.41Å; N249-V257 PolarHBondContact O-N 3.34Å; N249-G258 PolarHBondContact N-O 2.7Å |
| 250 | F | 90.5 | Very high | 88.7 | Confident | 1 Ų | 1 | 26.5 Ų | 26.5 | 0% | 0.004 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 152.1 | -177.5 | -60.5 | -95.9 | 0 | 0 | 0 | 112.5 | Y162 M165 A199 I248 G254 Y255 I256 G451 A452 S453 L455 | Y162-F250 HydrophobicContact CD2-CE1 4.09Å; Y162-F250 HydrophobicContact CD2-CZ 4.44Å; Y162-F250 HydrophobicContact CE2-CD1 4.16Å; Y162-F250 AromaticContact CE2-CE1 3.92Å; Y162-F250 HydrophobicContact CE2-CE1 3.92Å; M165-F250 HydrophobicContact CE-CB 3.86Å; M165-F250 HydrophobicContact CE-CD1 3.93Å; M165-F250 HydrophobicContact CE-CD2 3.45Å; M165-F250 VanDerWaalsContact CE-CD2 3.45Å; M165-F250 HydrophobicContact CE-CE1 4.3Å; M165-F250 HydrophobicContact CE-CE2 3.88Å; M165-F250 HydrophobicContact CE-CG 3.47Å; M165-F250 VanDerWaalsContact CE-CG 3.47Å; M165-F250 HydrophobicContact CE-CZ 4.28Å; M165-F250 HydrophobicContact SD-CD2 3.46Å; M165-F250 WeakPolarHBondContact SD-CD2 3.29Å; M165-F250 HydrophobicContact SD-CE2 3.77Å; M165-F250 HydrophobicContact SD-CG 4.12Å; A199-F250 HydrophobicContact CB-CD1 4.36Å; A199-F250 HydrophobicContact CB-CE1 3.77Å; I248-F250 HydrophobicContact CB-CE2 3.95Å; I248-F250 HydrophobicContact CB-CZ 4.2Å; I248-F250 HydrophobicContact CG2-CD2 4.45Å; I248-F250 HydrophobicContact CG2-CE1 4.27Å; I248-F250 HydrophobicContact CG2-CE2 3.7Å; I248-F250 HydrophobicContact CG2-CZ 3.6Å; I248-F250 WeakPolarHBondContact O-CD2 3.27Å; I248-F250 VanDerWaalsContact O-CE2 3.29Å; I248-F250 WeakPolarHBondContact O-CE2 3.43Å; F250-G254 WeakPolarHBondContact CD1-O 3.17Å; F250-Y255 CarbonylContact C-O 3.5Å; F250-Y255 VanDerWaalsContact CA-O 3.28Å; F250-Y255 WeakPolarHBondContact CA-O 3.39Å; F250-I256 HydrophobicContact CD1-CG1 4.01Å; F250-I256 HydrophobicContact CE1-CD1 4.46Å; F250-I256 HydrophobicContact CE1-CG1 3.56Å; F250-I256 HydrophobicContact CZ-CG1 4.24Å; F250-G451 CarbonylContact O-C 3.58Å; F250-G451 WeakPolarHBondContact O-CA 3.32Å; F250-A452 PolarHBondContact O-N 2.86Å; F250-S453 PolarHBondContact N-O 3.31Å; F250-L455 HydrophobicContact CE2-CB 3.73Å; F250-L455 HydrophobicContact CZ-CB 4.39Å |
| 251 | D | 87.6 | Confident | 89 | Confident | 44 Ų | 44 | 26.4 Ų | 26.4 | 24% | 0.235 | 14% | 0.139 | C | C | . | . | trans | -83.1 | 171.6 | 167.1 | 72.9 | 21.3 | 0 | 0 | 0 | 112.9 | T253 G254 Y255 V257 | D251-T253 VanDerWaalsContact CG-OG1 3.27Å; D251-T253 PolarHBondContact O-N 2.82Å; D251-T253 VanDerWaalsContact OD1-C 3.31Å; D251-T253 VanDerWaalsContact OD1-CA 3.27Å; D251-T253 WeakPolarHBondContact OD1-CA 3.14Å; D251-T253 WeakPolarHBondContact OD1-CB 3.06Å; D251-T253 PolarHBondContact OD1-N 3.19Å; D251-T253 PolarHBondContact OD1-OG1 3.3Å; D251-T253 PolarHBondContact OD2-OG1 2.73Å; D251-G254 PolarHBondContact O-N 2.69Å; D251-G254 PolarHBondContact OD1-N 2.69Å; D251-Y255 PolarHBondContact N-O 2.7Å; D251-Y255 PolarHBondContact OD1-N 3.5Å; D251-V257 HydrophobicContact CB-CG1 3.8Å | ||
| 252 | V | 86.7 | Confident | 89 | Confident | 127 Ų | 127 | 29.6 Ų | 29.6 | 77% | 0.77 | 15% | 0.154 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -11.9 | 179.2 | -172.2 | 0 | 0 | 0 | 0 | 112.8 | A452 | V252-A452 HydrophobicContact CG2-CB 3.61Š|
| 253 | T | 87.7 | Confident | 89.1 | Confident | 97 Ų | 97 | 31 Ų | 31 | 60% | 0.595 | 16% | 0.163 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -102.1 | 1.9 | 174 | 53.8 | 0 | 0 | 0 | 0 | 113.9 | D251 Y255 | D251-T253 VanDerWaalsContact CG-OG1 3.27Å; D251-T253 PolarHBondContact O-N 2.82Å; D251-T253 VanDerWaalsContact OD1-C 3.31Å; D251-T253 VanDerWaalsContact OD1-CA 3.27Å; D251-T253 WeakPolarHBondContact OD1-CA 3.14Å; D251-T253 WeakPolarHBondContact OD1-CB 3.06Å; D251-T253 PolarHBondContact OD1-N 3.19Å; D251-T253 PolarHBondContact OD1-OG1 3.3Å; D251-T253 PolarHBondContact OD2-OG1 2.73Å; T253-Y255 VanDerWaalsContact OG1-CD2 3.29Å; T253-Y255 WeakPolarHBondContact OG1-CD2 3.11Å |
| 254 | G | 87.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.164 | C | C | . | . | S | Bend | trans | 85.4 | 10.8 | 177.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | Y162 F250 D251 | Y162-G254 PolarHBondContact OH-O 2.71Å; Y162-G254 VanDerWaalsContact OH-O 3.07Å; F250-G254 WeakPolarHBondContact CD1-O 3.17Å; D251-G254 PolarHBondContact O-N 2.69Å; D251-G254 PolarHBondContact OD1-N 2.69Å |
| 255 | Y | 88.9 | Confident | 88.1 | Confident | 81 Ų | 81 | 33.2 Ų | 33.2 | 32% | 0.318 | 17% | 0.173 | S | C | . | . | trans | -84.2 | 142.9 | 174.6 | -62.4 | -59.2 | 0 | 0 | 0 | 111.9 | A199 F250 D251 T253 V257 | A199-Y255 WeakPolarHBondContact O-CA 3.12Å; F250-Y255 CarbonylContact C-O 3.5Å; F250-Y255 VanDerWaalsContact CA-O 3.28Å; F250-Y255 WeakPolarHBondContact CA-O 3.39Å; D251-Y255 PolarHBondContact N-O 2.7Å; D251-Y255 PolarHBondContact OD1-N 3.5Å; T253-Y255 VanDerWaalsContact OG1-CD2 3.29Å; T253-Y255 WeakPolarHBondContact OG1-CD2 3.11Å; Y255-V257 PolarHBondContact O-N 2.77Å | ||
| 256 | I | 88.9 | Confident | 87.8 | Confident | 14 Ų | 14 | 33.9 Ų | 33.9 | 7% | 0.072 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -65.1 | 124.4 | 172.9 | -58.4 | 171.5 | 0 | 0 | 0 | 109.2 | A199 L214 I248 F250 | A199-I256 HydrophobicContact CB-CD1 4.16Å; A199-I256 HydrophobicContact CB-CG1 3.9Å; A199-I256 PolarHBondContact O-N 3.38Å; L214-I256 HydrophobicContact CD2-CG2 3.93Å; I248-I256 HydrophobicContact CG2-CB 4.47Å; I248-I256 HydrophobicContact CG2-CD1 4.16Å; I248-I256 HydrophobicContact CG2-CG1 3.93Å; I248-I256 HydrophobicContact CG2-CG2 3.82Å; F250-I256 HydrophobicContact CD1-CG1 4.01Å; F250-I256 HydrophobicContact CE1-CD1 4.46Å; F250-I256 HydrophobicContact CE1-CG1 3.56Å; F250-I256 HydrophobicContact CZ-CG1 4.24Å |
| 257 | V | 87.6 | Confident | 87.2 | Confident | 25 Ų | 25 | 34.3 Ų | 34.3 | 15% | 0.152 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.7 | -21.1 | 178 | -68.3 | 0 | 0 | 0 | 0 | 114.2 | N249 D251 Y255 T447 | N249-V257 HydrophobicContact CB-CG2 4.05Å; N249-V257 WeakPolarHBondContact O-CG2 3.41Å; N249-V257 PolarHBondContact O-N 3.34Å; D251-V257 HydrophobicContact CB-CG1 3.8Å; Y255-V257 PolarHBondContact O-N 2.77Å; V257-T447 PolarHBondContact O-OG1 2.82Å |
| 258 | G | 88.7 | Confident | 86.8 | Confident | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.01 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -177.1 | 171.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | N249 L444 | N249-G258 PolarHBondContact N-O 2.7Å; G258-L444 WeakPolarHBondContact CA-O 3.19Å |
| 259 | A | 90.6 | Very high | 86.3 | Confident | 1 Ų | 1 | 33.1 Ų | 33.1 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.2 | 151.5 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | L218 R247 L444 | L218-A259 HydrophobicContact CD1-CB 3.75Å; R247-A259 CarbonylContact O-C 3.58Å; R247-A259 WeakPolarHBondContact O-CA 3.44Å; A259-L444 HydrophobicContact CB-CB 4.26Å; A259-L444 HydrophobicContact CB-CD1 4.27Å; A259-L444 PolarHBondContact N-O 2.77Å; A259-L444 WeakPolarHBondContact O-CB 3.2Å |
| 260 | N | 90.8 | Very high | 86.1 | Confident | 50 Ų | 50 | 32.7 Ų | 32.7 | 27% | 0.267 | 18% | 0.175 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -131.7 | 134.5 | 177.4 | -179.2 | 42 | 0 | 0 | 0 | 109.6 | R247 N441 | R247-N260 PolarHBondContact N-O 3.21Å; R247-N260 PolarHBondContact O-N 2.75Å; N260-N441 VanDerWaalsContact OD1-CG 3.31Å; N260-N441 PolarHBondContact OD1-ND2 2.87Å |
| 261 | I | 91.8 | Very high | 86.1 | Confident | 1 Ų | 1 | 32.8 Ų | 32.8 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.3 | 116.7 | 177.8 | -50.8 | -179.4 | 0 | 0 | 0 | 108.9 | A221 L225 K244 F245 I246 L437 V440 N441 L444 | A221-I261 HydrophobicContact CB-CD1 4.06Å; L225-I261 HydrophobicContact CD1-CD1 3.75Å; L225-I261 HydrophobicContact CD1-CG2 4Å; K244-I261 HydrophobicContact CB-CG2 4.23Å; F245-I261 WeakPolarHBondContact O-CA 3.44Å; I246-I261 HydrophobicContact CG1-CD1 4.48Å; I246-I261 HydrophobicContact CG1-CG1 4.21Å; I246-I261 HydrophobicContact CG1-CG2 4.08Å; I246-I261 HydrophobicContact CG2-CG1 4.38Å; I261-L437 HydrophobicContact CB-CD1 3.87Å; I261-L437 HydrophobicContact CG2-CD1 3.81Å; I261-V440 HydrophobicContact CD1-CG1 4.14Å; I261-N441 WeakPolarHBondContact CB-OD1 3.5Å; I261-N441 PolarHBondContact N-OD1 3.25Å; I261-N441 PolarHBondContact O-ND2 3.43Å; I261-L444 HydrophobicContact CD1-CD1 4.12Å; I261-L444 HydrophobicContact CG1-CD1 4.27Å |
| 262 | E | 87.4 | Confident | 86.2 | Confident | 70 Ų | 70 | 30.9 Ų | 30.9 | 33% | 0.327 | 17% | 0.166 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 138.8 | 174.6 | -63.3 | -178.7 | 175 | 0 | 0 | 109.9 | K244 F245 Y264 | K244-E262 WeakPolarHBondContact CA-O 3.07Å; F245-E262 HydrophobicContact CB-CB 4.43Å; F245-E262 PolarHBondContact N-O 2.66Å; F245-E262 PolarHBondContact O-N 3.18Å; E262-Y264 HydrophobicContact CB-CE2 3.88Å; E262-Y264 PolarHBondContact OE2-OH 2.74Å |
| 263 | T | 86.4 | Confident | 86.1 | Confident | 31 Ų | 31 | 32.4 Ų | 32.4 | 19% | 0.19 | 16% | 0.157 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 144.5 | -179.8 | -166.5 | 0 | 0 | 0 | 0 | 112.7 | F242 G243 F433 L437 | F242-T263 WeakPolarHBondContact CD2-OG1 3.27Å; G243-T263 CarbonylContact O-C 3.55Å; G243-T263 VanDerWaalsContact O-CA 3.31Å; G243-T263 WeakPolarHBondContact O-CA 3.02Å; G243-T263 PolarHBondContact O-OG1 2.75Å; T263-F433 HydrophobicContact CG2-CE1 4.32Å; T263-L437 HydrophobicContact CG2-CD2 3.41Å; T263-L437 VanDerWaalsContact CG2-CD2 3.41Å |
| 264 | Y | 77 | Confident | 86.1 | Confident | 16 Ų | 16 | 28.6 Ų | 28.6 | 6% | 0.063 | 13% | 0.133 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.5 | 125.9 | -178.7 | -60.2 | -88.3 | 0 | 0 | 0 | 109.6 | G243 F245 E262 Q660 L664 | G243-Y264 PolarHBondContact N-O 2.71Å; G243-Y264 PolarHBondContact O-N 3.36Å; F245-Y264 HydrophobicContact CB-CE2 3.93Å; E262-Y264 HydrophobicContact CB-CE2 3.88Å; E262-Y264 PolarHBondContact OE2-OH 2.74Å; Y264-Q660 HydrophobicContact CD1-CB 3.9Å; Y264-Q660 HydrophobicContact CE1-CB 4.03Å; Y264-Q660 WeakPolarHBondContact CE1-O 3.09Å; Y264-L664 HydrophobicContact CD1-CD2 4.38Å; Y264-L664 HydrophobicContact CD2-CD2 4.15Å; Y264-L664 HydrophobicContact CE1-CB 3.82Å; Y264-L664 HydrophobicContact CE1-CD2 4.25Å; Y264-L664 HydrophobicContact CE2-CD1 4.13Å; Y264-L664 HydrophobicContact CE2-CD2 3.99Å; Y264-L664 HydrophobicContact CE2-CG 4.45Å; Y264-L664 HydrophobicContact CG-CD2 4.34Å |
| 265 | L | 72.5 | Confident | 85.9 | Confident | 34 Ų | 34 | 31.4 Ų | 31.4 | 18% | 0.178 | 16% | 0.156 | C | C | . | . | trans | 41.3 | 91.9 | 176.4 | -173.9 | 74.6 | 0 | 0 | 0 | 116.1 | F242 C475 I476 Y657 | F242-L265 WeakPolarHBondContact CA-O 2.95Å; L265-C475 HydrophobicContact CD2-CB 3.49Å; L265-C475 VanDerWaalsContact CD2-CB 3.49Å; L265-I476 HydrophobicContact CD2-CG1 4.33Å; L265-Y657 HydrophobicContact CB-CD2 3.71Å; L265-Y657 HydrophobicContact CB-CE2 3.39Å; L265-Y657 HydrophobicContact CD2-CD2 4.5Å; L265-Y657 HydrophobicContact CD2-CE1 4.22Å; L265-Y657 HydrophobicContact CD2-CE2 4.01Å; L265-Y657 HydrophobicContact CG-CD2 4.47Å; L265-Y657 HydrophobicContact CG-CE2 4.24Å | ||
| 266 | L | 83.4 | Confident | 85.8 | Confident | 17 Ų | 17 | 36.7 Ų | 36.7 | 9% | 0.089 | 18% | 0.175 | C | C | . | . | trans | -76.4 | 129.4 | 164.5 | -175.7 | 70.9 | 0 | 0 | 0 | 110.1 | R241 F242 K268 F281 Y429 E430 F433 | R241-L266 WeakPolarHBondContact O-CA 2.94Å; F242-L266 HydrophobicContact CB-CD1 4.21Å; L266-K268 PolarHBondContact O-N 2.82Å; L266-F281 HydrophobicContact CD1-CE1 3.67Å; L266-F281 HydrophobicContact CD1-CZ 3.88Å; L266-F281 HydrophobicContact CG-CE1 4.46Å; L266-F281 HydrophobicContact CG-CZ 4.18Å; L266-Y429 HydrophobicContact CD2-CD1 4.05Å; L266-Y429 HydrophobicContact CD2-CE1 4.3Å; L266-E430 HydrophobicContact CD2-CG 4.47Å; L266-F433 HydrophobicContact CD1-CD1 4.16Å; L266-F433 HydrophobicContact CD1-CE1 4.18Å; L266-F433 HydrophobicContact CD1-CG 4.32Å; L266-F433 HydrophobicContact CD1-CZ 4.36Å; L266-F433 HydrophobicContact CD2-CB 3.8Å; L266-F433 HydrophobicContact CD2-CD1 3.97Å; L266-F433 HydrophobicContact CD2-CG 3.9Å; L266-F433 HydrophobicContact CG-CD1 4.46Å | ||
| 267 | E | 82.2 | Confident | 85.6 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.042 | 20% | 0.196 | C | C | . | . | trans | -74.3 | 60.5 | 178 | -160.9 | -171.2 | -175.3 | 0 | 0 | 112.4 | R241 S269 R270 E472 Q473 | R241-E267 HydrophobicContact CB-CB 3.93Å; R241-E267 WeakPolarHBondContact CD-OE2 3.5Å; R241-E267 WeakPolarHBondContact CG-OE2 3.15Å; R241-E267 IonicContact CZ-OE2 3.43Å; R241-E267 IonicContact NE-OE2 3.33Å; R241-E267 PolarHBondContact NE-OE2 2.69Å; R241-E267 VanDerWaalsContact NE-OE2 3.1Å; R241-E267 IonicContact NH1-OE2 2.86Å; R241-E267 PolarHBondContact NH1-OE2 2.82Å; R241-E267 PolarHBondContact O-N 2.93Å; E267-S269 PolarHBondContact O-N 2.59Å; E267-R270 VanDerWaalsContact CD-NH2 3.32Å; E267-R270 VanDerWaalsContact O-CB 3.24Å; E267-R270 WeakPolarHBondContact O-CB 3.33Å; E267-R270 PolarHBondContact O-N 2.87Å; E267-R270 IonicContact OE1-CZ 2.67Å; E267-R270 IonicContact OE1-NE 2.69Å; E267-R270 IonicContact OE1-NH2 3.48Å; E267-R270 PolarHBondContact OE1-NH2 2.76Å; E267-R270 IonicContact OE2-CZ 3.5Å; E267-R270 IonicContact OE2-NE 3.53Å; E267-R270 PolarHBondContact OE2-NE 2.74Å; E267-R270 IonicContact OE2-NH2 2.68Å; E267-R270 PolarHBondContact OE2-NH2 2.64Å; E267-R270 VanDerWaalsContact OE2-NH2 3.15Å; E267-E472 HydrophobicContact CG-CB 4.02Å; E267-E472 HydrophobicContact CG-CG 4.18Å; E267-Q473 PolarHBondContact OE1-NE2 2.81Å | ||
| 268 | K | 83.5 | Confident | 85.7 | Confident | 32 Ų | 32 | 39.5 Ų | 39.5 | 14% | 0.139 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -58.2 | -23.7 | -170.2 | 60.9 | -172.8 | 171.9 | 176.2 | 0 | 115.5 | L266 R270 A271 K426 E430 D597 | L266-K268 PolarHBondContact O-N 2.82Å; K268-R270 PolarHBondContact O-N 2.75Å; K268-A271 VanDerWaalsContact O-CB 3.3Å; K268-A271 WeakPolarHBondContact O-CB 3.16Å; K268-A271 PolarHBondContact O-N 3.22Å; K268-K426 HydrophobicContact CB-CB 4.22Å; K268-K426 HydrophobicContact CD-CB 4.14Å; K268-K426 HydrophobicContact CG-CB 4.11Å; K268-K426 HydrophobicContact CG-CG 4.44Å; K268-E430 HydrophobicContact CD-CB 4.28Å; K268-E430 HydrophobicContact CD-CG 4.47Å; K268-E430 WeakPolarHBondContact CD-OE2 3.3Å; K268-E430 WeakPolarHBondContact CE-OE2 3.19Å; K268-E430 IonicContact NZ-OE2 3.74Å; K268-E430 PolarHBondContact NZ-OE2 3.33Å; K268-D597 VanDerWaalsContact CE-OD2 3.26Å; K268-D597 WeakPolarHBondContact CE-OD2 3.44Å; K268-D597 IonicContact NZ-OD2 3.96Å; K268-D597 PolarHBondContact NZ-OD2 2.86Å |
| 269 | S | 81.3 | Confident | 85.9 | Confident | 23 Ų | 23 | 39.4 Ų | 39.4 | 16% | 0.161 | 19% | 0.189 | C | C | . | . | G | 310 helix | trans | -61 | -30.7 | 174 | 48.4 | 0 | 0 | 0 | 0 | 113.1 | E267 A271 I272 R273 E472 | E267-S269 PolarHBondContact O-N 2.59Å; S269-A271 PolarHBondContact O-N 2.82Å; S269-I272 WeakPolarHBondContact O-CG1 3.09Å; S269-I272 PolarHBondContact O-N 2.77Å; S269-I272 VanDerWaalsContact O-N 3.16Å; S269-R273 PolarHBondContact O-N 3Å; S269-E472 WeakPolarHBondContact CB-OE1 2.88Å; S269-E472 PolarHBondContact OG-OE1 3.15Å |
| 270 | R | 87.7 | Confident | 86 | Confident | 13 Ų | 13 | 39.4 Ų | 39.4 | 5% | 0.049 | 19% | 0.188 | C | C | . | . | G | 310 helix | trans | -61.4 | -25.2 | 176.3 | -173.3 | 169.4 | -62.8 | -71.4 | -14.6 | 113.7 | R241 E267 K268 I272 R273 Q274 E278 T280 F281 | R241-R270 VanDerWaalsContact NH2-NH2 3.1Å; E267-R270 VanDerWaalsContact CD-NH2 3.32Å; E267-R270 VanDerWaalsContact O-CB 3.24Å; E267-R270 WeakPolarHBondContact O-CB 3.33Å; E267-R270 PolarHBondContact O-N 2.87Å; E267-R270 IonicContact OE1-CZ 2.67Å; E267-R270 IonicContact OE1-NE 2.69Å; E267-R270 IonicContact OE1-NH2 3.48Å; E267-R270 PolarHBondContact OE1-NH2 2.76Å; E267-R270 IonicContact OE2-CZ 3.5Å; E267-R270 IonicContact OE2-NE 3.53Å; E267-R270 PolarHBondContact OE2-NE 2.74Å; E267-R270 IonicContact OE2-NH2 2.68Å; E267-R270 PolarHBondContact OE2-NH2 2.64Å; E267-R270 VanDerWaalsContact OE2-NH2 3.15Å; K268-R270 PolarHBondContact O-N 2.75Å; R270-I272 PolarHBondContact O-N 2.98Å; R270-R273 WeakPolarHBondContact CA-O 3.4Å; R270-Q274 PolarHBondContact O-NE2 3.15Å; R270-E278 IonicContact CZ-OE2 2.76Å; R270-E278 IonicContact NH1-OE2 2.8Å; R270-E278 PolarHBondContact NH1-OE2 2.8Å; R270-E278 IonicContact NH2-OE2 2.68Å; R270-E278 PolarHBondContact NH2-OE2 3.31Å; R270-T280 PolarHBondContact O-OG1 2.73Å; R270-F281 HydrophobicContact CB-CE2 4.04Å; R270-F281 HydrophobicContact CB-CZ 4.41Å; R270-F281 HydrophobicContact CG-CE2 4.49Å |
| 271 | A | 89.2 | Confident | 86.2 | Confident | 2 Ų | 2 | 37 Ų | 37 | 2% | 0.017 | 18% | 0.176 | C | C | . | . | G | 310 helix | trans | -64.8 | -26.6 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113 | K268 S269 F281 F284 Y429 | K268-A271 VanDerWaalsContact O-CB 3.3Å; K268-A271 WeakPolarHBondContact O-CB 3.16Å; K268-A271 PolarHBondContact O-N 3.22Å; S269-A271 PolarHBondContact O-N 2.82Å; A271-F281 HydrophobicContact CB-CD2 4.23Å; A271-F281 HydrophobicContact CB-CE2 4.08Å; A271-F284 HydrophobicContact CB-CE2 4.42Å; A271-Y429 HydrophobicContact CB-CD1 4.39Å; A271-Y429 HydrophobicContact CB-CG 4.3Å |
| 272 | I | 89.7 | Confident | 86.3 | Confident | 5 Ų | 5 | 37 Ų | 37 | 3% | 0.026 | 18% | 0.176 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | -31.2 | -177.1 | 60.4 | 154.4 | 0 | 0 | 0 | 114 | S269 R270 F309 E422 A425 K426 | S269-I272 WeakPolarHBondContact O-CG1 3.09Å; S269-I272 PolarHBondContact O-N 2.77Å; S269-I272 VanDerWaalsContact O-N 3.16Å; R270-I272 PolarHBondContact O-N 2.98Å; I272-F309 HydrophobicContact CB-CD1 3.84Å; I272-F309 HydrophobicContact CB-CD2 4.48Å; I272-F309 HydrophobicContact CB-CE1 3.79Å; I272-F309 HydrophobicContact CB-CE2 4.44Å; I272-F309 HydrophobicContact CB-CG 4.2Å; I272-F309 HydrophobicContact CB-CZ 4.11Å; I272-F309 HydrophobicContact CG2-CD1 4.22Å; I272-F309 HydrophobicContact CG2-CD2 4.1Å; I272-F309 HydrophobicContact CG2-CE1 3.89Å; I272-F309 HydrophobicContact CG2-CE2 3.77Å; I272-F309 HydrophobicContact CG2-CG 4.33Å; I272-F309 HydrophobicContact CG2-CZ 3.65Å; I272-F309 WeakPolarHBondContact O-CA 3.1Å; I272-F309 VanDerWaalsContact O-CD1 3.23Å; I272-F309 WeakPolarHBondContact O-CD1 3.48Å; I272-E422 HydrophobicContact CD1-CB 3.77Å; I272-E422 VanDerWaalsContact CD1-CD 3.47Å; I272-E422 HydrophobicContact CD1-CG 3.64Å; I272-E422 WeakPolarHBondContact CD1-OE2 3.04Å; I272-A425 HydrophobicContact CG2-CB 3.7Å; I272-K426 VanDerWaalsContact CD1-CE 3.41Å; I272-K426 HydrophobicContact CG1-CG 4.48Å; I272-K426 HydrophobicContact CG2-CG 4.38Å |
| 273 | R | 85.3 | Confident | 86.8 | Confident | 158 Ų | 158 | 33.8 Ų | 33.8 | 60% | 0.596 | 16% | 0.161 | S | C | * | . | trans | -148.1 | 130.1 | -173.6 | -67.2 | 177.6 | 179.3 | -102.2 | -0.4 | 109 | S269 R270 E422 | S269-R273 PolarHBondContact O-N 3Å; R270-R273 WeakPolarHBondContact CA-O 3.4Å; R273-E422 IonicContact CZ-OE1 3.49Å; R273-E422 IonicContact NE-OE1 2.83Å; R273-E422 PolarHBondContact NE-OE1 2.66Å; R273-E422 IonicContact NE-OE2 3.61Å; R273-E422 IonicContact NH2-OE1 3.36Å; R273-E422 PolarHBondContact NH2-OE1 3.21Å | ||
| 274 | Q | 88 | Confident | 87.2 | Confident | 18 Ų | 18 | 32.3 Ų | 32.3 | 8% | 0.084 | 15% | 0.152 | C | C | . | . | trans | -108.6 | 148.6 | 176.7 | -59 | 81 | 65.4 | 0 | 0 | 110.4 | R270 E278 R279 F309 S311 | R270-Q274 PolarHBondContact O-NE2 3.15Å; Q274-E278 HydrophobicContact CB-CB 4.46Å; Q274-R279 VanDerWaalsContact CG-C 3.49Å; Q274-F309 PolarHBondContact NE2-O 2.67Å; Q274-F309 PolarHBondContact OE1-O 2.67Å; Q274-S311 PolarHBondContact N-OG 2.74Å; Q274-S311 PolarHBondContact O-OG 2.65Å; Q274-S311 PolarHBondContact OE1-OG 2.69Å | ||
| 275 | A | 84 | Confident | 88.1 | Confident | 58 Ų | 58 | 31.5 Ų | 31.5 | 48% | 0.479 | 15% | 0.149 | S | C | . | . | trans | -66.4 | 163.6 | 164.5 | 0 | 0 | 0 | 0 | 0 | 110.2 | D277 E278 N312 | A275-D277 PolarHBondContact O-N 2.88Å; A275-E278 HydrophobicContact CB-CG 4.13Å; A275-E278 WeakPolarHBondContact O-CB 3.38Å; A275-E278 PolarHBondContact O-N 3.42Å; A275-N312 PolarHBondContact O-ND2 2.93Å | ||
| 276 | R | 85 | Confident | 89.2 | Confident | 193 Ų | 193 | 30.9 Ų | 30.9 | 73% | 0.728 | 14% | 0.144 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -54.6 | 136 | -177 | 178.8 | -177.3 | 169.8 | 166 | 4.6 | 111.8 | E278 | R276-E278 PolarHBondContact O-N 2.75Š|
| 277 | D | 86.5 | Confident | 89.7 | Confident | 94 Ų | 94 | 30.1 Ų | 30.1 | 50% | 0.503 | 14% | 0.14 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 62.4 | 5.6 | 178.2 | -56.9 | -44.9 | 0 | 0 | 0 | 115.7 | A275 N312 | A275-D277 PolarHBondContact O-N 2.88Å; D277-N312 PolarHBondContact N-ND2 3.37Å |
| 278 | E | 89.3 | Confident | 90.3 | Very high | 3 Ų | 3 | 29.8 Ų | 29.8 | 1% | 0.014 | 14% | 0.138 | C | C | . | . | trans | -90 | 164.8 | 173.7 | -55.3 | -154.5 | 130.3 | 0 | 0 | 112.9 | K232 T233 V234 R241 R270 Q274 A275 R276 N312 | K232-E278 WeakPolarHBondContact O-CB 3.08Å; T233-E278 WeakPolarHBondContact CA-OE1 3.12Å; T233-E278 WeakPolarHBondContact CB-OE1 3.08Å; V234-E278 HydrophobicContact CG1-CG 4Å; V234-E278 PolarHBondContact N-OE1 3.1Å; R241-E278 IonicContact NH2-OE1 3.51Å; R270-E278 IonicContact CZ-OE2 2.76Å; R270-E278 IonicContact NH1-OE2 2.8Å; R270-E278 PolarHBondContact NH1-OE2 2.8Å; R270-E278 IonicContact NH2-OE2 2.68Å; R270-E278 PolarHBondContact NH2-OE2 3.31Å; Q274-E278 HydrophobicContact CB-CB 4.46Å; A275-E278 HydrophobicContact CB-CG 4.13Å; A275-E278 WeakPolarHBondContact O-CB 3.38Å; A275-E278 PolarHBondContact O-N 3.42Å; R276-E278 PolarHBondContact O-N 2.75Å; E278-N312 PolarHBondContact N-ND2 3.5Å; E278-N312 PolarHBondContact O-ND2 3.15Å | ||
| 279 | R | 91.4 | Very high | 90.8 | Very high | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -106.3 | 160.7 | 171 | -70.6 | 171.7 | 61.8 | 145.9 | -28.5 | 111.5 | K232 Q274 Y285 V315 I317 D322 | K232-R279 HydrophobicContact CB-CB 3.82Å; K232-R279 HydrophobicContact CB-CG 3.86Å; K232-R279 HydrophobicContact CD-CG 4.16Å; K232-R279 HydrophobicContact CG-CG 4.48Å; K232-R279 PolarHBondContact O-N 2.8Å; Q274-R279 VanDerWaalsContact CG-C 3.49Å; R279-Y285 HydrophobicContact CB-CE2 3.66Å; R279-Y285 HydrophobicContact CG-CE1 4.42Å; R279-Y285 HydrophobicContact CG-CE2 3.95Å; R279-Y285 VanDerWaalsContact CZ-CD2 3.5Å; R279-Y285 VanDerWaalsContact CZ-CG 3.41Å; R279-Y285 VanDerWaalsContact NH2-CD2 3.33Å; R279-Y285 VanDerWaalsContact NH2-CG 3.29Å; R279-V315 VanDerWaalsContact CD-O 3.28Å; R279-V315 WeakPolarHBondContact CD-O 3.29Å; R279-V315 HydrophobicContact CG-CB 3.82Å; R279-V315 HydrophobicContact CG-CG1 4.13Å; R279-V315 PolarHBondContact NH1-O 2.87Å; R279-I317 VanDerWaalsContact CZ-CD1 3.41Å; R279-D322 IonicContact CZ-OD1 3.37Å; R279-D322 IonicContact CZ-OD2 2.65Å; R279-D322 IonicContact NH1-OD1 3.96Å; R279-D322 PolarHBondContact NH1-OD1 3.33Å; R279-D322 IonicContact NH1-OD2 3.41Å; R279-D322 PolarHBondContact NH1-OD2 3.39Å; R279-D322 IonicContact NH2-OD1 2.86Å; R279-D322 PolarHBondContact NH2-OD1 2.89Å; R279-D322 IonicContact NH2-OD2 3.82Å; R279-D322 PolarHBondContact NH2-OD2 3.33Å | ||
| 280 | T | 93 | Very high | 91.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | trans | -73.3 | -177.8 | 157.2 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | A231 R270 F284 Y285 L310 | A231-T280 WeakPolarHBondContact CB-O 3.08Å; R270-T280 PolarHBondContact O-OG1 2.73Å; T280-F284 HydrophobicContact CG2-CB 3.84Å; T280-F284 HydrophobicContact CG2-CD2 3.51Å; T280-F284 HydrophobicContact CG2-CE2 4.36Å; T280-F284 HydrophobicContact CG2-CG 3.96Å; T280-F284 WeakPolarHBondContact OG1-CD2 3.24Å; T280-Y285 HydrophobicContact CG2-CD2 4.22Å; T280-Y285 HydrophobicContact CG2-CE2 3.4Å; T280-Y285 PolarHBondContact N-OH 3.47Å; T280-L310 HydrophobicContact CG2-CD2 3.35Å | ||
| 281 | F | 95.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -53.3 | 140.6 | 177 | -61.9 | -85.6 | 0 | 0 | 0 | 112.1 | F228 N230 R241 L266 R270 A271 I283 F284 Y429 | F228-F281 WeakPolarHBondContact O-CD1 3.02Å; N230-F281 VanDerWaalsContact O-CA 3.29Å; N230-F281 WeakPolarHBondContact O-CA 3.34Å; R241-F281 HydrophobicContact CB-CE1 3.89Å; R241-F281 HydrophobicContact CB-CZ 4.4Å; L266-F281 HydrophobicContact CD1-CE1 3.67Å; L266-F281 HydrophobicContact CD1-CZ 3.88Å; L266-F281 HydrophobicContact CG-CE1 4.46Å; L266-F281 HydrophobicContact CG-CZ 4.18Å; R270-F281 HydrophobicContact CB-CE2 4.04Å; R270-F281 HydrophobicContact CB-CZ 4.41Å; R270-F281 HydrophobicContact CG-CE2 4.49Å; A271-F281 HydrophobicContact CB-CD2 4.23Å; A271-F281 HydrophobicContact CB-CE2 4.08Å; F281-I283 VanDerWaalsContact C-N 3.3Å; F281-I283 HydrophobicContact CB-CG2 4.46Å; F281-I283 PolarHBondContact O-N 2.77Å; F281-F284 HydrophobicContact CB-CD2 4Å; F281-F284 HydrophobicContact CB-CE2 4.09Å; F281-F284 HydrophobicContact CD2-CE2 4.18Å; F281-F284 WeakPolarHBondContact O-CD2 3.07Å; F281-F284 PolarHBondContact O-N 3.11Å; F281-Y429 HydrophobicContact CB-CE1 4.38Å; F281-Y429 WeakPolarHBondContact CB-OH 3.27Å; F281-Y429 HydrophobicContact CD1-CE1 4.19Å; F281-Y429 HydrophobicContact CD2-CD1 4.26Å; F281-Y429 AromaticContact CD2-CE1 3.54Å; F281-Y429 HydrophobicContact CD2-CE1 3.54Å; F281-Y429 AromaticContact CD2-CZ 3.86Å; F281-Y429 HydrophobicContact CE1-CE1 4.35Å; F281-Y429 HydrophobicContact CE2-CD1 4.15Å; F281-Y429 AromaticContact CE2-CE1 3.74Å; F281-Y429 HydrophobicContact CE2-CE1 3.74Å; F281-Y429 AromaticContact CG-CE1 3.77Å; F281-Y429 HydrophobicContact CG-CE1 3.77Å; F281-Y429 AromaticContact CG-CZ 3.87Å; F281-Y429 WeakPolarHBondContact CG-OH 3.46Å; F281-Y429 HydrophobicContact CZ-CE1 4.15Å |
| 282 | H | 95.2 | Very high | 91.6 | Very high | 2 Ų | 2 | 35.5 Ų | 35.5 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.6 | -36.3 | -166.5 | -62.2 | -71.3 | 0 | 0 | 0 | 114 | A227 N230 A231 D237 N238 F284 Y285 Y286 I317 | A227-H282 PolarHBondContact O-N 3.21Å; N230-H282 PolarHBondContact O-CD2 3.21Å; N230-H282 PolarHBondContact O-N 2.67Å; N230-H282 VanDerWaalsContact O-N 3.09Å; A231-H282 WeakPolarHBondContact CA-NE2 3.47Å; A231-H282 PolarHBondContact N-NE2 2.85Å; D237-H282 PolarHBondContact O-CE1 3.1Å; N238-H282 PolarHBondContact OD1-NE2 3.28Å; H282-F284 PolarHBondContact O-N 3.31Å; H282-F284 VanDerWaalsContact O-N 3.09Å; H282-Y285 PolarHBondContact O-N 2.78Å; H282-Y286 HydrophobicContact CB-CD1 4.4Å; H282-Y286 HydrophobicContact CB-CD2 4.24Å; H282-Y286 HydrophobicContact CB-CE1 3.87Å; H282-Y286 HydrophobicContact CB-CE2 3.68Å; H282-Y286 VanDerWaalsContact CB-CZ 3.48Å; H282-Y286 WeakPolarHBondContact O-CD1 3.06Å; H282-Y286 PolarHBondContact O-N 2.76Å; H282-I317 VanDerWaalsContact CE1-CD1 3.45Å; H282-I317 WeakPolarHBondContact CE1-CD1 3.12Å; H282-I317 VanDerWaalsContact ND1-CD1 3.26Å; H282-I317 WeakPolarHBondContact ND1-CD1 3.41Å |
| 283 | I | 96.1 | Very high | 91.5 | Very high | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -51.7 | -34.1 | -179.7 | -174.1 | 62.3 | 0 | 0 | 0 | 113.9 | A227 F228 F281 Y285 Y286 M287 L347 V350 Y429 | A227-I283 HydrophobicContact CB-CB 4.47Å; A227-I283 VanDerWaalsContact O-CB 3.31Å; A227-I283 WeakPolarHBondContact O-CB 3.13Å; A227-I283 WeakPolarHBondContact O-CG2 2.99Å; A227-I283 PolarHBondContact O-N 3.22Å; F228-I283 HydrophobicContact CD1-CB 4.43Å; F228-I283 HydrophobicContact CD1-CG1 4.3Å; F228-I283 HydrophobicContact CD1-CG2 3.96Å; F228-I283 HydrophobicContact CD2-CB 4.43Å; F228-I283 HydrophobicContact CD2-CG1 4.37Å; F228-I283 HydrophobicContact CE1-CB 4.47Å; F228-I283 HydrophobicContact CE1-CG1 3.85Å; F228-I283 HydrophobicContact CE1-CG2 4.27Å; F228-I283 HydrophobicContact CE2-CB 4.46Å; F228-I283 HydrophobicContact CE2-CD1 3.92Å; F228-I283 HydrophobicContact CE2-CG1 3.93Å; F228-I283 HydrophobicContact CG-CB 4.41Å; F228-I283 HydrophobicContact CG-CG2 4.19Å; F228-I283 HydrophobicContact CZ-CB 4.47Å; F228-I283 HydrophobicContact CZ-CD1 3.89Å; F228-I283 HydrophobicContact CZ-CG1 3.64Å; F281-I283 VanDerWaalsContact C-N 3.3Å; F281-I283 HydrophobicContact CB-CG2 4.46Å; F281-I283 PolarHBondContact O-N 2.77Å; I283-Y285 VanDerWaalsContact C-N 3.35Å; I283-Y285 PolarHBondContact O-N 3.28Å; I283-Y286 PolarHBondContact O-N 3Å; I283-M287 VanDerWaalsContact O-CB 3.26Å; I283-M287 WeakPolarHBondContact O-CB 3.31Å; I283-M287 PolarHBondContact O-N 2.91Å; I283-L347 HydrophobicContact CD1-CD2 4.33Å; I283-V350 HydrophobicContact CG1-CG1 4.4Å; I283-V350 HydrophobicContact CG1-CG2 4.37Å; I283-V350 HydrophobicContact CG2-CG1 4.42Å; I283-Y429 HydrophobicContact CG2-CE2 4.4Å; I283-Y429 WeakPolarHBondContact CG2-OH 3.37Å |
| 284 | F | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.7 | -43.7 | 178.4 | -69.9 | -67.6 | 0 | 0 | 0 | 111.7 | A271 T280 F281 H282 I288 V350 V353 L354 Y429 | A271-F284 HydrophobicContact CB-CE2 4.42Å; T280-F284 HydrophobicContact CG2-CB 3.84Å; T280-F284 HydrophobicContact CG2-CD2 3.51Å; T280-F284 HydrophobicContact CG2-CE2 4.36Å; T280-F284 HydrophobicContact CG2-CG 3.96Å; T280-F284 WeakPolarHBondContact OG1-CD2 3.24Å; F281-F284 HydrophobicContact CB-CD2 4Å; F281-F284 HydrophobicContact CB-CE2 4.09Å; F281-F284 HydrophobicContact CD2-CE2 4.18Å; F281-F284 WeakPolarHBondContact O-CD2 3.07Å; F281-F284 PolarHBondContact O-N 3.11Å; H282-F284 PolarHBondContact O-N 3.31Å; H282-F284 VanDerWaalsContact O-N 3.09Å; F284-I288 WeakPolarHBondContact O-CD1 3.13Å; F284-I288 VanDerWaalsContact O-CG1 3.24Å; F284-I288 WeakPolarHBondContact O-CG1 3.5Å; F284-I288 PolarHBondContact O-N 3.36Å; F284-V350 HydrophobicContact CD1-CG1 3.44Å; F284-V350 VanDerWaalsContact CD1-CG1 3.44Å; F284-V350 HydrophobicContact CE1-CG1 3.54Å; F284-V350 HydrophobicContact CG-CG1 4.32Å; F284-V350 HydrophobicContact CZ-CG1 4.46Å; F284-V353 HydrophobicContact CE1-CB 4.28Å; F284-V353 HydrophobicContact CE1-CG1 3.94Å; F284-V353 HydrophobicContact CZ-CB 4.48Å; F284-V353 HydrophobicContact CZ-CG1 3.76Å; F284-L354 HydrophobicContact CB-CD2 4.39Å; F284-L354 HydrophobicContact CD1-CD1 3.89Å; F284-L354 HydrophobicContact CD1-CD2 3.55Å; F284-L354 HydrophobicContact CD1-CG 3.5Å; F284-L354 VanDerWaalsContact CD1-CG 3.5Å; F284-L354 HydrophobicContact CE1-CD2 4.02Å; F284-L354 HydrophobicContact CE1-CG 3.86Å; F284-L354 HydrophobicContact CG-CD2 4.16Å; F284-Y429 HydrophobicContact CE1-CD2 4.47Å; F284-Y429 HydrophobicContact CE1-CE2 4.24Å; F284-Y429 HydrophobicContact CE2-CD2 4.1Å; F284-Y429 AromaticContact CE2-CE2 3.54Å; F284-Y429 HydrophobicContact CE2-CE2 3.54Å; F284-Y429 AromaticContact CE2-CZ 3.93Å; F284-Y429 AromaticContact CZ-CD2 3.56Å; F284-Y429 HydrophobicContact CZ-CD2 3.56Å; F284-Y429 AromaticContact CZ-CE2 3.36Å; F284-Y429 HydrophobicContact CZ-CE2 3.36Å |
| 285 | Y | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -75.6 | -40.5 | 177.5 | -57.4 | -94.4 | 0 | 0 | 0 | 111.4 | R279 T280 H282 I283 M287 I288 A289 F304 F314 | R279-Y285 HydrophobicContact CB-CE2 3.66Å; R279-Y285 HydrophobicContact CG-CE1 4.42Å; R279-Y285 HydrophobicContact CG-CE2 3.95Å; R279-Y285 VanDerWaalsContact CZ-CD2 3.5Å; R279-Y285 VanDerWaalsContact CZ-CG 3.41Å; R279-Y285 VanDerWaalsContact NH2-CD2 3.33Å; R279-Y285 VanDerWaalsContact NH2-CG 3.29Å; T280-Y285 HydrophobicContact CG2-CD2 4.22Å; T280-Y285 HydrophobicContact CG2-CE2 3.4Å; T280-Y285 PolarHBondContact N-OH 3.47Å; H282-Y285 PolarHBondContact O-N 2.78Å; I283-Y285 VanDerWaalsContact C-N 3.35Å; I283-Y285 PolarHBondContact O-N 3.28Å; Y285-M287 VanDerWaalsContact C-N 3.28Å; Y285-M287 PolarHBondContact O-N 2.93Å; Y285-I288 PolarHBondContact O-N 3.12Å; Y285-A289 WeakPolarHBondContact O-CB 3.4Å; Y285-A289 PolarHBondContact O-N 3.25Å; Y285-F304 HydrophobicContact CD1-CD1 4Å; Y285-F304 AromaticContact CD1-CE1 3.94Å; Y285-F304 HydrophobicContact CD1-CE1 3.94Å; Y285-F314 HydrophobicContact CD1-CD2 4.3Å |
| 286 | Y | 95.3 | Very high | 92.3 | Very high | 21 Ų | 21 | 44.2 Ų | 44.2 | 8% | 0.082 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.9 | -45 | 176 | -64.3 | -10.1 | 0 | 0 | 0 | 110.9 | A227 H282 I283 A289 G290 D322 M325 F326 | A227-Y286 HydrophobicContact CB-CD2 4.09Å; A227-Y286 HydrophobicContact CB-CE2 3.93Å; H282-Y286 HydrophobicContact CB-CD1 4.4Å; H282-Y286 HydrophobicContact CB-CD2 4.24Å; H282-Y286 HydrophobicContact CB-CE1 3.87Å; H282-Y286 HydrophobicContact CB-CE2 3.68Å; H282-Y286 VanDerWaalsContact CB-CZ 3.48Å; H282-Y286 WeakPolarHBondContact O-CD1 3.06Å; H282-Y286 PolarHBondContact O-N 2.76Å; I283-Y286 PolarHBondContact O-N 3Å; Y286-A289 PolarHBondContact O-N 2.85Å; Y286-G290 PolarHBondContact O-N 3.45Å; Y286-D322 WeakPolarHBondContact CA-O 3.23Å; Y286-D322 HydrophobicContact CD1-CB 3.96Å; Y286-D322 WeakPolarHBondContact CD1-O 3.46Å; Y286-D322 VanDerWaalsContact CD1-OD1 3.27Å; Y286-D322 WeakPolarHBondContact CD1-OD1 2.96Å; Y286-D322 VanDerWaalsContact CE1-OD1 3.22Å; Y286-D322 WeakPolarHBondContact CE1-OD1 3.22Å; Y286-M325 HydrophobicContact CD1-CB 3.92Å; Y286-M325 HydrophobicContact CD2-CB 4.21Å; Y286-M325 HydrophobicContact CE1-CB 3.44Å; Y286-M325 VanDerWaalsContact CE1-CB 3.44Å; Y286-M325 HydrophobicContact CE1-CG 3.97Å; Y286-M325 HydrophobicContact CE2-CB 3.78Å; Y286-M325 HydrophobicContact CG-CB 4.28Å; Y286-F326 VanDerWaalsContact C-CD2 3.49Å; Y286-F326 WeakPolarHBondContact O-CB 3.41Å; Y286-F326 WeakPolarHBondContact O-CD2 3.42Å; Y286-F326 WeakPolarHBondContact O-CG 3Å |
| 287 | M | 95.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -65.5 | -44.4 | 176.2 | -177.4 | -179.7 | 63.8 | 0 | 0 | 112.5 | I283 Y285 A289 A291 L299 L301 F326 L347 V350 L354 | I283-M287 VanDerWaalsContact O-CB 3.26Å; I283-M287 WeakPolarHBondContact O-CB 3.31Å; I283-M287 PolarHBondContact O-N 2.91Å; Y285-M287 VanDerWaalsContact C-N 3.28Å; Y285-M287 PolarHBondContact O-N 2.93Å; M287-A289 VanDerWaalsContact C-N 3.27Å; M287-A289 PolarHBondContact O-N 2.83Å; M287-A291 WeakPolarHBondContact O-CB 3.11Å; M287-A291 PolarHBondContact O-N 3.37Å; M287-L299 HydrophobicContact CG-CD1 4.42Å; M287-L299 HydrophobicContact SD-CD1 4.14Å; M287-L301 HydrophobicContact CE-CD2 3.67Å; M287-L301 HydrophobicContact CG-CD1 3.71Å; M287-L301 HydrophobicContact CG-CD2 4.44Å; M287-L301 HydrophobicContact SD-CD1 4.27Å; M287-L301 HydrophobicContact SD-CD2 4.17Å; M287-F326 HydrophobicContact CB-CE2 4.25Å; M287-L347 HydrophobicContact CB-CD2 4.46Å; M287-L347 HydrophobicContact CG-CD2 4.18Å; M287-L347 HydrophobicContact SD-CB 4.28Å; M287-L347 HydrophobicContact SD-CD2 3.98Å; M287-V350 HydrophobicContact CE-CB 4.12Å; M287-V350 HydrophobicContact CE-CG1 3.58Å; M287-V350 HydrophobicContact SD-CB 4.11Å; M287-V350 HydrophobicContact SD-CG1 4.05Å; M287-L354 HydrophobicContact CE-CD1 3.68Å |
| 288 | I | 94.6 | Very high | 92.8 | Very high | 3 Ų | 3 | 37.8 Ų | 37.8 | 2% | 0.015 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.8 | -26.8 | 178.9 | -64.1 | 162 | 0 | 0 | 0 | 112.1 | F284 Y285 R296 F304 Y307 L310 L354 | F284-I288 WeakPolarHBondContact O-CD1 3.13Å; F284-I288 VanDerWaalsContact O-CG1 3.24Å; F284-I288 WeakPolarHBondContact O-CG1 3.5Å; F284-I288 PolarHBondContact O-N 3.36Å; Y285-I288 PolarHBondContact O-N 3.12Å; I288-R296 VanDerWaalsContact O-CZ 3.27Å; I288-R296 PolarHBondContact O-NH1 2.92Å; I288-R296 VanDerWaalsContact O-NH1 3.12Å; I288-R296 PolarHBondContact O-NH2 3.45Å; I288-F304 HydrophobicContact CB-CD1 4Å; I288-F304 HydrophobicContact CB-CE1 3.65Å; I288-F304 HydrophobicContact CB-CZ 4.21Å; I288-F304 HydrophobicContact CD1-CD1 3.97Å; I288-F304 HydrophobicContact CD1-CE1 4.35Å; I288-F304 HydrophobicContact CG2-CD1 3.56Å; I288-F304 HydrophobicContact CG2-CD2 4.2Å; I288-F304 HydrophobicContact CG2-CE1 3.45Å; I288-F304 VanDerWaalsContact CG2-CE1 3.45Å; I288-F304 HydrophobicContact CG2-CE2 4.1Å; I288-F304 HydrophobicContact CG2-CG 3.95Å; I288-F304 HydrophobicContact CG2-CZ 3.74Å; I288-Y307 HydrophobicContact CD1-CD2 3.92Å; I288-Y307 HydrophobicContact CD1-CE2 3.51Å; I288-Y307 HydrophobicContact CG1-CE2 4Å; I288-L310 HydrophobicContact CD1-CD1 3.8Å; I288-L354 HydrophobicContact CD1-CD1 3.95Å; I288-L354 HydrophobicContact CG1-CD1 4.33Å |
| 289 | A | 93.2 | Very high | 93 | Very high | 28 Ų | 28 | 37.7 Ų | 37.7 | 23% | 0.231 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -87.2 | -59.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | Y285 Y286 M287 R296 F304 D322 D323 | Y285-A289 WeakPolarHBondContact O-CB 3.4Å; Y285-A289 PolarHBondContact O-N 3.25Å; Y286-A289 PolarHBondContact O-N 2.85Å; M287-A289 VanDerWaalsContact C-N 3.27Å; M287-A289 PolarHBondContact O-N 2.83Å; A289-R296 PolarHBondContact O-NH2 3.4Å; A289-F304 HydrophobicContact CB-CZ 4.43Å; A289-D322 HydrophobicContact CB-CB 3.74Å; A289-D323 HydrophobicContact CB-CB 4.14Å |
| 290 | G | 93 | Very high | 93.2 | Very high | 16 Ų | 16 | 40.4 Ų | 40.4 | 17% | 0.165 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -87.3 | -10 | -169 | 0 | 0 | 0 | 0 | 0 | 116.5 | Y286 K292 F326 | Y286-G290 PolarHBondContact O-N 3.45Å; G290-K292 PolarHBondContact O-N 2.83Å; G290-F326 WeakPolarHBondContact O-CD1 3.35Å; G290-F326 WeakPolarHBondContact O-CE1 2.95Å |
| 291 | A | 92 | Very high | 93.2 | Very high | 4 Ų | 4 | 41.5 Ų | 41.5 | 3% | 0.033 | 21% | 0.21 | C | C | . | . | trans | -61 | 128.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M287 M295 R296 L301 | M287-A291 WeakPolarHBondContact O-CB 3.11Å; M287-A291 PolarHBondContact O-N 3.37Å; A291-M295 HydrophobicContact CB-CG 4.17Å; A291-M295 HydrophobicContact CB-SD 4.15Å; A291-R296 HydrophobicContact CB-CG 3.84Å; A291-R296 WeakPolarHBondContact O-CG 3.35Å; A291-R296 PolarHBondContact O-NE 2.89Å; A291-L301 HydrophobicContact CB-CD1 3.94Å | ||
| 292 | K | 90 | Very high | 93 | Very high | 142 Ų | 142 | 44.3 Ų | 44.3 | 62% | 0.617 | 22% | 0.223 | S | C | * | . | trans | -70.6 | 151.5 | 177.5 | -63.8 | 169.8 | -173.8 | 167 | 0 | 109.7 | G290 K294 M295 R296 | G290-K292 PolarHBondContact O-N 2.83Å; K292-K294 VanDerWaalsContact C-N 3.31Å; K292-K294 PolarHBondContact O-N 3.36Å; K292-K294 VanDerWaalsContact O-N 3.1Å; K292-M295 CarbonylContact O-C 3.51Å; K292-M295 WeakPolarHBondContact O-CA 3.48Å; K292-M295 WeakPolarHBondContact O-CB 3.46Å; K292-M295 PolarHBondContact O-N 2.69Å; K292-R296 PolarHBondContact O-N 3.2Å | ||
| 293 | E | 88.7 | Confident | 92.8 | Very high | 153 Ų | 153 | 46 Ų | 46 | 72% | 0.715 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -51.1 | -43.4 | -169.4 | -165 | 64.7 | -173.8 | 0 | 0 | 114.7 | M295 R296 S297 | E293-M295 PolarHBondContact O-N 2.84Å; E293-R296 WeakPolarHBondContact O-CB 2.92Å; E293-R296 PolarHBondContact O-N 3.41Å; E293-R296 WeakPolarHBondContact OE2-CD 3.43Å; E293-S297 PolarHBondContact O-N 3.12Å; E293-S297 VanDerWaalsContact O-N 3.1Å |
| 294 | K | 89.6 | Confident | 92.6 | Very high | 152 Ų | 152 | 48 Ų | 48 | 66% | 0.661 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -59.3 | -47.3 | 173.7 | -166.5 | -151.5 | 173.6 | -120.8 | 0 | 111.8 | K292 R296 S297 D298 | K292-K294 VanDerWaalsContact C-N 3.31Å; K292-K294 PolarHBondContact O-N 3.36Å; K292-K294 VanDerWaalsContact O-N 3.1Å; K294-R296 VanDerWaalsContact C-N 3.33Å; K294-R296 PolarHBondContact O-N 3.49Å; K294-S297 PolarHBondContact O-N 3.22Å; K294-D298 VanDerWaalsContact CE-OD2 3.29Å; K294-D298 WeakPolarHBondContact CE-OD2 3.08Å; K294-D298 IonicContact NZ-OD1 2.83Å; K294-D298 IonicContact NZ-OD2 3.08Å; K294-D298 PolarHBondContact NZ-OD2 3Å; K294-D298 WeakPolarHBondContact O-CB 3.22Å; K294-D298 PolarHBondContact O-N 3.06Å |
| 295 | M | 91.3 | Very high | 92.3 | Very high | 51 Ų | 51 | 54.4 Ų | 54.4 | 25% | 0.251 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65 | -33.9 | 177.8 | 178 | -179.3 | -84.5 | 0 | 0 | 111.8 | A291 K292 E293 D298 L299 F326 L344 L347 | A291-M295 HydrophobicContact CB-CG 4.17Å; A291-M295 HydrophobicContact CB-SD 4.15Å; K292-M295 CarbonylContact O-C 3.51Å; K292-M295 WeakPolarHBondContact O-CA 3.48Å; K292-M295 WeakPolarHBondContact O-CB 3.46Å; K292-M295 PolarHBondContact O-N 2.69Å; E293-M295 PolarHBondContact O-N 2.84Å; M295-D298 PolarHBondContact O-N 3.15Å; M295-L299 HydrophobicContact CG-CD1 3.52Å; M295-L299 HydrophobicContact CG-CG 4.07Å; M295-L299 WeakPolarHBondContact O-CB 2.93Å; M295-L299 WeakPolarHBondContact O-CG 3.48Å; M295-L299 PolarHBondContact O-N 3.39Å; M295-L299 HydrophobicContact SD-CD1 4.29Å; M295-F326 HydrophobicContact SD-CE1 4.39Å; M295-F326 HydrophobicContact SD-CZ 4Å; M295-L344 HydrophobicContact CE-CD1 4.44Å; M295-L347 HydrophobicContact CE-CD1 3.91Å; M295-L347 HydrophobicContact SD-CD1 3.82Å |
| 296 | R | 92 | Very high | 92.2 | Very high | 66 Ų | 66 | 58.3 Ų | 58.3 | 25% | 0.249 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -60.3 | -44.2 | 171.5 | -66.8 | 173.8 | 175.3 | -99.2 | -4.4 | 111.8 | I288 A289 A291 K292 E293 K294 L300 L301 | I288-R296 VanDerWaalsContact O-CZ 3.27Å; I288-R296 PolarHBondContact O-NH1 2.92Å; I288-R296 VanDerWaalsContact O-NH1 3.12Å; I288-R296 PolarHBondContact O-NH2 3.45Å; A289-R296 PolarHBondContact O-NH2 3.4Å; A291-R296 HydrophobicContact CB-CG 3.84Å; A291-R296 WeakPolarHBondContact O-CG 3.35Å; A291-R296 PolarHBondContact O-NE 2.89Å; K292-R296 PolarHBondContact O-N 3.2Å; E293-R296 WeakPolarHBondContact O-CB 2.92Å; E293-R296 PolarHBondContact O-N 3.41Å; E293-R296 WeakPolarHBondContact OE2-CD 3.43Å; K294-R296 VanDerWaalsContact C-N 3.33Å; K294-R296 PolarHBondContact O-N 3.49Å; R296-L300 PolarHBondContact O-N 2.76Å; R296-L300 VanDerWaalsContact O-N 3.11Å; R296-L301 HydrophobicContact CB-CB 4.45Å; R296-L301 PolarHBondContact O-N 3.05Å |
| 297 | S | 91.9 | Very high | 92.1 | Very high | 84 Ų | 84 | 57.6 Ų | 57.6 | 59% | 0.587 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -67.3 | -48.2 | 174.9 | -173.5 | 0 | 0 | 0 | 0 | 112 | E293 K294 L299 L300 | E293-S297 PolarHBondContact O-N 3.12Å; E293-S297 VanDerWaalsContact O-N 3.1Å; K294-S297 PolarHBondContact O-N 3.22Å; S297-L299 PolarHBondContact O-N 3.39Å; S297-L300 PolarHBondContact O-N 2.96Å; S297-L300 VanDerWaalsContact O-N 3.14Å |
| 298 | D | 91.1 | Very high | 92 | Very high | 68 Ų | 68 | 62.2 Ų | 62.2 | 36% | 0.364 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.7 | -30.4 | -179.1 | -66 | -17.7 | 0 | 0 | 0 | 112.1 | K294 M295 | K294-D298 VanDerWaalsContact CE-OD2 3.29Å; K294-D298 WeakPolarHBondContact CE-OD2 3.08Å; K294-D298 IonicContact NZ-OD1 2.83Å; K294-D298 IonicContact NZ-OD2 3.08Å; K294-D298 PolarHBondContact NZ-OD2 3Å; K294-D298 WeakPolarHBondContact O-CB 3.22Å; K294-D298 PolarHBondContact O-N 3.06Å; M295-D298 PolarHBondContact O-N 3.15Å |
| 299 | L | 93.6 | Very high | 92 | Very high | 0 Ų | 0 | 62.6 Ų | 62.6 | 0% | 0 | 33% | 0.332 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -0.9 | 178.2 | -65.4 | 177.7 | 0 | 0 | 0 | 114.3 | M287 M295 S297 L301 L344 L347 K348 S351 | M287-L299 HydrophobicContact CG-CD1 4.42Å; M287-L299 HydrophobicContact SD-CD1 4.14Å; M295-L299 HydrophobicContact CG-CD1 3.52Å; M295-L299 HydrophobicContact CG-CG 4.07Å; M295-L299 WeakPolarHBondContact O-CB 2.93Å; M295-L299 WeakPolarHBondContact O-CG 3.48Å; M295-L299 PolarHBondContact O-N 3.39Å; M295-L299 HydrophobicContact SD-CD1 4.29Å; S297-L299 PolarHBondContact O-N 3.39Å; L299-L301 HydrophobicContact CB-CD1 3.99Å; L299-L301 HydrophobicContact CB-CD2 4.38Å; L299-L301 HydrophobicContact CB-CG 3.75Å; L299-L301 HydrophobicContact CD1-CD1 4Å; L299-L301 PolarHBondContact O-N 3.4Å; L299-L344 HydrophobicContact CD2-CD1 4.05Å; L299-L344 HydrophobicContact CG-CD1 4.45Å; L299-L347 HydrophobicContact CD1-CB 3.72Å; L299-L347 HydrophobicContact CD1-CD1 4.47Å; L299-L347 HydrophobicContact CD2-CB 4.07Å; L299-K348 HydrophobicContact CD2-CB 4.28Å; L299-K348 HydrophobicContact CD2-CG 3.85Å; L299-S351 WeakPolarHBondContact O-CB 3.48Å; L299-S351 PolarHBondContact O-OG 3.34Å |
| 300 | L | 94.9 | Very high | 92.1 | Very high | 58 Ų | 58 | 61.6 Ų | 61.6 | 30% | 0.304 | 32% | 0.323 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 43.4 | -177.3 | -54 | 174.9 | 0 | 0 | 0 | 113.6 | R296 S297 Q355 K380 L384 | R296-L300 PolarHBondContact O-N 2.76Å; R296-L300 VanDerWaalsContact O-N 3.11Å; S297-L300 PolarHBondContact O-N 2.96Å; S297-L300 VanDerWaalsContact O-N 3.14Å; L300-Q355 PolarHBondContact O-NE2 3.33Å; L300-K380 HydrophobicContact CD1-CB 3.97Å; L300-K380 HydrophobicContact CD1-CG 4.06Å; L300-L384 HydrophobicContact CD1-CD2 4.49Å; L300-L384 HydrophobicContact CD1-CG 4.23Å |
| 301 | L | 93.1 | Very high | 91.8 | Very high | 23 Ų | 23 | 63.8 Ų | 63.8 | 12% | 0.12 | 34% | 0.335 | C | S | . | . | trans | -86.3 | 139.3 | -176.2 | -63.7 | 174.7 | 0 | 0 | 0 | 113.8 | M287 A291 R296 L299 Y307 S351 | M287-L301 HydrophobicContact CE-CD2 3.67Å; M287-L301 HydrophobicContact CG-CD1 3.71Å; M287-L301 HydrophobicContact CG-CD2 4.44Å; M287-L301 HydrophobicContact SD-CD1 4.27Å; M287-L301 HydrophobicContact SD-CD2 4.17Å; A291-L301 HydrophobicContact CB-CD1 3.94Å; R296-L301 HydrophobicContact CB-CB 4.45Å; R296-L301 PolarHBondContact O-N 3.05Å; L299-L301 HydrophobicContact CB-CD1 3.99Å; L299-L301 HydrophobicContact CB-CD2 4.38Å; L299-L301 HydrophobicContact CB-CG 3.75Å; L299-L301 HydrophobicContact CD1-CD1 4Å; L299-L301 PolarHBondContact O-N 3.4Å; L301-Y307 WeakPolarHBondContact CA-OH 3.37Å; L301-Y307 WeakPolarHBondContact CD2-OH 3.16Å; L301-S351 WeakPolarHBondContact CD2-OG 3.25Å | ||
| 302 | E | 92 | Very high | 91.8 | Very high | 58 Ų | 58 | 66 Ų | 66 | 27% | 0.271 | 35% | 0.346 | S | S | . | . | trans | -117.4 | 177.9 | 173.2 | -63.9 | 178.7 | -131 | 0 | 0 | 111.6 | N306 Y307 K380 | E302-N306 HydrophobicContact CB-CB 3.81Å; E302-N306 PolarHBondContact OE2-ND2 2.87Å; E302-Y307 PolarHBondContact N-OH 3.07Å; E302-Y307 VanDerWaalsContact O-CE2 3.31Å; E302-Y307 WeakPolarHBondContact O-CE2 3.37Å; E302-Y307 PolarHBondContact O-OH 3.45Å; E302-K380 IonicContact OE1-NZ 2.7Å; E302-K380 PolarHBondContact OE1-NZ 2.99Å | ||
| 303 | G | 89.9 | Confident | 91.8 | Very high | 37 Ų | 37 | 59.8 Ų | 59.8 | 38% | 0.381 | 32% | 0.323 | S | S | . | . | trans | -73 | 160.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | N305 N306 | G303-N305 VanDerWaalsContact C-N 3.26Å; G303-N305 PolarHBondContact O-N 2.73Å; G303-N306 WeakPolarHBondContact O-CB 3.48Å; G303-N306 PolarHBondContact O-N 2.69Å | ||
| 304 | F | 91.3 | Very high | 91.9 | Very high | 45 Ų | 45 | 56.9 Ų | 56.9 | 20% | 0.197 | 31% | 0.308 | C | S | . | . | G | 310 helix | trans | -50.7 | -37.5 | -171.8 | -57.4 | -78.5 | 0 | 0 | 0 | 115.4 | Y285 I288 A289 N306 F314 | Y285-F304 HydrophobicContact CD1-CD1 4Å; Y285-F304 AromaticContact CD1-CE1 3.94Å; Y285-F304 HydrophobicContact CD1-CE1 3.94Å; I288-F304 HydrophobicContact CB-CD1 4Å; I288-F304 HydrophobicContact CB-CE1 3.65Å; I288-F304 HydrophobicContact CB-CZ 4.21Å; I288-F304 HydrophobicContact CD1-CD1 3.97Å; I288-F304 HydrophobicContact CD1-CE1 4.35Å; I288-F304 HydrophobicContact CG2-CD1 3.56Å; I288-F304 HydrophobicContact CG2-CD2 4.2Å; I288-F304 HydrophobicContact CG2-CE1 3.45Å; I288-F304 VanDerWaalsContact CG2-CE1 3.45Å; I288-F304 HydrophobicContact CG2-CE2 4.1Å; I288-F304 HydrophobicContact CG2-CG 3.95Å; I288-F304 HydrophobicContact CG2-CZ 3.74Å; A289-F304 HydrophobicContact CB-CZ 4.43Å; F304-N306 PolarHBondContact O-N 3.11Å; F304-F314 HydrophobicContact CB-CB 3.84Å; F304-F314 HydrophobicContact CD1-CB 4.38Å; F304-F314 AromaticContact CD1-CD2 3.87Å; F304-F314 HydrophobicContact CD1-CD2 3.87Å; F304-F314 HydrophobicContact CD2-CB 3.88Å; F304-F314 AromaticContact CD2-CD2 3.82Å; F304-F314 HydrophobicContact CD2-CD2 3.82Å; F304-F314 HydrophobicContact CD2-CG 4.03Å; F304-F314 AromaticContact CE1-CD2 3.69Å; F304-F314 HydrophobicContact CE1-CD2 3.69Å; F304-F314 HydrophobicContact CE1-CE2 4.2Å; F304-F314 AromaticContact CE2-CD2 3.65Å; F304-F314 HydrophobicContact CE2-CD2 3.65Å; F304-F314 HydrophobicContact CE2-CE2 4.13Å; F304-F314 HydrophobicContact CE2-CG 4.19Å; F304-F314 HydrophobicContact CG-CB 3.79Å; F304-F314 AromaticContact CG-CD2 3.93Å; F304-F314 HydrophobicContact CG-CD2 3.93Å; F304-F314 HydrophobicContact CG-CG 4.24Å; F304-F314 AromaticContact CZ-CD2 3.58Å; F304-F314 HydrophobicContact CZ-CD2 3.58Å; F304-F314 AromaticContact CZ-CE2 3.85Å; F304-F314 HydrophobicContact CZ-CE2 3.85Å |
| 305 | N | 91.3 | Very high | 91.9 | Very high | 133 Ų | 133 | 50.5 Ų | 50.5 | 71% | 0.711 | 28% | 0.282 | S | S | * | . | G | 310 helix | trans | -80.3 | -0.1 | -176.5 | -63.7 | -7.1 | 0 | 0 | 0 | 113.6 | G303 | G303-N305 VanDerWaalsContact C-N 3.26Å; G303-N305 PolarHBondContact O-N 2.73Å |
| 306 | N | 92.4 | Very high | 91.8 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 44% | 0.444 | 29% | 0.293 | S | S | . | . | G | 310 helix | trans | -96.2 | 7.9 | -179.1 | -64.1 | 26.7 | 0 | 0 | 0 | 112.8 | E302 G303 F304 N358 | E302-N306 HydrophobicContact CB-CB 3.81Å; E302-N306 PolarHBondContact OE2-ND2 2.87Å; G303-N306 WeakPolarHBondContact O-CB 3.48Å; G303-N306 PolarHBondContact O-N 2.69Å; F304-N306 PolarHBondContact O-N 3.11Å; N306-N358 PolarHBondContact O-ND2 2.94Å; N306-N358 PolarHBondContact O-OD1 2.9Å |
| 307 | Y | 93.9 | Very high | 91.6 | Very high | 6 Ų | 6 | 49.6 Ų | 49.6 | 2% | 0.024 | 29% | 0.287 | C | S | . | . | trans | -122.1 | 118 | -178.9 | -56 | -77.5 | 0 | 0 | 0 | 111.5 | I288 L301 E302 F309 L310 L354 Q355 N358 | I288-Y307 HydrophobicContact CD1-CD2 3.92Å; I288-Y307 HydrophobicContact CD1-CE2 3.51Å; I288-Y307 HydrophobicContact CG1-CE2 4Å; L301-Y307 WeakPolarHBondContact CA-OH 3.37Å; L301-Y307 WeakPolarHBondContact CD2-OH 3.16Å; E302-Y307 PolarHBondContact N-OH 3.07Å; E302-Y307 VanDerWaalsContact O-CE2 3.31Å; E302-Y307 WeakPolarHBondContact O-CE2 3.37Å; E302-Y307 PolarHBondContact O-OH 3.45Å; Y307-F309 VanDerWaalsContact C-N 3.26Å; Y307-F309 PolarHBondContact O-N 2.67Å; Y307-L310 HydrophobicContact CD2-CD1 3.91Å; Y307-L310 HydrophobicContact CG-CD1 4.44Å; Y307-L310 PolarHBondContact O-N 2.65Å; Y307-L354 HydrophobicContact CD1-CB 3.64Å; Y307-L354 HydrophobicContact CD1-CD1 4.43Å; Y307-L354 HydrophobicContact CD1-CG 4.43Å; Y307-L354 HydrophobicContact CE1-CB 3.74Å; Y307-L354 HydrophobicContact CE1-CD1 4.14Å; Y307-L354 HydrophobicContact CE2-CD1 4.35Å; Y307-L354 HydrophobicContact CG-CB 4.3Å; Y307-L354 HydrophobicContact CG-CD2 4.37Å; Y307-Q355 HydrophobicContact CE1-CG 4.46Å; Y307-N358 WeakPolarHBondContact CA-OD1 3.41Å | ||
| 308 | T | 93.4 | Very high | 91.2 | Very high | 96 Ų | 96 | 49.6 Ų | 49.6 | 59% | 0.589 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -26 | -176.6 | -58.3 | 0 | 0 | 0 | 0 | 112.8 | L310 G357 N358 | T308-L310 VanDerWaalsContact C-N 3.25Å; T308-L310 PolarHBondContact O-N 2.81Å; T308-G357 VanDerWaalsContact CB-O 3.28Å; T308-G357 WeakPolarHBondContact CB-O 3.49Å; T308-N358 PolarHBondContact N-OD1 3.42Å; T308-N358 PolarHBondContact OG1-OD1 2.73Å |
| 309 | F | 94.3 | Very high | 90.7 | Very high | 11 Ų | 11 | 52 Ų | 52 | 5% | 0.048 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.8 | -4.8 | 173 | -70.4 | -18.3 | 0 | 0 | 0 | 114.6 | I272 Q274 Y307 S311 V353 L356 G357 E422 A425 | I272-F309 HydrophobicContact CB-CD1 3.84Å; I272-F309 HydrophobicContact CB-CD2 4.48Å; I272-F309 HydrophobicContact CB-CE1 3.79Å; I272-F309 HydrophobicContact CB-CE2 4.44Å; I272-F309 HydrophobicContact CB-CG 4.2Å; I272-F309 HydrophobicContact CB-CZ 4.11Å; I272-F309 HydrophobicContact CG2-CD1 4.22Å; I272-F309 HydrophobicContact CG2-CD2 4.1Å; I272-F309 HydrophobicContact CG2-CE1 3.89Å; I272-F309 HydrophobicContact CG2-CE2 3.77Å; I272-F309 HydrophobicContact CG2-CG 4.33Å; I272-F309 HydrophobicContact CG2-CZ 3.65Å; I272-F309 WeakPolarHBondContact O-CA 3.1Å; I272-F309 VanDerWaalsContact O-CD1 3.23Å; I272-F309 WeakPolarHBondContact O-CD1 3.48Å; Q274-F309 PolarHBondContact NE2-O 2.67Å; Q274-F309 PolarHBondContact OE1-O 2.67Å; Y307-F309 VanDerWaalsContact C-N 3.26Å; Y307-F309 PolarHBondContact O-N 2.67Å; F309-S311 PolarHBondContact O-N 3.22Å; F309-V353 WeakPolarHBondContact CD2-O 3.48Å; F309-V353 WeakPolarHBondContact CE2-O 3.47Å; F309-L356 HydrophobicContact CE2-CB 4.02Å; F309-G357 VanDerWaalsContact CE1-CA 3.48Å; F309-G357 VanDerWaalsContact CE2-CA 3.43Å; F309-E422 HydrophobicContact CE1-CG 4.22Å; F309-E422 HydrophobicContact CZ-CG 4.45Å; F309-A425 HydrophobicContact CE2-CB 3.55Å; F309-A425 HydrophobicContact CZ-CB 3.98Å |
| 310 | L | 93.8 | Very high | 90.2 | Very high | 8 Ų | 8 | 53.7 Ų | 53.7 | 4% | 0.042 | 33% | 0.328 | C | S | . | . | trans | -96.3 | 74 | 166.4 | -60.4 | -176 | 0 | 0 | 0 | 108.4 | T280 I288 Y307 T308 N312 G313 L354 | T280-L310 HydrophobicContact CG2-CD2 3.35Å; I288-L310 HydrophobicContact CD1-CD1 3.8Å; Y307-L310 HydrophobicContact CD2-CD1 3.91Å; Y307-L310 HydrophobicContact CG-CD1 4.44Å; Y307-L310 PolarHBondContact O-N 2.65Å; T308-L310 VanDerWaalsContact C-N 3.25Å; T308-L310 PolarHBondContact O-N 2.81Å; L310-N312 PolarHBondContact O-N 2.64Å; L310-N312 VanDerWaalsContact O-N 3.13Å; L310-G313 WeakPolarHBondContact O-CA 3.37Å; L310-G313 PolarHBondContact O-N 2.91Å; L310-L354 HydrophobicContact CD2-CD2 4.16Å; L310-L354 HydrophobicContact CG-CD2 4.19Å | ||
| 311 | S | 88.5 | Confident | 90 | Very high | 61 Ų | 61 | 56 Ų | 56 | 43% | 0.427 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.1 | -19.8 | -166.7 | 58.9 | 0 | 0 | 0 | 0 | 114.5 | Q274 F309 | Q274-S311 PolarHBondContact N-OG 2.74Å; Q274-S311 PolarHBondContact O-OG 2.65Å; Q274-S311 PolarHBondContact OE1-OG 2.69Å; F309-S311 PolarHBondContact O-N 3.22Å |
| 312 | N | 90.3 | Very high | 90 | Very high | 50 Ų | 50 | 55.5 Ų | 55.5 | 27% | 0.267 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -104.1 | 7.4 | 171.3 | -58.5 | -48.5 | 0 | 0 | 0 | 113.2 | A275 D277 E278 L310 V315 | A275-N312 PolarHBondContact O-ND2 2.93Å; D277-N312 PolarHBondContact N-ND2 3.37Å; E278-N312 PolarHBondContact N-ND2 3.5Å; E278-N312 PolarHBondContact O-ND2 3.15Å; L310-N312 PolarHBondContact O-N 2.64Å; L310-N312 VanDerWaalsContact O-N 3.13Å; N312-V315 HydrophobicContact CB-CG2 3.76Å |
| 313 | G | 90.3 | Very high | 90.1 | Very high | 12 Ų | 12 | 56.4 Ų | 56.4 | 12% | 0.124 | 34% | 0.341 | C | S | . | . | trans | 61.8 | -141.5 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | L310 V315 | L310-G313 WeakPolarHBondContact O-CA 3.37Å; L310-G313 PolarHBondContact O-N 2.91Å; G313-V315 PolarHBondContact O-N 2.85Å | ||
| 314 | F | 90.8 | Very high | 90.2 | Very high | 93 Ų | 93 | 59.7 Ų | 59.7 | 41% | 0.408 | 35% | 0.347 | S | S | . | . | trans | -78.4 | 113.9 | 172.6 | -179.5 | -107.2 | 0 | 0 | 0 | 111.7 | Y285 F304 P316 | Y285-F314 HydrophobicContact CD1-CD2 4.3Å; F304-F314 HydrophobicContact CB-CB 3.84Å; F304-F314 HydrophobicContact CD1-CB 4.38Å; F304-F314 AromaticContact CD1-CD2 3.87Å; F304-F314 HydrophobicContact CD1-CD2 3.87Å; F304-F314 HydrophobicContact CD2-CB 3.88Å; F304-F314 AromaticContact CD2-CD2 3.82Å; F304-F314 HydrophobicContact CD2-CD2 3.82Å; F304-F314 HydrophobicContact CD2-CG 4.03Å; F304-F314 AromaticContact CE1-CD2 3.69Å; F304-F314 HydrophobicContact CE1-CD2 3.69Å; F304-F314 HydrophobicContact CE1-CE2 4.2Å; F304-F314 AromaticContact CE2-CD2 3.65Å; F304-F314 HydrophobicContact CE2-CD2 3.65Å; F304-F314 HydrophobicContact CE2-CE2 4.13Å; F304-F314 HydrophobicContact CE2-CG 4.19Å; F304-F314 HydrophobicContact CG-CB 3.79Å; F304-F314 AromaticContact CG-CD2 3.93Å; F304-F314 HydrophobicContact CG-CD2 3.93Å; F304-F314 HydrophobicContact CG-CG 4.24Å; F304-F314 AromaticContact CZ-CD2 3.58Å; F304-F314 HydrophobicContact CZ-CD2 3.58Å; F304-F314 AromaticContact CZ-CE2 3.85Å; F304-F314 HydrophobicContact CZ-CE2 3.85Å; F314-P316 HydrophobicContact CE1-CB 4.04Å; F314-P316 HydrophobicContact CE1-CG 4.47Å; F314-P316 HydrophobicContact CZ-CB 4.17Å | ||
| 315 | V | 89.7 | Confident | 90.3 | Very high | 17 Ų | 17 | 59.5 Ų | 59.5 | 10% | 0.103 | 35% | 0.347 | C | S | . | . | trans | -113.4 | 119.7 | 171 | 176.8 | 0 | 0 | 0 | 0 | 108.4 | K232 R279 N312 G313 | K232-V315 HydrophobicContact CD-CG1 3.97Å; K232-V315 VanDerWaalsContact NZ-CG1 3.27Å; R279-V315 VanDerWaalsContact CD-O 3.28Å; R279-V315 WeakPolarHBondContact CD-O 3.29Å; R279-V315 HydrophobicContact CG-CB 3.82Å; R279-V315 HydrophobicContact CG-CG1 4.13Å; R279-V315 PolarHBondContact NH1-O 2.87Å; N312-V315 HydrophobicContact CB-CG2 3.76Å; G313-V315 PolarHBondContact O-N 2.85Å | ||
| 316 | P | 88.8 | Confident | 90.5 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 50% | 0.5 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -72.9 | 153.6 | 177.9 | 28.6 | -34.1 | 0 | 0 | 0 | 112.5 | K232 F314 | K232-P316 PolarHBondContact NZ-O 2.7Å; F314-P316 HydrophobicContact CE1-CB 4.04Å; F314-P316 HydrophobicContact CE1-CG 4.47Å; F314-P316 HydrophobicContact CZ-CB 4.17Å |
| 317 | I | 88.3 | Confident | 90.6 | Very high | 22 Ų | 22 | 53.8 Ų | 53.8 | 11% | 0.113 | 31% | 0.313 | C | S | . | . | P | Polyproline II helix | trans | -99.6 | 131.8 | 169 | -69.8 | 167.5 | 0 | 0 | 0 | 108.2 | K232 D237 R279 H282 A319 A320 | K232-I317 HydrophobicContact CD-CG1 4.36Å; D237-I317 HydrophobicContact CB-CG2 4.4Å; R279-I317 VanDerWaalsContact CZ-CD1 3.41Å; H282-I317 VanDerWaalsContact CE1-CD1 3.45Å; H282-I317 WeakPolarHBondContact CE1-CD1 3.12Å; H282-I317 VanDerWaalsContact ND1-CD1 3.26Å; H282-I317 WeakPolarHBondContact ND1-CD1 3.41Å; I317-A319 PolarHBondContact O-N 3.5Å; I317-A320 HydrophobicContact CG2-CB 3.91Å |
| 318 | P | 82.8 | Confident | 90.6 | Very high | 84 Ų | 84 | 58.9 Ų | 58.9 | 55% | 0.545 | 34% | 0.337 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 131.5 | 173.2 | -21.8 | 34 | 0 | 0 | 0 | 111.4 | A320 | P318-A320 VanDerWaalsContact C-N 3.28Å; P318-A320 PolarHBondContact O-N 2.84Å |
| 319 | A | 80.6 | Confident | 90.7 | Very high | 119 Ų | 119 | 54.6 Ų | 54.6 | 98% | 0.983 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 61.1 | 19.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 117.4 | I317 | I317-A319 PolarHBondContact O-N 3.5Š|
| 320 | A | 84.4 | Confident | 90.7 | Very high | 35 Ų | 35 | 55.5 Ų | 55.5 | 29% | 0.289 | 32% | 0.318 | S | S | . | . | trans | -134.7 | 138.8 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111 | I317 P318 M325 | I317-A320 HydrophobicContact CG2-CB 3.91Å; P318-A320 VanDerWaalsContact C-N 3.28Å; P318-A320 PolarHBondContact O-N 2.84Å; A320-M325 HydrophobicContact CB-CG 4.47Å | ||
| 321 | Q | 90.4 | Very high | 90.8 | Very high | 107 Ų | 107 | 60.6 Ų | 60.6 | 50% | 0.5 | 34% | 0.341 | S | S | . | . | trans | -102.7 | 125.8 | 177.2 | -63.6 | -162.4 | -145.3 | 0 | 0 | 110.9 | D323 E324 M325 | Q321-D323 WeakPolarHBondContact CB-OD1 3.19Å; Q321-D323 PolarHBondContact O-N 2.82Å; Q321-E324 HydrophobicContact CB-CB 4.25Å; Q321-E324 HydrophobicContact CB-CG 4.01Å; Q321-E324 PolarHBondContact O-N 3.48Å; Q321-M325 WeakPolarHBondContact O-CG 3.32Å; Q321-M325 PolarHBondContact O-N 3.04Å; Q321-M325 VanDerWaalsContact O-N 3.08Å | ||
| 322 | D | 93.1 | Very high | 91 | Very high | 11 Ų | 11 | 57.7 Ų | 57.7 | 6% | 0.059 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.5 | -26.3 | -173 | -75.8 | -47.8 | 0 | 0 | 0 | 113.2 | R279 Y286 A289 F326 | R279-D322 IonicContact CZ-OD1 3.37Å; R279-D322 IonicContact CZ-OD2 2.65Å; R279-D322 IonicContact NH1-OD1 3.96Å; R279-D322 PolarHBondContact NH1-OD1 3.33Å; R279-D322 IonicContact NH1-OD2 3.41Å; R279-D322 PolarHBondContact NH1-OD2 3.39Å; R279-D322 IonicContact NH2-OD1 2.86Å; R279-D322 PolarHBondContact NH2-OD1 2.89Å; R279-D322 IonicContact NH2-OD2 3.82Å; R279-D322 PolarHBondContact NH2-OD2 3.33Å; Y286-D322 WeakPolarHBondContact CA-O 3.23Å; Y286-D322 HydrophobicContact CD1-CB 3.96Å; Y286-D322 WeakPolarHBondContact CD1-O 3.46Å; Y286-D322 VanDerWaalsContact CD1-OD1 3.27Å; Y286-D322 WeakPolarHBondContact CD1-OD1 2.96Å; Y286-D322 VanDerWaalsContact CE1-OD1 3.22Å; Y286-D322 WeakPolarHBondContact CE1-OD1 3.22Å; A289-D322 HydrophobicContact CB-CB 3.74Å; D322-F326 PolarHBondContact O-N 2.93Å |
| 323 | D | 93 | Very high | 91.3 | Very high | 77 Ų | 77 | 55.4 Ų | 55.4 | 41% | 0.412 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -79.5 | -39.2 | 176.6 | 56 | -35.9 | 0 | 0 | 0 | 113.7 | A289 Q321 F326 Q327 | A289-D323 HydrophobicContact CB-CB 4.14Å; Q321-D323 WeakPolarHBondContact CB-OD1 3.19Å; Q321-D323 PolarHBondContact O-N 2.82Å; D323-F326 PolarHBondContact O-N 3.46Å; D323-Q327 PolarHBondContact O-N 3.14Å |
| 324 | E | 93.8 | Very high | 91.5 | Very high | 106 Ų | 106 | 57.5 Ų | 57.5 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -64.1 | -48.1 | 172.5 | -64 | -174.9 | 135.4 | 0 | 0 | 110.7 | Q321 F326 Q327 E328 | Q321-E324 HydrophobicContact CB-CB 4.25Å; Q321-E324 HydrophobicContact CB-CG 4.01Å; Q321-E324 PolarHBondContact O-N 3.48Å; E324-F326 VanDerWaalsContact C-N 3.26Å; E324-F326 PolarHBondContact O-N 2.72Å; E324-Q327 PolarHBondContact O-N 2.97Å; E324-E328 PolarHBondContact O-N 2.8Å |
| 325 | M | 93.5 | Very high | 91.5 | Very high | 42 Ų | 42 | 54.5 Ų | 54.5 | 21% | 0.207 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.6 | -30.4 | 178.6 | -61 | -73.5 | 93.6 | 0 | 0 | 112.8 | Y286 A320 Q321 E328 T329 | Y286-M325 HydrophobicContact CD1-CB 3.92Å; Y286-M325 HydrophobicContact CD2-CB 4.21Å; Y286-M325 HydrophobicContact CE1-CB 3.44Å; Y286-M325 VanDerWaalsContact CE1-CB 3.44Å; Y286-M325 HydrophobicContact CE1-CG 3.97Å; Y286-M325 HydrophobicContact CE2-CB 3.78Å; Y286-M325 HydrophobicContact CG-CB 4.28Å; A320-M325 HydrophobicContact CB-CG 4.47Å; Q321-M325 WeakPolarHBondContact O-CG 3.32Å; Q321-M325 PolarHBondContact O-N 3.04Å; Q321-M325 VanDerWaalsContact O-N 3.08Å; M325-E328 VanDerWaalsContact CE-CD 3.44Å; M325-E328 HydrophobicContact CE-CG 4.41Å; M325-E328 WeakPolarHBondContact CE-OE1 3.37Å; M325-E328 VanDerWaalsContact CE-OE2 3.29Å; M325-E328 WeakPolarHBondContact CE-OE2 2.98Å; M325-T329 WeakPolarHBondContact O-CB 2.94Å; M325-T329 PolarHBondContact O-N 3.45Å; M325-T329 PolarHBondContact O-OG1 2.81Å |
| 326 | F | 95.2 | Very high | 91.7 | Very high | 11 Ų | 11 | 53.7 Ų | 53.7 | 5% | 0.048 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -47 | 170.8 | -176.2 | -106.4 | 0 | 0 | 0 | 111.7 | Y286 M287 G290 M295 D322 D323 E324 T329 V330 L347 | Y286-F326 VanDerWaalsContact C-CD2 3.49Å; Y286-F326 WeakPolarHBondContact O-CB 3.41Å; Y286-F326 WeakPolarHBondContact O-CD2 3.42Å; Y286-F326 WeakPolarHBondContact O-CG 3Å; M287-F326 HydrophobicContact CB-CE2 4.25Å; G290-F326 WeakPolarHBondContact O-CD1 3.35Å; G290-F326 WeakPolarHBondContact O-CE1 2.95Å; M295-F326 HydrophobicContact SD-CE1 4.39Å; M295-F326 HydrophobicContact SD-CZ 4Å; D322-F326 PolarHBondContact O-N 2.93Å; D323-F326 PolarHBondContact O-N 3.46Å; E324-F326 VanDerWaalsContact C-N 3.26Å; E324-F326 PolarHBondContact O-N 2.72Å; F326-T329 PolarHBondContact O-N 2.96Å; F326-V330 HydrophobicContact CD1-CG2 4.36Å; F326-V330 HydrophobicContact CE1-CG2 4.04Å; F326-V330 HydrophobicContact CE2-CG2 4.3Å; F326-V330 HydrophobicContact CZ-CG2 4.01Å; F326-V330 WeakPolarHBondContact O-CG2 3.37Å; F326-V330 PolarHBondContact O-N 3.38Å; F326-L347 HydrophobicContact CE2-CD1 4.29Å; F326-L347 HydrophobicContact CE2-CD2 4.02Å; F326-L347 HydrophobicContact CZ-CD1 3.98Å |
| 327 | Q | 94.5 | Very high | 91.8 | Very high | 85 Ų | 85 | 52 Ų | 52 | 40% | 0.397 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -68.8 | -35.6 | -178.6 | -174.5 | 53.7 | 85.9 | 0 | 0 | 111.9 | D323 E324 E331 | D323-Q327 PolarHBondContact O-N 3.14Å; E324-Q327 PolarHBondContact O-N 2.97Å; Q327-E331 PolarHBondContact O-N 3.11Å |
| 328 | E | 93.8 | Very high | 92.2 | Very high | 112 Ų | 112 | 51.3 Ų | 51.3 | 52% | 0.523 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -62.3 | -46.1 | 168.9 | -71.4 | -171.7 | -174.3 | 0 | 0 | 112 | E324 M325 V330 E331 A332 | E324-E328 PolarHBondContact O-N 2.8Å; M325-E328 VanDerWaalsContact CE-CD 3.44Å; M325-E328 HydrophobicContact CE-CG 4.41Å; M325-E328 WeakPolarHBondContact CE-OE1 3.37Å; M325-E328 VanDerWaalsContact CE-OE2 3.29Å; M325-E328 WeakPolarHBondContact CE-OE2 2.98Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-V330 PolarHBondContact O-N 2.99Å; E328-E331 PolarHBondContact O-N 2.6Å; E328-A332 WeakPolarHBondContact O-CB 3.12Å; E328-A332 PolarHBondContact O-N 3.28Å |
| 329 | T | 95 | Very high | 92.7 | Very high | 6 Ų | 6 | 49.8 Ų | 49.8 | 4% | 0.037 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.8 | -38.1 | 179.9 | -56.1 | 0 | 0 | 0 | 0 | 111.8 | A227 M325 F326 M333 | A227-T329 HydrophobicContact CB-CG2 3.58Å; M325-T329 WeakPolarHBondContact O-CB 2.94Å; M325-T329 PolarHBondContact O-N 3.45Å; M325-T329 PolarHBondContact O-OG1 2.81Å; F326-T329 PolarHBondContact O-N 2.96Å; T329-M333 HydrophobicContact CG2-CE 3.85Å; T329-M333 PolarHBondContact O-N 3.45Å |
| 330 | V | 94.8 | Very high | 93.3 | Very high | 31 Ų | 31 | 52.2 Ų | 52.2 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -69.4 | -40.6 | 175.5 | 169.8 | 0 | 0 | 0 | 0 | 111.6 | F326 E328 M333 A334 | F326-V330 HydrophobicContact CD1-CG2 4.36Å; F326-V330 HydrophobicContact CE1-CG2 4.04Å; F326-V330 HydrophobicContact CE2-CG2 4.3Å; F326-V330 HydrophobicContact CZ-CG2 4.01Å; F326-V330 WeakPolarHBondContact O-CG2 3.37Å; F326-V330 PolarHBondContact O-N 3.38Å; E328-V330 VanDerWaalsContact C-N 3.31Å; E328-V330 PolarHBondContact O-N 2.99Å; V330-M333 PolarHBondContact O-N 2.81Å; V330-A334 PolarHBondContact O-N 2.77Å |
| 331 | E | 94.4 | Very high | 93.6 | Very high | 114 Ų | 114 | 57.7 Ų | 57.7 | 53% | 0.533 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 173.7 | -168.6 | -178.3 | 153.3 | 0 | 0 | 111.5 | Q327 E328 M333 A334 I335 | Q327-E331 PolarHBondContact O-N 3.11Å; E328-E331 PolarHBondContact O-N 2.6Å; E331-M333 PolarHBondContact O-N 2.64Å; E331-A334 PolarHBondContact O-N 2.69Å; E331-I335 HydrophobicContact CG-CD1 3.89Å; E331-I335 HydrophobicContact CG-CG1 4.46Å; E331-I335 WeakPolarHBondContact O-CG1 3.22Å; E331-I335 PolarHBondContact O-N 2.72Å |
| 332 | A | 94.6 | Very high | 93.8 | Very high | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q220 P223 I224 E328 A334 I335 M336 | Q220-A332 HydrophobicContact CB-CB 4.17Å; Q220-A332 VanDerWaalsContact OE1-CB 3.26Å; P223-A332 HydrophobicContact CB-CB 4.24Å; I224-A332 HydrophobicContact CD1-CB 4.22Å; I224-A332 HydrophobicContact CG1-CB 3.76Å; E328-A332 WeakPolarHBondContact O-CB 3.12Å; E328-A332 PolarHBondContact O-N 3.28Å; A332-A334 PolarHBondContact O-N 2.7Å; A332-I335 PolarHBondContact O-N 3.3Å; A332-M336 WeakPolarHBondContact O-CB 3.16Å; A332-M336 WeakPolarHBondContact O-CG 3.49Å; A332-M336 PolarHBondContact O-N 2.67Å |
| 333 | M | 95.3 | Very high | 93.8 | Very high | 3 Ų | 3 | 55 Ų | 55 | 2% | 0.015 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -58.8 | -42.9 | 173.8 | -81.5 | -167.9 | -104.6 | 0 | 0 | 112.5 | I224 F228 T329 V330 E331 M336 G337 F338 Q343 I346 | I224-M333 HydrophobicContact CD1-CB 4.49Å; I224-M333 HydrophobicContact CD1-CG 3.92Å; I224-M333 HydrophobicContact CG1-CG 4.02Å; I224-M333 HydrophobicContact CG2-CG 4.3Å; F228-M333 HydrophobicContact CE2-CE 4.11Å; F228-M333 HydrophobicContact CZ-CE 4.45Å; T329-M333 HydrophobicContact CG2-CE 3.85Å; T329-M333 PolarHBondContact O-N 3.45Å; V330-M333 PolarHBondContact O-N 2.81Å; E331-M333 PolarHBondContact O-N 2.64Å; M333-M336 CarbonylContact O-C 3.42Å; M333-M336 PolarHBondContact O-N 2.67Å; M333-G337 PolarHBondContact O-N 2.69Å; M333-F338 HydrophobicContact CB-CB 4.14Å; M333-F338 HydrophobicContact CB-CD2 4.47Å; M333-F338 HydrophobicContact CB-CG 4.25Å; M333-F338 HydrophobicContact CG-CD2 4.16Å; M333-F338 HydrophobicContact CG-CE2 4.48Å; M333-F338 HydrophobicContact CG-CG 4.37Å; M333-F338 WeakPolarHBondContact O-CB 3.07Å; M333-F338 PolarHBondContact O-N 2.67Å; M333-F338 HydrophobicContact SD-CD2 4.06Å; M333-F338 HydrophobicContact SD-CE2 4.43Å; M333-Q343 HydrophobicContact CB-CG 4.18Å; M333-Q343 HydrophobicContact SD-CG 4.15Å; M333-I346 HydrophobicContact SD-CD1 4.2Å |
| 334 | A | 94.6 | Very high | 93.8 | Very high | 55 Ų | 55 | 54 Ų | 54 | 46% | 0.455 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | V330 E331 A332 M336 G337 | V330-A334 PolarHBondContact O-N 2.77Å; E331-A334 PolarHBondContact O-N 2.69Å; A332-A334 PolarHBondContact O-N 2.7Å; A334-M336 VanDerWaalsContact C-N 3.32Å; A334-M336 PolarHBondContact O-N 2.68Å; A334-G337 WeakPolarHBondContact O-CA 3.28Å; A334-G337 PolarHBondContact O-N 3.49Å |
| 335 | I | 92.1 | Very high | 93.9 | Very high | 30 Ų | 30 | 49.5 Ų | 49.5 | 15% | 0.154 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.5 | -34.8 | 175.5 | -66.4 | 159.8 | 0 | 0 | 0 | 111.4 | K216 Q217 Q220 E331 A332 G337 | K216-I335 HydrophobicContact CD-CG2 3.91Å; K216-I335 HydrophobicContact CG-CG2 4.07Å; Q217-I335 HydrophobicContact CG-CG2 4.25Å; Q217-I335 WeakPolarHBondContact CG-O 3.45Å; Q217-I335 PolarHBondContact NE2-O 3.28Å; Q220-I335 HydrophobicContact CB-CG2 4.28Å; Q220-I335 HydrophobicContact CG-CB 4.24Å; Q220-I335 HydrophobicContact CG-CD1 3.96Å; Q220-I335 HydrophobicContact CG-CG2 3.9Å; E331-I335 HydrophobicContact CG-CD1 3.89Å; E331-I335 HydrophobicContact CG-CG1 4.46Å; E331-I335 WeakPolarHBondContact O-CG1 3.22Å; E331-I335 PolarHBondContact O-N 2.72Å; A332-I335 PolarHBondContact O-N 3.3Å; I335-G337 PolarHBondContact O-N 2.78Å |
| 336 | M | 92.3 | Very high | 94 | Very high | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.005 | 25% | 0.254 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -73 | -0.3 | 170.5 | -70.1 | -56.9 | -64.1 | 0 | 0 | 113.8 | Q217 Q220 A221 I224 A332 M333 A334 F338 V440 A443 L444 | Q217-M336 VanDerWaalsContact CA-SD 3.59Å; Q217-M336 HydrophobicContact CB-CE 4.41Å; Q217-M336 HydrophobicContact CB-SD 3.52Å; Q217-M336 VanDerWaalsContact CB-SD 3.52Å; Q217-M336 HydrophobicContact CG-SD 3.81Å; Q220-M336 HydrophobicContact CB-CG 4.47Å; A221-M336 HydrophobicContact CB-CE 4.42Å; A221-M336 HydrophobicContact CB-SD 4.43Å; I224-M336 HydrophobicContact CD1-CB 3.98Å; I224-M336 HydrophobicContact CD1-CG 3.47Å; I224-M336 VanDerWaalsContact CD1-CG 3.47Å; A332-M336 WeakPolarHBondContact O-CB 3.16Å; A332-M336 WeakPolarHBondContact O-CG 3.49Å; A332-M336 PolarHBondContact O-N 2.67Å; M333-M336 CarbonylContact O-C 3.42Å; M333-M336 PolarHBondContact O-N 2.67Å; A334-M336 VanDerWaalsContact C-N 3.32Å; A334-M336 PolarHBondContact O-N 2.68Å; M336-F338 HydrophobicContact CB-CD1 3.84Å; M336-F338 HydrophobicContact CB-CE1 3.92Å; M336-V440 HydrophobicContact CE-CB 4.24Å; M336-V440 HydrophobicContact CE-CG1 3.96Å; M336-V440 HydrophobicContact CE-CG2 4.22Å; M336-A443 HydrophobicContact CE-CB 3.82Å; M336-L444 HydrophobicContact CE-CD2 4.11Å; M336-L444 HydrophobicContact CE-CG 4.11Å |
| 337 | G | 92.3 | Very high | 94 | Very high | 42 Ų | 42 | 47.1 Ų | 47.1 | 43% | 0.433 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 73.1 | 30.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 114 | M333 A334 I335 R439 | M333-G337 PolarHBondContact O-N 2.69Å; A334-G337 WeakPolarHBondContact O-CA 3.28Å; A334-G337 PolarHBondContact O-N 3.49Å; I335-G337 PolarHBondContact O-N 2.78Å; G337-R439 PolarHBondContact O-NH2 2.76Å |
| 338 | F | 95 | Very high | 94 | Very high | 6 Ų | 6 | 45.7 Ų | 45.7 | 3% | 0.026 | 25% | 0.245 | C | C | . | . | trans | -78.7 | 129.6 | 167.4 | -72.2 | 47.1 | 0 | 0 | 0 | 108.5 | M333 M336 E342 Q343 I346 W435 I436 R439 V440 | M333-F338 HydrophobicContact CB-CB 4.14Å; M333-F338 HydrophobicContact CB-CD2 4.47Å; M333-F338 HydrophobicContact CB-CG 4.25Å; M333-F338 HydrophobicContact CG-CD2 4.16Å; M333-F338 HydrophobicContact CG-CE2 4.48Å; M333-F338 HydrophobicContact CG-CG 4.37Å; M333-F338 WeakPolarHBondContact O-CB 3.07Å; M333-F338 PolarHBondContact O-N 2.67Å; M333-F338 HydrophobicContact SD-CD2 4.06Å; M333-F338 HydrophobicContact SD-CE2 4.43Å; M336-F338 HydrophobicContact CB-CD1 3.84Å; M336-F338 HydrophobicContact CB-CE1 3.92Å; F338-E342 WeakPolarHBondContact CA-OE2 3.06Å; F338-Q343 HydrophobicContact CB-CG 4.12Å; F338-Q343 PolarHBondContact O-NE2 3.19Å; F338-I346 HydrophobicContact CD2-CD1 3.66Å; F338-I346 HydrophobicContact CE2-CD1 3.75Å; F338-W435 HydrophobicContact CD2-CZ3 4.49Å; F338-W435 HydrophobicContact CE2-CZ3 4.02Å; F338-I436 HydrophobicContact CE2-CG2 4.48Å; F338-I436 HydrophobicContact CZ-CG2 4.32Å; F338-R439 HydrophobicContact CD1-CG 4.13Å; F338-R439 HydrophobicContact CD2-CG 4.41Å; F338-R439 HydrophobicContact CE1-CB 4.26Å; F338-R439 HydrophobicContact CE1-CG 3.64Å; F338-R439 HydrophobicContact CE2-CB 4.38Å; F338-R439 HydrophobicContact CE2-CG 3.97Å; F338-R439 HydrophobicContact CG-CG 4.49Å; F338-R439 HydrophobicContact CZ-CB 3.83Å; F338-R439 HydrophobicContact CZ-CG 3.55Å; F338-V440 HydrophobicContact CE1-CG2 4.22Å; F338-V440 HydrophobicContact CZ-CG2 4.11Å | ||
| 339 | S | 94.3 | Very high | 94.1 | Very high | 52 Ų | 52 | 40.4 Ų | 40.4 | 36% | 0.364 | 22% | 0.22 | S | C | . | . | trans | -70 | 160.2 | 178.2 | 81.1 | 0 | 0 | 0 | 0 | 112.2 | E341 E342 Q343 | S339-E341 PolarHBondContact O-N 3.42Å; S339-E341 PolarHBondContact OG-N 2.73Å; S339-E342 PolarHBondContact N-OE2 2.96Å; S339-E342 PolarHBondContact O-N 2.63Å; S339-E342 WeakPolarHBondContact OG-CG 3.2Å; S339-E342 PolarHBondContact OG-N 3.04Å; S339-Q343 WeakPolarHBondContact O-CB 3.36Å; S339-Q343 VanDerWaalsContact O-CG 3.24Å; S339-Q343 WeakPolarHBondContact O-CG 3.05Å; S339-Q343 PolarHBondContact O-N 2.82Å | ||
| 340 | E | 92.3 | Very high | 94.2 | Very high | 170 Ų | 170 | 40.1 Ų | 40.1 | 79% | 0.794 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -59.4 | -29.3 | 174.4 | -61.9 | -173.1 | 168.1 | 0 | 0 | 112.3 | L344 | E340-L344 WeakPolarHBondContact O-CB 3.39Å; E340-L344 PolarHBondContact O-N 3.32Å |
| 341 | E | 91.9 | Very high | 94.2 | Very high | 150 Ų | 150 | 38.6 Ų | 38.6 | 70% | 0.701 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -74.4 | -40.8 | 175.7 | -175.1 | 178.2 | -160.8 | 0 | 0 | 112.3 | S339 S345 | S339-E341 PolarHBondContact O-N 3.42Å; S339-E341 PolarHBondContact OG-N 2.73Å; E341-S345 VanDerWaalsContact O-CB 3.28Å; E341-S345 WeakPolarHBondContact O-CB 3.18Å; E341-S345 PolarHBondContact O-N 3.48Å; E341-S345 PolarHBondContact O-OG 2.96Å |
| 342 | E | 93.3 | Very high | 94.3 | Very high | 40 Ų | 40 | 33.2 Ų | 33.2 | 19% | 0.187 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.6 | -46 | 171.5 | -73.4 | 175.2 | 123.9 | 0 | 0 | 110.2 | F338 S339 S345 I346 W435 R439 | F338-E342 WeakPolarHBondContact CA-OE2 3.06Å; S339-E342 PolarHBondContact N-OE2 2.96Å; S339-E342 PolarHBondContact O-N 2.63Å; S339-E342 WeakPolarHBondContact OG-CG 3.2Å; S339-E342 PolarHBondContact OG-N 3.04Å; E342-S345 PolarHBondContact O-N 2.76Å; E342-I346 WeakPolarHBondContact O-CB 3.42Å; E342-I346 WeakPolarHBondContact O-CD1 3.22Å; E342-I346 WeakPolarHBondContact O-CG1 3.35Å; E342-I346 PolarHBondContact O-N 3.1Å; E342-W435 HydrophobicContact CG-CH2 4.3Å; E342-R439 IonicContact OE1-CZ 2.82Å; E342-R439 IonicContact OE1-NE 3.7Å; E342-R439 PolarHBondContact OE1-NE 2.79Å; E342-R439 IonicContact OE1-NH2 2.66Å; E342-R439 PolarHBondContact OE1-NH2 2.96Å; E342-R439 IonicContact OE2-CZ 3.22Å; E342-R439 IonicContact OE2-NE 3.1Å; E342-R439 IonicContact OE2-NH2 3.66Å; E342-R439 PolarHBondContact OE2-NH2 2.93Å |
| 343 | Q | 94.3 | Very high | 94.4 | Very high | 23 Ų | 23 | 33.2 Ų | 33.2 | 11% | 0.107 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.7 | -47.5 | 177 | -68.5 | 170.1 | 35.7 | 0 | 0 | 111.9 | M333 F338 S339 S345 I346 L347 | M333-Q343 HydrophobicContact CB-CG 4.18Å; M333-Q343 HydrophobicContact SD-CG 4.15Å; F338-Q343 HydrophobicContact CB-CG 4.12Å; F338-Q343 PolarHBondContact O-NE2 3.19Å; S339-Q343 WeakPolarHBondContact O-CB 3.36Å; S339-Q343 VanDerWaalsContact O-CG 3.24Å; S339-Q343 WeakPolarHBondContact O-CG 3.05Å; S339-Q343 PolarHBondContact O-N 2.82Å; Q343-S345 VanDerWaalsContact C-N 3.34Å; Q343-S345 PolarHBondContact O-N 2.88Å; Q343-I346 PolarHBondContact O-N 3.24Å; Q343-L347 WeakPolarHBondContact O-CG 3.37Å; Q343-L347 PolarHBondContact O-N 2.82Å; Q343-L347 VanDerWaalsContact O-N 3.09Å |
| 344 | L | 93.5 | Very high | 94.3 | Very high | 55 Ų | 55 | 33.2 Ų | 33.2 | 29% | 0.288 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -63.8 | -40 | 177.4 | -176.9 | 62.9 | 0 | 0 | 0 | 111.7 | M295 L299 E340 L347 K348 | M295-L344 HydrophobicContact CE-CD1 4.44Å; L299-L344 HydrophobicContact CD2-CD1 4.05Å; L299-L344 HydrophobicContact CG-CD1 4.45Å; E340-L344 WeakPolarHBondContact O-CB 3.39Å; E340-L344 PolarHBondContact O-N 3.32Å; L344-L347 PolarHBondContact O-N 3.1Å; L344-K348 WeakPolarHBondContact O-CG 3.48Å; L344-K348 PolarHBondContact O-N 3.43Å |
| 345 | S | 94.1 | Very high | 94.3 | Very high | 11 Ų | 11 | 30.6 Ų | 30.6 | 8% | 0.077 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -70.3 | -36.2 | -179.8 | -56.1 | 0 | 0 | 0 | 0 | 112.6 | E341 E342 Q343 L347 K348 V349 F614 | E341-S345 VanDerWaalsContact O-CB 3.28Å; E341-S345 WeakPolarHBondContact O-CB 3.18Å; E341-S345 PolarHBondContact O-N 3.48Å; E341-S345 PolarHBondContact O-OG 2.96Å; E342-S345 PolarHBondContact O-N 2.76Å; Q343-S345 VanDerWaalsContact C-N 3.34Å; Q343-S345 PolarHBondContact O-N 2.88Å; S345-L347 VanDerWaalsContact C-N 3.35Å; S345-K348 PolarHBondContact O-N 3.45Å; S345-V349 WeakPolarHBondContact O-CG2 3.41Å; S345-V349 PolarHBondContact O-N 3.49Å; S345-F614 WeakPolarHBondContact O-CE1 3.01Å |
| 346 | I | 96 | Very high | 94.4 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -56.5 | -50 | 167.3 | -71.3 | 161.5 | 0 | 0 | 0 | 110.1 | F228 M333 F338 E342 Q343 K348 V349 V350 L432 W435 I436 F614 | F228-I346 HydrophobicContact CE1-CG2 3.65Å; F228-I346 HydrophobicContact CZ-CG2 3.41Å; F228-I346 VanDerWaalsContact CZ-CG2 3.41Å; M333-I346 HydrophobicContact SD-CD1 4.2Å; F338-I346 HydrophobicContact CD2-CD1 3.66Å; F338-I346 HydrophobicContact CE2-CD1 3.75Å; E342-I346 WeakPolarHBondContact O-CB 3.42Å; E342-I346 WeakPolarHBondContact O-CD1 3.22Å; E342-I346 WeakPolarHBondContact O-CG1 3.35Å; E342-I346 PolarHBondContact O-N 3.1Å; Q343-I346 PolarHBondContact O-N 3.24Å; I346-K348 PolarHBondContact O-N 3.3Å; I346-V349 PolarHBondContact O-N 3.46Å; I346-V349 VanDerWaalsContact O-N 3.15Å; I346-V350 WeakPolarHBondContact O-CG2 3.25Å; I346-V350 PolarHBondContact O-N 3.15Å; I346-L432 HydrophobicContact CB-CD1 4.46Å; I346-L432 HydrophobicContact CG1-CD1 4.18Å; I346-L432 HydrophobicContact CG2-CD1 4.29Å; I346-L432 HydrophobicContact CG2-CD2 4.47Å; I346-W435 HydrophobicContact CD1-CZ3 4.04Å; I346-W435 HydrophobicContact CG1-CZ3 4.41Å; I346-I436 HydrophobicContact CD1-CG1 4.38Å; I346-I436 HydrophobicContact CG2-CD1 4.17Å; I346-F614 HydrophobicContact CB-CZ 4.49Å; I346-F614 HydrophobicContact CG1-CE1 4.26Å; I346-F614 HydrophobicContact CG1-CE2 4.3Å; I346-F614 HydrophobicContact CG1-CZ 3.61Å |
| 347 | L | 95.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 2% | 0.021 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -67.8 | -32.4 | -178.2 | -65.8 | 171.7 | 0 | 0 | 0 | 113.2 | I283 M287 M295 L299 F326 Q343 L344 S345 V349 V350 S351 | I283-L347 HydrophobicContact CD1-CD2 4.33Å; M287-L347 HydrophobicContact CB-CD2 4.46Å; M287-L347 HydrophobicContact CG-CD2 4.18Å; M287-L347 HydrophobicContact SD-CB 4.28Å; M287-L347 HydrophobicContact SD-CD2 3.98Å; M295-L347 HydrophobicContact CE-CD1 3.91Å; M295-L347 HydrophobicContact SD-CD1 3.82Å; L299-L347 HydrophobicContact CD1-CB 3.72Å; L299-L347 HydrophobicContact CD1-CD1 4.47Å; L299-L347 HydrophobicContact CD2-CB 4.07Å; F326-L347 HydrophobicContact CE2-CD1 4.29Å; F326-L347 HydrophobicContact CE2-CD2 4.02Å; F326-L347 HydrophobicContact CZ-CD1 3.98Å; Q343-L347 WeakPolarHBondContact O-CG 3.37Å; Q343-L347 PolarHBondContact O-N 2.82Å; Q343-L347 VanDerWaalsContact O-N 3.09Å; L344-L347 PolarHBondContact O-N 3.1Å; S345-L347 VanDerWaalsContact C-N 3.35Å; L347-V349 VanDerWaalsContact C-N 3.31Å; L347-V349 PolarHBondContact O-N 3.48Å; L347-V350 PolarHBondContact O-N 3.49Å; L347-S351 WeakPolarHBondContact O-CB 3.46Å; L347-S351 PolarHBondContact O-N 3.23Å |
| 348 | K | 95.2 | Very high | 94.6 | Very high | 54 Ų | 54 | 29.4 Ų | 29.4 | 24% | 0.235 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -57.1 | -44.8 | 169.4 | -73.1 | 176.5 | -174.4 | 163.7 | 0 | 111.4 | L299 L344 S345 I346 S351 S352 L384 D612 | L299-K348 HydrophobicContact CD2-CB 4.28Å; L299-K348 HydrophobicContact CD2-CG 3.85Å; L344-K348 WeakPolarHBondContact O-CG 3.48Å; L344-K348 PolarHBondContact O-N 3.43Å; S345-K348 PolarHBondContact O-N 3.45Å; I346-K348 PolarHBondContact O-N 3.3Å; K348-S351 PolarHBondContact O-N 2.92Å; K348-S352 PolarHBondContact O-N 3.32Å; K348-L384 HydrophobicContact CG-CD2 4.38Å; K348-D612 IonicContact NZ-OD2 2.67Å; K348-D612 PolarHBondContact NZ-OD2 3.38Å |
| 349 | V | 96 | Very high | 94.5 | Very high | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -71.2 | -35 | -179.5 | 178.7 | 0 | 0 | 0 | 0 | 111.4 | S345 I346 L347 S352 V353 M385 T428 L432 F614 V615 L618 | S345-V349 WeakPolarHBondContact O-CG2 3.41Å; S345-V349 PolarHBondContact O-N 3.49Å; I346-V349 PolarHBondContact O-N 3.46Å; I346-V349 VanDerWaalsContact O-N 3.15Å; L347-V349 VanDerWaalsContact C-N 3.31Å; L347-V349 PolarHBondContact O-N 3.48Å; V349-S352 PolarHBondContact O-OG 3.42Å; V349-V353 WeakPolarHBondContact O-CG2 3.26Å; V349-V353 PolarHBondContact O-N 3.13Å; V349-V353 VanDerWaalsContact O-N 3.1Å; V349-M385 HydrophobicContact CG2-SD 4.16Å; V349-T428 HydrophobicContact CG1-CG2 3.5Å; V349-L432 HydrophobicContact CB-CD1 4.49Å; V349-L432 HydrophobicContact CB-CD2 4.25Å; V349-L432 HydrophobicContact CG1-CB 4.37Å; V349-L432 HydrophobicContact CG1-CD1 4.44Å; V349-L432 HydrophobicContact CG1-CD2 3.99Å; V349-F614 HydrophobicContact CB-CE1 4.46Å; V349-F614 HydrophobicContact CG2-CD1 3.87Å; V349-F614 HydrophobicContact CG2-CE1 3.78Å; V349-V615 HydrophobicContact CG2-CG2 4.36Å; V349-L618 HydrophobicContact CG1-CD1 4.25Å; V349-L618 HydrophobicContact CG2-CD1 4.08Å |
| 350 | V | 96.1 | Very high | 94.4 | Very high | 0 Ų | 0 | 31.8 Ų | 31.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.6 | -41.5 | 170.7 | -178.2 | 0 | 0 | 0 | 0 | 111.3 | F228 I283 F284 M287 I346 L347 V353 L354 L432 | F228-V350 HydrophobicContact CE1-CG2 3.7Å; F228-V350 HydrophobicContact CZ-CG2 4.47Å; I283-V350 HydrophobicContact CG1-CG1 4.4Å; I283-V350 HydrophobicContact CG1-CG2 4.37Å; I283-V350 HydrophobicContact CG2-CG1 4.42Å; F284-V350 HydrophobicContact CD1-CG1 3.44Å; F284-V350 VanDerWaalsContact CD1-CG1 3.44Å; F284-V350 HydrophobicContact CE1-CG1 3.54Å; F284-V350 HydrophobicContact CG-CG1 4.32Å; F284-V350 HydrophobicContact CZ-CG1 4.46Å; M287-V350 HydrophobicContact CE-CB 4.12Å; M287-V350 HydrophobicContact CE-CG1 3.58Å; M287-V350 HydrophobicContact SD-CB 4.11Å; M287-V350 HydrophobicContact SD-CG1 4.05Å; I346-V350 WeakPolarHBondContact O-CG2 3.25Å; I346-V350 PolarHBondContact O-N 3.15Å; L347-V350 PolarHBondContact O-N 3.49Å; V350-V353 PolarHBondContact O-N 2.78Å; V350-L354 PolarHBondContact O-N 3Å; V350-L432 HydrophobicContact CG2-CD2 3.72Å |
| 351 | S | 96 | Very high | 94.5 | Very high | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -65.9 | -41.6 | 176.4 | -173.4 | 0 | 0 | 0 | 0 | 112.2 | L299 L301 L347 K348 V353 L354 Q355 | L299-S351 WeakPolarHBondContact O-CB 3.48Å; L299-S351 PolarHBondContact O-OG 3.34Å; L301-S351 WeakPolarHBondContact CD2-OG 3.25Å; L347-S351 WeakPolarHBondContact O-CB 3.46Å; L347-S351 PolarHBondContact O-N 3.23Å; K348-S351 PolarHBondContact O-N 2.92Å; S351-V353 VanDerWaalsContact C-N 3.3Å; S351-V353 PolarHBondContact O-N 3.3Å; S351-L354 WeakPolarHBondContact O-CB 3.46Å; S351-L354 PolarHBondContact O-N 3.49Å; S351-L354 VanDerWaalsContact O-N 3.14Å; S351-Q355 WeakPolarHBondContact O-CG 3.49Å; S351-Q355 PolarHBondContact O-N 3.05Å |
| 352 | S | 95.5 | Very high | 94.4 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 1% | 0.007 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -65 | -36.2 | 178.2 | 74.8 | 0 | 0 | 0 | 0 | 111.8 | K348 V349 L354 Q355 L356 M385 | K348-S352 PolarHBondContact O-N 3.32Å; V349-S352 PolarHBondContact O-OG 3.42Å; S352-L354 PolarHBondContact O-N 3.36Å; S352-Q355 PolarHBondContact O-N 3.41Å; S352-L356 WeakPolarHBondContact O-CG 3.33Å; S352-L356 PolarHBondContact O-N 2.97Å; S352-M385 PolarHBondContact OG-SD 2.86Å |
| 353 | V | 95.8 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.1 | -40.9 | 172.6 | 169.6 | 0 | 0 | 0 | 0 | 111.6 | F284 F309 V349 V350 S351 A425 T428 Y429 | F284-V353 HydrophobicContact CE1-CB 4.28Å; F284-V353 HydrophobicContact CE1-CG1 3.94Å; F284-V353 HydrophobicContact CZ-CB 4.48Å; F284-V353 HydrophobicContact CZ-CG1 3.76Å; F309-V353 WeakPolarHBondContact CD2-O 3.48Å; F309-V353 WeakPolarHBondContact CE2-O 3.47Å; V349-V353 WeakPolarHBondContact O-CG2 3.26Å; V349-V353 PolarHBondContact O-N 3.13Å; V349-V353 VanDerWaalsContact O-N 3.1Å; V350-V353 PolarHBondContact O-N 2.78Å; S351-V353 VanDerWaalsContact C-N 3.3Å; S351-V353 PolarHBondContact O-N 3.3Å; V353-A425 HydrophobicContact CG1-CB 4.41Å; V353-T428 HydrophobicContact CG2-CG2 3.7Å; V353-Y429 HydrophobicContact CG1-CD2 4.43Å |
| 354 | L | 94.5 | Very high | 93.8 | Very high | 2 Ų | 2 | 28.4 Ų | 28.4 | 1% | 0.01 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 172.8 | -73.1 | 173.7 | 0 | 0 | 0 | 112.6 | F284 M287 I288 Y307 L310 V350 S351 S352 L356 G357 | F284-L354 HydrophobicContact CB-CD2 4.39Å; F284-L354 HydrophobicContact CD1-CD1 3.89Å; F284-L354 HydrophobicContact CD1-CD2 3.55Å; F284-L354 HydrophobicContact CD1-CG 3.5Å; F284-L354 VanDerWaalsContact CD1-CG 3.5Å; F284-L354 HydrophobicContact CE1-CD2 4.02Å; F284-L354 HydrophobicContact CE1-CG 3.86Å; F284-L354 HydrophobicContact CG-CD2 4.16Å; M287-L354 HydrophobicContact CE-CD1 3.68Å; I288-L354 HydrophobicContact CD1-CD1 3.95Å; I288-L354 HydrophobicContact CG1-CD1 4.33Å; Y307-L354 HydrophobicContact CD1-CB 3.64Å; Y307-L354 HydrophobicContact CD1-CD1 4.43Å; Y307-L354 HydrophobicContact CD1-CG 4.43Å; Y307-L354 HydrophobicContact CE1-CB 3.74Å; Y307-L354 HydrophobicContact CE1-CD1 4.14Å; Y307-L354 HydrophobicContact CE2-CD1 4.35Å; Y307-L354 HydrophobicContact CG-CB 4.3Å; Y307-L354 HydrophobicContact CG-CD2 4.37Å; L310-L354 HydrophobicContact CD2-CD2 4.16Å; L310-L354 HydrophobicContact CG-CD2 4.19Å; V350-L354 PolarHBondContact O-N 3Å; S351-L354 WeakPolarHBondContact O-CB 3.46Å; S351-L354 PolarHBondContact O-N 3.49Å; S351-L354 VanDerWaalsContact O-N 3.14Å; S352-L354 PolarHBondContact O-N 3.36Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 2.69Å; L354-G357 PolarHBondContact O-N 2.86Å |
| 355 | Q | 94.6 | Very high | 93.3 | Very high | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -71.1 | -22.6 | -176.6 | -68 | -70.7 | 6.8 | 0 | 0 | 113.1 | L300 Y307 S351 S352 G357 N358 K380 V381 | L300-Q355 PolarHBondContact O-NE2 3.33Å; Y307-Q355 HydrophobicContact CE1-CG 4.46Å; S351-Q355 WeakPolarHBondContact O-CG 3.49Å; S351-Q355 PolarHBondContact O-N 3.05Å; S352-Q355 PolarHBondContact O-N 3.41Å; Q355-G357 VanDerWaalsContact C-N 3.25Å; Q355-G357 PolarHBondContact O-N 2.98Å; Q355-N358 PolarHBondContact O-N 3.31Å; Q355-N358 VanDerWaalsContact O-N 3.15Å; Q355-N358 PolarHBondContact OE1-ND2 3.49Å; Q355-N358 VanDerWaalsContact OE1-ND2 3.14Å; Q355-K380 HydrophobicContact CG-CB 4.46Å; Q355-V381 VanDerWaalsContact C-CG2 3.47Å; Q355-V381 HydrophobicContact CB-CG2 3.65Å |
| 356 | L | 94.5 | Very high | 92.7 | Very high | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -56.9 | -39.1 | 170.1 | -83.5 | 171.6 | 0 | 0 | 0 | 111.7 | F309 S352 L354 N358 I359 V381 F392 V421 L424 A425 | F309-L356 HydrophobicContact CE2-CB 4.02Å; S352-L356 WeakPolarHBondContact O-CG 3.33Å; S352-L356 PolarHBondContact O-N 2.97Å; L354-L356 VanDerWaalsContact C-N 3.31Å; L354-L356 PolarHBondContact O-N 2.69Å; L356-N358 PolarHBondContact O-N 2.89Å; L356-I359 HydrophobicContact CD2-CD1 3.9Å; L356-I359 WeakPolarHBondContact O-CB 3.46Å; L356-I359 WeakPolarHBondContact O-CG1 3.46Å; L356-I359 PolarHBondContact O-N 3.4Å; L356-V381 HydrophobicContact CD2-CG1 3.75Å; L356-V381 HydrophobicContact CD2-CG2 4.21Å; L356-V381 HydrophobicContact CG-CG1 4.03Å; L356-V381 HydrophobicContact CG-CG2 4.11Å; L356-F392 HydrophobicContact CD2-CZ 4.06Å; L356-V421 HydrophobicContact CB-CG1 4.12Å; L356-V421 HydrophobicContact CD2-CG1 4.18Å; L356-V421 VanDerWaalsContact O-CG1 3.24Å; L356-V421 WeakPolarHBondContact O-CG1 2.96Å; L356-L424 HydrophobicContact CD1-CD2 4.17Å; L356-L424 HydrophobicContact CD1-CG 4.11Å; L356-L424 HydrophobicContact CD2-CD2 3.91Å; L356-A425 HydrophobicContact CB-CB 4.44Å; L356-A425 HydrophobicContact CD1-CB 3.93Å |
| 357 | G | 92.5 | Very high | 92.2 | Very high | 11 Ų | 11 | 47.2 Ų | 47.2 | 11% | 0.113 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | -19.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | T308 F309 L354 Q355 I359 | T308-G357 VanDerWaalsContact CB-O 3.28Å; T308-G357 WeakPolarHBondContact CB-O 3.49Å; F309-G357 VanDerWaalsContact CE1-CA 3.48Å; F309-G357 VanDerWaalsContact CE2-CA 3.43Å; L354-G357 PolarHBondContact O-N 2.86Å; Q355-G357 VanDerWaalsContact C-N 3.25Å; Q355-G357 PolarHBondContact O-N 2.98Å; G357-I359 VanDerWaalsContact C-N 3.3Å |
| 358 | N | 94.5 | Very high | 91.7 | Very high | 33 Ų | 33 | 51 Ų | 51 | 18% | 0.176 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | 3.3 | 179.4 | -68.6 | -18.1 | 0 | 0 | 0 | 113.5 | N306 Y307 T308 Q355 L356 V360 A377 | N306-N358 PolarHBondContact O-ND2 2.94Å; N306-N358 PolarHBondContact O-OD1 2.9Å; Y307-N358 WeakPolarHBondContact CA-OD1 3.41Å; T308-N358 PolarHBondContact N-OD1 3.42Å; T308-N358 PolarHBondContact OG1-OD1 2.73Å; Q355-N358 PolarHBondContact O-N 3.31Å; Q355-N358 VanDerWaalsContact O-N 3.15Å; Q355-N358 PolarHBondContact OE1-ND2 3.49Å; Q355-N358 VanDerWaalsContact OE1-ND2 3.14Å; L356-N358 PolarHBondContact O-N 2.89Å; N358-V360 PolarHBondContact O-N 3.49Å; N358-A377 HydrophobicContact CB-CB 3.91Å; N358-A377 VanDerWaalsContact O-CB 3.26Å; N358-A377 WeakPolarHBondContact O-CB 3.45Å |
| 359 | I | 94.2 | Very high | 91.4 | Very high | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.062 | 25% | 0.254 | C | S | . | . | trans | -79.5 | 111.1 | 175 | -59.8 | 175.5 | 0 | 0 | 0 | 109.3 | L356 G357 F361 M372 A377 A378 V381 F392 V421 | L356-I359 HydrophobicContact CD2-CD1 3.9Å; L356-I359 WeakPolarHBondContact O-CB 3.46Å; L356-I359 WeakPolarHBondContact O-CG1 3.46Å; L356-I359 PolarHBondContact O-N 3.4Å; G357-I359 VanDerWaalsContact C-N 3.3Å; I359-F361 HydrophobicContact CG2-CE1 3.99Å; I359-F361 HydrophobicContact CG2-CE2 3.84Å; I359-F361 HydrophobicContact CG2-CZ 3.46Å; I359-F361 VanDerWaalsContact CG2-CZ 3.46Å; I359-M372 HydrophobicContact CG2-CE 3.67Å; I359-A377 HydrophobicContact CG1-CB 3.98Å; I359-A378 HydrophobicContact CD1-CB 4.26Å; I359-A378 HydrophobicContact CG1-CB 4.46Å; I359-V381 HydrophobicContact CD1-CG2 4.48Å; I359-F392 HydrophobicContact CD1-CE1 3.91Å; I359-F392 HydrophobicContact CD1-CZ 4.11Å; I359-V421 HydrophobicContact CD1-CG1 4.47Å; I359-V421 HydrophobicContact CD1-CG2 4.45Å | ||
| 360 | V | 92.5 | Very high | 91.1 | Very high | 95 Ų | 95 | 52.9 Ų | 52.9 | 58% | 0.576 | 26% | 0.258 | S | S | * | . | trans | -101.7 | 114.1 | -177.2 | -178.6 | 0 | 0 | 0 | 0 | 111.5 | N358 P373 | N358-V360 PolarHBondContact O-N 3.49Å; V360-P373 WeakPolarHBondContact O-CD 3.08Å | ||
| 361 | F | 93.2 | Very high | 90.9 | Very high | 4 Ų | 4 | 54.2 Ų | 54.2 | 2% | 0.018 | 27% | 0.267 | C | S | . | . | trans | -87.4 | 142.3 | 169.3 | -59.5 | -66.5 | 0 | 0 | 0 | 112 | I359 A370 S371 M372 I396 L397 K414 A417 V421 | I359-F361 HydrophobicContact CG2-CE1 3.99Å; I359-F361 HydrophobicContact CG2-CE2 3.84Å; I359-F361 HydrophobicContact CG2-CZ 3.46Å; I359-F361 VanDerWaalsContact CG2-CZ 3.46Å; F361-A370 HydrophobicContact CB-CB 4.32Å; F361-A370 HydrophobicContact CD1-CB 4.34Å; F361-S371 WeakPolarHBondContact CA-O 3.44Å; F361-M372 HydrophobicContact CD1-CB 4.39Å; F361-M372 HydrophobicContact CE1-CB 4.32Å; F361-M372 HydrophobicContact CE1-CE 3.59Å; F361-M372 HydrophobicContact CZ-CE 4.02Å; F361-I396 HydrophobicContact CE1-CG2 4.05Å; F361-I396 HydrophobicContact CE2-CG2 4.33Å; F361-I396 HydrophobicContact CZ-CG2 3.54Å; F361-L397 HydrophobicContact CD1-CD2 3.59Å; F361-L397 HydrophobicContact CE1-CD2 3.52Å; F361-L397 HydrophobicContact CE1-CG 4.37Å; F361-K414 HydrophobicContact CB-CG 3.8Å; F361-K414 WeakPolarHBondContact O-CE 3.12Å; F361-A417 HydrophobicContact CB-CB 4.43Å; F361-A417 HydrophobicContact CD1-CB 3.9Å; F361-A417 HydrophobicContact CD2-CB 3.58Å; F361-A417 HydrophobicContact CE1-CB 4.05Å; F361-A417 VanDerWaalsContact CE2-C 3.47Å; F361-A417 HydrophobicContact CE2-CB 3.75Å; F361-A417 WeakPolarHBondContact CE2-O 3.06Å; F361-A417 HydrophobicContact CG-CB 3.67Å; F361-A417 HydrophobicContact CZ-CB 3.99Å; F361-V421 HydrophobicContact CE2-CB 4.44Å; F361-V421 HydrophobicContact CE2-CG2 3.7Å; F361-V421 HydrophobicContact CZ-CG2 3.87Å | ||
| 362 | K | 90.2 | Very high | 90.7 | Very high | 134 Ų | 134 | 55.3 Ų | 55.3 | 58% | 0.583 | 27% | 0.273 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 134.3 | 175.5 | -169.3 | 171.7 | -177.2 | 176.5 | 0 | 109.6 | S371 P373 | K362-S371 PolarHBondContact N-O 3.24Å; K362-S371 PolarHBondContact O-N 3.42Å; K362-P373 HydrophobicContact CB-CG 3.66Å; K362-P373 HydrophobicContact CD-CG 3.98Å; K362-P373 HydrophobicContact CG-CG 4.5Å |
| 363 | K | 89.9 | Confident | 90.3 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 40% | 0.4 | 30% | 0.299 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.4 | 122.8 | 173.7 | -175.9 | 169.5 | 179.9 | 172.7 | 0 | 110.1 | D368 K414 | K363-D368 VanDerWaalsContact CE-CB 3.49Å; K363-D368 WeakPolarHBondContact CE-OD1 3.04Å; K363-D368 WeakPolarHBondContact CE-OD2 2.92Å; K363-D368 IonicContact NZ-OD1 2.67Å; K363-D368 IonicContact NZ-OD2 3.56Å; K363-D368 PolarHBondContact NZ-OD2 2.89Å; K363-K414 HydrophobicContact CB-CB 4.27Å |
| 364 | E | 86.1 | Confident | 89.9 | Confident | 83 Ų | 83 | 64 Ų | 64 | 39% | 0.388 | 32% | 0.324 | S | S | . | . | trans | -83.4 | 127.4 | 177.4 | -60.8 | -152.4 | 154.2 | 0 | 0 | 111.7 | N366 T367 D368 Q369 S371 | E364-N366 PolarHBondContact O-N 2.98Å; E364-T367 PolarHBondContact O-N 3.07Å; E364-D368 WeakPolarHBondContact O-CA 3.45Å; E364-D368 PolarHBondContact O-N 3.38Å; E364-Q369 PolarHBondContact N-O 2.85Å; E364-S371 WeakPolarHBondContact CG-OG 2.91Å; E364-S371 WeakPolarHBondContact OE1-CB 3.27Å; E364-S371 PolarHBondContact OE1-OG 2.98Å | ||
| 365 | R | 82.6 | Confident | 89.8 | Confident | 243 Ų | 243 | 67 Ų | 67 | 92% | 0.917 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.8 | -11.7 | -175.6 | -68.6 | -174.4 | 174.8 | -170.1 | -2.2 | 115.1 | ||
| 366 | N | 81.7 | Confident | 89.7 | Confident | 151 Ų | 151 | 69.9 Ų | 69.9 | 81% | 0.807 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -101.1 | -19.7 | -172.7 | -60.8 | 3.1 | 0 | 0 | 0 | 112.6 | E364 | E364-N366 PolarHBondContact O-N 2.98Š|
| 367 | T | 85.2 | Confident | 89.6 | Confident | 66 Ų | 66 | 70.2 Ų | 70.2 | 41% | 0.405 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -138.6 | -10.8 | -168.7 | 55.8 | 0 | 0 | 0 | 0 | 113.2 | E364 Q369 | E364-T367 PolarHBondContact O-N 3.07Å; T367-Q369 PolarHBondContact O-N 3.49Å; T367-Q369 PolarHBondContact OG1-N 3.44Å |
| 368 | D | 84.7 | Confident | 89.6 | Confident | 84 Ų | 84 | 69.7 Ų | 69.7 | 45% | 0.449 | 36% | 0.356 | S | S | . | . | S | Bend | trans | 58 | 8.3 | -170.4 | -86.1 | 15.4 | 0 | 0 | 0 | 115.3 | K363 E364 | K363-D368 VanDerWaalsContact CE-CB 3.49Å; K363-D368 WeakPolarHBondContact CE-OD1 3.04Å; K363-D368 WeakPolarHBondContact CE-OD2 2.92Å; K363-D368 IonicContact NZ-OD1 2.67Å; K363-D368 IonicContact NZ-OD2 3.56Å; K363-D368 PolarHBondContact NZ-OD2 2.89Å; E364-D368 WeakPolarHBondContact O-CA 3.45Å; E364-D368 PolarHBondContact O-N 3.38Å |
| 369 | Q | 88.5 | Confident | 89.6 | Confident | 83 Ų | 83 | 72.7 Ų | 72.7 | 39% | 0.388 | 37% | 0.368 | S | S | . | . | B | Isolated β-bridge | trans | -81.3 | 162.3 | 180 | -68.1 | 163.4 | 12.5 | 0 | 0 | 112.2 | E364 T367 A411 Q412 | E364-Q369 PolarHBondContact N-O 2.85Å; T367-Q369 PolarHBondContact O-N 3.49Å; T367-Q369 PolarHBondContact OG1-N 3.44Å; Q369-A411 VanDerWaalsContact CD-CB 3.41Å; Q369-A411 HydrophobicContact CG-CB 3.82Å; Q369-Q412 WeakPolarHBondContact CA-O 3.2Å |
| 370 | A | 90.8 | Very high | 89.6 | Confident | 11 Ų | 11 | 74.6 Ų | 74.6 | 9% | 0.091 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.6 | 133.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | F361 L397 Q412 A417 | F361-A370 HydrophobicContact CB-CB 4.32Å; F361-A370 HydrophobicContact CD1-CB 4.34Å; A370-L397 HydrophobicContact CB-CD2 3.7Å; A370-Q412 PolarHBondContact N-O 3.49Å; A370-A417 HydrophobicContact CB-CB 3.79Å |
| 371 | S | 91.3 | Very high | 89.7 | Confident | 28 Ų | 28 | 70.2 Ų | 70.2 | 20% | 0.196 | 35% | 0.35 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 160.7 | 154.1 | 63.7 | 0 | 0 | 0 | 0 | 111.2 | F361 K362 E364 P373 | F361-S371 WeakPolarHBondContact CA-O 3.44Å; K362-S371 PolarHBondContact N-O 3.24Å; K362-S371 PolarHBondContact O-N 3.42Å; E364-S371 WeakPolarHBondContact CG-OG 2.91Å; E364-S371 WeakPolarHBondContact OE1-CB 3.27Å; E364-S371 PolarHBondContact OE1-OG 2.98Å; S371-P373 WeakPolarHBondContact O-CD 3.31Å |
| 372 | M | 91.8 | Very high | 89.8 | Confident | 24 Ų | 24 | 70.1 Ų | 70.1 | 12% | 0.118 | 35% | 0.349 | C | S | . | . | trans | -110.5 | 92.7 | -180 | 179.8 | -174.7 | -65 | 0 | 0 | 107.7 | I359 F361 D374 N375 A378 T393 L397 | I359-M372 HydrophobicContact CG2-CE 3.67Å; F361-M372 HydrophobicContact CD1-CB 4.39Å; F361-M372 HydrophobicContact CE1-CB 4.32Å; F361-M372 HydrophobicContact CE1-CE 3.59Å; F361-M372 HydrophobicContact CZ-CE 4.02Å; M372-D374 VanDerWaalsContact C-N 3.35Å; M372-D374 VanDerWaalsContact CG-O 3.32Å; M372-D374 WeakPolarHBondContact CG-O 3.33Å; M372-D374 PolarHBondContact O-N 3.24Å; M372-N375 HydrophobicContact CG-CB 4.32Å; M372-N375 HydrophobicContact SD-CB 3.72Å; M372-A378 HydrophobicContact CE-CB 4.2Å; M372-A378 HydrophobicContact SD-CB 3.81Å; M372-T393 HydrophobicContact CE-CG2 3.99Å; M372-T393 HydrophobicContact SD-CG2 3.93Å; M372-L397 HydrophobicContact CB-CD1 4.12Å | ||
| 373 | P | 86.5 | Confident | 90 | Very high | 86 Ų | 86 | 70.5 Ų | 70.5 | 56% | 0.558 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -74.1 | -27 | -169.9 | -16.9 | 32.5 | 0 | 0 | 0 | 113.5 | V360 K362 S371 | V360-P373 WeakPolarHBondContact O-CD 3.08Å; K362-P373 HydrophobicContact CB-CG 3.66Å; K362-P373 HydrophobicContact CD-CG 3.98Å; K362-P373 HydrophobicContact CG-CG 4.5Å; S371-P373 WeakPolarHBondContact O-CD 3.31Å |
| 374 | D | 89.4 | Confident | 90.2 | Very high | 96 Ų | 96 | 66.4 Ų | 66.4 | 51% | 0.513 | 34% | 0.335 | S | S | . | . | trans | -123.6 | 125.1 | 168.3 | 176.6 | 18.6 | 0 | 0 | 0 | 107.8 | M372 T376 | M372-D374 VanDerWaalsContact C-N 3.35Å; M372-D374 VanDerWaalsContact CG-O 3.32Å; M372-D374 WeakPolarHBondContact CG-O 3.33Å; M372-D374 PolarHBondContact O-N 3.24Å; D374-T376 WeakPolarHBondContact OD1-CB 3.09Å; D374-T376 PolarHBondContact OD1-N 2.94Å; D374-T376 PolarHBondContact OD1-OG1 2.86Å | ||
| 375 | N | 90.8 | Very high | 90.6 | Very high | 66 Ų | 66 | 62.7 Ų | 62.7 | 35% | 0.353 | 32% | 0.318 | S | S | . | . | trans | -101.4 | 5.6 | 177.2 | 69.5 | -2.4 | 0 | 0 | 0 | 112.8 | M372 A377 A378 Q379 | M372-N375 HydrophobicContact CG-CB 4.32Å; M372-N375 HydrophobicContact SD-CB 3.72Å; N375-A377 VanDerWaalsContact C-N 3.32Å; N375-A377 PolarHBondContact O-N 3.43Å; N375-A378 CarbonylContact O-C 3.52Å; N375-A378 WeakPolarHBondContact O-CA 3.08Å; N375-A378 WeakPolarHBondContact O-CB 3.42Å; N375-A378 PolarHBondContact O-N 2.89Å; N375-Q379 WeakPolarHBondContact O-CG 3.09Å; N375-Q379 PolarHBondContact O-N 3Å; N375-Q379 PolarHBondContact OD1-NE2 3.35Å | ||
| 376 | T | 92.5 | Very high | 91.1 | Very high | 62 Ų | 62 | 51.9 Ų | 51.9 | 38% | 0.38 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -56.5 | -41.7 | -177.9 | -57.4 | 0 | 0 | 0 | 0 | 112.4 | D374 Q379 K380 | D374-T376 WeakPolarHBondContact OD1-CB 3.09Å; D374-T376 PolarHBondContact OD1-N 2.94Å; D374-T376 PolarHBondContact OD1-OG1 2.86Å; T376-Q379 PolarHBondContact O-N 3.41Å; T376-K380 WeakPolarHBondContact O-CG 3.35Å; T376-K380 PolarHBondContact O-N 3.45Å; T376-K380 VanDerWaalsContact O-N 3.12Å |
| 377 | A | 92.3 | Very high | 91.8 | Very high | 10 Ų | 10 | 45.7 Ų | 45.7 | 8% | 0.083 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.8 | -45.1 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112 | N358 I359 N375 Q379 K380 V381 | N358-A377 HydrophobicContact CB-CB 3.91Å; N358-A377 VanDerWaalsContact O-CB 3.26Å; N358-A377 WeakPolarHBondContact O-CB 3.45Å; I359-A377 HydrophobicContact CG1-CB 3.98Å; N375-A377 VanDerWaalsContact C-N 3.32Å; N375-A377 PolarHBondContact O-N 3.43Å; A377-Q379 VanDerWaalsContact C-N 3.33Å; A377-Q379 PolarHBondContact O-N 2.84Å; A377-K380 PolarHBondContact O-N 3.42Å; A377-V381 WeakPolarHBondContact O-CG2 3Å; A377-V381 PolarHBondContact O-N 3.07Å |
| 378 | A | 93.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 46.4 Ų | 46.4 | 1% | 0.008 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64 | -35.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | I359 M372 N375 V381 C382 F392 | I359-A378 HydrophobicContact CD1-CB 4.26Å; I359-A378 HydrophobicContact CG1-CB 4.46Å; M372-A378 HydrophobicContact CE-CB 4.2Å; M372-A378 HydrophobicContact SD-CB 3.81Å; N375-A378 CarbonylContact O-C 3.52Å; N375-A378 WeakPolarHBondContact O-CA 3.08Å; N375-A378 WeakPolarHBondContact O-CB 3.42Å; N375-A378 PolarHBondContact O-N 2.89Å; A378-V381 PolarHBondContact O-N 3.28Å; A378-C382 VanDerWaalsContact O-CB 3.25Å; A378-C382 WeakPolarHBondContact O-CB 3.39Å; A378-C382 PolarHBondContact O-N 3.47Å; A378-C382 PolarHBondContact O-SG 3.37Å; A378-F392 HydrophobicContact CB-CD1 4.26Å; A378-F392 HydrophobicContact CB-CE1 4.12Å |
| 379 | Q | 94.2 | Very high | 92.6 | Very high | 95 Ų | 95 | 44.1 Ų | 44.1 | 44% | 0.444 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -60.4 | -46.8 | 172.9 | -68.8 | -178.6 | 36.4 | 0 | 0 | 111.4 | N375 T376 A377 C382 H383 V389 | N375-Q379 WeakPolarHBondContact O-CG 3.09Å; N375-Q379 PolarHBondContact O-N 3Å; N375-Q379 PolarHBondContact OD1-NE2 3.35Å; T376-Q379 PolarHBondContact O-N 3.41Å; A377-Q379 VanDerWaalsContact C-N 3.33Å; A377-Q379 PolarHBondContact O-N 2.84Å; Q379-C382 PolarHBondContact O-N 2.85Å; Q379-H383 WeakPolarHBondContact O-CB 3.04Å; Q379-H383 PolarHBondContact O-N 2.99Å; Q379-V389 HydrophobicContact CB-CG2 4.48Å; Q379-V389 HydrophobicContact CG-CG1 3.99Å; Q379-V389 HydrophobicContact CG-CG2 4.17Å |
| 380 | K | 94.7 | Very high | 92.8 | Very high | 53 Ų | 53 | 44.4 Ų | 44.4 | 23% | 0.23 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -59.2 | -49.9 | 176 | -65.2 | 174.1 | -177.4 | 167.8 | 0 | 111.4 | L300 E302 Q355 T376 A377 C382 H383 L384 | L300-K380 HydrophobicContact CD1-CB 3.97Å; L300-K380 HydrophobicContact CD1-CG 4.06Å; E302-K380 IonicContact OE1-NZ 2.7Å; E302-K380 PolarHBondContact OE1-NZ 2.99Å; Q355-K380 HydrophobicContact CG-CB 4.46Å; T376-K380 WeakPolarHBondContact O-CG 3.35Å; T376-K380 PolarHBondContact O-N 3.45Å; T376-K380 VanDerWaalsContact O-N 3.12Å; A377-K380 PolarHBondContact O-N 3.42Å; K380-C382 PolarHBondContact O-N 2.96Å; K380-H383 PolarHBondContact O-N 2.8Å; K380-L384 WeakPolarHBondContact O-CG 2.96Å; K380-L384 PolarHBondContact O-N 2.85Å |
| 381 | V | 94.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 46.5 Ų | 46.5 | 2% | 0.018 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -57.3 | -50.2 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 111.3 | Q355 L356 I359 A377 A378 H383 L384 M385 | Q355-V381 VanDerWaalsContact C-CG2 3.47Å; Q355-V381 HydrophobicContact CB-CG2 3.65Å; L356-V381 HydrophobicContact CD2-CG1 3.75Å; L356-V381 HydrophobicContact CD2-CG2 4.21Å; L356-V381 HydrophobicContact CG-CG1 4.03Å; L356-V381 HydrophobicContact CG-CG2 4.11Å; I359-V381 HydrophobicContact CD1-CG2 4.48Å; A377-V381 WeakPolarHBondContact O-CG2 3Å; A377-V381 PolarHBondContact O-N 3.07Å; A378-V381 PolarHBondContact O-N 3.28Å; V381-H383 VanDerWaalsContact C-N 3.34Å; V381-H383 PolarHBondContact O-N 2.92Å; V381-L384 PolarHBondContact O-N 3.47Å; V381-M385 HydrophobicContact CG1-CG 4.34Å; V381-M385 VanDerWaalsContact O-CB 3.3Å; V381-M385 WeakPolarHBondContact O-CB 3.43Å; V381-M385 VanDerWaalsContact O-CG 3.27Å; V381-M385 WeakPolarHBondContact O-CG 2.92Å; V381-M385 PolarHBondContact O-N 2.65Å |
| 382 | C | 94.8 | Very high | 93 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.007 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -66.3 | -35.7 | -176.3 | -68.8 | 0 | 0 | 0 | 0 | 112.6 | A378 Q379 K380 M385 G386 I387 V389 F392 | A378-C382 VanDerWaalsContact O-CB 3.25Å; A378-C382 WeakPolarHBondContact O-CB 3.39Å; A378-C382 PolarHBondContact O-N 3.47Å; A378-C382 PolarHBondContact O-SG 3.37Å; Q379-C382 PolarHBondContact O-N 2.85Å; K380-C382 PolarHBondContact O-N 2.96Å; C382-M385 PolarHBondContact O-N 3.14Å; C382-G386 PolarHBondContact O-N 3.19Å; C382-I387 HydrophobicContact CB-CG1 3.9Å; C382-I387 WeakPolarHBondContact CB-O 3.36Å; C382-I387 PolarHBondContact O-N 3.06Å; C382-V389 HydrophobicContact CB-CB 4.48Å; C382-V389 HydrophobicContact CB-CG2 3.76Å; C382-F392 VanDerWaalsContact SG-CD1 3.57Å; C382-F392 VanDerWaalsContact SG-CG 3.6Å |
| 383 | H | 94.2 | Very high | 93 | Very high | 142 Ų | 142 | 45.3 Ų | 45.3 | 66% | 0.657 | 25% | 0.25 | S | C | * | . | H | α-helix | trans | -64.3 | -47.8 | 173.3 | -178.1 | 72.6 | 0 | 0 | 0 | 111.9 | Q379 K380 V381 M385 | Q379-H383 WeakPolarHBondContact O-CB 3.04Å; Q379-H383 PolarHBondContact O-N 2.99Å; K380-H383 PolarHBondContact O-N 2.8Å; V381-H383 VanDerWaalsContact C-N 3.34Å; V381-H383 PolarHBondContact O-N 2.92Å; H383-M385 VanDerWaalsContact C-N 3.27Å; H383-M385 PolarHBondContact O-N 3.29Å |
| 384 | L | 94.2 | Very high | 93.2 | Very high | 6 Ų | 6 | 46 Ų | 46 | 3% | 0.031 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.6 | -30.2 | 177.3 | -68.6 | 168.6 | 0 | 0 | 0 | 112.9 | L300 K348 K380 V381 | L300-L384 HydrophobicContact CD1-CD2 4.49Å; L300-L384 HydrophobicContact CD1-CG 4.23Å; K348-L384 HydrophobicContact CG-CD2 4.38Å; K380-L384 WeakPolarHBondContact O-CG 2.96Å; K380-L384 PolarHBondContact O-N 2.85Å; V381-L384 PolarHBondContact O-N 3.47Å |
| 385 | M | 94.3 | Very high | 93.2 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 3% | 0.025 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -99 | 0.8 | -175.7 | -65.1 | -63.1 | -73.3 | 0 | 0 | 114.8 | V349 S352 V381 C382 H383 I387 T428 L607 S610 V615 | V349-M385 HydrophobicContact CG2-SD 4.16Å; S352-M385 PolarHBondContact OG-SD 2.86Å; V381-M385 HydrophobicContact CG1-CG 4.34Å; V381-M385 VanDerWaalsContact O-CB 3.3Å; V381-M385 WeakPolarHBondContact O-CB 3.43Å; V381-M385 VanDerWaalsContact O-CG 3.27Å; V381-M385 WeakPolarHBondContact O-CG 2.92Å; V381-M385 PolarHBondContact O-N 2.65Å; C382-M385 PolarHBondContact O-N 3.14Å; H383-M385 VanDerWaalsContact C-N 3.27Å; H383-M385 PolarHBondContact O-N 3.29Å; M385-I387 HydrophobicContact CB-CD1 4.44Å; M385-I387 HydrophobicContact CB-CG1 4.24Å; M385-T428 HydrophobicContact CE-CG2 4.24Å; M385-L607 HydrophobicContact CB-CD2 4.31Å; M385-L607 HydrophobicContact CE-CD2 3.73Å; M385-S610 PolarHBondContact O-OG 2.77Å; M385-V615 HydrophobicContact CE-CB 4.47Å; M385-V615 HydrophobicContact CE-CG1 3.68Å; M385-V615 HydrophobicContact CE-CG2 3.91Å; M385-V615 HydrophobicContact SD-CG2 4Å |
| 386 | G | 94.1 | Very high | 93.3 | Very high | 17 Ų | 17 | 39.2 Ų | 39.2 | 18% | 0.175 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67 | 35.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.3 | C382 S610 S611 | C382-G386 PolarHBondContact O-N 3.19Å; G386-S610 PolarHBondContact O-OG 2.69Å; G386-S611 WeakPolarHBondContact CA-OG 3.27Å; G386-S611 PolarHBondContact O-N 2.84Å; G386-S611 PolarHBondContact O-OG 2.58Å |
| 387 | I | 94.5 | Very high | 93.2 | Very high | 21 Ų | 21 | 37.4 Ų | 37.4 | 11% | 0.108 | 19% | 0.194 | C | C | . | . | trans | -127.6 | 161.5 | -176.2 | 60.1 | 172.8 | 0 | 0 | 0 | 112.9 | C382 M385 F392 L606 L607 | C382-I387 HydrophobicContact CB-CG1 3.9Å; C382-I387 WeakPolarHBondContact CB-O 3.36Å; C382-I387 PolarHBondContact O-N 3.06Å; M385-I387 HydrophobicContact CB-CD1 4.44Å; M385-I387 HydrophobicContact CB-CG1 4.24Å; I387-F392 HydrophobicContact CD1-CB 4.15Å; I387-F392 HydrophobicContact CD1-CD2 3.74Å; I387-F392 HydrophobicContact CD1-CE2 4.5Å; I387-F392 HydrophobicContact CD1-CG 4.15Å; I387-L606 HydrophobicContact CB-CD2 4.33Å; I387-L606 HydrophobicContact CB-CG 4.16Å; I387-L606 HydrophobicContact CD1-CD2 4.31Å; I387-L606 HydrophobicContact CG2-CG 4.06Å; I387-L607 HydrophobicContact CD1-CD2 4.06Å; I387-L607 HydrophobicContact CG2-CD2 4.16Å | ||
| 388 | N | 93.6 | Very high | 93.1 | Very high | 81 Ų | 81 | 38.8 Ų | 38.8 | 43% | 0.433 | 20% | 0.202 | S | C | . | . | trans | -80.1 | 126.3 | 179.2 | -172.6 | -53.1 | 0 | 0 | 0 | 111.9 | T390 D391 F392 | N388-T390 PolarHBondContact O-N 3.34Å; N388-T390 WeakPolarHBondContact OD1-CB 3.43Å; N388-T390 PolarHBondContact OD1-N 3Å; N388-D391 HydrophobicContact CB-CB 4.22Å; N388-D391 WeakPolarHBondContact CB-OD2 3.41Å; N388-D391 VanDerWaalsContact CG-OD2 3.26Å; N388-D391 PolarHBondContact O-N 3.36Å; N388-D391 PolarHBondContact OD1-N 3.37Å; N388-F392 WeakPolarHBondContact O-CB 3.07Å; N388-F392 PolarHBondContact O-N 3.19Å | ||
| 389 | V | 93.4 | Very high | 92.7 | Very high | 36 Ų | 36 | 38.8 Ų | 38.8 | 22% | 0.218 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -57.8 | -44.9 | 179.8 | -170.6 | 0 | 0 | 0 | 0 | 112.5 | Q379 C382 F392 T393 | Q379-V389 HydrophobicContact CB-CG2 4.48Å; Q379-V389 HydrophobicContact CG-CG1 3.99Å; Q379-V389 HydrophobicContact CG-CG2 4.17Å; C382-V389 HydrophobicContact CB-CB 4.48Å; C382-V389 HydrophobicContact CB-CG2 3.76Å; V389-F392 PolarHBondContact O-N 2.98Å; V389-T393 WeakPolarHBondContact O-CB 3.44Å; V389-T393 PolarHBondContact O-N 2.68Å; V389-T393 PolarHBondContact O-OG1 2.74Å |
| 390 | T | 92.7 | Very high | 92.2 | Very high | 89 Ų | 89 | 41.1 Ų | 41.1 | 55% | 0.546 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -66.8 | -39.7 | -177.4 | -53.3 | 0 | 0 | 0 | 0 | 111.2 | N388 R394 | N388-T390 PolarHBondContact O-N 3.34Å; N388-T390 WeakPolarHBondContact OD1-CB 3.43Å; N388-T390 PolarHBondContact OD1-N 3Å; T390-R394 VanDerWaalsContact O-CB 3.23Å; T390-R394 WeakPolarHBondContact O-CB 2.97Å; T390-R394 PolarHBondContact O-N 3.18Å |
| 391 | D | 92.2 | Very high | 91.5 | Very high | 54 Ų | 54 | 39.2 Ų | 39.2 | 29% | 0.289 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -76.6 | -34.3 | 179.7 | -58 | -49.1 | 0 | 0 | 0 | 111.9 | N388 R394 S395 L606 | N388-D391 HydrophobicContact CB-CB 4.22Å; N388-D391 WeakPolarHBondContact CB-OD2 3.41Å; N388-D391 VanDerWaalsContact CG-OD2 3.26Å; N388-D391 PolarHBondContact O-N 3.36Å; N388-D391 PolarHBondContact OD1-N 3.37Å; D391-R394 IonicContact OD1-CZ 2.72Å; D391-R394 IonicContact OD1-NH1 3.91Å; D391-R394 PolarHBondContact OD1-NH1 2.96Å; D391-R394 IonicContact OD1-NH2 2.58Å; D391-R394 PolarHBondContact OD1-NH2 2.71Å; D391-S395 VanDerWaalsContact O-CB 3.24Å; D391-S395 WeakPolarHBondContact O-CB 3.44Å; D391-S395 PolarHBondContact O-N 2.91Å; D391-S395 PolarHBondContact O-OG 2.73Å; D391-L606 HydrophobicContact CB-CD2 4.36Å |
| 392 | F | 93.7 | Very high | 90.2 | Very high | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -62.4 | -54.1 | 169.7 | 174.9 | -100.9 | 0 | 0 | 0 | 111.7 | L356 I359 A378 C382 I387 N388 V389 R394 S395 I396 L424 V603 L606 | L356-F392 HydrophobicContact CD2-CZ 4.06Å; I359-F392 HydrophobicContact CD1-CE1 3.91Å; I359-F392 HydrophobicContact CD1-CZ 4.11Å; A378-F392 HydrophobicContact CB-CD1 4.26Å; A378-F392 HydrophobicContact CB-CE1 4.12Å; C382-F392 VanDerWaalsContact SG-CD1 3.57Å; C382-F392 VanDerWaalsContact SG-CG 3.6Å; I387-F392 HydrophobicContact CD1-CB 4.15Å; I387-F392 HydrophobicContact CD1-CD2 3.74Å; I387-F392 HydrophobicContact CD1-CE2 4.5Å; I387-F392 HydrophobicContact CD1-CG 4.15Å; N388-F392 WeakPolarHBondContact O-CB 3.07Å; N388-F392 PolarHBondContact O-N 3.19Å; V389-F392 PolarHBondContact O-N 2.98Å; F392-R394 VanDerWaalsContact C-N 3.31Å; F392-R394 PolarHBondContact O-N 3.44Å; F392-S395 PolarHBondContact O-N 3.17Å; F392-S395 VanDerWaalsContact O-N 3.1Å; F392-I396 HydrophobicContact CD2-CG1 4.42Å; F392-I396 HydrophobicContact CE1-CG1 4.3Å; F392-I396 HydrophobicContact CE2-CD1 4.32Å; F392-I396 HydrophobicContact CE2-CG1 4.03Å; F392-I396 HydrophobicContact CZ-CD1 4.41Å; F392-I396 HydrophobicContact CZ-CG1 3.97Å; F392-I396 PolarHBondContact O-N 3.34Å; F392-L424 HydrophobicContact CE2-CD2 3.87Å; F392-L424 HydrophobicContact CZ-CD2 4.38Å; F392-V603 HydrophobicContact CD2-CG1 4.21Å; F392-V603 HydrophobicContact CE2-CG1 4.13Å; F392-L606 HydrophobicContact CB-CD2 4.1Å |
| 393 | T | 92.6 | Very high | 88.9 | Confident | 26 Ų | 26 | 46 Ų | 46 | 16% | 0.16 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -59.6 | -40.9 | 177.4 | -64.5 | 0 | 0 | 0 | 0 | 111.4 | M372 V389 I396 L397 | M372-T393 HydrophobicContact CE-CG2 3.99Å; M372-T393 HydrophobicContact SD-CG2 3.93Å; V389-T393 WeakPolarHBondContact O-CB 3.44Å; V389-T393 PolarHBondContact O-N 2.68Å; V389-T393 PolarHBondContact O-OG1 2.74Å; T393-I396 PolarHBondContact O-N 2.71Å; T393-L397 HydrophobicContact CG2-CD1 3.7Å; T393-L397 HydrophobicContact CG2-CG 4.27Å; T393-L397 WeakPolarHBondContact O-CB 3.22Å; T393-L397 WeakPolarHBondContact O-CG 3.08Å; T393-L397 PolarHBondContact O-N 3.27Å |
| 394 | R | 91.3 | Very high | 87.7 | Confident | 101 Ų | 101 | 41.5 Ų | 41.5 | 38% | 0.381 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -64.2 | -39.4 | 175 | -166.6 | -170.9 | -52.8 | 114.7 | 5.7 | 112 | T390 D391 F392 T398 | T390-R394 VanDerWaalsContact O-CB 3.23Å; T390-R394 WeakPolarHBondContact O-CB 2.97Å; T390-R394 PolarHBondContact O-N 3.18Å; D391-R394 IonicContact OD1-CZ 2.72Å; D391-R394 IonicContact OD1-NH1 3.91Å; D391-R394 PolarHBondContact OD1-NH1 2.96Å; D391-R394 IonicContact OD1-NH2 2.58Å; D391-R394 PolarHBondContact OD1-NH2 2.71Å; F392-R394 VanDerWaalsContact C-N 3.31Å; F392-R394 PolarHBondContact O-N 3.44Å; R394-T398 VanDerWaalsContact CG-OG1 3.3Å; R394-T398 WeakPolarHBondContact CG-OG1 3.05Å; R394-T398 CarbonylContact O-C 3.08Å; R394-T398 VanDerWaalsContact O-CA 3.26Å; R394-T398 WeakPolarHBondContact O-CA 3.36Å; R394-T398 PolarHBondContact O-N 2.82Å; R394-T398 VanDerWaalsContact O-O 3.09Å; R394-T398 PolarHBondContact O-OG1 2.72Å |
| 395 | S | 89.7 | Confident | 86.7 | Confident | 18 Ų | 18 | 50 Ų | 50 | 13% | 0.126 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -69.1 | -37.8 | 179.8 | -61.3 | 0 | 0 | 0 | 0 | 112.4 | D391 F392 P399 N600 | D391-S395 VanDerWaalsContact O-CB 3.24Å; D391-S395 WeakPolarHBondContact O-CB 3.44Å; D391-S395 PolarHBondContact O-N 2.91Å; D391-S395 PolarHBondContact O-OG 2.73Å; F392-S395 PolarHBondContact O-N 3.17Å; F392-S395 VanDerWaalsContact O-N 3.1Å; S395-P399 WeakPolarHBondContact O-CA 3.39Å; S395-P399 WeakPolarHBondContact O-CB 3.09Å; S395-P399 WeakPolarHBondContact O-CD 2.95Å; S395-N600 PolarHBondContact O-ND2 3.46Å |
| 396 | I | 91.3 | Very high | 85.9 | Confident | 1 Ų | 1 | 55.7 Ų | 55.7 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -73.6 | -49.6 | 176.3 | -64 | -72.6 | 0 | 0 | 0 | 111.7 | F361 F392 T393 Q412 A417 A420 V421 V603 | F361-I396 HydrophobicContact CE1-CG2 4.05Å; F361-I396 HydrophobicContact CE2-CG2 4.33Å; F361-I396 HydrophobicContact CZ-CG2 3.54Å; F392-I396 HydrophobicContact CD2-CG1 4.42Å; F392-I396 HydrophobicContact CE1-CG1 4.3Å; F392-I396 HydrophobicContact CE2-CD1 4.32Å; F392-I396 HydrophobicContact CE2-CG1 4.03Å; F392-I396 HydrophobicContact CZ-CD1 4.41Å; F392-I396 HydrophobicContact CZ-CG1 3.97Å; F392-I396 PolarHBondContact O-N 3.34Å; T393-I396 PolarHBondContact O-N 2.71Å; I396-Q412 WeakPolarHBondContact O-CG 3.31Å; I396-A417 HydrophobicContact CG2-CB 4.31Å; I396-A420 HydrophobicContact CD1-CB 4.27Å; I396-V421 HydrophobicContact CD1-CG2 4.22Å; I396-V421 HydrophobicContact CG2-CG2 4.22Å; I396-V603 HydrophobicContact CD1-CG2 3.78Å; I396-V603 HydrophobicContact CG1-CG2 4.16Å |
| 397 | L | 91.8 | Very high | 85.3 | Confident | 24 Ų | 24 | 59.6 Ų | 59.6 | 13% | 0.126 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -77.8 | -34.9 | -175.6 | -65.7 | -178.8 | 0 | 0 | 0 | 113.4 | F361 A370 M372 T393 A411 Q412 A417 | F361-L397 HydrophobicContact CD1-CD2 3.59Å; F361-L397 HydrophobicContact CE1-CD2 3.52Å; F361-L397 HydrophobicContact CE1-CG 4.37Å; A370-L397 HydrophobicContact CB-CD2 3.7Å; M372-L397 HydrophobicContact CB-CD1 4.12Å; T393-L397 HydrophobicContact CG2-CD1 3.7Å; T393-L397 HydrophobicContact CG2-CG 4.27Å; T393-L397 WeakPolarHBondContact O-CB 3.22Å; T393-L397 WeakPolarHBondContact O-CG 3.08Å; T393-L397 PolarHBondContact O-N 3.27Å; L397-A411 WeakPolarHBondContact O-CA 3.43Å; L397-Q412 PolarHBondContact O-N 2.9Å; L397-A417 HydrophobicContact CD2-CB 4.47Å |
| 398 | T | 89.8 | Confident | 84.7 | Confident | 40 Ų | 40 | 62 Ų | 62 | 25% | 0.245 | 32% | 0.321 | C | S | . | . | S | Bend | trans | -139.7 | 61.5 | -173.3 | 60.5 | 0 | 0 | 0 | 0 | 112 | R394 Q409 K410 A411 | R394-T398 VanDerWaalsContact CG-OG1 3.3Å; R394-T398 WeakPolarHBondContact CG-OG1 3.05Å; R394-T398 CarbonylContact O-C 3.08Å; R394-T398 VanDerWaalsContact O-CA 3.26Å; R394-T398 WeakPolarHBondContact O-CA 3.36Å; R394-T398 PolarHBondContact O-N 2.82Å; R394-T398 VanDerWaalsContact O-O 3.09Å; R394-T398 PolarHBondContact O-OG1 2.72Å; T398-Q409 WeakPolarHBondContact O-CG 3.43Å; T398-Q409 PolarHBondContact OG1-NE2 3.19Å; T398-Q409 VanDerWaalsContact OG1-NE2 3.16Å; T398-K410 WeakPolarHBondContact CA-O 2.79Å; T398-A411 HydrophobicContact CG2-CB 4.24Å |
| 399 | P | 85.6 | Confident | 84.3 | Confident | 1 Ų | 1 | 62.7 Ų | 62.7 | 1% | 0.006 | 32% | 0.322 | C | S | . | . | trans | -54.2 | 148.5 | 177.1 | 21.6 | -33.4 | 0 | 0 | 0 | 112.9 | S395 I401 Q409 K410 Q412 N602 | S395-P399 WeakPolarHBondContact O-CA 3.39Å; S395-P399 WeakPolarHBondContact O-CB 3.09Å; S395-P399 WeakPolarHBondContact O-CD 2.95Å; P399-I401 HydrophobicContact CB-CG1 4.2Å; P399-I401 HydrophobicContact CG-CD1 4.41Å; P399-I401 HydrophobicContact CG-CG1 4.42Å; P399-Q409 WeakPolarHBondContact O-CA 3.34Å; P399-K410 VanDerWaalsContact CD-O 3.26Å; P399-K410 WeakPolarHBondContact CD-O 3.29Å; P399-K410 PolarHBondContact O-N 2.67Å; P399-Q412 HydrophobicContact CG-CG 4.04Å; P399-Q412 VanDerWaalsContact CG-NE2 3.27Å; P399-N602 VanDerWaalsContact CA-OD1 3.22Å; P399-N602 WeakPolarHBondContact CA-OD1 3.05Å; P399-N602 WeakPolarHBondContact CB-OD1 3.5Å | ||
| 400 | R | 83.5 | Confident | 83.9 | Confident | 144 Ų | 144 | 66 Ų | 66 | 54% | 0.543 | 33% | 0.333 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.9 | 96 | 173.8 | -76.1 | 180 | 169.8 | -173.2 | -5.7 | 108.3 | V407 Q409 N602 | R400-V407 HydrophobicContact CB-CG1 3.75Å; R400-V407 HydrophobicContact CG-CG1 4.24Å; R400-Q409 HydrophobicContact CG-CB 4.25Å; R400-Q409 HydrophobicContact CG-CG 4.13Å; R400-N602 PolarHBondContact N-OD1 2.64Å; R400-N602 PolarHBondContact O-ND2 2.62Å; R400-N602 PolarHBondContact O-OD1 3.26Å |
| 401 | I | 78.4 | Confident | 83.7 | Confident | 13 Ų | 13 | 63.2 Ų | 63.2 | 7% | 0.067 | 32% | 0.319 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 138.6 | -175.1 | -50.7 | -178.3 | 0 | 0 | 0 | 107.9 | P399 V403 V407 V408 K410 L628 D629 A632 | P399-I401 HydrophobicContact CB-CG1 4.2Å; P399-I401 HydrophobicContact CG-CD1 4.41Å; P399-I401 HydrophobicContact CG-CG1 4.42Å; I401-V403 HydrophobicContact CG2-CG2 4.27Å; I401-V403 PolarHBondContact O-N 2.86Å; I401-V407 CarbonylContact O-C 3.54Å; I401-V407 WeakPolarHBondContact O-CA 3.42Å; I401-V408 PolarHBondContact N-O 2.93Å; I401-V408 PolarHBondContact O-N 3.34Å; I401-K410 HydrophobicContact CD1-CB 4Å; I401-K410 HydrophobicContact CD1-CD 4.11Å; I401-L628 HydrophobicContact CD1-CD2 4.34Å; I401-D629 HydrophobicContact CG2-CB 4.23Å; I401-A632 HydrophobicContact CG2-CB 4.07Å |
| 402 | K | 68.8 | Low | 83.5 | Confident | 103 Ų | 103 | 61.1 Ų | 61.1 | 45% | 0.448 | 31% | 0.308 | S | S | . | . | trans | -103.3 | 60.6 | -170.8 | -166.7 | -157.7 | 166.6 | -178.9 | 0 | 112.7 | G404 R405 D406 V407 D629 K633 | K402-G404 PolarHBondContact O-N 3.29Å; K402-G404 VanDerWaalsContact O-N 3.14Å; K402-R405 VanDerWaalsContact CE-O 3.31Å; K402-R405 WeakPolarHBondContact CE-O 3.35Å; K402-D406 CarbonylContact C-O 3.51Å; K402-D406 WeakPolarHBondContact CA-O 3.46Å; K402-V407 HydrophobicContact CG-CG2 4.13Å; K402-D629 WeakPolarHBondContact CA-OD1 3.45Å; K402-D629 WeakPolarHBondContact CB-OD1 3.01Å; K402-D629 PolarHBondContact N-OD1 3.06Å; K402-K633 WeakPolarHBondContact O-CE 3.38Å; K402-K633 PolarHBondContact O-NZ 3.46Å | ||
| 403 | V | 67.1 | Low | 83.4 | Confident | 43 Ų | 43 | 63.2 Ų | 63.2 | 26% | 0.261 | 32% | 0.321 | S | S | . | . | trans | -56.5 | 118 | -177.9 | -171.3 | 0 | 0 | 0 | 0 | 110.3 | I401 R405 D406 V408 A632 | I401-V403 HydrophobicContact CG2-CG2 4.27Å; I401-V403 PolarHBondContact O-N 2.86Å; V403-R405 PolarHBondContact O-N 2.82Å; V403-D406 PolarHBondContact N-O 2.86Å; V403-D406 VanDerWaalsContact N-O 3.08Å; V403-D406 PolarHBondContact O-N 3.23Å; V403-D406 VanDerWaalsContact O-N 3.08Å; V403-V408 HydrophobicContact CB-CG2 4.23Å; V403-V408 HydrophobicContact CG2-CB 4.34Å; V403-V408 HydrophobicContact CG2-CG2 3.99Å; V403-A632 HydrophobicContact CG2-CB 4.22Å | ||
| 404 | G | 69.1 | Low | 83.3 | Confident | 47 Ų | 47 | 64.9 Ų | 64.9 | 49% | 0.485 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | -106.4 | -169.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | K402 K633 | K402-G404 PolarHBondContact O-N 3.29Å; K402-G404 VanDerWaalsContact O-N 3.14Å; G404-K633 VanDerWaalsContact N-CE 3.31Å |
| 405 | R | 73.4 | Confident | 83.1 | Confident | 185 Ų | 185 | 65 Ų | 65 | 70% | 0.698 | 33% | 0.33 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | -23.7 | 175.7 | -70.3 | -175.8 | 172.9 | -174 | -3 | 113.3 | K402 V403 | K402-R405 VanDerWaalsContact CE-O 3.31Å; K402-R405 WeakPolarHBondContact CE-O 3.35Å; V403-R405 PolarHBondContact O-N 2.82Å |
| 406 | D | 78.1 | Confident | 83 | Confident | 124 Ų | 124 | 67.7 Ų | 67.7 | 66% | 0.663 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -87.1 | 158.2 | -173.1 | -66.1 | -60.4 | 0 | 0 | 0 | 113.1 | K402 V403 | K402-D406 CarbonylContact C-O 3.51Å; K402-D406 WeakPolarHBondContact CA-O 3.46Å; V403-D406 PolarHBondContact N-O 2.86Å; V403-D406 VanDerWaalsContact N-O 3.08Å; V403-D406 PolarHBondContact O-N 3.23Å; V403-D406 VanDerWaalsContact O-N 3.08Å |
| 407 | V | 80.8 | Confident | 82.9 | Confident | 99 Ų | 99 | 67.6 Ų | 67.6 | 60% | 0.6 | 34% | 0.341 | S | S | * | . | trans | -108.8 | 104.4 | -179.8 | -178.5 | 0 | 0 | 0 | 0 | 110.7 | R400 I401 K402 | R400-V407 HydrophobicContact CB-CG1 3.75Å; R400-V407 HydrophobicContact CG-CG1 4.24Å; I401-V407 CarbonylContact O-C 3.54Å; I401-V407 WeakPolarHBondContact O-CA 3.42Å; K402-V407 HydrophobicContact CG-CG2 4.13Å | ||
| 408 | V | 81.2 | Confident | 82.8 | Confident | 73 Ų | 73 | 68.6 Ų | 68.6 | 44% | 0.442 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94 | 124.5 | 178.5 | -176.2 | 0 | 0 | 0 | 0 | 109.7 | I401 V403 | I401-V408 PolarHBondContact N-O 2.93Å; I401-V408 PolarHBondContact O-N 3.34Å; V403-V408 HydrophobicContact CB-CG2 4.23Å; V403-V408 HydrophobicContact CG2-CB 4.34Å; V403-V408 HydrophobicContact CG2-CG2 3.99Å |
| 409 | Q | 86 | Confident | 82.6 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 44% | 0.439 | 35% | 0.346 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 110.1 | 173.5 | -169.5 | 166.6 | -25 | 0 | 0 | 109.9 | T398 P399 R400 | T398-Q409 WeakPolarHBondContact O-CG 3.43Å; T398-Q409 PolarHBondContact OG1-NE2 3.19Å; T398-Q409 VanDerWaalsContact OG1-NE2 3.16Å; P399-Q409 WeakPolarHBondContact O-CA 3.34Å; R400-Q409 HydrophobicContact CG-CB 4.25Å; R400-Q409 HydrophobicContact CG-CG 4.13Å |
| 410 | K | 84.8 | Confident | 82.7 | Confident | 105 Ų | 105 | 70 Ų | 70 | 46% | 0.457 | 35% | 0.352 | S | S | . | . | trans | -111.3 | 118.7 | -173 | -179.3 | 179.1 | 177.9 | 179.4 | 0 | 111.4 | T398 P399 I401 Q412 | T398-K410 WeakPolarHBondContact CA-O 2.79Å; P399-K410 VanDerWaalsContact CD-O 3.26Å; P399-K410 WeakPolarHBondContact CD-O 3.29Å; P399-K410 PolarHBondContact O-N 2.67Å; I401-K410 HydrophobicContact CD1-CB 4Å; I401-K410 HydrophobicContact CD1-CD 4.11Å; K410-Q412 PolarHBondContact O-NE2 3.32Å | ||
| 411 | A | 88.7 | Confident | 83 | Confident | 31 Ų | 31 | 63.4 Ų | 63.4 | 26% | 0.256 | 33% | 0.327 | S | S | . | . | P | Polyproline II helix | trans | -66.7 | 136.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | Q369 L397 T398 | Q369-A411 VanDerWaalsContact CD-CB 3.41Å; Q369-A411 HydrophobicContact CG-CB 3.82Å; L397-A411 WeakPolarHBondContact O-CA 3.43Å; T398-A411 HydrophobicContact CG2-CB 4.24Å |
| 412 | Q | 88.6 | Confident | 83.6 | Confident | 11 Ų | 11 | 64.2 Ų | 64.2 | 5% | 0.051 | 33% | 0.331 | C | S | . | . | P | Polyproline II helix | trans | -89.2 | 153.1 | 179.2 | -58.3 | -51.9 | -72.5 | 0 | 0 | 111.8 | Q369 A370 I396 L397 P399 K410 Q416 A417 | Q369-Q412 WeakPolarHBondContact CA-O 3.2Å; A370-Q412 PolarHBondContact N-O 3.49Å; I396-Q412 WeakPolarHBondContact O-CG 3.31Å; L397-Q412 PolarHBondContact O-N 2.9Å; P399-Q412 HydrophobicContact CG-CG 4.04Å; P399-Q412 VanDerWaalsContact CG-NE2 3.27Å; K410-Q412 PolarHBondContact O-NE2 3.32Å; Q412-Q416 HydrophobicContact CB-CB 3.9Å; Q412-Q416 HydrophobicContact CG-CB 4.43Å; Q412-A417 HydrophobicContact CB-CB 4.47Å |
| 413 | T | 90.5 | Very high | 84.4 | Confident | 45 Ų | 45 | 59.4 Ų | 59.4 | 28% | 0.276 | 31% | 0.31 | S | S | . | . | B | Isolated β-bridge | trans | -74.9 | 169.2 | 163.3 | 79.1 | 0 | 0 | 0 | 0 | 110.6 | E415 Q416 A417 | T413-E415 VanDerWaalsContact C-N 3.26Å; T413-E415 WeakPolarHBondContact CB-OE2 3.08Å; T413-E415 PolarHBondContact O-N 3.41Å; T413-E415 PolarHBondContact OG1-N 3.38Å; T413-E415 PolarHBondContact OG1-OE2 2.88Å; T413-Q416 PolarHBondContact O-N 2.83Å; T413-Q416 PolarHBondContact OG1-N 3.14Å; T413-A417 PolarHBondContact O-N 2.8Å |
| 414 | K | 91.5 | Very high | 85.6 | Confident | 61 Ų | 61 | 57.8 Ų | 57.8 | 27% | 0.265 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -55.3 | -45.3 | 176.9 | -171.5 | -148.3 | 178.1 | -63.6 | 0 | 111.2 | F361 K363 Q416 A417 D418 | F361-K414 HydrophobicContact CB-CG 3.8Å; F361-K414 WeakPolarHBondContact O-CE 3.12Å; K363-K414 HydrophobicContact CB-CB 4.27Å; K414-Q416 VanDerWaalsContact C-N 3.35Å; K414-Q416 PolarHBondContact O-N 2.94Å; K414-A417 PolarHBondContact O-N 2.99Å; K414-D418 IonicContact NZ-OD1 2.69Å; K414-D418 PolarHBondContact NZ-OD1 2.74Å; K414-D418 IonicContact NZ-OD2 2.61Å; K414-D418 PolarHBondContact NZ-OD2 3.5Å; K414-D418 WeakPolarHBondContact O-CB 3.02Å; K414-D418 PolarHBondContact O-N 3.36Å |
| 415 | E | 86.4 | Confident | 86.7 | Confident | 102 Ų | 102 | 55.6 Ų | 55.6 | 48% | 0.477 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -66.8 | -37.4 | -175.4 | -53.9 | 70.7 | -152 | 0 | 0 | 111.3 | T413 F419 | T413-E415 VanDerWaalsContact C-N 3.26Å; T413-E415 WeakPolarHBondContact CB-OE2 3.08Å; T413-E415 PolarHBondContact O-N 3.41Å; T413-E415 PolarHBondContact OG1-N 3.38Å; T413-E415 PolarHBondContact OG1-OE2 2.88Å; E415-F419 VanDerWaalsContact O-CB 3.27Å; E415-F419 WeakPolarHBondContact O-CB 3.39Å; E415-F419 PolarHBondContact O-N 2.69Å |
| 416 | Q | 86.6 | Confident | 87.4 | Confident | 75 Ų | 75 | 47.6 Ų | 47.6 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -69 | -39.3 | 174.1 | -71.8 | 167.8 | -12.5 | 0 | 0 | 112.1 | Q412 T413 K414 A420 | Q412-Q416 HydrophobicContact CB-CB 3.9Å; Q412-Q416 HydrophobicContact CG-CB 4.43Å; T413-Q416 PolarHBondContact O-N 2.83Å; T413-Q416 PolarHBondContact OG1-N 3.14Å; K414-Q416 VanDerWaalsContact C-N 3.35Å; K414-Q416 PolarHBondContact O-N 2.94Å; Q416-A420 WeakPolarHBondContact O-CB 2.99Å; Q416-A420 PolarHBondContact O-N 2.73Å |
| 417 | A | 89.5 | Confident | 87.9 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.9 | -42.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F361 A370 I396 L397 Q412 T413 K414 A420 V421 | F361-A417 HydrophobicContact CB-CB 4.43Å; F361-A417 HydrophobicContact CD1-CB 3.9Å; F361-A417 HydrophobicContact CD2-CB 3.58Å; F361-A417 HydrophobicContact CE1-CB 4.05Å; F361-A417 VanDerWaalsContact CE2-C 3.47Å; F361-A417 HydrophobicContact CE2-CB 3.75Å; F361-A417 WeakPolarHBondContact CE2-O 3.06Å; F361-A417 HydrophobicContact CG-CB 3.67Å; F361-A417 HydrophobicContact CZ-CB 3.99Å; A370-A417 HydrophobicContact CB-CB 3.79Å; I396-A417 HydrophobicContact CG2-CB 4.31Å; L397-A417 HydrophobicContact CD2-CB 4.47Å; Q412-A417 HydrophobicContact CB-CB 4.47Å; T413-A417 PolarHBondContact O-N 2.8Å; K414-A417 PolarHBondContact O-N 2.99Å; A417-A420 PolarHBondContact O-N 2.73Å; A417-V421 PolarHBondContact O-N 2.74Å |
| 418 | D | 90 | Very high | 88.5 | Confident | 45 Ų | 45 | 37.5 Ų | 37.5 | 24% | 0.241 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -55.6 | -50.9 | 171 | -64 | -36 | 0 | 0 | 0 | 109.9 | K414 A420 V421 E422 | K414-D418 IonicContact NZ-OD1 2.69Å; K414-D418 PolarHBondContact NZ-OD1 2.74Å; K414-D418 IonicContact NZ-OD2 2.61Å; K414-D418 PolarHBondContact NZ-OD2 3.5Å; K414-D418 WeakPolarHBondContact O-CB 3.02Å; K414-D418 PolarHBondContact O-N 3.36Å; D418-A420 PolarHBondContact O-N 3.38Å; D418-V421 PolarHBondContact O-N 2.65Å; D418-E422 PolarHBondContact O-N 3.48Å |
| 419 | F | 86.3 | Confident | 89.1 | Confident | 53 Ų | 53 | 34 Ų | 34 | 23% | 0.232 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -60.1 | -43.6 | 179.5 | -179.6 | -82.3 | 0 | 0 | 0 | 112.5 | E415 V421 E422 A423 P598 | E415-F419 VanDerWaalsContact O-CB 3.27Å; E415-F419 WeakPolarHBondContact O-CB 3.39Å; E415-F419 PolarHBondContact O-N 2.69Å; F419-V421 VanDerWaalsContact C-N 3.29Å; F419-V421 PolarHBondContact O-N 3.47Å; F419-E422 PolarHBondContact O-N 2.73Å; F419-A423 HydrophobicContact CD1-CB 4.4Å; F419-A423 HydrophobicContact CE1-CB 3.93Å; F419-A423 HydrophobicContact CZ-CB 4.41Å; F419-A423 WeakPolarHBondContact O-CB 3.29Å; F419-A423 PolarHBondContact O-N 2.68Å; F419-P598 HydrophobicContact CE1-CG 3.88Å; F419-P598 HydrophobicContact CZ-CG 4.08Å |
| 420 | A | 86.8 | Confident | 89.3 | Confident | 16 Ų | 16 | 31.3 Ų | 31.3 | 13% | 0.132 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -62.9 | -36 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | I396 Q416 A417 D418 L424 | I396-A420 HydrophobicContact CD1-CB 4.27Å; Q416-A420 WeakPolarHBondContact O-CB 2.99Å; Q416-A420 PolarHBondContact O-N 2.73Å; A417-A420 PolarHBondContact O-N 2.73Å; D418-A420 PolarHBondContact O-N 3.38Å; A420-L424 VanDerWaalsContact O-CB 3.28Å; A420-L424 WeakPolarHBondContact O-CB 3.16Å; A420-L424 PolarHBondContact O-N 3.44Å; A420-L424 VanDerWaalsContact O-N 3.09Å |
| 421 | V | 91.4 | Very high | 89.6 | Confident | 6 Ų | 6 | 28.5 Ų | 28.5 | 4% | 0.036 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -71.3 | -41.2 | 173.7 | 168.1 | 0 | 0 | 0 | 0 | 111.4 | L356 I359 F361 I396 A417 D418 F419 L424 A425 | L356-V421 HydrophobicContact CB-CG1 4.12Å; L356-V421 HydrophobicContact CD2-CG1 4.18Å; L356-V421 VanDerWaalsContact O-CG1 3.24Å; L356-V421 WeakPolarHBondContact O-CG1 2.96Å; I359-V421 HydrophobicContact CD1-CG1 4.47Å; I359-V421 HydrophobicContact CD1-CG2 4.45Å; F361-V421 HydrophobicContact CE2-CB 4.44Å; F361-V421 HydrophobicContact CE2-CG2 3.7Å; F361-V421 HydrophobicContact CZ-CG2 3.87Å; I396-V421 HydrophobicContact CD1-CG2 4.22Å; I396-V421 HydrophobicContact CG2-CG2 4.22Å; A417-V421 PolarHBondContact O-N 2.74Å; D418-V421 PolarHBondContact O-N 2.65Å; F419-V421 VanDerWaalsContact C-N 3.29Å; F419-V421 PolarHBondContact O-N 3.47Å; V421-L424 PolarHBondContact O-N 2.69Å; V421-A425 WeakPolarHBondContact O-CB 3.2Å; V421-A425 PolarHBondContact O-N 2.72Å |
| 422 | E | 90 | Very high | 89.9 | Confident | 31 Ų | 31 | 27 Ų | 27 | 15% | 0.145 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -62.4 | -45.6 | 174.7 | -82.2 | -168.7 | -173 | 0 | 0 | 113.2 | I272 R273 F309 D418 F419 A425 K426 | I272-E422 HydrophobicContact CD1-CB 3.77Å; I272-E422 VanDerWaalsContact CD1-CD 3.47Å; I272-E422 HydrophobicContact CD1-CG 3.64Å; I272-E422 WeakPolarHBondContact CD1-OE2 3.04Å; R273-E422 IonicContact CZ-OE1 3.49Å; R273-E422 IonicContact NE-OE1 2.83Å; R273-E422 PolarHBondContact NE-OE1 2.66Å; R273-E422 IonicContact NE-OE2 3.61Å; R273-E422 IonicContact NH2-OE1 3.36Å; R273-E422 PolarHBondContact NH2-OE1 3.21Å; F309-E422 HydrophobicContact CE1-CG 4.22Å; F309-E422 HydrophobicContact CZ-CG 4.45Å; D418-E422 PolarHBondContact O-N 3.48Å; F419-E422 PolarHBondContact O-N 2.73Å; E422-A425 PolarHBondContact O-N 2.97Å; E422-K426 WeakPolarHBondContact O-CG 3.19Å; E422-K426 PolarHBondContact O-N 3.02Å; E422-K426 VanDerWaalsContact O-N 3.1Å |
| 423 | A | 86.1 | Confident | 90.2 | Very high | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.008 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -64.1 | -42 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F419 A425 K426 A427 L599 | F419-A423 HydrophobicContact CD1-CB 4.4Å; F419-A423 HydrophobicContact CE1-CB 3.93Å; F419-A423 HydrophobicContact CZ-CB 4.41Å; F419-A423 WeakPolarHBondContact O-CB 3.29Å; F419-A423 PolarHBondContact O-N 2.68Å; A423-A425 PolarHBondContact O-N 2.86Å; A423-K426 PolarHBondContact O-N 2.81Å; A423-A427 WeakPolarHBondContact O-CB 3.4Å; A423-A427 PolarHBondContact O-N 2.72Å; A423-L599 HydrophobicContact CB-CD1 4.39Å |
| 424 | L | 90.8 | Very high | 90.2 | Very high | 10 Ų | 10 | 30 Ų | 30 | 5% | 0.052 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.3 | -44.3 | 174.2 | 176.5 | 63.4 | 0 | 0 | 0 | 112 | L356 F392 A420 V421 A427 T428 V603 L607 W619 | L356-L424 HydrophobicContact CD1-CD2 4.17Å; L356-L424 HydrophobicContact CD1-CG 4.11Å; L356-L424 HydrophobicContact CD2-CD2 3.91Å; F392-L424 HydrophobicContact CE2-CD2 3.87Å; F392-L424 HydrophobicContact CZ-CD2 4.38Å; A420-L424 VanDerWaalsContact O-CB 3.28Å; A420-L424 WeakPolarHBondContact O-CB 3.16Å; A420-L424 PolarHBondContact O-N 3.44Å; A420-L424 VanDerWaalsContact O-N 3.09Å; V421-L424 PolarHBondContact O-N 2.69Å; L424-A427 PolarHBondContact O-N 3.41Å; L424-T428 VanDerWaalsContact O-CB 3.29Å; L424-T428 WeakPolarHBondContact O-CB 3.43Å; L424-T428 PolarHBondContact O-N 3.2Å; L424-T428 PolarHBondContact O-OG1 3.41Å; L424-V603 HydrophobicContact CD1-CG1 4.2Å; L424-V603 HydrophobicContact CD2-CG1 3.9Å; L424-L607 HydrophobicContact CD1-CD1 3.55Å; L424-W619 HydrophobicContact CD1-CH2 4.14Å; L424-W619 HydrophobicContact CD1-CZ2 4Å |
| 425 | A | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -62.6 | -47.9 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112 | I272 F309 V353 L356 V421 E422 A423 A427 T428 Y429 | I272-A425 HydrophobicContact CG2-CB 3.7Å; F309-A425 HydrophobicContact CE2-CB 3.55Å; F309-A425 HydrophobicContact CZ-CB 3.98Å; V353-A425 HydrophobicContact CG1-CB 4.41Å; L356-A425 HydrophobicContact CB-CB 4.44Å; L356-A425 HydrophobicContact CD1-CB 3.93Å; V421-A425 WeakPolarHBondContact O-CB 3.2Å; V421-A425 PolarHBondContact O-N 2.72Å; E422-A425 PolarHBondContact O-N 2.97Å; A423-A425 PolarHBondContact O-N 2.86Å; A425-A427 PolarHBondContact O-N 2.63Å; A425-T428 PolarHBondContact O-N 3Å; A425-Y429 PolarHBondContact O-N 3.23Å; A425-Y429 VanDerWaalsContact O-N 3.08Å |
| 426 | K | 88.9 | Confident | 90.7 | Very high | 17 Ų | 17 | 24.8 Ų | 24.8 | 7% | 0.074 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -54.5 | -51.2 | 174.4 | -67.4 | 168 | -163.2 | 160 | 0 | 111.8 | K268 I272 E422 A423 Y429 E430 | K268-K426 HydrophobicContact CB-CB 4.22Å; K268-K426 HydrophobicContact CD-CB 4.14Å; K268-K426 HydrophobicContact CG-CB 4.11Å; K268-K426 HydrophobicContact CG-CG 4.44Å; I272-K426 VanDerWaalsContact CD1-CE 3.41Å; I272-K426 HydrophobicContact CG1-CG 4.48Å; I272-K426 HydrophobicContact CG2-CG 4.38Å; E422-K426 WeakPolarHBondContact O-CG 3.19Å; E422-K426 PolarHBondContact O-N 3.02Å; E422-K426 VanDerWaalsContact O-N 3.1Å; A423-K426 PolarHBondContact O-N 2.81Å; K426-Y429 PolarHBondContact O-N 2.73Å; K426-E430 PolarHBondContact O-N 3.25Å |
| 427 | A | 88.4 | Confident | 90.9 | Very high | 8 Ų | 8 | 21.9 Ų | 21.9 | 7% | 0.066 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -70.7 | -34.6 | -175.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | A423 L424 A425 E430 R431 L599 W619 | A423-A427 WeakPolarHBondContact O-CB 3.4Å; A423-A427 PolarHBondContact O-N 2.72Å; L424-A427 PolarHBondContact O-N 3.41Å; A425-A427 PolarHBondContact O-N 2.63Å; A427-E430 PolarHBondContact O-N 2.97Å; A427-R431 WeakPolarHBondContact O-CB 3.14Å; A427-R431 WeakPolarHBondContact O-CG 3.46Å; A427-R431 PolarHBondContact O-N 2.62Å; A427-L599 HydrophobicContact CB-CD1 4.12Å; A427-L599 HydrophobicContact CB-CD2 3.73Å; A427-L599 HydrophobicContact CB-CG 4.46Å; A427-W619 HydrophobicContact CB-CH2 4.04Å |
| 428 | T | 92.7 | Very high | 91 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.018 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.4 | -46.3 | 172.6 | -57.8 | 0 | 0 | 0 | 0 | 110.4 | V349 V353 M385 L424 A425 R431 L432 | V349-T428 HydrophobicContact CG1-CG2 3.5Å; V353-T428 HydrophobicContact CG2-CG2 3.7Å; M385-T428 HydrophobicContact CE-CG2 4.24Å; L424-T428 VanDerWaalsContact O-CB 3.29Å; L424-T428 WeakPolarHBondContact O-CB 3.43Å; L424-T428 PolarHBondContact O-N 3.2Å; L424-T428 PolarHBondContact O-OG1 3.41Å; A425-T428 PolarHBondContact O-N 3Å; T428-R431 PolarHBondContact O-N 3.37Å; T428-L432 WeakPolarHBondContact O-CB 3.45Å; T428-L432 PolarHBondContact O-N 3.48Å |
| 429 | Y | 94.6 | Very high | 91.2 | Very high | 1 Ų | 1 | 26.6 Ų | 26.6 | 0% | 0.004 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.7 | -41.3 | 178.6 | -161.8 | -97.2 | 0 | 0 | 0 | 112.5 | F228 L266 A271 F281 I283 F284 V353 A425 K426 L432 F433 | F228-Y429 WeakPolarHBondContact CA-OH 3.48Å; F228-Y429 WeakPolarHBondContact O-CE1 3.21Å; F228-Y429 PolarHBondContact O-OH 2.77Å; L266-Y429 HydrophobicContact CD2-CD1 4.05Å; L266-Y429 HydrophobicContact CD2-CE1 4.3Å; A271-Y429 HydrophobicContact CB-CD1 4.39Å; A271-Y429 HydrophobicContact CB-CG 4.3Å; F281-Y429 HydrophobicContact CB-CE1 4.38Å; F281-Y429 WeakPolarHBondContact CB-OH 3.27Å; F281-Y429 HydrophobicContact CD1-CE1 4.19Å; F281-Y429 HydrophobicContact CD2-CD1 4.26Å; F281-Y429 AromaticContact CD2-CE1 3.54Å; F281-Y429 HydrophobicContact CD2-CE1 3.54Å; F281-Y429 AromaticContact CD2-CZ 3.86Å; F281-Y429 HydrophobicContact CE1-CE1 4.35Å; F281-Y429 HydrophobicContact CE2-CD1 4.15Å; F281-Y429 AromaticContact CE2-CE1 3.74Å; F281-Y429 HydrophobicContact CE2-CE1 3.74Å; F281-Y429 AromaticContact CG-CE1 3.77Å; F281-Y429 HydrophobicContact CG-CE1 3.77Å; F281-Y429 AromaticContact CG-CZ 3.87Å; F281-Y429 WeakPolarHBondContact CG-OH 3.46Å; F281-Y429 HydrophobicContact CZ-CE1 4.15Å; I283-Y429 HydrophobicContact CG2-CE2 4.4Å; I283-Y429 WeakPolarHBondContact CG2-OH 3.37Å; F284-Y429 HydrophobicContact CE1-CD2 4.47Å; F284-Y429 HydrophobicContact CE1-CE2 4.24Å; F284-Y429 HydrophobicContact CE2-CD2 4.1Å; F284-Y429 AromaticContact CE2-CE2 3.54Å; F284-Y429 HydrophobicContact CE2-CE2 3.54Å; F284-Y429 AromaticContact CE2-CZ 3.93Å; F284-Y429 AromaticContact CZ-CD2 3.56Å; F284-Y429 HydrophobicContact CZ-CD2 3.56Å; F284-Y429 AromaticContact CZ-CE2 3.36Å; F284-Y429 HydrophobicContact CZ-CE2 3.36Å; V353-Y429 HydrophobicContact CG1-CD2 4.43Å; A425-Y429 PolarHBondContact O-N 3.23Å; A425-Y429 VanDerWaalsContact O-N 3.08Å; K426-Y429 PolarHBondContact O-N 2.73Å; Y429-L432 PolarHBondContact O-N 2.93Å; Y429-F433 PolarHBondContact O-N 3.02Å |
| 430 | E | 89.7 | Confident | 91.5 | Very high | 36 Ų | 36 | 24 Ų | 24 | 17% | 0.168 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -64 | -42.9 | 176 | -163.7 | -165.1 | 151.6 | 0 | 0 | 112.4 | L266 K268 K426 A427 F433 R434 | L266-E430 HydrophobicContact CD2-CG 4.47Å; K268-E430 HydrophobicContact CD-CB 4.28Å; K268-E430 HydrophobicContact CD-CG 4.47Å; K268-E430 WeakPolarHBondContact CD-OE2 3.3Å; K268-E430 WeakPolarHBondContact CE-OE2 3.19Å; K268-E430 IonicContact NZ-OE2 3.74Å; K268-E430 PolarHBondContact NZ-OE2 3.33Å; K426-E430 PolarHBondContact O-N 3.25Å; A427-E430 PolarHBondContact O-N 2.97Å; E430-F433 PolarHBondContact O-N 2.82Å; E430-R434 WeakPolarHBondContact O-CG 3.15Å; E430-R434 PolarHBondContact O-N 3.35Å; E430-R434 IonicContact OE1-CZ 2.8Å; E430-R434 IonicContact OE1-NE 2.82Å; E430-R434 PolarHBondContact OE1-NE 3.1Å; E430-R434 IonicContact OE1-NH2 3.3Å; E430-R434 PolarHBondContact OE1-NH2 2.86Å |
| 431 | R | 91.4 | Very high | 91.8 | Very high | 47 Ų | 47 | 24.3 Ų | 24.3 | 18% | 0.177 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -62.6 | -42.9 | 175.6 | -77.5 | 174.3 | 173.1 | -96.6 | -1.9 | 111.4 | A427 T428 R434 W435 L618 D621 | A427-R431 WeakPolarHBondContact O-CB 3.14Å; A427-R431 WeakPolarHBondContact O-CG 3.46Å; A427-R431 PolarHBondContact O-N 2.62Å; T428-R431 PolarHBondContact O-N 3.37Å; R431-R434 PolarHBondContact O-N 2.71Å; R431-W435 WeakPolarHBondContact O-CB 3.45Å; R431-W435 PolarHBondContact O-N 3.28Å; R431-L618 WeakPolarHBondContact CD-O 2.98Å; R431-L618 PolarHBondContact NH1-O 2.89Å; R431-D621 PolarHBondContact NH2-O 2.83Å |
| 432 | L | 94.9 | Very high | 91.7 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.2 | -47.9 | 174.8 | -178.4 | 64.2 | 0 | 0 | 0 | 111.8 | F228 I346 V349 V350 T428 Y429 R434 W435 I436 F614 L618 | F228-L432 HydrophobicContact CD1-CD2 4.44Å; F228-L432 HydrophobicContact CE1-CD2 4.09Å; I346-L432 HydrophobicContact CB-CD1 4.46Å; I346-L432 HydrophobicContact CG1-CD1 4.18Å; I346-L432 HydrophobicContact CG2-CD1 4.29Å; I346-L432 HydrophobicContact CG2-CD2 4.47Å; V349-L432 HydrophobicContact CB-CD1 4.49Å; V349-L432 HydrophobicContact CB-CD2 4.25Å; V349-L432 HydrophobicContact CG1-CB 4.37Å; V349-L432 HydrophobicContact CG1-CD1 4.44Å; V349-L432 HydrophobicContact CG1-CD2 3.99Å; V350-L432 HydrophobicContact CG2-CD2 3.72Å; T428-L432 WeakPolarHBondContact O-CB 3.45Å; T428-L432 PolarHBondContact O-N 3.48Å; Y429-L432 PolarHBondContact O-N 2.93Å; L432-R434 PolarHBondContact O-N 2.66Å; L432-W435 WeakPolarHBondContact O-CB 3.33Å; L432-W435 PolarHBondContact O-N 2.99Å; L432-I436 HydrophobicContact CD1-CD1 4.23Å; L432-I436 HydrophobicContact CD1-CG1 4.49Å; L432-I436 HydrophobicContact CG-CD1 3.99Å; L432-I436 WeakPolarHBondContact O-CG1 2.98Å; L432-I436 PolarHBondContact O-N 3.26Å; L432-F614 HydrophobicContact CD1-CE1 3.86Å; L432-F614 HydrophobicContact CD1-CZ 3.71Å; L432-L618 HydrophobicContact CD1-CD1 4.38Å |
| 433 | F | 94.1 | Very high | 91.6 | Very high | 3 Ų | 3 | 31 Ų | 31 | 1% | 0.013 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.7 | -44.1 | 179.4 | -172.3 | -103.7 | 0 | 0 | 0 | 112.5 | L225 F228 F242 T263 L266 Y429 E430 W435 I436 L437 | L225-F433 HydrophobicContact CD2-CE2 4.3Å; L225-F433 HydrophobicContact CD2-CZ 4.34Å; F228-F433 HydrophobicContact CB-CD2 3.81Å; F228-F433 HydrophobicContact CB-CE2 4.12Å; F242-F433 HydrophobicContact CB-CE1 4.49Å; F242-F433 HydrophobicContact CD1-CZ 4.12Å; F242-F433 HydrophobicContact CD2-CE1 4.06Å; F242-F433 AromaticContact CD2-CZ 3.69Å; F242-F433 HydrophobicContact CD2-CZ 3.69Å; F242-F433 HydrophobicContact CE1-CZ 4.23Å; F242-F433 AromaticContact CE2-CZ 3.77Å; F242-F433 HydrophobicContact CE2-CZ 3.77Å; F242-F433 HydrophobicContact CG-CE1 4.25Å; F242-F433 AromaticContact CG-CZ 3.86Å; F242-F433 HydrophobicContact CG-CZ 3.86Å; F242-F433 HydrophobicContact CZ-CZ 4.07Å; T263-F433 HydrophobicContact CG2-CE1 4.32Å; L266-F433 HydrophobicContact CD1-CD1 4.16Å; L266-F433 HydrophobicContact CD1-CE1 4.18Å; L266-F433 HydrophobicContact CD1-CG 4.32Å; L266-F433 HydrophobicContact CD1-CZ 4.36Å; L266-F433 HydrophobicContact CD2-CB 3.8Å; L266-F433 HydrophobicContact CD2-CD1 3.97Å; L266-F433 HydrophobicContact CD2-CG 3.9Å; L266-F433 HydrophobicContact CG-CD1 4.46Å; Y429-F433 PolarHBondContact O-N 3.02Å; E430-F433 PolarHBondContact O-N 2.82Å; F433-W435 VanDerWaalsContact C-N 3.31Å; F433-W435 PolarHBondContact O-N 3.3Å; F433-I436 PolarHBondContact O-N 2.63Å; F433-L437 PolarHBondContact O-N 2.98Å |
| 434 | R | 90.5 | Very high | 91.7 | Very high | 116 Ų | 116 | 31 Ų | 31 | 44% | 0.438 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -61 | -37.8 | 174.5 | -72 | 172 | 177.6 | -108.8 | 9.2 | 112.3 | E430 R431 L432 T438 | E430-R434 WeakPolarHBondContact O-CG 3.15Å; E430-R434 PolarHBondContact O-N 3.35Å; E430-R434 IonicContact OE1-CZ 2.8Å; E430-R434 IonicContact OE1-NE 2.82Å; E430-R434 PolarHBondContact OE1-NE 3.1Å; E430-R434 IonicContact OE1-NH2 3.3Å; E430-R434 PolarHBondContact OE1-NH2 2.86Å; R431-R434 PolarHBondContact O-N 2.71Å; L432-R434 PolarHBondContact O-N 2.66Å; R434-T438 PolarHBondContact O-N 3.17Å; R434-T438 VanDerWaalsContact O-N 3.11Å; R434-T438 PolarHBondContact O-OG1 2.9Å |
| 435 | W | 94.2 | Very high | 91.3 | Very high | 53 Ų | 53 | 34.7 Ų | 34.7 | 20% | 0.201 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.7 | -47.2 | 174.9 | -174.4 | 102.6 | 0 | 0 | 0 | 111.6 | F338 E342 I346 R431 L432 F433 L437 T438 R439 F614 L618 | F338-W435 HydrophobicContact CD2-CZ3 4.49Å; F338-W435 HydrophobicContact CE2-CZ3 4.02Å; E342-W435 HydrophobicContact CG-CH2 4.3Å; I346-W435 HydrophobicContact CD1-CZ3 4.04Å; I346-W435 HydrophobicContact CG1-CZ3 4.41Å; R431-W435 WeakPolarHBondContact O-CB 3.45Å; R431-W435 PolarHBondContact O-N 3.28Å; L432-W435 WeakPolarHBondContact O-CB 3.33Å; L432-W435 PolarHBondContact O-N 2.99Å; F433-W435 VanDerWaalsContact C-N 3.31Å; F433-W435 PolarHBondContact O-N 3.3Å; W435-L437 VanDerWaalsContact C-N 3.32Å; W435-L437 PolarHBondContact O-N 2.84Å; W435-T438 WeakPolarHBondContact O-CB 2.96Å; W435-T438 PolarHBondContact O-N 3.2Å; W435-T438 VanDerWaalsContact O-N 3.13Å; W435-R439 HydrophobicContact CE3-CB 4.08Å; W435-R439 HydrophobicContact CH2-CB 4.01Å; W435-R439 HydrophobicContact CH2-CG 3.69Å; W435-R439 HydrophobicContact CZ2-CG 4.43Å; W435-R439 HydrophobicContact CZ3-CB 3.75Å; W435-R439 HydrophobicContact CZ3-CG 3.78Å; W435-R439 WeakPolarHBondContact O-CB 2.9Å; W435-R439 PolarHBondContact O-N 3.47Å; W435-F614 AromaticContact CD2-CE2 3.85Å; W435-F614 HydrophobicContact CD2-CE2 3.85Å; W435-F614 HydrophobicContact CD2-CZ 4.33Å; W435-F614 AromaticContact CE2-CE2 3.7Å; W435-F614 AromaticContact CE3-CE2 3.94Å; W435-F614 HydrophobicContact CE3-CE2 3.94Å; W435-F614 HydrophobicContact CE3-CZ 4.21Å; W435-F614 AromaticContact CH2-CE2 3.88Å; W435-F614 HydrophobicContact CH2-CE2 3.88Å; W435-F614 HydrophobicContact CZ2-CD2 4.32Å; W435-F614 AromaticContact CZ2-CE2 3.73Å; W435-F614 HydrophobicContact CZ2-CE2 3.73Å; W435-F614 AromaticContact CZ3-CE2 3.98Å; W435-F614 HydrophobicContact CZ3-CE2 3.98Å; W435-F614 HydrophobicContact CZ3-CZ 4.44Å; W435-L618 HydrophobicContact CB-CD2 3.49Å; W435-L618 VanDerWaalsContact CB-CD2 3.49Å; W435-L618 HydrophobicContact CG-CD2 3.81Å |
| 436 | I | 94.7 | Very high | 90.2 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -57.9 | -45.4 | 178.1 | -70.3 | 169 | 0 | 0 | 0 | 110.5 | I224 F228 F338 I346 L432 F433 T438 R439 V440 | I224-I436 HydrophobicContact CG2-CG2 3.8Å; F228-I436 HydrophobicContact CD1-CD1 3.58Å; F228-I436 HydrophobicContact CD2-CD1 4.13Å; F228-I436 HydrophobicContact CE1-CD1 3.52Å; F228-I436 HydrophobicContact CE2-CD1 4.09Å; F228-I436 HydrophobicContact CG-CD1 3.89Å; F228-I436 HydrophobicContact CZ-CD1 3.8Å; F338-I436 HydrophobicContact CE2-CG2 4.48Å; F338-I436 HydrophobicContact CZ-CG2 4.32Å; I346-I436 HydrophobicContact CD1-CG1 4.38Å; I346-I436 HydrophobicContact CG2-CD1 4.17Å; L432-I436 HydrophobicContact CD1-CD1 4.23Å; L432-I436 HydrophobicContact CD1-CG1 4.49Å; L432-I436 HydrophobicContact CG-CD1 3.99Å; L432-I436 WeakPolarHBondContact O-CG1 2.98Å; L432-I436 PolarHBondContact O-N 3.26Å; F433-I436 PolarHBondContact O-N 2.63Å; I436-T438 PolarHBondContact O-N 3.49Å; I436-R439 PolarHBondContact O-N 2.77Å; I436-V440 WeakPolarHBondContact O-CB 3.14Å; I436-V440 WeakPolarHBondContact O-CG2 3.39Å; I436-V440 PolarHBondContact O-N 3Å |
| 437 | L | 92.1 | Very high | 89 | Confident | 13 Ų | 13 | 41.1 Ų | 41.1 | 7% | 0.068 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -60.3 | -44.7 | 176.1 | -172.2 | 72.7 | 0 | 0 | 0 | 112.3 | L225 I261 T263 F433 W435 R439 V440 N441 | L225-L437 HydrophobicContact CD1-CD1 4.07Å; L225-L437 HydrophobicContact CD2-CD1 3.82Å; I261-L437 HydrophobicContact CB-CD1 3.87Å; I261-L437 HydrophobicContact CG2-CD1 3.81Å; T263-L437 HydrophobicContact CG2-CD2 3.41Å; T263-L437 VanDerWaalsContact CG2-CD2 3.41Å; F433-L437 PolarHBondContact O-N 2.98Å; W435-L437 VanDerWaalsContact C-N 3.32Å; W435-L437 PolarHBondContact O-N 2.84Å; L437-R439 VanDerWaalsContact C-N 3.29Å; L437-R439 PolarHBondContact O-N 3.36Å; L437-V440 PolarHBondContact O-N 3.08Å; L437-N441 VanDerWaalsContact O-CG 3.28Å; L437-N441 PolarHBondContact O-N 3.08Å |
| 438 | T | 91.3 | Very high | 87.7 | Confident | 94 Ų | 94 | 50.1 Ų | 50.1 | 58% | 0.577 | 24% | 0.235 | S | C | * | . | H | α-helix | trans | -62.4 | -38.5 | 176.8 | -55 | 0 | 0 | 0 | 0 | 111.3 | R434 W435 I436 K442 | R434-T438 PolarHBondContact O-N 3.17Å; R434-T438 VanDerWaalsContact O-N 3.11Å; R434-T438 PolarHBondContact O-OG1 2.9Å; W435-T438 WeakPolarHBondContact O-CB 2.96Å; W435-T438 PolarHBondContact O-N 3.2Å; W435-T438 VanDerWaalsContact O-N 3.13Å; I436-T438 PolarHBondContact O-N 3.49Å; T438-K442 WeakPolarHBondContact O-CB 3.42Å; T438-K442 PolarHBondContact O-N 2.92Å |
| 439 | R | 93.2 | Very high | 86.3 | Confident | 50 Ų | 50 | 59.6 Ų | 59.6 | 19% | 0.189 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -70.4 | -35.4 | 177.8 | -172.2 | 62.5 | 173.4 | 75.7 | 3.8 | 112.8 | G337 F338 E342 W435 I436 L437 A443 | G337-R439 PolarHBondContact O-NH2 2.76Å; F338-R439 HydrophobicContact CD1-CG 4.13Å; F338-R439 HydrophobicContact CD2-CG 4.41Å; F338-R439 HydrophobicContact CE1-CB 4.26Å; F338-R439 HydrophobicContact CE1-CG 3.64Å; F338-R439 HydrophobicContact CE2-CB 4.38Å; F338-R439 HydrophobicContact CE2-CG 3.97Å; F338-R439 HydrophobicContact CG-CG 4.49Å; F338-R439 HydrophobicContact CZ-CB 3.83Å; F338-R439 HydrophobicContact CZ-CG 3.55Å; E342-R439 IonicContact OE1-CZ 2.82Å; E342-R439 IonicContact OE1-NE 3.7Å; E342-R439 PolarHBondContact OE1-NE 2.79Å; E342-R439 IonicContact OE1-NH2 2.66Å; E342-R439 PolarHBondContact OE1-NH2 2.96Å; E342-R439 IonicContact OE2-CZ 3.22Å; E342-R439 IonicContact OE2-NE 3.1Å; E342-R439 IonicContact OE2-NH2 3.66Å; E342-R439 PolarHBondContact OE2-NH2 2.93Å; W435-R439 HydrophobicContact CE3-CB 4.08Å; W435-R439 HydrophobicContact CH2-CB 4.01Å; W435-R439 HydrophobicContact CH2-CG 3.69Å; W435-R439 HydrophobicContact CZ2-CG 4.43Å; W435-R439 HydrophobicContact CZ3-CB 3.75Å; W435-R439 HydrophobicContact CZ3-CG 3.78Å; W435-R439 WeakPolarHBondContact O-CB 2.9Å; W435-R439 PolarHBondContact O-N 3.47Å; I436-R439 PolarHBondContact O-N 2.77Å; L437-R439 VanDerWaalsContact C-N 3.29Å; L437-R439 PolarHBondContact O-N 3.36Å; R439-A443 PolarHBondContact O-N 2.85Å |
| 440 | V | 93.8 | Very high | 84.9 | Confident | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -64.8 | -52.5 | 170.8 | 160.7 | 0 | 0 | 0 | 0 | 110.5 | A221 I261 M336 F338 I436 L437 K442 A443 L444 | A221-V440 HydrophobicContact CB-CG1 3.89Å; I261-V440 HydrophobicContact CD1-CG1 4.14Å; M336-V440 HydrophobicContact CE-CB 4.24Å; M336-V440 HydrophobicContact CE-CG1 3.96Å; M336-V440 HydrophobicContact CE-CG2 4.22Å; F338-V440 HydrophobicContact CE1-CG2 4.22Å; F338-V440 HydrophobicContact CZ-CG2 4.11Å; I436-V440 WeakPolarHBondContact O-CB 3.14Å; I436-V440 WeakPolarHBondContact O-CG2 3.39Å; I436-V440 PolarHBondContact O-N 3Å; L437-V440 PolarHBondContact O-N 3.08Å; V440-K442 VanDerWaalsContact C-N 3.31Å; V440-K442 PolarHBondContact O-N 3.35Å; V440-A443 WeakPolarHBondContact O-CB 3.2Å; V440-A443 PolarHBondContact O-N 2.59Å; V440-L444 HydrophobicContact CG1-CD1 3.87Å; V440-L444 HydrophobicContact CG1-CG 4.47Å; V440-L444 WeakPolarHBondContact O-CG 3.24Å; V440-L444 PolarHBondContact O-N 3.06Å; V440-L444 VanDerWaalsContact O-N 3.12Å |
| 441 | N | 92 | Very high | 83.8 | Confident | 22 Ų | 22 | 66.8 Ų | 66.8 | 12% | 0.118 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.6 | -40.2 | -179 | -67.3 | -15.9 | 0 | 0 | 0 | 111.6 | N260 I261 L437 A443 L444 D445 | N260-N441 VanDerWaalsContact OD1-CG 3.31Å; N260-N441 PolarHBondContact OD1-ND2 2.87Å; I261-N441 WeakPolarHBondContact CB-OD1 3.5Å; I261-N441 PolarHBondContact N-OD1 3.25Å; I261-N441 PolarHBondContact O-ND2 3.43Å; L437-N441 VanDerWaalsContact O-CG 3.28Å; L437-N441 PolarHBondContact O-N 3.08Å; N441-A443 PolarHBondContact O-N 2.74Å; N441-L444 PolarHBondContact O-N 2.86Å; N441-L444 VanDerWaalsContact O-N 3.09Å; N441-D445 WeakPolarHBondContact O-CB 3.29Å; N441-D445 PolarHBondContact O-N 3.5Å |
| 442 | K | 90 | Very high | 83.1 | Confident | 166 Ų | 166 | 67.7 Ų | 67.7 | 72% | 0.722 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -60.7 | -25.2 | 173.8 | -174.6 | 175.5 | 179.4 | -177.4 | 0 | 114.1 | T438 V440 | T438-K442 WeakPolarHBondContact O-CB 3.42Å; T438-K442 PolarHBondContact O-N 2.92Å; V440-K442 VanDerWaalsContact C-N 3.31Å; V440-K442 PolarHBondContact O-N 3.35Å |
| 443 | A | 87.8 | Confident | 82.8 | Confident | 11 Ų | 11 | 68.1 Ų | 68.1 | 9% | 0.091 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -88.1 | -22.1 | 176 | 0 | 0 | 0 | 0 | 0 | 113.2 | M336 R439 V440 N441 | M336-A443 HydrophobicContact CE-CB 3.82Å; R439-A443 PolarHBondContact O-N 2.85Å; V440-A443 WeakPolarHBondContact O-CB 3.2Å; V440-A443 PolarHBondContact O-N 2.59Å; N441-A443 PolarHBondContact O-N 2.74Å |
| 444 | L | 88.6 | Confident | 82.7 | Confident | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -87.6 | -31.1 | 175.6 | -62.9 | 174.8 | 0 | 0 | 0 | 112.6 | L214 Q217 L218 A221 G258 A259 I261 M336 V440 N441 K446 | L214-L444 HydrophobicContact CD1-CB 4.39Å; L214-L444 HydrophobicContact CD1-CD2 4.1Å; L214-L444 VanDerWaalsContact CD1-O 3.23Å; L214-L444 WeakPolarHBondContact CD1-O 3.4Å; Q217-L444 HydrophobicContact CB-CD2 4.03Å; L218-L444 HydrophobicContact CB-CD2 4.19Å; L218-L444 HydrophobicContact CD1-CD1 4.36Å; L218-L444 HydrophobicContact CD1-CD2 4.47Å; A221-L444 HydrophobicContact CB-CD1 4.42Å; G258-L444 WeakPolarHBondContact CA-O 3.19Å; A259-L444 HydrophobicContact CB-CB 4.26Å; A259-L444 HydrophobicContact CB-CD1 4.27Å; A259-L444 PolarHBondContact N-O 2.77Å; A259-L444 WeakPolarHBondContact O-CB 3.2Å; I261-L444 HydrophobicContact CD1-CD1 4.12Å; I261-L444 HydrophobicContact CG1-CD1 4.27Å; M336-L444 HydrophobicContact CE-CD2 4.11Å; M336-L444 HydrophobicContact CE-CG 4.11Å; V440-L444 HydrophobicContact CG1-CD1 3.87Å; V440-L444 HydrophobicContact CG1-CG 4.47Å; V440-L444 WeakPolarHBondContact O-CG 3.24Å; V440-L444 PolarHBondContact O-N 3.06Å; V440-L444 VanDerWaalsContact O-N 3.12Å; N441-L444 PolarHBondContact O-N 2.86Å; N441-L444 VanDerWaalsContact O-N 3.09Å; L444-K446 VanDerWaalsContact C-N 3.29Å; L444-K446 PolarHBondContact O-N 2.88Å; L444-K446 VanDerWaalsContact O-N 3.11Å |
| 445 | D | 82 | Confident | 82.9 | Confident | 88 Ų | 88 | 62.9 Ų | 62.9 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | trans | -88.1 | 60 | -180 | -162.5 | 34.8 | 0 | 0 | 0 | 112.1 | N441 T447 | N441-D445 WeakPolarHBondContact O-CB 3.29Å; N441-D445 PolarHBondContact O-N 3.5Å; D445-T447 VanDerWaalsContact C-N 3.33Å; D445-T447 PolarHBondContact O-N 2.83Å | ||
| 446 | K | 69.5 | Low | 82.9 | Confident | 94 Ų | 94 | 60.4 Ų | 60.4 | 41% | 0.409 | 30% | 0.301 | S | S | . | . | trans | -76.3 | -10.5 | -172.5 | -89.3 | 173.6 | 168.7 | 176.8 | 0 | 115.6 | E213 L444 | E213-K446 IonicContact OE1-NZ 3.74Å; E213-K446 PolarHBondContact OE1-NZ 3.37Å; E213-K446 IonicContact OE2-NZ 3.55Å; L444-K446 VanDerWaalsContact C-N 3.29Å; L444-K446 PolarHBondContact O-N 2.88Å; L444-K446 VanDerWaalsContact O-N 3.11Å | ||
| 447 | T | 64.4 | Low | 82.9 | Confident | 58 Ų | 58 | 60.4 Ų | 60.4 | 36% | 0.356 | 30% | 0.301 | S | S | . | . | trans | -133.8 | 129 | 179.5 | 69.5 | 0 | 0 | 0 | 0 | 110.8 | V257 D445 R449 | V257-T447 PolarHBondContact O-OG1 2.82Å; D445-T447 VanDerWaalsContact C-N 3.33Å; D445-T447 PolarHBondContact O-N 2.83Å; T447-R449 PolarHBondContact O-N 3.3Å | ||
| 448 | H | 60 | Low | 82.9 | Confident | 197 Ų | 197 | 59.8 Ų | 59.8 | 91% | 0.912 | 30% | 0.298 | S | S | * | . | trans | -66.1 | 11.1 | 175.7 | -58.4 | -59 | 0 | 0 | 0 | 114.3 | Q450 | H448-Q450 PolarHBondContact O-N 3.3Š| ||
| 449 | R | 63.2 | Low | 82.7 | Confident | 202 Ų | 202 | 55.3 Ų | 55.3 | 76% | 0.762 | 27% | 0.27 | S | S | * | . | trans | -83.5 | 108.2 | 175.7 | -70.2 | -176.3 | 172.4 | -155.5 | -7.2 | 108.6 | T447 G451 | T447-R449 PolarHBondContact O-N 3.3Å; R449-G451 PolarHBondContact O-N 3.16Å | ||
| 450 | Q | 64.6 | Low | 82.2 | Confident | 168 Ų | 168 | 53.4 Ų | 53.4 | 79% | 0.785 | 26% | 0.264 | S | S | * | . | trans | -55 | 128.1 | 166.5 | -67 | 175.4 | -18.1 | 0 | 0 | 108.8 | H448 | H448-Q450 PolarHBondContact O-N 3.3Š| ||
| 451 | G | 68.1 | Low | 81.4 | Confident | 21 Ų | 21 | 53.6 Ų | 53.6 | 22% | 0.216 | 27% | 0.266 | C | S | . | . | trans | -63 | 147.7 | 174.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | F250 R449 S453 | F250-G451 CarbonylContact O-C 3.58Å; F250-G451 WeakPolarHBondContact O-CA 3.32Å; R449-G451 PolarHBondContact O-N 3.16Å; G451-S453 VanDerWaalsContact C-N 3.3Å | ||
| 452 | A | 76.4 | Confident | 80.6 | Confident | 65 Ų | 65 | 52.6 Ų | 52.6 | 54% | 0.537 | 26% | 0.261 | S | S | . | . | S | Bend | trans | -74.7 | -26.1 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | F250 V252 | F250-A452 PolarHBondContact O-N 2.86Å; V252-A452 HydrophobicContact CG2-CB 3.61Å |
| 453 | S | 88.2 | Confident | 80.3 | Confident | 9 Ų | 9 | 44.9 Ų | 44.9 | 6% | 0.063 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.5 | 166.6 | 172.2 | 55.3 | 0 | 0 | 0 | 0 | 110.5 | M165 D171 F250 G451 | M165-S453 WeakPolarHBondContact CG-OG 3.33Å; D171-S453 WeakPolarHBondContact OD1-CA 3.11Å; F250-S453 PolarHBondContact N-O 3.31Å; G451-S453 VanDerWaalsContact C-N 3.3Å |
| 454 | F | 92 | Very high | 79.9 | Confident | 9 Ų | 9 | 44.3 Ų | 44.3 | 4% | 0.039 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137.4 | 155.3 | 175.5 | 79.3 | -91.7 | 0 | 0 | 0 | 113.9 | D171 Q172 F245 R247 I248 T667 T671 | D171-F454 HydrophobicContact CB-CD1 3.8Å; D171-F454 HydrophobicContact CB-CE1 3.61Å; D171-F454 HydrophobicContact CB-CG 4.4Å; D171-F454 HydrophobicContact CB-CZ 4.05Å; D171-F454 WeakPolarHBondContact OD1-CD1 3.43Å; D171-F454 PolarHBondContact OD1-N 3.48Å; D171-F454 VanDerWaalsContact OD2-CD1 3.25Å; D171-F454 WeakPolarHBondContact OD2-CD1 3.41Å; D171-F454 WeakPolarHBondContact OD2-CE1 3.45Å; Q172-F454 PolarHBondContact N-O 2.79Å; Q172-F454 VanDerWaalsContact N-O 3.14Å; F245-F454 HydrophobicContact CZ-CE2 4.28Å; R247-F454 HydrophobicContact CB-CD2 4.4Å; R247-F454 HydrophobicContact CG-CB 3.91Å; R247-F454 HydrophobicContact CG-CD2 3.64Å; R247-F454 HydrophobicContact CG-CE2 4.36Å; R247-F454 HydrophobicContact CG-CG 3.88Å; I248-F454 CarbonylContact O-C 3.43Å; I248-F454 WeakPolarHBondContact O-CA 3.26Å; I248-F454 WeakPolarHBondContact O-CB 2.95Å; F454-T667 HydrophobicContact CZ-CG2 4.16Å; F454-T671 HydrophobicContact CE1-CG2 4.48Å; F454-T671 HydrophobicContact CE2-CG2 4.02Å; F454-T671 HydrophobicContact CZ-CG2 3.66Å |
| 455 | L | 94.7 | Very high | 79.5 | Confident | 1 Ų | 1 | 47.1 Ų | 47.1 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 118.6 | 166.8 | -172.2 | 82.9 | 0 | 0 | 0 | 109.2 | A161 Q172 I174 L195 I248 F250 I457 | A161-L455 HydrophobicContact CB-CD1 3.89Å; Q172-L455 HydrophobicContact CB-CD1 3.74Å; Q172-L455 CarbonylContact O-C 3.6Å; Q172-L455 VanDerWaalsContact O-CA 3.32Å; Q172-L455 WeakPolarHBondContact O-CA 3.33Å; I174-L455 HydrophobicContact CD1-CD1 4.19Å; I174-L455 HydrophobicContact CD1-CD2 4.05Å; I174-L455 HydrophobicContact CG1-CD1 4.21Å; L195-L455 HydrophobicContact CD1-CD2 3.31Å; L195-L455 HydrophobicContact CD2-CD2 4.43Å; L195-L455 HydrophobicContact CG-CD2 4.49Å; I248-L455 PolarHBondContact N-O 2.9Å; I248-L455 PolarHBondContact O-N 2.94Å; F250-L455 HydrophobicContact CE2-CB 3.73Å; F250-L455 HydrophobicContact CZ-CB 4.39Å; L455-I457 HydrophobicContact CD2-CD1 4.27Å; L455-I457 HydrophobicContact CD2-CG1 4.07Å; L455-I457 HydrophobicContact CG-CG1 4.41Å |
| 456 | G | 94.2 | Very high | 79.4 | Confident | 0 Ų | 0 | 44.6 Ų | 44.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 109.7 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q172 S173 I174 | Q172-G456 PolarHBondContact O-N 2.88Å; S173-G456 CarbonylContact C-O 3.55Å; S173-G456 WeakPolarHBondContact CA-O 3.38Å; S173-G456 WeakPolarHBondContact CB-O 2.85Å; I174-G456 PolarHBondContact N-O 3.5Å |
| 457 | I | 94.7 | Very high | 79.8 | Confident | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 25% | 0.245 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.2 | 120.9 | 179.3 | -47.2 | 164.6 | 0 | 0 | 0 | 109.5 | I174 T188 V191 I192 L195 I246 I248 L455 | I174-I457 WeakPolarHBondContact O-CA 3.29Å; T188-I457 HydrophobicContact CG2-CG2 3.84Å; V191-I457 HydrophobicContact CB-CD1 4.3Å; V191-I457 HydrophobicContact CG1-CD1 3.53Å; V191-I457 HydrophobicContact CG1-CG1 4.11Å; I192-I457 HydrophobicContact CG1-CD1 3.78Å; L195-I457 HydrophobicContact CD1-CD1 4.33Å; I246-I457 HydrophobicContact CB-CB 4.43Å; I246-I457 PolarHBondContact N-O 3.26Å; I246-I457 PolarHBondContact O-N 2.77Å; I248-I457 HydrophobicContact CD1-CD1 3.82Å; L455-I457 HydrophobicContact CD2-CD1 4.27Å; L455-I457 HydrophobicContact CD2-CG1 4.07Å; L455-I457 HydrophobicContact CG-CG1 4.41Å |
| 458 | L | 92.4 | Very high | 80.6 | Confident | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.5 | 123.8 | 178.6 | -176.6 | 66 | 0 | 0 | 0 | 111.5 | I174 L175 C176 F245 L483 L664 L668 | I174-L458 PolarHBondContact O-N 3.41Å; L175-L458 HydrophobicContact CD2-CD2 4.19Å; L175-L458 HydrophobicContact CG-CB 4.4Å; L175-L458 HydrophobicContact CG-CD2 4.4Å; C176-L458 PolarHBondContact N-O 2.93Å; F245-L458 HydrophobicContact CB-CD1 4.26Å; F245-L458 HydrophobicContact CD2-CB 4.19Å; F245-L458 HydrophobicContact CD2-CD1 4.24Å; L458-L483 HydrophobicContact CD2-CD1 3.85Å; L458-L483 HydrophobicContact CD2-CD2 3.63Å; L458-L483 HydrophobicContact CD2-CG 4.42Å; L458-L664 HydrophobicContact CD1-CD1 4.39Å; L458-L664 HydrophobicContact CD1-CD2 4.05Å; L458-L668 HydrophobicContact CD2-CD1 4.04Å |
| 459 | D | 87.5 | Confident | 81.8 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.214 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.3 | 125 | 166.2 | -179.8 | 40 | 0 | 0 | 0 | 109.3 | K184 T185 T188 K244 | K184-D459 VanDerWaalsContact CB-OD1 3.28Å; K184-D459 WeakPolarHBondContact CB-OD1 3.12Å; T185-D459 VanDerWaalsContact CA-OD2 3.29Å; T185-D459 WeakPolarHBondContact CA-OD2 2.94Å; T185-D459 VanDerWaalsContact CB-OD2 3.22Å; T185-D459 WeakPolarHBondContact CB-OD2 2.9Å; T185-D459 WeakPolarHBondContact CG2-OD2 3.31Å; T185-D459 PolarHBondContact N-OD1 3.49Å; T185-D459 VanDerWaalsContact OG1-CG 3.32Å; T185-D459 PolarHBondContact OG1-OD1 3.12Å; T185-D459 PolarHBondContact OG1-OD2 2.96Å; T188-D459 HydrophobicContact CG2-CB 4.08Å; K244-D459 WeakPolarHBondContact CE-OD2 3.21Å; K244-D459 HydrophobicContact CG-CB 3.97Å; K244-D459 PolarHBondContact N-O 3.43Å; K244-D459 IonicContact NZ-OD2 3.96Å; K244-D459 PolarHBondContact O-N 2.87Å |
| 460 | I | 82.6 | Confident | 83 | Confident | 10 Ų | 10 | 33.1 Ų | 33.1 | 5% | 0.051 | 18% | 0.183 | C | C | . | . | trans | -137.5 | 157.3 | -173.8 | -167 | 149.7 | 0 | 0 | 0 | 111.5 | K184 G462 T479 L483 | K184-I460 WeakPolarHBondContact CE-O 3.42Å; I460-G462 PolarHBondContact O-N 2.81Å; I460-T479 HydrophobicContact CD1-CG2 3.47Å; I460-T479 VanDerWaalsContact CD1-CG2 3.47Å; I460-L483 HydrophobicContact CG2-CD1 3.8Å | ||
| 461 | A | 76.9 | Confident | 84.1 | Confident | 5 Ų | 5 | 25.3 Ų | 25.3 | 4% | 0.041 | 15% | 0.146 | C | C | . | . | P | Polyproline II helix | trans | -48.8 | 127.9 | 166.8 | 0 | 0 | 0 | 0 | 0 | 109.6 | S240 I476 N480 | S240-A461 WeakPolarHBondContact O-CB 3.17Å; A461-I476 HydrophobicContact CB-CD1 4.1Å; A461-I476 HydrophobicContact CB-CG1 4.08Å; A461-I476 HydrophobicContact CB-CG2 3.74Å; A461-N480 PolarHBondContact O-ND2 2.72Å |
| 462 | G | 75.4 | Confident | 84.8 | Confident | 1 Ų | 1 | 25.1 Ų | 25.1 | 1% | 0.01 | 14% | 0.14 | C | C | . | . | P | Polyproline II helix | trans | -73.9 | 171.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.8 | G178 I460 E464 I476 | G178-G462 WeakPolarHBondContact O-CA 3.49Å; I460-G462 PolarHBondContact O-N 2.81Å; G462-E464 PolarHBondContact O-N 2.76Å; G462-I476 VanDerWaalsContact O-CG2 3.23Å; G462-I476 WeakPolarHBondContact O-CG2 3.35Å |
| 463 | F | 83.4 | Confident | 85.3 | Confident | 3 Ų | 3 | 22.6 Ų | 22.6 | 1% | 0.013 | 12% | 0.117 | C | C | . | . | P | Polyproline II helix | trans | -55.4 | 134.9 | 169.3 | -156.1 | -82.8 | 0 | 0 | 0 | 110.4 | S180 I465 N477 N480 H579 Y580 A581 V584 | S180-F463 PolarHBondContact N-O 3.32Å; F463-I465 HydrophobicContact CD1-CD1 4.27Å; F463-I465 HydrophobicContact CD1-CG1 3.92Å; F463-I465 HydrophobicContact CE1-CD1 3.89Å; F463-I465 HydrophobicContact CE1-CG1 3.68Å; F463-N477 WeakPolarHBondContact CA-OD1 3.15Å; F463-N477 HydrophobicContact CD2-CB 4.04Å; F463-N477 HydrophobicContact CE2-CB 3.55Å; F463-N477 HydrophobicContact CZ-CB 3.84Å; F463-N480 HydrophobicContact CB-CB 4.34Å; F463-N480 HydrophobicContact CD2-CB 3.88Å; F463-N480 PolarHBondContact N-OD1 2.77Å; F463-H579 HydrophobicContact CE2-CB 3.71Å; F463-H579 AromaticContact CE2-CG 3.81Å; F463-H579 AromaticContact CE2-ND1 3.97Å; F463-H579 HydrophobicContact CZ-CB 3.44Å; F463-H579 VanDerWaalsContact CZ-CB 3.44Å; F463-H579 AromaticContact CZ-CD2 3.87Å; F463-H579 AromaticContact CZ-CG 3.55Å; F463-Y580 HydrophobicContact CD2-CD1 4.41Å; F463-Y580 AromaticContact CD2-CE1 3.62Å; F463-Y580 HydrophobicContact CD2-CE1 3.62Å; F463-Y580 HydrophobicContact CE2-CD1 4.37Å; F463-Y580 HydrophobicContact CE2-CE1 4.01Å; F463-A581 HydrophobicContact CD1-CB 3.69Å; F463-A581 HydrophobicContact CD2-CB 4Å; F463-A581 HydrophobicContact CE1-CB 3.83Å; F463-A581 HydrophobicContact CE2-CB 4.14Å; F463-A581 HydrophobicContact CG-CB 3.79Å; F463-A581 HydrophobicContact CZ-CB 4.07Å; F463-V584 HydrophobicContact CE1-CG2 3.64Å; F463-V584 HydrophobicContact CZ-CG2 3.75Å |
| 464 | E | 78.3 | Confident | 85.4 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.114 | C | C | . | . | trans | -132.8 | 138 | -176.2 | -77.2 | -171.7 | 162 | 0 | 0 | 112.2 | S180 R241 G462 F466 N477 | S180-E464 VanDerWaalsContact CB-CG 3.44Å; S180-E464 VanDerWaalsContact CB-OE1 3.24Å; S180-E464 WeakPolarHBondContact CB-OE1 3.25Å; S180-E464 PolarHBondContact OG-OE1 2.79Å; R241-E464 IonicContact CZ-OE1 2.62Å; R241-E464 IonicContact CZ-OE2 2.65Å; R241-E464 IonicContact NH1-OE1 2.68Å; R241-E464 PolarHBondContact NH1-OE1 3.41Å; R241-E464 IonicContact NH1-OE2 2.66Å; R241-E464 PolarHBondContact NH1-OE2 2.95Å; R241-E464 IonicContact NH2-OE1 3.56Å; R241-E464 IonicContact NH2-OE2 2.74Å; R241-E464 PolarHBondContact NH2-OE2 3.02Å; G462-E464 PolarHBondContact O-N 2.76Å; E464-F466 HydrophobicContact CB-CE2 3.9Å; E464-F466 HydrophobicContact CB-CZ 3.95Å; E464-F466 HydrophobicContact CG-CE2 4.26Å; E464-F466 HydrophobicContact CG-CZ 3.9Å; E464-F466 WeakPolarHBondContact OE2-CE2 3.16Å; E464-F466 VanDerWaalsContact OE2-CZ 3.23Å; E464-F466 WeakPolarHBondContact OE2-CZ 3.46Å; E464-N477 PolarHBondContact N-OD1 2.7Å; E464-N477 PolarHBondContact O-ND2 2.72Å; E464-N477 PolarHBondContact O-OD1 2.84Å | ||
| 465 | I | 80.3 | Confident | 85.2 | Confident | 59 Ų | 59 | 21.9 Ų | 21.9 | 30% | 0.303 | 11% | 0.113 | S | C | . | . | trans | -138.1 | 116.8 | 178.1 | -45.9 | -177.7 | 0 | 0 | 0 | 106.5 | K235 F463 V584 | K235-I465 WeakPolarHBondContact CE-O 3.2Å; F463-I465 HydrophobicContact CD1-CD1 4.27Å; F463-I465 HydrophobicContact CD1-CG1 3.92Å; F463-I465 HydrophobicContact CE1-CD1 3.89Å; F463-I465 HydrophobicContact CE1-CG1 3.68Å; I465-V584 HydrophobicContact CD1-CG2 4.12Å; I465-V584 HydrophobicContact CG1-CG2 3.98Å | ||
| 466 | F | 80.6 | Confident | 84.8 | Confident | 35 Ų | 35 | 22.4 Ų | 22.4 | 15% | 0.154 | 12% | 0.115 | C | C | . | . | trans | -126.1 | 175.7 | 179 | -55.6 | -51.5 | 0 | 0 | 0 | 110.6 | V234 K235 E464 V468 N469 Q473 | V234-F466 HydrophobicContact CG2-CD1 3.5Å; V234-F466 HydrophobicContact CG2-CE1 3.51Å; K235-F466 HydrophobicContact CG-CE1 4.34Å; E464-F466 HydrophobicContact CB-CE2 3.9Å; E464-F466 HydrophobicContact CB-CZ 3.95Å; E464-F466 HydrophobicContact CG-CE2 4.26Å; E464-F466 HydrophobicContact CG-CZ 3.9Å; E464-F466 WeakPolarHBondContact OE2-CE2 3.16Å; E464-F466 VanDerWaalsContact OE2-CZ 3.23Å; E464-F466 WeakPolarHBondContact OE2-CZ 3.46Å; F466-V468 PolarHBondContact O-N 2.95Å; F466-N469 PolarHBondContact N-OD1 2.77Å; F466-N469 PolarHBondContact O-ND2 3.07Å; F466-Q473 HydrophobicContact CD2-CG 4.05Å; F466-Q473 HydrophobicContact CE2-CG 4.2Å | ||
| 467 | E | 78.6 | Confident | 84.5 | Confident | 192 Ų | 192 | 22.4 Ų | 22.4 | 90% | 0.897 | 12% | 0.115 | S | C | * | . | S | Bend | trans | -63.6 | -28.5 | 173 | -61.6 | -179.2 | 162.9 | 0 | 0 | 112.7 | ||
| 468 | V | 80.6 | Confident | 84.4 | Confident | 97 Ų | 97 | 22.4 Ų | 22.4 | 59% | 0.588 | 12% | 0.116 | S | C | * | . | S | Bend | trans | -134.2 | 105.2 | 176.7 | -177.6 | 0 | 0 | 0 | 0 | 108.8 | F466 N587 | F466-V468 PolarHBondContact O-N 2.95Å; V468-N587 HydrophobicContact CG1-CB 4.46Å |
| 469 | N | 85.9 | Confident | 84.2 | Confident | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 12% | 0.116 | C | C | . | . | B | Isolated β-bridge | trans | -100.7 | 121.2 | 176.8 | -50.9 | -74.3 | 0 | 0 | 0 | 108.9 | F466 Q473 V584 D585 Y586 N587 | F466-N469 PolarHBondContact N-OD1 2.77Å; F466-N469 PolarHBondContact O-ND2 3.07Å; N469-Q473 HydrophobicContact CB-CB 4.02Å; N469-Q473 HydrophobicContact CB-CG 4.41Å; N469-V584 HydrophobicContact CB-CG1 4.03Å; N469-D585 WeakPolarHBondContact CB-O 3.17Å; N469-D585 PolarHBondContact ND2-O 2.97Å; N469-Y586 HydrophobicContact CB-CD1 3.58Å; N469-Y586 HydrophobicContact CB-CE1 3.87Å; N469-Y586 HydrophobicContact CB-CG 4.45Å; N469-Y586 WeakPolarHBondContact O-CA 3.44Å; N469-N587 PolarHBondContact O-N 3.15Å |
| 470 | S | 87.7 | Confident | 84.3 | Confident | 16 Ų | 16 | 22.8 Ų | 22.8 | 11% | 0.112 | 12% | 0.118 | C | C | . | . | trans | -108.6 | -172.1 | -177.2 | -152.5 | 0 | 0 | 0 | 0 | 111.6 | E472 Q473 L474 W591 K594 | S470-E472 WeakPolarHBondContact CB-OE2 2.87Å; S470-E472 PolarHBondContact O-N 3.41Å; S470-Q473 WeakPolarHBondContact O-CB 3.21Å; S470-Q473 PolarHBondContact O-N 3.44Å; S470-L474 PolarHBondContact O-N 3.43Å; S470-W591 PolarHBondContact OG-NE1 3.16Å; S470-K594 PolarHBondContact OG-NZ 3.08Å | ||
| 471 | F | 87.2 | Confident | 84.6 | Confident | 4 Ų | 4 | 22.3 Ų | 22.3 | 2% | 0.018 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -53.4 | -37.7 | -176.7 | 177.8 | -119.5 | 0 | 0 | 0 | 113 | L474 C475 L532 L535 W591 K594 N595 V653 | F471-L474 PolarHBondContact O-N 3.04Å; F471-C475 PolarHBondContact O-N 2.75Å; F471-C475 PolarHBondContact O-SG 3.22Å; F471-L532 HydrophobicContact CE2-CD2 3.99Å; F471-L535 HydrophobicContact CD2-CD2 3.69Å; F471-L535 HydrophobicContact CE2-CD2 3.38Å; F471-L535 HydrophobicContact CZ-CD2 4.13Å; F471-W591 HydrophobicContact CB-CD2 3.81Å; F471-W591 HydrophobicContact CB-CE3 4.4Å; F471-W591 HydrophobicContact CB-CG 3.94Å; F471-W591 HydrophobicContact CB-CZ2 4.4Å; F471-W591 HydrophobicContact CD2-CD2 4.27Å; F471-W591 HydrophobicContact CD2-CE3 4.04Å; F471-W591 HydrophobicContact CD2-CZ3 4.39Å; F471-W591 HydrophobicContact CG-CD2 4.47Å; F471-W591 VanDerWaalsContact N-CE2 3.26Å; F471-W591 VanDerWaalsContact N-NE1 3.15Å; F471-K594 HydrophobicContact CB-CD 4.23Å; F471-K594 HydrophobicContact CD1-CB 4.26Å; F471-N595 HydrophobicContact CE1-CB 4.32Å; F471-N595 HydrophobicContact CZ-CB 4.22Å; F471-N595 WeakPolarHBondContact CZ-OD1 3.09Å; F471-V653 HydrophobicContact CE1-CB 4.17Å; F471-V653 HydrophobicContact CE1-CG1 4.02Å |
| 472 | E | 83.3 | Confident | 85.3 | Confident | 18 Ų | 18 | 23.2 Ų | 23.2 | 8% | 0.084 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -66.7 | -40.8 | 178.1 | -56.4 | 91 | 143 | 0 | 0 | 111.8 | E267 S269 S470 C475 I476 K594 | E267-E472 HydrophobicContact CG-CB 4.02Å; E267-E472 HydrophobicContact CG-CG 4.18Å; S269-E472 WeakPolarHBondContact CB-OE1 2.88Å; S269-E472 PolarHBondContact OG-OE1 3.15Å; S470-E472 WeakPolarHBondContact CB-OE2 2.87Å; S470-E472 PolarHBondContact O-N 3.41Å; E472-C475 PolarHBondContact O-N 3.39Å; E472-I476 WeakPolarHBondContact O-CG1 2.93Å; E472-I476 PolarHBondContact O-N 3.22Å; E472-K594 WeakPolarHBondContact OE1-CE 3.36Å; E472-K594 IonicContact OE1-NZ 2.69Å; E472-K594 PolarHBondContact OE1-NZ 2.7Å; E472-K594 IonicContact OE2-NZ 2.7Å; E472-K594 PolarHBondContact OE2-NZ 2.72Å |
| 473 | Q | 86 | Confident | 86 | Confident | 11 Ų | 11 | 23.3 Ų | 23.3 | 5% | 0.051 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -67.1 | -40.4 | 173.6 | -75.7 | 64.2 | 51.5 | 0 | 0 | 111.4 | E267 F466 N469 S470 C475 I476 N477 Y586 | E267-Q473 PolarHBondContact OE1-NE2 2.81Å; F466-Q473 HydrophobicContact CD2-CG 4.05Å; F466-Q473 HydrophobicContact CE2-CG 4.2Å; N469-Q473 HydrophobicContact CB-CB 4.02Å; N469-Q473 HydrophobicContact CB-CG 4.41Å; S470-Q473 WeakPolarHBondContact O-CB 3.21Å; S470-Q473 PolarHBondContact O-N 3.44Å; Q473-C475 VanDerWaalsContact C-N 3.3Å; Q473-C475 PolarHBondContact O-N 2.7Å; Q473-I476 PolarHBondContact O-N 2.77Å; Q473-N477 VanDerWaalsContact O-CB 3.32Å; Q473-N477 WeakPolarHBondContact O-CB 3.29Å; Q473-N477 VanDerWaalsContact O-CG 3.28Å; Q473-N477 PolarHBondContact O-N 2.68Å; Q473-N477 PolarHBondContact O-ND2 2.69Å; Q473-Y586 HydrophobicContact CB-CE1 4.38Å |
| 474 | L | 90.8 | Very high | 86.2 | Confident | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -57.6 | -46 | 173.6 | 175.4 | 65.8 | 0 | 0 | 0 | 110.6 | S470 F471 N477 Y478 I522 V531 I577 Y586 W591 | S470-L474 PolarHBondContact O-N 3.43Å; F471-L474 PolarHBondContact O-N 3.04Å; L474-N477 PolarHBondContact O-N 3Å; L474-Y478 WeakPolarHBondContact O-CB 3.42Å; L474-Y478 PolarHBondContact O-N 2.98Å; L474-I522 HydrophobicContact CD1-CD1 4.14Å; L474-V531 HydrophobicContact CD2-CG1 3.73Å; L474-I577 HydrophobicContact CD1-CD1 3.88Å; L474-Y586 HydrophobicContact CB-CD1 4.05Å; L474-Y586 HydrophobicContact CB-CE1 3.74Å; L474-Y586 HydrophobicContact CD1-CD2 4.46Å; L474-Y586 HydrophobicContact CD1-CE1 4.23Å; L474-Y586 HydrophobicContact CD1-CE2 3.92Å; L474-W591 HydrophobicContact CB-CH2 3.99Å; L474-W591 HydrophobicContact CD2-CH2 3.55Å; L474-W591 HydrophobicContact CD2-CZ3 3.53Å; L474-W591 HydrophobicContact CG-CH2 4.34Å |
| 475 | C | 88.6 | Confident | 86.8 | Confident | 3 Ų | 3 | 24.4 Ų | 24.4 | 2% | 0.02 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 178.8 | -70.4 | 0 | 0 | 0 | 0 | 112.5 | L265 F471 E472 Q473 T479 Y657 | L265-C475 HydrophobicContact CD2-CB 3.49Å; L265-C475 VanDerWaalsContact CD2-CB 3.49Å; F471-C475 PolarHBondContact O-N 2.75Å; F471-C475 PolarHBondContact O-SG 3.22Å; E472-C475 PolarHBondContact O-N 3.39Å; Q473-C475 VanDerWaalsContact C-N 3.3Å; Q473-C475 PolarHBondContact O-N 2.7Å; C475-T479 PolarHBondContact O-N 3.39Å; C475-T479 VanDerWaalsContact O-N 3.15Å; C475-T479 PolarHBondContact O-OG1 2.64Å; C475-Y657 HydrophobicContact CB-CD1 3.9Å; C475-Y657 HydrophobicContact CB-CE1 3.48Å; C475-Y657 VanDerWaalsContact CB-CE1 3.48Å; C475-Y657 WeakPolarHBondContact O-CE1 3.26Å; C475-Y657 PolarHBondContact O-OH 2.64Å; C475-Y657 VanDerWaalsContact O-OH 3.09Å |
| 476 | I | 85.7 | Confident | 87.3 | Confident | 11 Ų | 11 | 21.8 Ų | 21.8 | 6% | 0.056 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -61.2 | -48 | 175.9 | -70 | 165 | 0 | 0 | 0 | 110.9 | L265 A461 G462 E472 Q473 T479 N480 | L265-I476 HydrophobicContact CD2-CG1 4.33Å; A461-I476 HydrophobicContact CB-CD1 4.1Å; A461-I476 HydrophobicContact CB-CG1 4.08Å; A461-I476 HydrophobicContact CB-CG2 3.74Å; G462-I476 VanDerWaalsContact O-CG2 3.23Å; G462-I476 WeakPolarHBondContact O-CG2 3.35Å; E472-I476 WeakPolarHBondContact O-CG1 2.93Å; E472-I476 PolarHBondContact O-N 3.22Å; Q473-I476 PolarHBondContact O-N 2.77Å; I476-T479 PolarHBondContact O-N 2.71Å; I476-N480 PolarHBondContact O-N 2.72Å; I476-N480 PolarHBondContact O-ND2 2.66Å |
| 477 | N | 88.8 | Confident | 87.7 | Confident | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -67.4 | -40.8 | -177.7 | -72.1 | -12.9 | 0 | 0 | 0 | 112 | F463 E464 Q473 L474 T479 N480 E481 Y586 | F463-N477 WeakPolarHBondContact CA-OD1 3.15Å; F463-N477 HydrophobicContact CD2-CB 4.04Å; F463-N477 HydrophobicContact CE2-CB 3.55Å; F463-N477 HydrophobicContact CZ-CB 3.84Å; E464-N477 PolarHBondContact N-OD1 2.7Å; E464-N477 PolarHBondContact O-ND2 2.72Å; E464-N477 PolarHBondContact O-OD1 2.84Å; Q473-N477 VanDerWaalsContact O-CB 3.32Å; Q473-N477 WeakPolarHBondContact O-CB 3.29Å; Q473-N477 VanDerWaalsContact O-CG 3.28Å; Q473-N477 PolarHBondContact O-N 2.68Å; Q473-N477 PolarHBondContact O-ND2 2.69Å; L474-N477 PolarHBondContact O-N 3Å; N477-T479 VanDerWaalsContact C-N 3.31Å; N477-T479 PolarHBondContact O-N 2.65Å; N477-N480 PolarHBondContact O-N 2.98Å; N477-N480 VanDerWaalsContact O-N 3.15Å; N477-E481 PolarHBondContact O-N 2.77Å; N477-Y586 WeakPolarHBondContact CB-OH 3.11Å; N477-Y586 PolarHBondContact ND2-OH 3.18Å |
| 478 | Y | 91 | Very high | 88.1 | Confident | 1 Ų | 1 | 11.3 Ų | 11.3 | 0% | 0.004 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -56.6 | -39.9 | 171.3 | 160.3 | -117.3 | 0 | 0 | 0 | 113 | L474 E481 K482 I519 I522 E523 L532 Y657 L661 | L474-Y478 WeakPolarHBondContact O-CB 3.42Å; L474-Y478 PolarHBondContact O-N 2.98Å; Y478-E481 WeakPolarHBondContact O-CB 3.1Å; Y478-E481 PolarHBondContact O-N 2.73Å; Y478-K482 HydrophobicContact CE2-CD 3.86Å; Y478-K482 HydrophobicContact CE2-CG 4.31Å; Y478-K482 PolarHBondContact O-N 2.64Å; Y478-K482 WeakPolarHBondContact OH-CE 3.24Å; Y478-K482 PolarHBondContact OH-NZ 3.03Å; Y478-I519 HydrophobicContact CE2-CG2 4.41Å; Y478-I522 HydrophobicContact CD2-CB 4.04Å; Y478-I522 HydrophobicContact CD2-CD1 4.21Å; Y478-I522 HydrophobicContact CD2-CG2 3.63Å; Y478-I522 HydrophobicContact CE2-CB 4.45Å; Y478-I522 HydrophobicContact CE2-CG2 4.1Å; Y478-I522 HydrophobicContact CG-CG2 3.89Å; Y478-E523 HydrophobicContact CE2-CB 4.04Å; Y478-E523 PolarHBondContact OH-OE2 3.32Å; Y478-E523 VanDerWaalsContact OH-OE2 3.05Å; Y478-L532 HydrophobicContact CE1-CD1 4.2Å; Y478-Y657 HydrophobicContact CD1-CE1 4.12Å; Y478-Y657 HydrophobicContact CE1-CE1 4.46Å; Y478-L661 HydrophobicContact CD1-CD2 4.07Å; Y478-L661 HydrophobicContact CE1-CD2 3.49Å; Y478-L661 VanDerWaalsContact CE1-CD2 3.49Å |
| 479 | T | 89.6 | Confident | 88.5 | Confident | 1 Ų | 1 | 8.8 Ų | 8.8 | 1% | 0.006 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -71.3 | -37.2 | 174.9 | -65 | 0 | 0 | 0 | 0 | 112.4 | I460 C475 I476 N477 E481 K482 L483 Y657 L661 | I460-T479 HydrophobicContact CD1-CG2 3.47Å; I460-T479 VanDerWaalsContact CD1-CG2 3.47Å; C475-T479 PolarHBondContact O-N 3.39Å; C475-T479 VanDerWaalsContact O-N 3.15Å; C475-T479 PolarHBondContact O-OG1 2.64Å; I476-T479 PolarHBondContact O-N 2.71Å; N477-T479 VanDerWaalsContact C-N 3.31Å; N477-T479 PolarHBondContact O-N 2.65Å; T479-E481 VanDerWaalsContact C-N 3.32Å; T479-E481 PolarHBondContact O-N 2.73Å; T479-K482 PolarHBondContact O-N 2.79Å; T479-L483 HydrophobicContact CG2-CD1 4Å; T479-L483 HydrophobicContact CG2-CG 4.35Å; T479-L483 WeakPolarHBondContact O-CG 2.84Å; T479-L483 PolarHBondContact O-N 2.77Å; T479-Y657 VanDerWaalsContact OG1-CZ 3.29Å; T479-Y657 PolarHBondContact OG1-OH 3.34Å; T479-L661 HydrophobicContact CG2-CD1 3.65Å; T479-L661 HydrophobicContact CG2-CD2 4.43Å; T479-L661 VanDerWaalsContact OG1-CD2 3.31Å; T479-L661 WeakPolarHBondContact OG1-CD2 3.24Å |
| 480 | N | 88.1 | Confident | 88.5 | Confident | 6 Ų | 6 | 10.2 Ų | 10.2 | 3% | 0.032 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -64 | -38.6 | 173 | -78.2 | -98.4 | 0 | 0 | 0 | 111.1 | A461 F463 I476 N477 L483 Q484 Y580 | A461-N480 PolarHBondContact O-ND2 2.72Å; F463-N480 HydrophobicContact CB-CB 4.34Å; F463-N480 HydrophobicContact CD2-CB 3.88Å; F463-N480 PolarHBondContact N-OD1 2.77Å; I476-N480 PolarHBondContact O-N 2.72Å; I476-N480 PolarHBondContact O-ND2 2.66Å; N477-N480 PolarHBondContact O-N 2.98Å; N477-N480 VanDerWaalsContact O-N 3.15Å; N480-L483 PolarHBondContact O-N 2.76Å; N480-Q484 WeakPolarHBondContact O-CB 3.17Å; N480-Q484 PolarHBondContact O-N 2.55Å; N480-Y580 HydrophobicContact CB-CE1 4.08Å |
| 481 | E | 90.4 | Very high | 88.2 | Confident | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -57.3 | -48.1 | 171.3 | -155.6 | 84 | -154.5 | 0 | 0 | 111.3 | N477 Y478 T479 L483 Q484 Q485 L515 C518 I519 H579 Y580 | N477-E481 PolarHBondContact O-N 2.77Å; Y478-E481 WeakPolarHBondContact O-CB 3.1Å; Y478-E481 PolarHBondContact O-N 2.73Å; T479-E481 VanDerWaalsContact C-N 3.32Å; T479-E481 PolarHBondContact O-N 2.73Å; E481-L483 PolarHBondContact O-N 2.77Å; E481-Q484 PolarHBondContact O-N 3.09Å; E481-Q485 WeakPolarHBondContact O-CB 2.9Å; E481-Q485 PolarHBondContact O-N 3.08Å; E481-L515 HydrophobicContact CG-CB 4.36Å; E481-L515 HydrophobicContact CG-CD1 4.45Å; E481-C518 VanDerWaalsContact CD-SG 3.53Å; E481-C518 HydrophobicContact CG-CB 4.18Å; E481-C518 PolarHBondContact OE1-SG 2.75Å; E481-I519 HydrophobicContact CB-CG1 4.35Å; E481-I519 HydrophobicContact CG-CD1 4.45Å; E481-I519 HydrophobicContact CG-CG1 3.89Å; E481-H579 WeakPolarHBondContact OE2-CA 3.13Å; E481-H579 VanDerWaalsContact OE2-CB 3.24Å; E481-H579 WeakPolarHBondContact OE2-CB 2.95Å; E481-H579 IonicContact OE2-CE1 3.41Å; E481-H579 IonicContact OE2-CG 2.7Å; E481-H579 IonicContact OE2-ND1 2.71Å; E481-H579 PolarHBondContact OE2-ND1 2.78Å; E481-Y580 PolarHBondContact OE1-N 3.15Å; E481-Y580 PolarHBondContact OE2-N 2.87Å |
| 482 | K | 91 | Very high | 88 | Confident | 24 Ų | 24 | 10.2 Ų | 10.2 | 10% | 0.104 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.8 | -35.9 | 177.4 | -89 | -173.2 | 162 | -178.8 | 0 | 113.9 | Y478 T479 Q485 L486 I519 E523 L661 M665 | Y478-K482 HydrophobicContact CE2-CD 3.86Å; Y478-K482 HydrophobicContact CE2-CG 4.31Å; Y478-K482 PolarHBondContact O-N 2.64Å; Y478-K482 WeakPolarHBondContact OH-CE 3.24Å; Y478-K482 PolarHBondContact OH-NZ 3.03Å; T479-K482 PolarHBondContact O-N 2.79Å; K482-Q485 PolarHBondContact O-N 3.27Å; K482-L486 PolarHBondContact O-N 2.74Å; K482-I519 HydrophobicContact CD-CG2 4.45Å; K482-I519 HydrophobicContact CG-CD1 3.88Å; K482-I519 HydrophobicContact CG-CG1 4.07Å; K482-I519 HydrophobicContact CG-CG2 4.12Å; K482-E523 WeakPolarHBondContact CE-OE1 3.38Å; K482-E523 IonicContact NZ-OE1 3.67Å; K482-E523 PolarHBondContact NZ-OE1 2.66Å; K482-E523 IonicContact NZ-OE2 2.97Å; K482-E523 PolarHBondContact NZ-OE2 2.81Å; K482-L661 HydrophobicContact CD-CD2 3.65Å; K482-L661 HydrophobicContact CD-CG 4.25Å; K482-M665 HydrophobicContact CB-CE 4.16Å; K482-M665 HydrophobicContact CB-SD 4.46Å; K482-M665 VanDerWaalsContact O-CE 3.27Å; K482-M665 WeakPolarHBondContact O-CE 3.33Å |
| 483 | L | 89.5 | Confident | 88.1 | Confident | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -74.1 | -33.4 | 175.9 | -68.5 | 170.7 | 0 | 0 | 0 | 112.1 | L175 L458 I460 T479 N480 E481 L486 F487 M665 L668 | L175-L483 HydrophobicContact CD2-CD2 4.33Å; L458-L483 HydrophobicContact CD2-CD1 3.85Å; L458-L483 HydrophobicContact CD2-CD2 3.63Å; L458-L483 HydrophobicContact CD2-CG 4.42Å; I460-L483 HydrophobicContact CG2-CD1 3.8Å; T479-L483 HydrophobicContact CG2-CD1 4Å; T479-L483 HydrophobicContact CG2-CG 4.35Å; T479-L483 WeakPolarHBondContact O-CG 2.84Å; T479-L483 PolarHBondContact O-N 2.77Å; N480-L483 PolarHBondContact O-N 2.76Å; E481-L483 PolarHBondContact O-N 2.77Å; L483-L486 PolarHBondContact O-N 2.89Å; L483-F487 PolarHBondContact O-N 2.87Å; L483-F487 VanDerWaalsContact O-N 3.13Å; L483-M665 HydrophobicContact CD2-CE 4.4Å; L483-M665 HydrophobicContact CD2-SD 3.92Å; L483-L668 HydrophobicContact CD2-CD1 4.03Å |
| 484 | Q | 89.2 | Confident | 88.1 | Confident | 3 Ų | 3 | 14.6 Ų | 14.6 | 1% | 0.014 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -65.8 | -43.4 | 169 | -174.7 | 63.5 | 41.3 | 0 | 0 | 111 | N480 E481 L486 F487 N488 L515 Y580 R677 N702 | N480-Q484 WeakPolarHBondContact O-CB 3.17Å; N480-Q484 PolarHBondContact O-N 2.55Å; E481-Q484 PolarHBondContact O-N 3.09Å; Q484-L486 VanDerWaalsContact C-N 3.32Å; Q484-L486 PolarHBondContact O-N 3.41Å; Q484-F487 WeakPolarHBondContact O-CB 3.34Å; Q484-F487 PolarHBondContact O-N 2.87Å; Q484-N488 PolarHBondContact NE2-OD1 3.18Å; Q484-N488 PolarHBondContact O-N 3.27Å; Q484-N488 PolarHBondContact O-OD1 2.96Å; Q484-L515 HydrophobicContact CB-CD1 3.66Å; Q484-L515 HydrophobicContact CG-CD1 3.41Å; Q484-L515 VanDerWaalsContact CG-CD1 3.41Å; Q484-Y580 HydrophobicContact CB-CD1 4.17Å; Q484-Y580 HydrophobicContact CB-CD2 4.35Å; Q484-Y580 HydrophobicContact CB-CE1 4.23Å; Q484-Y580 HydrophobicContact CB-CE2 4.41Å; Q484-Y580 HydrophobicContact CB-CG 4.23Å; Q484-Y580 HydrophobicContact CG-CD1 4.46Å; Q484-Y580 HydrophobicContact CG-CD2 3.9Å; Q484-Y580 HydrophobicContact CG-CE2 4.27Å; Q484-Y580 HydrophobicContact CG-CG 4Å; Q484-R677 VanDerWaalsContact CD-NH2 3.33Å; Q484-R677 VanDerWaalsContact NE2-NH2 3.2Å; Q484-N702 PolarHBondContact NE2-O 2.72Å |
| 485 | Q | 90.8 | Very high | 87.7 | Confident | 22 Ų | 22 | 15.1 Ų | 15.1 | 10% | 0.103 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64.4 | -34.9 | 176.1 | -175 | 66.7 | -3 | 0 | 0 | 112.4 | E481 K482 N488 H489 D514 L515 I519 | E481-Q485 WeakPolarHBondContact O-CB 2.9Å; E481-Q485 PolarHBondContact O-N 3.08Å; K482-Q485 PolarHBondContact O-N 3.27Å; Q485-N488 PolarHBondContact O-N 3.24Å; Q485-H489 WeakPolarHBondContact O-CB 3.39Å; Q485-H489 PolarHBondContact O-N 2.83Å; Q485-D514 PolarHBondContact NE2-OD1 3.04Å; Q485-L515 HydrophobicContact CB-CB 4.32Å; Q485-I519 HydrophobicContact CB-CD1 3.49Å; Q485-I519 VanDerWaalsContact CB-CD1 3.49Å; Q485-I519 HydrophobicContact CG-CD1 3.71Å |
| 486 | L | 90.5 | Very high | 87.6 | Confident | 5 Ų | 5 | 15.1 Ų | 15.1 | 3% | 0.026 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 171.6 | 177.5 | 64.3 | 0 | 0 | 0 | 111.5 | L175 K482 L483 Q484 H489 T490 M665 L668 R669 | L175-L486 HydrophobicContact CD2-CD2 4.04Å; K482-L486 PolarHBondContact O-N 2.74Å; L483-L486 PolarHBondContact O-N 2.89Å; Q484-L486 VanDerWaalsContact C-N 3.32Å; Q484-L486 PolarHBondContact O-N 3.41Å; L486-H489 PolarHBondContact O-N 3.14Å; L486-T490 WeakPolarHBondContact O-CB 3.4Å; L486-T490 PolarHBondContact O-N 3.48Å; L486-T490 PolarHBondContact O-OG1 3.35Å; L486-M665 HydrophobicContact CB-CE 3.7Å; L486-M665 HydrophobicContact CD2-CE 3.94Å; L486-M665 HydrophobicContact CG-CE 4.3Å; L486-L668 HydrophobicContact CD2-CB 3.96Å; L486-L668 HydrophobicContact CD2-CD1 4.16Å; L486-R669 HydrophobicContact CD1-CG 3.88Å |
| 487 | F | 89.1 | Confident | 87.6 | Confident | 0 Ų | 0 | 17.9 Ų | 17.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.7 | -47.7 | 173 | 172.2 | -93.4 | 0 | 0 | 0 | 111.7 | F121 L483 Q484 H489 T490 M491 F675 N702 | F121-F487 AromaticContact CD1-CE2 3.98Å; F121-F487 HydrophobicContact CD1-CE2 3.98Å; F121-F487 HydrophobicContact CD1-CZ 4.11Å; F121-F487 HydrophobicContact CE1-CE2 4.32Å; F121-F487 AromaticContact CE1-CZ 3.97Å; F121-F487 HydrophobicContact CE1-CZ 3.97Å; F121-F487 HydrophobicContact CG-CE2 4.16Å; F121-F487 HydrophobicContact CZ-CZ 4.23Å; L483-F487 PolarHBondContact O-N 2.87Å; L483-F487 VanDerWaalsContact O-N 3.13Å; Q484-F487 WeakPolarHBondContact O-CB 3.34Å; Q484-F487 PolarHBondContact O-N 2.87Å; F487-H489 VanDerWaalsContact C-N 3.34Å; F487-H489 PolarHBondContact O-N 2.89Å; F487-T490 PolarHBondContact O-N 2.9Å; F487-M491 HydrophobicContact CD1-CG 4.27Å; F487-M491 HydrophobicContact CD2-CG 3.66Å; F487-M491 HydrophobicContact CE1-CG 4.19Å; F487-M491 HydrophobicContact CE2-CG 3.57Å; F487-M491 HydrophobicContact CE2-SD 4.19Å; F487-M491 HydrophobicContact CG-CG 4.03Å; F487-M491 HydrophobicContact CZ-CG 3.86Å; F487-M491 WeakPolarHBondContact O-CB 3.38Å; F487-M491 VanDerWaalsContact O-CG 3.27Å; F487-M491 WeakPolarHBondContact O-CG 2.97Å; F487-M491 PolarHBondContact O-N 3.06Å; F487-F675 HydrophobicContact CB-CD1 4.26Å; F487-F675 HydrophobicContact CB-CE1 3.76Å; F487-F675 HydrophobicContact CB-CZ 3.97Å; F487-F675 HydrophobicContact CD2-CB 4.15Å; F487-F675 AromaticContact CD2-CD1 3.74Å; F487-F675 HydrophobicContact CD2-CD1 3.74Å; F487-F675 AromaticContact CD2-CD2 3.78Å; F487-F675 HydrophobicContact CD2-CD2 3.78Å; F487-F675 AromaticContact CD2-CE1 3.99Å; F487-F675 HydrophobicContact CD2-CE1 3.99Å; F487-F675 HydrophobicContact CD2-CE2 4.03Å; F487-F675 AromaticContact CD2-CG 3.63Å; F487-F675 HydrophobicContact CD2-CG 3.63Å; F487-F675 HydrophobicContact CD2-CZ 4.13Å; F487-F675 HydrophobicContact CE2-CB 4.29Å; F487-F675 HydrophobicContact CE2-CD2 4.36Å; F487-F675 HydrophobicContact CE2-CG 4.22Å; F487-F675 HydrophobicContact CG-CD1 4.49Å; F487-F675 HydrophobicContact CG-CE1 4.39Å; F487-N702 WeakPolarHBondContact CE1-O 3.42Å |
| 488 | N | 87.4 | Confident | 87.5 | Confident | 7 Ų | 7 | 19 Ų | 19 | 4% | 0.037 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -60.7 | -44.7 | 179.9 | -62.1 | -7.3 | 0 | 0 | 0 | 110.8 | Q484 Q485 F492 L513 | Q484-N488 PolarHBondContact NE2-OD1 3.18Å; Q484-N488 PolarHBondContact O-N 3.27Å; Q484-N488 PolarHBondContact O-OD1 2.96Å; Q485-N488 PolarHBondContact O-N 3.24Å; N488-F492 HydrophobicContact CB-CD2 4.04Å; N488-F492 HydrophobicContact CB-CE2 4.26Å; N488-F492 VanDerWaalsContact O-CB 3.29Å; N488-F492 WeakPolarHBondContact O-CB 3.36Å; N488-F492 WeakPolarHBondContact O-CD2 3.26Å; N488-F492 PolarHBondContact O-N 2.89Å; N488-L513 PolarHBondContact ND2-O 2.63Å |
| 489 | H | 87.4 | Confident | 87.4 | Confident | 44 Ų | 44 | 19 Ų | 19 | 20% | 0.204 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -64.2 | -47 | 177.2 | 178.3 | 64.7 | 0 | 0 | 0 | 112.5 | Q485 L486 F487 I493 L494 | Q485-H489 WeakPolarHBondContact O-CB 3.39Å; Q485-H489 PolarHBondContact O-N 2.83Å; L486-H489 PolarHBondContact O-N 3.14Å; F487-H489 VanDerWaalsContact C-N 3.34Å; F487-H489 PolarHBondContact O-N 2.89Å; H489-I493 HydrophobicContact CB-CD1 4.41Å; H489-I493 CarbonylContact O-C 3.4Å; H489-I493 WeakPolarHBondContact O-CA 3.41Å; H489-I493 WeakPolarHBondContact O-CB 3.48Å; H489-I493 PolarHBondContact O-N 3.27Å; H489-L494 PolarHBondContact O-N 2.66Å |
| 490 | T | 86.7 | Confident | 87.4 | Confident | 33 Ų | 33 | 24 Ų | 24 | 20% | 0.202 | 12% | 0.118 | C | C | . | . | I | π-helix | trans | -70.3 | -41.9 | 179.2 | -57.9 | 0 | 0 | 0 | 0 | 112.9 | L486 F487 P673 | L486-T490 WeakPolarHBondContact O-CB 3.4Å; L486-T490 PolarHBondContact O-N 3.48Å; L486-T490 PolarHBondContact O-OG1 3.35Å; F487-T490 PolarHBondContact O-N 2.9Å; T490-P673 HydrophobicContact CG2-CG 3.82Å |
| 491 | M | 81.6 | Confident | 87.4 | Confident | 10 Ų | 10 | 31 Ų | 31 | 5% | 0.049 | 14% | 0.143 | C | C | . | . | I | π-helix | trans | -76.2 | -31.9 | -176.4 | -70.2 | -65.7 | -51.6 | 0 | 0 | 113.8 | L120 F121 F487 I710 | L120-M491 HydrophobicContact CB-CE 4.22Å; L120-M491 HydrophobicContact CB-SD 4.37Å; L120-M491 HydrophobicContact CD1-CE 4.22Å; L120-M491 HydrophobicContact CD1-SD 4.4Å; F121-M491 HydrophobicContact CD1-CE 3.99Å; F121-M491 HydrophobicContact CD1-SD 4.4Å; F121-M491 HydrophobicContact CE1-CE 4.17Å; F487-M491 HydrophobicContact CD1-CG 4.27Å; F487-M491 HydrophobicContact CD2-CG 3.66Å; F487-M491 HydrophobicContact CE1-CG 4.19Å; F487-M491 HydrophobicContact CE2-CG 3.57Å; F487-M491 HydrophobicContact CE2-SD 4.19Å; F487-M491 HydrophobicContact CG-CG 4.03Å; F487-M491 HydrophobicContact CZ-CG 3.86Å; F487-M491 WeakPolarHBondContact O-CB 3.38Å; F487-M491 VanDerWaalsContact O-CG 3.27Å; F487-M491 WeakPolarHBondContact O-CG 2.97Å; F487-M491 PolarHBondContact O-N 3.06Å; M491-I710 HydrophobicContact CE-CG2 4.17Å |
| 492 | F | 83.5 | Confident | 87.5 | Confident | 10 Ų | 10 | 31.4 Ų | 31.4 | 4% | 0.044 | 15% | 0.146 | C | C | . | . | I | π-helix | trans | -116.3 | -39.7 | -172.5 | -50.4 | -54.3 | 0 | 0 | 0 | 114 | N488 Q496 F511 L513 E706 I710 | N488-F492 HydrophobicContact CB-CD2 4.04Å; N488-F492 HydrophobicContact CB-CE2 4.26Å; N488-F492 VanDerWaalsContact O-CB 3.29Å; N488-F492 WeakPolarHBondContact O-CB 3.36Å; N488-F492 WeakPolarHBondContact O-CD2 3.26Å; N488-F492 PolarHBondContact O-N 2.89Å; F492-Q496 WeakPolarHBondContact O-CB 3.21Å; F492-Q496 WeakPolarHBondContact O-CG 3.38Å; F492-Q496 PolarHBondContact O-NE2 3.39Å; F492-F511 HydrophobicContact CB-CD2 3.99Å; F492-F511 HydrophobicContact CB-CE2 4.35Å; F492-F511 AromaticContact CD1-CD2 3.55Å; F492-F511 HydrophobicContact CD1-CD2 3.55Å; F492-F511 AromaticContact CD1-CE2 3.72Å; F492-F511 HydrophobicContact CD1-CE2 3.72Å; F492-F511 HydrophobicContact CD1-CG 4.32Å; F492-F511 HydrophobicContact CE1-CD2 4.2Å; F492-F511 HydrophobicContact CE1-CE2 4.45Å; F492-F511 AromaticContact CG-CD2 3.81Å; F492-F511 HydrophobicContact CG-CD2 3.81Å; F492-F511 HydrophobicContact CG-CE2 4.31Å; F492-L513 HydrophobicContact CE2-CD1 3.71Å; F492-L513 HydrophobicContact CZ-CD1 4.04Å; F492-E706 VanDerWaalsContact CE1-C 3.49Å; F492-E706 HydrophobicContact CE1-CB 3.99Å; F492-E706 WeakPolarHBondContact CE1-O 2.87Å; F492-E706 HydrophobicContact CZ-CB 3.74Å; F492-I710 HydrophobicContact CD1-CB 4.07Å; F492-I710 HydrophobicContact CD1-CG2 3.73Å; F492-I710 HydrophobicContact CE1-CB 4.26Å; F492-I710 HydrophobicContact CE1-CG2 3.65Å |
| 493 | I | 85.1 | Confident | 87.4 | Confident | 57 Ų | 57 | 32.6 Ų | 32.6 | 29% | 0.292 | 16% | 0.164 | S | C | . | . | I | π-helix | trans | -87.3 | -61.8 | -173.1 | -56.5 | 178.4 | 0 | 0 | 0 | 109.7 | H489 E495 Q496 E497 | H489-I493 HydrophobicContact CB-CD1 4.41Å; H489-I493 CarbonylContact O-C 3.4Å; H489-I493 WeakPolarHBondContact O-CA 3.41Å; H489-I493 WeakPolarHBondContact O-CB 3.48Å; H489-I493 PolarHBondContact O-N 3.27Å; I493-E495 VanDerWaalsContact C-N 3.27Å; I493-E495 PolarHBondContact O-N 2.74Å; I493-Q496 PolarHBondContact O-N 2.67Å; I493-Q496 VanDerWaalsContact O-N 3.08Å; I493-E497 HydrophobicContact CG2-CG 4.24Å; I493-E497 VanDerWaalsContact CG2-OE1 3.31Å; I493-E497 WeakPolarHBondContact CG2-OE1 3.43Å; I493-E497 WeakPolarHBondContact O-CG 3.34Å; I493-E497 PolarHBondContact O-N 2.74Å |
| 494 | L | 85.1 | Confident | 87.4 | Confident | 65 Ų | 65 | 33 Ų | 33 | 34% | 0.34 | 17% | 0.167 | S | C | . | . | I | π-helix | trans | -59.6 | -35.9 | -177.8 | -67.3 | -179.1 | 0 | 0 | 0 | 113.1 | H489 E498 | H489-L494 PolarHBondContact O-N 2.66Å; L494-E498 VanDerWaalsContact O-CB 3.28Å; L494-E498 WeakPolarHBondContact O-CB 3.24Å; L494-E498 PolarHBondContact O-N 2.59Å |
| 495 | E | 82.5 | Confident | 87.3 | Confident | 12 Ų | 12 | 39.6 Ų | 39.6 | 6% | 0.056 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.9 | -38 | 177.8 | -170.7 | 62.7 | -164.2 | 0 | 0 | 111.9 | I493 Y499 R718 | I493-E495 VanDerWaalsContact C-N 3.27Å; I493-E495 PolarHBondContact O-N 2.74Å; E495-Y499 HydrophobicContact CG-CE1 4.12Å; E495-Y499 HydrophobicContact CG-CE2 4.31Å; E495-Y499 WeakPolarHBondContact CG-OH 3.38Å; E495-Y499 WeakPolarHBondContact O-CD1 3.26Å; E495-Y499 WeakPolarHBondContact O-CE1 3.33Å; E495-Y499 VanDerWaalsContact O-CG 3.25Å; E495-Y499 PolarHBondContact O-N 3.3Å; E495-Y499 VanDerWaalsContact OE1-CE1 3.22Å; E495-Y499 WeakPolarHBondContact OE1-CE1 3.47Å; E495-Y499 VanDerWaalsContact OE1-CZ 3.26Å; E495-Y499 PolarHBondContact OE1-OH 2.8Å; E495-R718 IonicContact OE1-NH1 2.82Å; E495-R718 PolarHBondContact OE1-NH1 2.76Å; E495-R718 IonicContact OE2-CZ 2.86Å; E495-R718 IonicContact OE2-NH1 3.86Å; E495-R718 PolarHBondContact OE2-NH1 2.68Å; E495-R718 IonicContact OE2-NH2 2.59Å; E495-R718 PolarHBondContact OE2-NH2 2.67Å; E495-R718 VanDerWaalsContact OE2-NH2 3.16Å |
| 496 | Q | 86.9 | Confident | 87 | Confident | 2 Ų | 2 | 40.7 Ų | 40.7 | 1% | 0.009 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -81.1 | -33.8 | 176.7 | -66.1 | -171.9 | 87.4 | 0 | 0 | 113 | F492 I493 E498 Y499 Q500 W506 F508 I509 I710 | F492-Q496 WeakPolarHBondContact O-CB 3.21Å; F492-Q496 WeakPolarHBondContact O-CG 3.38Å; F492-Q496 PolarHBondContact O-NE2 3.39Å; I493-Q496 PolarHBondContact O-N 2.67Å; I493-Q496 VanDerWaalsContact O-N 3.08Å; Q496-E498 VanDerWaalsContact C-N 3.29Å; Q496-E498 PolarHBondContact O-N 3.15Å; Q496-Y499 WeakPolarHBondContact O-CB 3.35Å; Q496-Y499 PolarHBondContact O-N 2.69Å; Q496-Q500 WeakPolarHBondContact O-CG 3.34Å; Q496-Q500 PolarHBondContact O-N 2.7Å; Q496-W506 HydrophobicContact CG-CZ2 4.29Å; Q496-F508 HydrophobicContact CB-CD2 3.9Å; Q496-F508 HydrophobicContact CB-CE2 3.9Å; Q496-I509 PolarHBondContact NE2-O 2.76Å; Q496-I509 PolarHBondContact OE1-O 2.7Å; Q496-I710 HydrophobicContact CG-CD1 4.21Å |
| 497 | E | 86.4 | Confident | 86.7 | Confident | 69 Ų | 69 | 47.1 Ų | 47.1 | 32% | 0.322 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -40.5 | 168.8 | -76.3 | -178.2 | -165.9 | 0 | 0 | 111.2 | I493 Y499 Q500 R501 | I493-E497 HydrophobicContact CG2-CG 4.24Å; I493-E497 VanDerWaalsContact CG2-OE1 3.31Å; I493-E497 WeakPolarHBondContact CG2-OE1 3.43Å; I493-E497 WeakPolarHBondContact O-CG 3.34Å; I493-E497 PolarHBondContact O-N 2.74Å; E497-Y499 VanDerWaalsContact C-N 3.35Å; E497-Q500 PolarHBondContact O-N 3.34Å; E497-R501 WeakPolarHBondContact O-CB 3.47Å; E497-R501 PolarHBondContact O-N 2.68Å; E497-R501 IonicContact OE2-NH2 3.72Å; E497-R501 PolarHBondContact OE2-NH2 2.7Å |
| 498 | E | 85.8 | Confident | 86.4 | Confident | 23 Ų | 23 | 52.1 Ų | 52.1 | 11% | 0.107 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -65.4 | -37.9 | 176 | -177.6 | 71.2 | 169.4 | 0 | 0 | 111.4 | L494 Q496 R501 E502 K767 F769 | L494-E498 VanDerWaalsContact O-CB 3.28Å; L494-E498 WeakPolarHBondContact O-CB 3.24Å; L494-E498 PolarHBondContact O-N 2.59Å; Q496-E498 VanDerWaalsContact C-N 3.29Å; Q496-E498 PolarHBondContact O-N 3.15Å; E498-R501 PolarHBondContact O-N 2.74Å; E498-R501 IonicContact OE2-CZ 2.82Å; E498-R501 IonicContact OE2-NH1 2.64Å; E498-R501 PolarHBondContact OE2-NH1 2.69Å; E498-E502 WeakPolarHBondContact O-CB 3.47Å; E498-E502 PolarHBondContact O-N 2.74Å; E498-K767 WeakPolarHBondContact OE1-CE 3.39Å; E498-K767 IonicContact OE1-NZ 3.56Å; E498-K767 PolarHBondContact OE1-NZ 2.9Å; E498-F769 HydrophobicContact CG-CE1 4.22Å; E498-F769 HydrophobicContact CG-CZ 4Å |
| 499 | Y | 89.8 | Confident | 86 | Confident | 1 Ų | 1 | 54.2 Ų | 54.2 | 0% | 0.004 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.8 | -42.3 | 173 | -62.4 | -11 | 0 | 0 | 0 | 112.1 | E495 Q496 E497 G503 I504 W506 F715 F769 | E495-Y499 HydrophobicContact CG-CE1 4.12Å; E495-Y499 HydrophobicContact CG-CE2 4.31Å; E495-Y499 WeakPolarHBondContact CG-OH 3.38Å; E495-Y499 WeakPolarHBondContact O-CD1 3.26Å; E495-Y499 WeakPolarHBondContact O-CE1 3.33Å; E495-Y499 VanDerWaalsContact O-CG 3.25Å; E495-Y499 PolarHBondContact O-N 3.3Å; E495-Y499 VanDerWaalsContact OE1-CE1 3.22Å; E495-Y499 WeakPolarHBondContact OE1-CE1 3.47Å; E495-Y499 VanDerWaalsContact OE1-CZ 3.26Å; E495-Y499 PolarHBondContact OE1-OH 2.8Å; Q496-Y499 WeakPolarHBondContact O-CB 3.35Å; Q496-Y499 PolarHBondContact O-N 2.69Å; E497-Y499 VanDerWaalsContact C-N 3.35Å; Y499-G503 PolarHBondContact O-N 3.44Å; Y499-G503 VanDerWaalsContact O-N 3.12Å; Y499-I504 HydrophobicContact CD1-CD1 3.72Å; Y499-I504 HydrophobicContact CD1-CG1 4.5Å; Y499-I504 HydrophobicContact CD2-CD1 4.26Å; Y499-I504 HydrophobicContact CE1-CD1 4.44Å; Y499-I504 HydrophobicContact CG-CD1 3.64Å; Y499-I504 HydrophobicContact CG-CG1 4.15Å; Y499-I504 PolarHBondContact O-N 2.73Å; Y499-I504 VanDerWaalsContact O-N 3.09Å; Y499-W506 HydrophobicContact CD2-CB 4.31Å; Y499-W506 AromaticContact CD2-CD1 3.83Å; Y499-W506 AromaticContact CD2-CD2 3.69Å; Y499-W506 HydrophobicContact CD2-CD2 3.69Å; Y499-W506 AromaticContact CD2-CE2 3.88Å; Y499-W506 HydrophobicContact CD2-CE3 4.27Å; Y499-W506 AromaticContact CD2-CG 3.67Å; Y499-W506 HydrophobicContact CD2-CG 3.67Å; Y499-W506 AromaticContact CD2-NE1 3.94Å; Y499-W506 HydrophobicContact CE2-CD2 4.2Å; Y499-W506 HydrophobicContact CE2-CE3 4.44Å; Y499-W506 HydrophobicContact CG-CG 4.38Å; Y499-F715 PolarHBondContact OH-N 3.07Å; Y499-F769 AromaticContact CD1-CD1 3.83Å; Y499-F769 HydrophobicContact CD1-CD1 3.83Å; Y499-F769 AromaticContact CD1-CE1 3.59Å; Y499-F769 HydrophobicContact CD1-CE1 3.59Å; Y499-F769 HydrophobicContact CD1-CZ 4.29Å; Y499-F769 AromaticContact CE1-CD1 3.62Å; Y499-F769 HydrophobicContact CE1-CD1 3.62Å; Y499-F769 AromaticContact CE1-CE1 3.64Å; Y499-F769 HydrophobicContact CE1-CE1 3.64Å |
| 500 | Q | 88.5 | Confident | 85.5 | Confident | 108 Ų | 108 | 58.1 Ų | 58.1 | 51% | 0.505 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.3 | -44.3 | 175 | -70 | 175.7 | -2.1 | 0 | 0 | 112.1 | Q496 E497 E502 G503 | Q496-Q500 WeakPolarHBondContact O-CG 3.34Å; Q496-Q500 PolarHBondContact O-N 2.7Å; E497-Q500 PolarHBondContact O-N 3.34Å; Q500-E502 VanDerWaalsContact C-N 3.34Å; Q500-E502 PolarHBondContact O-N 2.67Å; Q500-G503 WeakPolarHBondContact O-CA 3.31Å; Q500-G503 PolarHBondContact O-N 2.74Å |
| 501 | R | 89.3 | Confident | 84.8 | Confident | 151 Ų | 151 | 58 Ų | 58 | 57% | 0.57 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -62.3 | -38.5 | 179 | -175.6 | -176.3 | -60.7 | 129.5 | 4.2 | 112.5 | E497 E498 G503 | E497-R501 WeakPolarHBondContact O-CB 3.47Å; E497-R501 PolarHBondContact O-N 2.68Å; E497-R501 IonicContact OE2-NH2 3.72Å; E497-R501 PolarHBondContact OE2-NH2 2.7Å; E498-R501 PolarHBondContact O-N 2.74Å; E498-R501 IonicContact OE2-CZ 2.82Å; E498-R501 IonicContact OE2-NH1 2.64Å; E498-R501 PolarHBondContact OE2-NH1 2.69Å; R501-G503 VanDerWaalsContact C-N 3.28Å |
| 502 | E | 91.6 | Very high | 84.2 | Confident | 10 Ų | 10 | 60.4 Ų | 60.4 | 5% | 0.047 | 31% | 0.314 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.4 | 0.8 | 173.9 | -73.8 | -79.5 | 159.8 | 0 | 0 | 113.2 | E498 Q500 I504 G764 Q765 S766 K767 F769 | E498-E502 WeakPolarHBondContact O-CB 3.47Å; E498-E502 PolarHBondContact O-N 2.74Å; Q500-E502 VanDerWaalsContact C-N 3.34Å; Q500-E502 PolarHBondContact O-N 2.67Å; E502-I504 VanDerWaalsContact C-N 3.29Å; E502-I504 HydrophobicContact CB-CG2 4.5Å; E502-I504 PolarHBondContact O-N 2.71Å; E502-G764 CarbonylContact O-C 3.59Å; E502-G764 VanDerWaalsContact O-C 3.3Å; E502-G764 WeakPolarHBondContact O-CA 3.26Å; E502-Q765 PolarHBondContact O-N 2.78Å; E502-Q765 PolarHBondContact OE2-N 3.46Å; E502-S766 PolarHBondContact OE1-OG 2.73Å; E502-S766 PolarHBondContact OE2-N 2.64Å; E502-K767 HydrophobicContact CG-CD 4.29Å; E502-K767 WeakPolarHBondContact OE1-CD 3.48Å; E502-K767 WeakPolarHBondContact OE1-CE 2.99Å; E502-K767 IonicContact OE1-NZ 2.96Å; E502-K767 PolarHBondContact OE1-NZ 2.89Å; E502-K767 PolarHBondContact OE2-N 2.78Å; E502-F769 HydrophobicContact CB-CE2 3.57Å; E502-F769 HydrophobicContact CB-CZ 3.95Å; E502-F769 HydrophobicContact CG-CE2 3.67Å; E502-F769 HydrophobicContact CG-CZ 3.78Å |
| 503 | G | 88.1 | Confident | 83.6 | Confident | 48 Ų | 48 | 62.3 Ų | 62.3 | 50% | 0.495 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 62 | 30.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y499 Q500 R501 | Y499-G503 PolarHBondContact O-N 3.44Å; Y499-G503 VanDerWaalsContact O-N 3.12Å; Q500-G503 WeakPolarHBondContact O-CA 3.31Å; Q500-G503 PolarHBondContact O-N 2.74Å; R501-G503 VanDerWaalsContact C-N 3.28Å |
| 504 | I | 90.6 | Very high | 83.5 | Confident | 14 Ų | 14 | 63.6 Ų | 63.6 | 7% | 0.072 | 33% | 0.332 | C | S | . | . | trans | -78.4 | 154.5 | 175.5 | 70.2 | 169.6 | 0 | 0 | 0 | 111 | Y499 E502 W506 F715 R762 F769 | Y499-I504 HydrophobicContact CD1-CD1 3.72Å; Y499-I504 HydrophobicContact CD1-CG1 4.5Å; Y499-I504 HydrophobicContact CD2-CD1 4.26Å; Y499-I504 HydrophobicContact CE1-CD1 4.44Å; Y499-I504 HydrophobicContact CG-CD1 3.64Å; Y499-I504 HydrophobicContact CG-CG1 4.15Å; Y499-I504 PolarHBondContact O-N 2.73Å; Y499-I504 VanDerWaalsContact O-N 3.09Å; E502-I504 VanDerWaalsContact C-N 3.29Å; E502-I504 HydrophobicContact CB-CG2 4.5Å; E502-I504 PolarHBondContact O-N 2.71Å; I504-W506 HydrophobicContact CG1-CB 4.23Å; I504-W506 PolarHBondContact O-N 3.49Å; I504-F715 HydrophobicContact CD1-CD2 4.32Å; I504-R762 HydrophobicContact CB-CB 3.93Å; I504-R762 HydrophobicContact CB-CG 4.37Å; I504-R762 HydrophobicContact CD1-CB 4.05Å; I504-R762 HydrophobicContact CD1-CG 4.29Å; I504-R762 HydrophobicContact CG2-CB 3.89Å; I504-F769 HydrophobicContact CD1-CB 4.43Å; I504-F769 HydrophobicContact CD1-CD2 4.39Å; I504-F769 HydrophobicContact CD1-CG 4.19Å; I504-F769 HydrophobicContact CG2-CD2 3.86Å; I504-F769 HydrophobicContact CG2-CE2 4.22Å | ||
| 505 | E | 85.9 | Confident | 83.7 | Confident | 141 Ų | 141 | 61.1 Ų | 61.1 | 66% | 0.659 | 32% | 0.319 | S | S | * | . | S | Bend | trans | -63.2 | 98.4 | 170.4 | -179.3 | -164.5 | -134.6 | 0 | 0 | 110.1 | R762 | E505-R762 IonicContact OE2-CZ 2.66Å; E505-R762 IonicContact OE2-NE 3.38Å; E505-R762 PolarHBondContact OE2-NE 2.69Å; E505-R762 IonicContact OE2-NH2 3.66Å; E505-R762 PolarHBondContact OE2-NH2 2.77Å |
| 506 | W | 85.8 | Confident | 84 | Confident | 44 Ų | 44 | 63.9 Ų | 63.9 | 17% | 0.167 | 33% | 0.332 | C | S | . | . | trans | -149.7 | 130.8 | 178.6 | 179.7 | -103.9 | 0 | 0 | 0 | 110.8 | Q496 Y499 I504 I509 I710 Q713 | Q496-W506 HydrophobicContact CG-CZ2 4.29Å; Y499-W506 HydrophobicContact CD2-CB 4.31Å; Y499-W506 AromaticContact CD2-CD1 3.83Å; Y499-W506 AromaticContact CD2-CD2 3.69Å; Y499-W506 HydrophobicContact CD2-CD2 3.69Å; Y499-W506 AromaticContact CD2-CE2 3.88Å; Y499-W506 HydrophobicContact CD2-CE3 4.27Å; Y499-W506 AromaticContact CD2-CG 3.67Å; Y499-W506 HydrophobicContact CD2-CG 3.67Å; Y499-W506 AromaticContact CD2-NE1 3.94Å; Y499-W506 HydrophobicContact CE2-CD2 4.2Å; Y499-W506 HydrophobicContact CE2-CE3 4.44Å; Y499-W506 HydrophobicContact CG-CG 4.38Å; I504-W506 HydrophobicContact CG1-CB 4.23Å; I504-W506 PolarHBondContact O-N 3.49Å; W506-I509 HydrophobicContact CH2-CD1 3.88Å; W506-I509 HydrophobicContact CZ2-CD1 3.92Å; W506-I509 HydrophobicContact CZ2-CG1 4.12Å; W506-I710 HydrophobicContact CH2-CD1 4.15Å; W506-I710 HydrophobicContact CZ2-CD1 3.85Å; W506-Q713 HydrophobicContact CH2-CB 4.03Å; W506-Q713 WeakPolarHBondContact CZ3-O 3.5Å | ||
| 507 | N | 83.2 | Confident | 84.2 | Confident | 140 Ų | 140 | 66 Ų | 66 | 75% | 0.749 | 35% | 0.346 | S | S | * | . | trans | -91.7 | 130.9 | 170.5 | -65.9 | -16.7 | 0 | 0 | 0 | 108.5 | I509 | N507-I509 PolarHBondContact O-N 2.63Š| ||
| 508 | F | 83.1 | Confident | 84.4 | Confident | 106 Ų | 106 | 62.7 Ų | 62.7 | 47% | 0.465 | 33% | 0.33 | S | S | . | . | trans | -66 | 121.5 | 178.7 | -171.1 | -88.8 | 0 | 0 | 0 | 110.8 | Q496 D510 | Q496-F508 HydrophobicContact CB-CD2 3.9Å; Q496-F508 HydrophobicContact CB-CE2 3.9Å; F508-D510 HydrophobicContact CE1-CB 4.29Å | ||
| 509 | I | 78.9 | Confident | 84.7 | Confident | 51 Ų | 51 | 61.8 Ų | 61.8 | 26% | 0.262 | 33% | 0.326 | S | S | . | . | trans | -104.3 | 111.9 | 176.7 | -55.1 | 178.9 | 0 | 0 | 0 | 107.5 | Q496 W506 N507 F511 | Q496-I509 PolarHBondContact NE2-O 2.76Å; Q496-I509 PolarHBondContact OE1-O 2.7Å; W506-I509 HydrophobicContact CH2-CD1 3.88Å; W506-I509 HydrophobicContact CZ2-CD1 3.92Å; W506-I509 HydrophobicContact CZ2-CG1 4.12Å; N507-I509 PolarHBondContact O-N 2.63Å; I509-F511 HydrophobicContact CB-CE1 4.44Å; I509-F511 HydrophobicContact CB-CE2 4.31Å; I509-F511 HydrophobicContact CB-CZ 4.01Å; I509-F511 HydrophobicContact CG2-CD1 4.1Å; I509-F511 HydrophobicContact CG2-CE1 3.62Å; I509-F511 HydrophobicContact CG2-CE2 4.23Å; I509-F511 HydrophobicContact CG2-CZ 3.7Å | ||
| 510 | D | 76.7 | Confident | 84.8 | Confident | 126 Ų | 126 | 64.7 Ų | 64.7 | 67% | 0.674 | 34% | 0.339 | S | S | * | . | trans | -78.9 | 128.9 | 164.9 | -175.4 | 11.5 | 0 | 0 | 0 | 109.4 | F508 G512 | F508-D510 HydrophobicContact CE1-CB 4.29Å; D510-G512 PolarHBondContact OD1-N 3.37Å | ||
| 511 | F | 72 | Confident | 84.9 | Confident | 30 Ų | 30 | 59.6 Ų | 59.6 | 13% | 0.132 | 32% | 0.316 | C | S | . | . | trans | -96.5 | -1.9 | 176.2 | -60 | -77.3 | 0 | 0 | 0 | 112.5 | F492 I509 L513 E706 R709 I710 | F492-F511 HydrophobicContact CB-CD2 3.99Å; F492-F511 HydrophobicContact CB-CE2 4.35Å; F492-F511 AromaticContact CD1-CD2 3.55Å; F492-F511 HydrophobicContact CD1-CD2 3.55Å; F492-F511 AromaticContact CD1-CE2 3.72Å; F492-F511 HydrophobicContact CD1-CE2 3.72Å; F492-F511 HydrophobicContact CD1-CG 4.32Å; F492-F511 HydrophobicContact CE1-CD2 4.2Å; F492-F511 HydrophobicContact CE1-CE2 4.45Å; F492-F511 AromaticContact CG-CD2 3.81Å; F492-F511 HydrophobicContact CG-CD2 3.81Å; F492-F511 HydrophobicContact CG-CE2 4.31Å; I509-F511 HydrophobicContact CB-CE1 4.44Å; I509-F511 HydrophobicContact CB-CE2 4.31Å; I509-F511 HydrophobicContact CB-CZ 4.01Å; I509-F511 HydrophobicContact CG2-CD1 4.1Å; I509-F511 HydrophobicContact CG2-CE1 3.62Å; I509-F511 HydrophobicContact CG2-CE2 4.23Å; I509-F511 HydrophobicContact CG2-CZ 3.7Å; F511-L513 HydrophobicContact CB-CG 4.45Å; F511-L513 PolarHBondContact O-N 2.67Å; F511-E706 HydrophobicContact CB-CB 4.41Å; F511-E706 HydrophobicContact CB-CG 4.25Å; F511-E706 HydrophobicContact CD1-CB 4.27Å; F511-E706 HydrophobicContact CD1-CG 4.29Å; F511-E706 HydrophobicContact CG-CB 4.41Å; F511-R709 HydrophobicContact CE1-CB 4.46Å; F511-I710 HydrophobicContact CE2-CB 4.2Å; F511-I710 HydrophobicContact CE2-CD1 4.16Å; F511-I710 HydrophobicContact CE2-CG1 4.44Å; F511-I710 HydrophobicContact CZ-CB 4.05Å; F511-I710 HydrophobicContact CZ-CD1 4.12Å | ||
| 512 | G | 68.7 | Low | 85.1 | Confident | 60 Ų | 60 | 52.4 Ų | 52.4 | 62% | 0.619 | 29% | 0.289 | S | S | * | . | S | Bend | trans | 70.7 | 10.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 115 | D510 D514 | D510-G512 PolarHBondContact OD1-N 3.37Å; G512-D514 VanDerWaalsContact C-N 3.32Å; G512-D514 PolarHBondContact O-N 2.72Å |
| 513 | L | 72.8 | Confident | 84.9 | Confident | 51 Ų | 51 | 53.8 Ų | 53.8 | 27% | 0.267 | 30% | 0.295 | S | S | . | . | trans | -90.7 | 36 | -174.5 | -66 | -177.2 | 0 | 0 | 0 | 113.6 | N488 F492 F511 E706 | N488-L513 PolarHBondContact ND2-O 2.63Å; F492-L513 HydrophobicContact CE2-CD1 3.71Å; F492-L513 HydrophobicContact CZ-CD1 4.04Å; F511-L513 HydrophobicContact CB-CG 4.45Å; F511-L513 PolarHBondContact O-N 2.67Å; L513-E706 HydrophobicContact CD1-CB 3.76Å; L513-E706 HydrophobicContact CD1-CG 3.8Å; L513-E706 HydrophobicContact CG-CG 4.48Å | ||
| 514 | D | 81.9 | Confident | 84.9 | Confident | 84 Ų | 84 | 56.1 Ų | 56.1 | 45% | 0.449 | 29% | 0.289 | S | S | . | . | trans | -82.4 | 124.8 | 177 | -173 | 26.1 | 0 | 0 | 0 | 112.7 | Q485 G512 Q516 | Q485-D514 PolarHBondContact NE2-OD1 3.04Å; G512-D514 VanDerWaalsContact C-N 3.32Å; G512-D514 PolarHBondContact O-N 2.72Å; D514-Q516 WeakPolarHBondContact OD1-CB 3.47Å; D514-Q516 PolarHBondContact OD1-N 3.26Å | ||
| 515 | L | 88.7 | Confident | 84.2 | Confident | 13 Ų | 13 | 59.2 Ų | 59.2 | 7% | 0.068 | 31% | 0.31 | C | S | . | . | trans | -105.5 | -2.1 | 175.6 | -52.6 | 178.6 | 0 | 0 | 0 | 112.9 | E481 Q484 Q485 P517 C518 I519 Y580 | E481-L515 HydrophobicContact CG-CB 4.36Å; E481-L515 HydrophobicContact CG-CD1 4.45Å; Q484-L515 HydrophobicContact CB-CD1 3.66Å; Q484-L515 HydrophobicContact CG-CD1 3.41Å; Q484-L515 VanDerWaalsContact CG-CD1 3.41Å; Q485-L515 HydrophobicContact CB-CB 4.32Å; L515-P517 VanDerWaalsContact C-CD 3.44Å; L515-P517 VanDerWaalsContact C-N 3.3Å; L515-C518 WeakPolarHBondContact O-CA 3.49Å; L515-C518 WeakPolarHBondContact O-CB 3.31Å; L515-C518 PolarHBondContact O-N 2.95Å; L515-I519 HydrophobicContact CB-CD1 4.48Å; L515-I519 PolarHBondContact O-N 2.85Å; L515-I519 VanDerWaalsContact O-N 3.1Å; L515-Y580 HydrophobicContact CD1-CD1 4.45Å; L515-Y580 HydrophobicContact CD1-CG 4.17Å | ||
| 516 | Q | 89.5 | Confident | 83.8 | Confident | 70 Ų | 70 | 58 Ų | 58 | 33% | 0.327 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -50.6 | -41.1 | 178.7 | -175.5 | 64.7 | 17.4 | 0 | 0 | 113 | D514 C518 I519 E520 | D514-Q516 WeakPolarHBondContact OD1-CB 3.47Å; D514-Q516 PolarHBondContact OD1-N 3.26Å; Q516-C518 VanDerWaalsContact C-N 3.31Å; Q516-C518 PolarHBondContact O-N 2.67Å; Q516-I519 PolarHBondContact O-N 2.82Å; Q516-I519 VanDerWaalsContact O-N 3.16Å; Q516-E520 HydrophobicContact CG-CG 4.41Å; Q516-E520 WeakPolarHBondContact CG-OE1 3.24Å; Q516-E520 PolarHBondContact NE2-OE1 2.62Å; Q516-E520 PolarHBondContact O-N 2.75Å |
| 517 | P | 90.7 | Very high | 83.1 | Confident | 46 Ų | 46 | 62.3 Ų | 62.3 | 30% | 0.299 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -63.1 | -31.8 | 175 | -24 | 35.2 | 0 | 0 | 0 | 114.1 | L515 L521 H560 K562 | L515-P517 VanDerWaalsContact C-CD 3.44Å; L515-P517 VanDerWaalsContact C-N 3.3Å; P517-L521 WeakPolarHBondContact O-CB 3.47Å; P517-L521 PolarHBondContact O-N 3.5Å; P517-L521 VanDerWaalsContact O-N 3.15Å; P517-H560 PolarHBondContact O-CE1 2.78Å; P517-K562 HydrophobicContact CB-CG 4.47Å |
| 518 | C | 91.9 | Very high | 83.2 | Confident | 0 Ų | 0 | 58.2 Ų | 58.2 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -73.1 | -35 | 176.2 | -166.8 | 0 | 0 | 0 | 0 | 111.4 | E481 L515 Q516 I522 K562 | E481-C518 VanDerWaalsContact CD-SG 3.53Å; E481-C518 HydrophobicContact CG-CB 4.18Å; E481-C518 PolarHBondContact OE1-SG 2.75Å; L515-C518 WeakPolarHBondContact O-CA 3.49Å; L515-C518 WeakPolarHBondContact O-CB 3.31Å; L515-C518 PolarHBondContact O-N 2.95Å; Q516-C518 VanDerWaalsContact C-N 3.31Å; Q516-C518 PolarHBondContact O-N 2.67Å; C518-I522 WeakPolarHBondContact O-CG1 3.37Å; C518-K562 HydrophobicContact CB-CB 4.49Å; C518-K562 HydrophobicContact CB-CD 4.26Å; C518-K562 HydrophobicContact CB-CG 4.14Å |
| 519 | I | 91.9 | Very high | 83.4 | Confident | 3 Ų | 3 | 53.8 Ų | 53.8 | 2% | 0.015 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.7 | -44.3 | 177.4 | -68.5 | 164 | 0 | 0 | 0 | 110.8 | Y478 E481 K482 Q485 L515 Q516 I522 E523 | Y478-I519 HydrophobicContact CE2-CG2 4.41Å; E481-I519 HydrophobicContact CB-CG1 4.35Å; E481-I519 HydrophobicContact CG-CD1 4.45Å; E481-I519 HydrophobicContact CG-CG1 3.89Å; K482-I519 HydrophobicContact CD-CG2 4.45Å; K482-I519 HydrophobicContact CG-CD1 3.88Å; K482-I519 HydrophobicContact CG-CG1 4.07Å; K482-I519 HydrophobicContact CG-CG2 4.12Å; Q485-I519 HydrophobicContact CB-CD1 3.49Å; Q485-I519 VanDerWaalsContact CB-CD1 3.49Å; Q485-I519 HydrophobicContact CG-CD1 3.71Å; L515-I519 HydrophobicContact CB-CD1 4.48Å; L515-I519 PolarHBondContact O-N 2.85Å; L515-I519 VanDerWaalsContact O-N 3.1Å; Q516-I519 PolarHBondContact O-N 2.82Å; Q516-I519 VanDerWaalsContact O-N 3.16Å; I519-I522 PolarHBondContact O-N 2.7Å; I519-I522 VanDerWaalsContact O-N 3.1Å; I519-E523 HydrophobicContact CG2-CG 4.25Å; I519-E523 WeakPolarHBondContact CG2-OE1 3.46Å; I519-E523 PolarHBondContact O-N 2.67Å |
| 520 | E | 90.5 | Very high | 83.9 | Confident | 62 Ų | 62 | 51.4 Ų | 51.4 | 29% | 0.29 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.9 | -41.3 | 177.6 | -74.9 | -172.1 | -155 | 0 | 0 | 112.7 | Q516 I522 E523 R524 | Q516-E520 HydrophobicContact CG-CG 4.41Å; Q516-E520 WeakPolarHBondContact CG-OE1 3.24Å; Q516-E520 PolarHBondContact NE2-OE1 2.62Å; Q516-E520 PolarHBondContact O-N 2.75Å; E520-I522 PolarHBondContact O-N 2.99Å; E520-E523 PolarHBondContact O-N 3.27Å; E520-R524 HydrophobicContact CB-CB 4.28Å; E520-R524 WeakPolarHBondContact O-CB 3.41Å; E520-R524 PolarHBondContact O-N 2.85Å; E520-R524 IonicContact OE2-CZ 2.69Å; E520-R524 IonicContact OE2-NH1 2.86Å; E520-R524 PolarHBondContact OE2-NH1 3.44Å |
| 521 | L | 92.3 | Very high | 84.7 | Confident | 2 Ų | 2 | 45.4 Ų | 45.4 | 1% | 0.01 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -49.1 | -34.4 | 170.5 | 171.1 | 64.3 | 0 | 0 | 0 | 112.3 | P517 G530 V531 Q557 H560 K562 F563 I577 | P517-L521 WeakPolarHBondContact O-CB 3.47Å; P517-L521 PolarHBondContact O-N 3.5Å; P517-L521 VanDerWaalsContact O-N 3.15Å; L521-G530 CarbonylContact O-C 3.18Å; L521-G530 WeakPolarHBondContact O-CA 3.23Å; L521-V531 WeakPolarHBondContact O-CG2 3.41Å; L521-V531 PolarHBondContact O-N 3.47Å; L521-Q557 HydrophobicContact CD1-CB 3.72Å; L521-Q557 HydrophobicContact CD1-CG 3.63Å; L521-H560 HydrophobicContact CD1-CB 4.41Å; L521-K562 HydrophobicContact CD2-CB 3.96Å; L521-F563 HydrophobicContact CD1-CB 4.23Å; L521-F563 HydrophobicContact CD2-CB 4.1Å; L521-I577 HydrophobicContact CD2-CD1 4.47Å; L521-I577 HydrophobicContact CD2-CG1 4.32Å; L521-I577 HydrophobicContact CD2-CG2 4.07Å |
| 522 | I | 92.2 | Very high | 85.7 | Confident | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -90.7 | -44.6 | -177.9 | -62.5 | 171.7 | 0 | 0 | 0 | 111.8 | L474 Y478 C518 I519 E520 G530 V531 L532 I577 | L474-I522 HydrophobicContact CD1-CD1 4.14Å; Y478-I522 HydrophobicContact CD2-CB 4.04Å; Y478-I522 HydrophobicContact CD2-CD1 4.21Å; Y478-I522 HydrophobicContact CD2-CG2 3.63Å; Y478-I522 HydrophobicContact CE2-CB 4.45Å; Y478-I522 HydrophobicContact CE2-CG2 4.1Å; Y478-I522 HydrophobicContact CG-CG2 3.89Å; C518-I522 WeakPolarHBondContact O-CG1 3.37Å; I519-I522 PolarHBondContact O-N 2.7Å; I519-I522 VanDerWaalsContact O-N 3.1Å; E520-I522 PolarHBondContact O-N 2.99Å; I522-G530 CarbonylContact O-C 3.24Å; I522-V531 PolarHBondContact O-N 3.24Å; I522-L532 HydrophobicContact CG2-CD1 3.95Å; I522-L532 HydrophobicContact CG2-CG 3.94Å; I522-L532 WeakPolarHBondContact O-CB 2.93Å; I522-L532 WeakPolarHBondContact O-CG 3.34Å; I522-L532 PolarHBondContact O-N 2.84Å; I522-I577 HydrophobicContact CD1-CD1 4.21Å; I522-I577 HydrophobicContact CG1-CD1 4.06Å |
| 523 | E | 88.5 | Confident | 86.6 | Confident | 39 Ų | 39 | 42.2 Ų | 42.2 | 18% | 0.182 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -109.2 | -13.6 | -167 | 87.9 | 168.3 | 138.8 | 0 | 0 | 117.1 | Y478 K482 I519 E520 K658 | Y478-E523 HydrophobicContact CE2-CB 4.04Å; Y478-E523 PolarHBondContact OH-OE2 3.32Å; Y478-E523 VanDerWaalsContact OH-OE2 3.05Å; K482-E523 WeakPolarHBondContact CE-OE1 3.38Å; K482-E523 IonicContact NZ-OE1 3.67Å; K482-E523 PolarHBondContact NZ-OE1 2.66Å; K482-E523 IonicContact NZ-OE2 2.97Å; K482-E523 PolarHBondContact NZ-OE2 2.81Å; I519-E523 HydrophobicContact CG2-CG 4.25Å; I519-E523 WeakPolarHBondContact CG2-OE1 3.46Å; I519-E523 PolarHBondContact O-N 2.67Å; E520-E523 PolarHBondContact O-N 3.27Å; E523-K658 HydrophobicContact CB-CD 4.39Å; E523-K658 PolarHBondContact O-NZ 3.32Å; E523-K658 WeakPolarHBondContact OE2-CE 3.19Å |
| 524 | R | 86.3 | Confident | 87.5 | Confident | 96 Ų | 96 | 39.9 Ų | 39.9 | 36% | 0.362 | 21% | 0.213 | S | C | . | . | trans | -60.4 | 125.5 | -170 | -175.6 | 173.5 | 178.4 | 144.9 | -8.5 | 110.8 | E520 N526 N527 G530 | E520-R524 HydrophobicContact CB-CB 4.28Å; E520-R524 WeakPolarHBondContact O-CB 3.41Å; E520-R524 PolarHBondContact O-N 2.85Å; E520-R524 IonicContact OE2-CZ 2.69Å; E520-R524 IonicContact OE2-NH1 2.86Å; E520-R524 PolarHBondContact OE2-NH1 3.44Å; R524-N526 WeakPolarHBondContact CG-O 3.27Å; R524-N526 PolarHBondContact NE-O 3.27Å; R524-N527 PolarHBondContact NE-O 2.99Å; R524-N527 PolarHBondContact NH2-O 3.29Å; R524-G530 PolarHBondContact O-N 3.31Å | ||
| 525 | P | 77.1 | Confident | 87.9 | Confident | 79 Ų | 79 | 35.9 Ų | 35.9 | 51% | 0.513 | 19% | 0.192 | S | C | . | . | trans | -78.1 | -32.6 | -177.1 | 31 | -34.3 | 0 | 0 | 0 | 112.5 | ||||
| 526 | N | 78.3 | Confident | 87.8 | Confident | 116 Ų | 116 | 36 Ų | 36 | 62% | 0.62 | 19% | 0.193 | S | C | * | . | S | Bend | trans | -125 | 130.1 | -168.5 | -57.5 | 11 | 0 | 0 | 0 | 111.3 | R524 | R524-N526 WeakPolarHBondContact CG-O 3.27Å; R524-N526 PolarHBondContact NE-O 3.27Å |
| 527 | N | 71.1 | Confident | 87.5 | Confident | 134 Ų | 134 | 36.6 Ų | 36.6 | 72% | 0.717 | 20% | 0.196 | S | C | * | . | S | Bend | trans | 36.4 | 98.3 | 160.8 | -63.8 | 11.4 | 0 | 0 | 0 | 117.1 | R524 | R524-N527 PolarHBondContact NE-O 2.99Å; R524-N527 PolarHBondContact NH2-O 3.29Å |
| 528 | P | 83.5 | Confident | 87.4 | Confident | 55 Ų | 55 | 35.4 Ų | 35.4 | 36% | 0.357 | 19% | 0.186 | S | C | . | . | S | Bend | cis | -72.8 | 140.8 | -15.2 | 31.4 | -33.7 | 0 | 0 | 0 | 110.6 | ||
| 529 | P | 87.4 | Confident | 86.8 | Confident | 13 Ų | 13 | 35.7 Ų | 35.7 | 8% | 0.084 | 19% | 0.188 | C | C | . | . | P | Polyproline II helix | trans | -66.4 | 137.7 | 177.9 | -16.8 | 30.7 | 0 | 0 | 0 | 111.8 | A533 L534 Q557 | P529-A533 HydrophobicContact CB-CB 4.01Å; P529-L534 HydrophobicContact CB-CD2 3.83Å; P529-L534 HydrophobicContact CB-CG 4.05Å; P529-L534 HydrophobicContact CG-CD2 4.2Å; P529-L534 WeakPolarHBondContact O-CD1 3.21Å; P529-Q557 PolarHBondContact O-NE2 3.46Å |
| 530 | G | 90.5 | Very high | 85.9 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | P | Polyproline II helix | trans | -77.8 | 169.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | L521 I522 R524 L532 A533 L534 | L521-G530 CarbonylContact O-C 3.18Å; L521-G530 WeakPolarHBondContact O-CA 3.23Å; I522-G530 CarbonylContact O-C 3.24Å; R524-G530 PolarHBondContact O-N 3.31Å; G530-L532 VanDerWaalsContact C-N 3.26Å; G530-L532 PolarHBondContact O-N 2.92Å; G530-L532 VanDerWaalsContact O-N 3.11Å; G530-A533 PolarHBondContact O-N 2.69Å; G530-L534 PolarHBondContact O-N 3.03Å |
| 531 | V | 93.6 | Very high | 85.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -47.7 | -43.7 | -175.9 | -179.9 | 0 | 0 | 0 | 0 | 113 | L474 L521 I522 L535 F549 L553 F575 I577 W591 | L474-V531 HydrophobicContact CD2-CG1 3.73Å; L521-V531 WeakPolarHBondContact O-CG2 3.41Å; L521-V531 PolarHBondContact O-N 3.47Å; I522-V531 PolarHBondContact O-N 3.24Å; V531-L535 WeakPolarHBondContact O-CB 3.33Å; V531-L535 PolarHBondContact O-N 2.89Å; V531-L535 VanDerWaalsContact O-N 3.08Å; V531-F549 HydrophobicContact CG1-CZ 4.05Å; V531-L553 HydrophobicContact CG1-CD2 4.48Å; V531-L553 HydrophobicContact CG2-CD1 3.8Å; V531-L553 HydrophobicContact CG2-CD2 4.31Å; V531-F575 HydrophobicContact CG1-CZ 4.24Å; V531-I577 HydrophobicContact CG2-CD1 4.3Å; V531-W591 HydrophobicContact CG1-CZ3 4.33Å |
| 532 | L | 91.9 | Very high | 84 | Confident | 5 Ų | 5 | 47.3 Ų | 47.3 | 3% | 0.026 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -71 | -39.6 | 179.5 | -66.4 | 175 | 0 | 0 | 0 | 112.7 | F471 Y478 I522 G530 L535 D536 | F471-L532 HydrophobicContact CE2-CD2 3.99Å; Y478-L532 HydrophobicContact CE1-CD1 4.2Å; I522-L532 HydrophobicContact CG2-CD1 3.95Å; I522-L532 HydrophobicContact CG2-CG 3.94Å; I522-L532 WeakPolarHBondContact O-CB 2.93Å; I522-L532 WeakPolarHBondContact O-CG 3.34Å; I522-L532 PolarHBondContact O-N 2.84Å; G530-L532 VanDerWaalsContact C-N 3.26Å; G530-L532 PolarHBondContact O-N 2.92Å; G530-L532 VanDerWaalsContact O-N 3.11Å; L532-L535 PolarHBondContact O-N 2.72Å; L532-D536 VanDerWaalsContact O-CG 3.24Å; L532-D536 PolarHBondContact O-N 2.92Å |
| 533 | A | 88.4 | Confident | 83.4 | Confident | 18 Ų | 18 | 56 Ų | 56 | 15% | 0.149 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.5 | -44.9 | 179 | 0 | 0 | 0 | 0 | 0 | 111 | P529 G530 L535 D536 E537 | P529-A533 HydrophobicContact CB-CB 4.01Å; G530-A533 PolarHBondContact O-N 2.69Å; A533-L535 VanDerWaalsContact C-N 3.29Å; A533-L535 PolarHBondContact O-N 2.59Å; A533-D536 PolarHBondContact O-N 3.37Å; A533-E537 WeakPolarHBondContact O-CG 3.42Å; A533-E537 PolarHBondContact O-N 3.45Å |
| 534 | L | 91.5 | Very high | 83.1 | Confident | 2 Ų | 2 | 55.1 Ų | 55.1 | 1% | 0.01 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62 | -36.7 | 174.4 | -65 | 175.9 | 0 | 0 | 0 | 112.2 | P529 G530 E538 F549 K552 L553 E556 | P529-L534 HydrophobicContact CB-CD2 3.83Å; P529-L534 HydrophobicContact CB-CG 4.05Å; P529-L534 HydrophobicContact CG-CD2 4.2Å; P529-L534 WeakPolarHBondContact O-CD1 3.21Å; G530-L534 PolarHBondContact O-N 3.03Å; L534-E538 WeakPolarHBondContact O-CB 3.35Å; L534-E538 VanDerWaalsContact O-CG 3.27Å; L534-E538 WeakPolarHBondContact O-CG 3.37Å; L534-E538 PolarHBondContact O-N 2.94Å; L534-E538 VanDerWaalsContact O-N 3.07Å; L534-F549 HydrophobicContact CB-CD2 4.44Å; L534-F549 HydrophobicContact CB-CE2 4.13Å; L534-K552 HydrophobicContact CD2-CD 4.21Å; L534-K552 HydrophobicContact CD2-CG 4.29Å; L534-L553 HydrophobicContact CD1-CB 4.37Å; L534-L553 HydrophobicContact CD1-CD1 3.89Å; L534-E556 HydrophobicContact CD1-CB 4.01Å; L534-E556 HydrophobicContact CD1-CG 4.11Å; L534-E556 HydrophobicContact CD2-CG 4.08Å |
| 535 | L | 90.8 | Very high | 83.2 | Confident | 1 Ų | 1 | 54 Ų | 54 | 1% | 0.005 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -68.9 | -39.9 | 176.9 | -172.1 | 68.3 | 0 | 0 | 0 | 111.8 | F471 V531 L532 A533 C539 F549 W591 L592 N595 | F471-L535 HydrophobicContact CD2-CD2 3.69Å; F471-L535 HydrophobicContact CE2-CD2 3.38Å; F471-L535 HydrophobicContact CZ-CD2 4.13Å; V531-L535 WeakPolarHBondContact O-CB 3.33Å; V531-L535 PolarHBondContact O-N 2.89Å; V531-L535 VanDerWaalsContact O-N 3.08Å; L532-L535 PolarHBondContact O-N 2.72Å; A533-L535 VanDerWaalsContact C-N 3.29Å; A533-L535 PolarHBondContact O-N 2.59Å; L535-C539 WeakPolarHBondContact O-CB 3.33Å; L535-C539 PolarHBondContact O-N 3.44Å; L535-C539 PolarHBondContact O-SG 2.8Å; L535-F549 HydrophobicContact CB-CD2 4.22Å; L535-F549 HydrophobicContact CB-CE2 3.64Å; L535-F549 HydrophobicContact CB-CZ 4.05Å; L535-F549 HydrophobicContact CD1-CD1 4.05Å; L535-F549 HydrophobicContact CD1-CD2 3.92Å; L535-F549 HydrophobicContact CD1-CE1 3.96Å; L535-F549 HydrophobicContact CD1-CE2 3.85Å; L535-F549 HydrophobicContact CD1-CG 4.02Å; L535-F549 HydrophobicContact CD1-CZ 3.86Å; L535-F549 HydrophobicContact CG-CE2 4.35Å; L535-F549 HydrophobicContact CG-CZ 4.47Å; L535-W591 HydrophobicContact CD1-CB 3.91Å; L535-W591 HydrophobicContact CD1-CE3 4.37Å; L535-W591 HydrophobicContact CD2-CE3 4.11Å; L535-L592 HydrophobicContact CD1-CD2 3.8Å; L535-N595 HydrophobicContact CD2-CB 3.87Å; L535-N595 HydrophobicContact CG-CB 4.2Å |
| 536 | D | 85.8 | Confident | 83.8 | Confident | 15 Ų | 15 | 51.9 Ų | 51.9 | 8% | 0.08 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -65.9 | -42.3 | 176.4 | -69.9 | -24 | 0 | 0 | 0 | 112.2 | L532 A533 C539 W540 N595 T652 Q655 | L532-D536 VanDerWaalsContact O-CG 3.24Å; L532-D536 PolarHBondContact O-N 2.92Å; A533-D536 PolarHBondContact O-N 3.37Å; D536-C539 WeakPolarHBondContact O-CB 3.43Å; D536-C539 PolarHBondContact O-N 3.39Å; D536-W540 PolarHBondContact O-N 2.76Å; D536-N595 PolarHBondContact OD1-ND2 3.46Å; D536-T652 HydrophobicContact CB-CG2 4.43Å; D536-T652 VanDerWaalsContact OD1-CB 3.28Å; D536-T652 WeakPolarHBondContact OD1-CB 3.14Å; D536-T652 WeakPolarHBondContact OD1-CG2 3.09Å; D536-T652 PolarHBondContact OD1-OG1 3.27Å; D536-Q655 WeakPolarHBondContact OD2-CG 3.44Å; D536-Q655 PolarHBondContact OD2-NE2 3.06Å |
| 537 | E | 84.2 | Confident | 84.3 | Confident | 83 Ų | 83 | 50.1 Ų | 50.1 | 39% | 0.388 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -60.8 | -49.3 | 174.4 | -75.5 | 179 | -169 | 0 | 0 | 112.2 | A533 C539 W540 F541 K552 | A533-E537 WeakPolarHBondContact O-CG 3.42Å; A533-E537 PolarHBondContact O-N 3.45Å; E537-C539 VanDerWaalsContact C-N 3.26Å; E537-C539 PolarHBondContact O-N 3Å; E537-W540 PolarHBondContact O-N 2.7Å; E537-F541 PolarHBondContact O-N 3.37Å; E537-K552 WeakPolarHBondContact OE2-CE 3.48Å; E537-K552 IonicContact OE2-NZ 2.89Å; E537-K552 PolarHBondContact OE2-NZ 3Å |
| 538 | E | 87 | Confident | 85.2 | Confident | 20 Ų | 20 | 45.2 Ų | 45.2 | 9% | 0.093 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.3 | -31.5 | 178.7 | -67.1 | -69.9 | 111.9 | 0 | 0 | 111.1 | L534 W540 F541 A544 S548 F549 K552 L592 | L534-E538 WeakPolarHBondContact O-CB 3.35Å; L534-E538 VanDerWaalsContact O-CG 3.27Å; L534-E538 WeakPolarHBondContact O-CG 3.37Å; L534-E538 PolarHBondContact O-N 2.94Å; L534-E538 VanDerWaalsContact O-N 3.07Å; E538-W540 PolarHBondContact O-N 2.7Å; E538-F541 PolarHBondContact O-N 2.72Å; E538-F541 VanDerWaalsContact O-N 3.14Å; E538-A544 HydrophobicContact CB-CB 4.06Å; E538-A544 WeakPolarHBondContact O-CB 3.07Å; E538-S548 WeakPolarHBondContact OE2-CB 3.35Å; E538-S548 PolarHBondContact OE2-OG 2.78Å; E538-F549 HydrophobicContact CB-CB 4.38Å; E538-F549 HydrophobicContact CG-CB 4.09Å; E538-F549 HydrophobicContact CG-CD2 4.32Å; E538-K552 HydrophobicContact CG-CD 4.05Å; E538-K552 WeakPolarHBondContact OE1-CD 2.94Å; E538-K552 IonicContact OE1-NZ 2.81Å; E538-K552 PolarHBondContact OE1-NZ 3.23Å; E538-L592 HydrophobicContact CB-CD2 3.63Å |
| 539 | C | 80.6 | Confident | 85.6 | Confident | 7 Ų | 7 | 42.6 Ų | 42.6 | 5% | 0.047 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -63.5 | -21.5 | 171.6 | -74.1 | 0 | 0 | 0 | 0 | 113.5 | L535 D536 E537 N595 M596 | L535-C539 WeakPolarHBondContact O-CB 3.33Å; L535-C539 PolarHBondContact O-N 3.44Å; L535-C539 PolarHBondContact O-SG 2.8Å; D536-C539 WeakPolarHBondContact O-CB 3.43Å; D536-C539 PolarHBondContact O-N 3.39Å; E537-C539 VanDerWaalsContact C-N 3.26Å; E537-C539 PolarHBondContact O-N 3Å; C539-N595 PolarHBondContact SG-ND2 2.57Å; C539-M596 HydrophobicContact CB-CG 3.7Å; C539-M596 HydrophobicContact CB-SD 4.2Å; C539-M596 WeakPolarHBondContact O-CE 3.42Å |
| 540 | W | 71.7 | Confident | 85.7 | Confident | 112 Ų | 112 | 42.2 Ų | 42.2 | 42% | 0.424 | 21% | 0.211 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -5.5 | 176.1 | -63.4 | -14 | 0 | 0 | 0 | 113 | D536 E537 E538 M634 | D536-W540 PolarHBondContact O-N 2.76Å; E537-W540 PolarHBondContact O-N 2.7Å; E538-W540 PolarHBondContact O-N 2.7Å; W540-M634 HydrophobicContact CB-CE 4.13Å; W540-M634 WeakPolarHBondContact O-CE 3.03Å |
| 541 | F | 74.6 | Confident | 85.6 | Confident | 128 Ų | 128 | 46.2 Ų | 46.2 | 56% | 0.561 | 23% | 0.229 | S | C | * | . | S | Bend | trans | -95.3 | 115.5 | -176.9 | -164.6 | -100.8 | 0 | 0 | 0 | 111.9 | E537 E538 K543 A544 | E537-F541 PolarHBondContact O-N 3.37Å; E538-F541 PolarHBondContact O-N 2.72Å; E538-F541 VanDerWaalsContact O-N 3.14Å; F541-K543 HydrophobicContact CE1-CB 4.28Å; F541-K543 PolarHBondContact O-N 2.69Å; F541-A544 HydrophobicContact CB-CB 4.1Å; F541-A544 HydrophobicContact CD1-CB 4.31Å; F541-A544 WeakPolarHBondContact O-CB 2.97Å; F541-A544 PolarHBondContact O-N 3.39Å |
| 542 | P | 69.4 | Low | 85.4 | Confident | 71 Ų | 71 | 48.8 Ų | 48.8 | 46% | 0.461 | 24% | 0.241 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -10.2 | -166 | -25.1 | 33.2 | 0 | 0 | 0 | 117.5 | M634 T635 | P542-M634 HydrophobicContact CG-CB 4.1Å; P542-M634 WeakPolarHBondContact CG-O 3.45Å; P542-T635 HydrophobicContact CB-CG2 4.49Å |
| 543 | K | 78.5 | Confident | 85.4 | Confident | 183 Ų | 183 | 48.5 Ų | 48.5 | 80% | 0.796 | 24% | 0.239 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -124 | 10.2 | -179.5 | -66.7 | 178.2 | 179.7 | 170.7 | 0 | 113 | F541 | F541-K543 HydrophobicContact CE1-CB 4.28Å; F541-K543 PolarHBondContact O-N 2.69Å |
| 544 | A | 83.3 | Confident | 85.4 | Confident | 20 Ų | 20 | 48.7 Ų | 48.7 | 17% | 0.165 | 24% | 0.239 | C | C | . | . | trans | -67 | 157.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | E538 F541 S548 L592 | E538-A544 HydrophobicContact CB-CB 4.06Å; E538-A544 WeakPolarHBondContact O-CB 3.07Å; F541-A544 HydrophobicContact CB-CB 4.1Å; F541-A544 HydrophobicContact CD1-CB 4.31Å; F541-A544 WeakPolarHBondContact O-CB 2.97Å; F541-A544 PolarHBondContact O-N 3.39Å; A544-S548 WeakPolarHBondContact CA-OG 3.26Å; A544-L592 HydrophobicContact CB-CD1 3.87Å | ||
| 545 | T | 87.6 | Confident | 85.3 | Confident | 73 Ų | 73 | 53.7 Ų | 53.7 | 45% | 0.448 | 27% | 0.27 | S | S | . | . | trans | -141.3 | 160.1 | 175.8 | 57.5 | 0 | 0 | 0 | 0 | 108.5 | K547 S548 F549 | T545-K547 PolarHBondContact O-N 3.02Å; T545-S548 PolarHBondContact N-OG 2.8Å; T545-S548 PolarHBondContact O-N 2.98Å; T545-S548 PolarHBondContact O-OG 2.8Å; T545-S548 PolarHBondContact OG1-N 3.22Å; T545-F549 PolarHBondContact O-N 3.32Å | ||
| 546 | D | 89.6 | Confident | 85.2 | Confident | 33 Ų | 33 | 57.6 Ų | 57.6 | 18% | 0.176 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -57.6 | -23.7 | 176.6 | -51 | -58.4 | 0 | 0 | 0 | 112.3 | V550 A588 A590 W591 L592 | D546-V550 WeakPolarHBondContact O-CG2 3.35Å; D546-V550 PolarHBondContact O-N 2.86Å; D546-V550 VanDerWaalsContact O-N 3.17Å; D546-A588 VanDerWaalsContact CB-O 3.28Å; D546-A588 WeakPolarHBondContact CB-O 3.46Å; D546-A588 VanDerWaalsContact CG-O 3.3Å; D546-A590 WeakPolarHBondContact OD2-CA 3.12Å; D546-A590 PolarHBondContact OD2-N 2.92Å; D546-W591 PolarHBondContact OD1-N 3.14Å; D546-L592 PolarHBondContact OD1-N 3.4Å |
| 547 | K | 88.6 | Confident | 85.4 | Confident | 79 Ų | 79 | 57.1 Ų | 57.1 | 34% | 0.343 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -72.7 | -43 | 171.1 | -179.6 | -176.8 | 168.8 | -70.1 | 0 | 113.2 | T545 F549 V550 E551 K572 T573 | T545-K547 PolarHBondContact O-N 3.02Å; K547-F549 VanDerWaalsContact C-N 3.3Å; K547-V550 PolarHBondContact O-N 2.92Å; K547-E551 WeakPolarHBondContact CE-OE1 2.84Å; K547-E551 IonicContact NZ-OE1 3.67Å; K547-E551 PolarHBondContact NZ-OE1 3.26Å; K547-E551 IonicContact NZ-OE2 2.71Å; K547-E551 PolarHBondContact NZ-OE2 2.91Å; K547-E551 WeakPolarHBondContact O-CB 2.92Å; K547-E551 WeakPolarHBondContact O-CG 3.29Å; K547-E551 PolarHBondContact O-N 3.45Å; K547-K572 HydrophobicContact CD-CB 4.38Å; K547-K572 HydrophobicContact CG-CB 4.31Å; K547-T573 HydrophobicContact CB-CG2 4.18Å |
| 548 | S | 89.9 | Confident | 85.4 | Confident | 32 Ų | 32 | 54.5 Ų | 54.5 | 22% | 0.224 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -39.7 | 176 | 65.5 | 0 | 0 | 0 | 0 | 110.8 | E538 A544 T545 V550 E551 K552 | E538-S548 WeakPolarHBondContact OE2-CB 3.35Å; E538-S548 PolarHBondContact OE2-OG 2.78Å; A544-S548 WeakPolarHBondContact CA-OG 3.26Å; T545-S548 PolarHBondContact N-OG 2.8Å; T545-S548 PolarHBondContact O-N 2.98Å; T545-S548 PolarHBondContact O-OG 2.8Å; T545-S548 PolarHBondContact OG1-N 3.22Å; S548-V550 PolarHBondContact O-N 2.75Å; S548-E551 PolarHBondContact O-N 2.94Å; S548-K552 VanDerWaalsContact O-CB 3.28Å; S548-K552 WeakPolarHBondContact O-CB 3.44Å; S548-K552 PolarHBondContact O-N 3.47Å |
| 549 | F | 92.4 | Very high | 85.3 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -56 | -48.9 | 171.6 | 166.7 | -110.3 | 0 | 0 | 0 | 112.5 | V531 L534 L535 E538 T545 K547 K552 L553 F575 A588 W591 | V531-F549 HydrophobicContact CG1-CZ 4.05Å; L534-F549 HydrophobicContact CB-CD2 4.44Å; L534-F549 HydrophobicContact CB-CE2 4.13Å; L535-F549 HydrophobicContact CB-CD2 4.22Å; L535-F549 HydrophobicContact CB-CE2 3.64Å; L535-F549 HydrophobicContact CB-CZ 4.05Å; L535-F549 HydrophobicContact CD1-CD1 4.05Å; L535-F549 HydrophobicContact CD1-CD2 3.92Å; L535-F549 HydrophobicContact CD1-CE1 3.96Å; L535-F549 HydrophobicContact CD1-CE2 3.85Å; L535-F549 HydrophobicContact CD1-CG 4.02Å; L535-F549 HydrophobicContact CD1-CZ 3.86Å; L535-F549 HydrophobicContact CG-CE2 4.35Å; L535-F549 HydrophobicContact CG-CZ 4.47Å; E538-F549 HydrophobicContact CB-CB 4.38Å; E538-F549 HydrophobicContact CG-CB 4.09Å; E538-F549 HydrophobicContact CG-CD2 4.32Å; T545-F549 PolarHBondContact O-N 3.32Å; K547-F549 VanDerWaalsContact C-N 3.3Å; F549-K552 PolarHBondContact O-N 3.05Å; F549-L553 HydrophobicContact CZ-CD2 4.21Å; F549-L553 VanDerWaalsContact O-CB 3.25Å; F549-L553 WeakPolarHBondContact O-CB 3.24Å; F549-L553 PolarHBondContact O-N 2.91Å; F549-F575 HydrophobicContact CE1-CE1 4.26Å; F549-A588 HydrophobicContact CD1-CB 4.13Å; F549-A588 HydrophobicContact CE1-CB 4.21Å; F549-W591 AromaticContact CE1-CE3 3.76Å; F549-W591 HydrophobicContact CE1-CE3 3.76Å; F549-W591 HydrophobicContact CE1-CZ3 4.14Å; F549-W591 HydrophobicContact CZ-CE3 4.14Å; F549-W591 HydrophobicContact CZ-CZ3 4.3Å |
| 550 | V | 90.7 | Very high | 85.8 | Confident | 5 Ų | 5 | 60.7 Ų | 60.7 | 3% | 0.03 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -69.2 | -35 | 178.1 | 172 | 0 | 0 | 0 | 0 | 112.6 | D546 K547 S548 C554 F575 A588 | D546-V550 WeakPolarHBondContact O-CG2 3.35Å; D546-V550 PolarHBondContact O-N 2.86Å; D546-V550 VanDerWaalsContact O-N 3.17Å; K547-V550 PolarHBondContact O-N 2.92Å; S548-V550 PolarHBondContact O-N 2.75Å; V550-C554 VanDerWaalsContact O-CB 3.25Å; V550-C554 WeakPolarHBondContact O-CB 3.03Å; V550-C554 PolarHBondContact O-N 2.89Å; V550-C554 PolarHBondContact O-SG 3.34Å; V550-F575 HydrophobicContact CG2-CD1 4.11Å; V550-A588 HydrophobicContact CG2-CB 3.41Å; V550-A588 VanDerWaalsContact CG2-CB 3.41Å |
| 551 | E | 88.4 | Confident | 86.6 | Confident | 83 Ų | 83 | 60.3 Ų | 60.3 | 39% | 0.388 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -66.9 | -41.3 | 175 | -75.1 | 171.6 | 155.8 | 0 | 0 | 111.5 | K547 S548 C554 T555 | K547-E551 WeakPolarHBondContact CE-OE1 2.84Å; K547-E551 IonicContact NZ-OE1 3.67Å; K547-E551 PolarHBondContact NZ-OE1 3.26Å; K547-E551 IonicContact NZ-OE2 2.71Å; K547-E551 PolarHBondContact NZ-OE2 2.91Å; K547-E551 WeakPolarHBondContact O-CB 2.92Å; K547-E551 WeakPolarHBondContact O-CG 3.29Å; K547-E551 PolarHBondContact O-N 3.45Å; S548-E551 PolarHBondContact O-N 2.94Å; E551-C554 PolarHBondContact O-N 3.22Å; E551-T555 PolarHBondContact O-N 2.75Å; E551-T555 VanDerWaalsContact O-N 3.16Å; E551-T555 PolarHBondContact O-OG1 2.99Å |
| 552 | K | 89.6 | Confident | 87.5 | Confident | 54 Ų | 54 | 56.7 Ų | 56.7 | 24% | 0.235 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.9 | -47.6 | 173.3 | -170.4 | 179.5 | -178.7 | -170.6 | 0 | 111.9 | L534 E537 E538 S548 F549 C554 T555 E556 | L534-K552 HydrophobicContact CD2-CD 4.21Å; L534-K552 HydrophobicContact CD2-CG 4.29Å; E537-K552 WeakPolarHBondContact OE2-CE 3.48Å; E537-K552 IonicContact OE2-NZ 2.89Å; E537-K552 PolarHBondContact OE2-NZ 3Å; E538-K552 HydrophobicContact CG-CD 4.05Å; E538-K552 WeakPolarHBondContact OE1-CD 2.94Å; E538-K552 IonicContact OE1-NZ 2.81Å; E538-K552 PolarHBondContact OE1-NZ 3.23Å; S548-K552 VanDerWaalsContact O-CB 3.28Å; S548-K552 WeakPolarHBondContact O-CB 3.44Å; S548-K552 PolarHBondContact O-N 3.47Å; F549-K552 PolarHBondContact O-N 3.05Å; K552-C554 VanDerWaalsContact C-N 3.34Å; K552-C554 PolarHBondContact O-N 2.77Å; K552-T555 WeakPolarHBondContact O-CA 2.96Å; K552-T555 VanDerWaalsContact O-CB 3.31Å; K552-T555 WeakPolarHBondContact O-CB 3.31Å; K552-T555 PolarHBondContact O-N 2.75Å; K552-E556 PolarHBondContact O-N 3.29Å |
| 553 | L | 90.7 | Very high | 88.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.2 | -41.7 | 175 | 177.8 | 61.7 | 0 | 0 | 0 | 112.3 | V531 L534 F549 T555 Q557 F563 F575 | V531-L553 HydrophobicContact CG1-CD2 4.48Å; V531-L553 HydrophobicContact CG2-CD1 3.8Å; V531-L553 HydrophobicContact CG2-CD2 4.31Å; L534-L553 HydrophobicContact CD1-CB 4.37Å; L534-L553 HydrophobicContact CD1-CD1 3.89Å; F549-L553 HydrophobicContact CZ-CD2 4.21Å; F549-L553 VanDerWaalsContact O-CB 3.25Å; F549-L553 WeakPolarHBondContact O-CB 3.24Å; F549-L553 PolarHBondContact O-N 2.91Å; L553-T555 PolarHBondContact O-N 3.33Å; L553-Q557 HydrophobicContact CD1-CB 4.04Å; L553-Q557 HydrophobicContact CD1-CG 3.81Å; L553-Q557 PolarHBondContact O-N 3.09Å; L553-F563 HydrophobicContact CD1-CE2 4.29Å; L553-F563 HydrophobicContact CD2-CE2 3.94Å; L553-F563 HydrophobicContact CD2-CZ 4.39Å; L553-F563 HydrophobicContact CG-CE2 3.83Å; L553-F563 HydrophobicContact CG-CZ 4Å; L553-F575 HydrophobicContact CD2-CD1 3.91Å; L553-F575 HydrophobicContact CD2-CD2 3.92Å; L553-F575 HydrophobicContact CD2-CE1 3.88Å; L553-F575 HydrophobicContact CD2-CE2 3.89Å; L553-F575 HydrophobicContact CD2-CG 3.92Å; L553-F575 HydrophobicContact CD2-CZ 3.86Å |
| 554 | C | 89 | Confident | 89.1 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 14% | 0.142 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -69.1 | -13 | 174.2 | -72.8 | 0 | 0 | 0 | 0 | 113.9 | V550 E551 K552 G558 K565 | V550-C554 VanDerWaalsContact O-CB 3.25Å; V550-C554 WeakPolarHBondContact O-CB 3.03Å; V550-C554 PolarHBondContact O-N 2.89Å; V550-C554 PolarHBondContact O-SG 3.34Å; E551-C554 PolarHBondContact O-N 3.22Å; K552-C554 VanDerWaalsContact C-N 3.34Å; K552-C554 PolarHBondContact O-N 2.77Å; C554-G558 WeakPolarHBondContact O-CA 3.23Å; C554-K565 WeakPolarHBondContact O-CE 3.37Å; C554-K565 PolarHBondContact O-NZ 3.47Å |
| 555 | T | 88.6 | Confident | 89 | Confident | 107 Ų | 107 | 52.6 Ų | 52.6 | 66% | 0.656 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -90 | -57.2 | 175.7 | -57.2 | 0 | 0 | 0 | 0 | 109.5 | E551 K552 L553 | E551-T555 PolarHBondContact O-N 2.75Å; E551-T555 VanDerWaalsContact O-N 3.16Å; E551-T555 PolarHBondContact O-OG1 2.99Å; K552-T555 WeakPolarHBondContact O-CA 2.96Å; K552-T555 VanDerWaalsContact O-CB 3.31Å; K552-T555 WeakPolarHBondContact O-CB 3.31Å; K552-T555 PolarHBondContact O-N 2.75Å; L553-T555 PolarHBondContact O-N 3.33Å |
| 556 | E | 88.6 | Confident | 88.2 | Confident | 83 Ų | 83 | 51.4 Ų | 51.4 | 39% | 0.388 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -63.8 | -48 | -178.7 | -66 | -60.3 | 134.4 | 0 | 0 | 113.6 | L534 K552 | L534-E556 HydrophobicContact CD1-CB 4.01Å; L534-E556 HydrophobicContact CD1-CG 4.11Å; L534-E556 HydrophobicContact CD2-CG 4.08Å; K552-E556 PolarHBondContact O-N 3.29Å |
| 557 | Q | 90 | Very high | 87 | Confident | 6 Ų | 6 | 58 Ų | 58 | 3% | 0.028 | 31% | 0.311 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -103.4 | 9.7 | -172.9 | -59.8 | -65.1 | -16.1 | 0 | 0 | 112.5 | L521 P529 L553 S559 H560 F563 | L521-Q557 HydrophobicContact CD1-CB 3.72Å; L521-Q557 HydrophobicContact CD1-CG 3.63Å; P529-Q557 PolarHBondContact O-NE2 3.46Å; L553-Q557 HydrophobicContact CD1-CB 4.04Å; L553-Q557 HydrophobicContact CD1-CG 3.81Å; L553-Q557 PolarHBondContact O-N 3.09Å; Q557-S559 PolarHBondContact O-N 3.12Å; Q557-H560 WeakPolarHBondContact O-CB 2.89Å; Q557-H560 PolarHBondContact O-N 2.83Å; Q557-F563 HydrophobicContact CB-CD1 4.49Å; Q557-F563 HydrophobicContact CB-CG 4.34Å; Q557-F563 WeakPolarHBondContact O-CD1 3.15Å |
| 558 | G | 84.4 | Confident | 85.8 | Confident | 27 Ų | 27 | 63.8 Ų | 63.8 | 28% | 0.278 | 34% | 0.339 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.6 | -14.4 | -166.7 | 0 | 0 | 0 | 0 | 0 | 116.6 | C554 K565 | C554-G558 WeakPolarHBondContact O-CA 3.23Å; G558-K565 WeakPolarHBondContact O-CE 2.93Å |
| 559 | S | 85.7 | Confident | 84.3 | Confident | 118 Ų | 118 | 67.1 Ų | 67.1 | 83% | 0.825 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -113.7 | -1.2 | 177.4 | 54.1 | 0 | 0 | 0 | 0 | 113.6 | Q557 | Q557-S559 PolarHBondContact O-N 3.12Š|
| 560 | H | 89.8 | Confident | 82.4 | Confident | 39 Ų | 39 | 76.6 Ų | 76.6 | 18% | 0.181 | 40% | 0.395 | C | S | . | . | trans | -70.6 | 130.5 | -173.5 | -174.9 | -96.3 | 0 | 0 | 0 | 111.5 | P517 L521 Q557 K562 F563 | P517-H560 PolarHBondContact O-CE1 2.78Å; L521-H560 HydrophobicContact CD1-CB 4.41Å; Q557-H560 WeakPolarHBondContact O-CB 2.89Å; Q557-H560 PolarHBondContact O-N 2.83Å; H560-K562 PolarHBondContact ND1-N 3.36Å; H560-K562 PolarHBondContact O-N 3.03Å; H560-F563 HydrophobicContact CB-CB 4.15Å; H560-F563 PolarHBondContact O-N 2.87Å | ||
| 561 | P | 90.1 | Very high | 80.9 | Confident | 105 Ų | 105 | 81.6 Ų | 81.6 | 68% | 0.682 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.7 | -12 | -169.9 | 24.7 | -35.4 | 0 | 0 | 0 | 115.6 | ||
| 562 | K | 92.1 | Very high | 79.9 | Confident | 51 Ų | 51 | 84.2 Ų | 84.2 | 22% | 0.222 | 43% | 0.431 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.7 | -0.3 | 171.9 | -57.2 | -77.1 | -174 | 164.2 | 0 | 113.5 | P517 C518 L521 H560 I577 I578 | P517-K562 HydrophobicContact CB-CG 4.47Å; C518-K562 HydrophobicContact CB-CB 4.49Å; C518-K562 HydrophobicContact CB-CD 4.26Å; C518-K562 HydrophobicContact CB-CG 4.14Å; L521-K562 HydrophobicContact CD2-CB 3.96Å; H560-K562 PolarHBondContact ND1-N 3.36Å; H560-K562 PolarHBondContact O-N 3.03Å; K562-I577 WeakPolarHBondContact O-CA 3.3Å; K562-I578 WeakPolarHBondContact CD-O 3.42Å; K562-I578 PolarHBondContact O-N 3.2Å |
| 563 | F | 93.1 | Very high | 79.6 | Confident | 16 Ų | 16 | 83 Ų | 83 | 7% | 0.07 | 43% | 0.429 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.7 | 144.9 | 179.7 | -177 | -100.8 | 0 | 0 | 0 | 110.7 | L521 L553 Q557 H560 K565 F575 | L521-F563 HydrophobicContact CD1-CB 4.23Å; L521-F563 HydrophobicContact CD2-CB 4.1Å; L553-F563 HydrophobicContact CD1-CE2 4.29Å; L553-F563 HydrophobicContact CD2-CE2 3.94Å; L553-F563 HydrophobicContact CD2-CZ 4.39Å; L553-F563 HydrophobicContact CG-CE2 3.83Å; L553-F563 HydrophobicContact CG-CZ 4Å; Q557-F563 HydrophobicContact CB-CD1 4.49Å; Q557-F563 HydrophobicContact CB-CG 4.34Å; Q557-F563 WeakPolarHBondContact O-CD1 3.15Å; H560-F563 HydrophobicContact CB-CB 4.15Å; H560-F563 PolarHBondContact O-N 2.87Å; F563-K565 HydrophobicContact CE1-CG 3.93Å; F563-F575 HydrophobicContact CD2-CD2 4.42Å; F563-F575 HydrophobicContact CE2-CB 3.97Å; F563-F575 AromaticContact CE2-CD2 3.7Å; F563-F575 HydrophobicContact CE2-CD2 3.7Å; F563-F575 HydrophobicContact CE2-CG 4.12Å; F563-F575 HydrophobicContact CZ-CB 4.06Å |
| 564 | Q | 89 | Confident | 79.4 | Confident | 69 Ų | 69 | 85.5 Ų | 85.5 | 32% | 0.322 | 44% | 0.44 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 132.5 | 173.4 | 167.4 | 171.4 | 106.6 | 0 | 0 | 111.2 | S576 | Q564-S576 PolarHBondContact N-O 2.94Å; Q564-S576 VanDerWaalsContact O-CB 3.28Å; Q564-S576 WeakPolarHBondContact O-CB 3.39Å; Q564-S576 PolarHBondContact O-N 2.67Å; Q564-S576 PolarHBondContact O-OG 3.01Å |
| 565 | K | 81.7 | Confident | 79.5 | Confident | 104 Ų | 104 | 84.5 Ų | 84.5 | 45% | 0.452 | 43% | 0.434 | S | S | . | . | trans | -73.7 | 146.3 | 176.4 | -61.8 | -175.4 | -177.9 | -171.5 | 0 | 110.6 | C554 G558 F563 | C554-K565 WeakPolarHBondContact O-CE 3.37Å; C554-K565 PolarHBondContact O-NZ 3.47Å; G558-K565 WeakPolarHBondContact O-CE 2.93Å; F563-K565 HydrophobicContact CE1-CG 3.93Å | ||
| 566 | P | 71.1 | Confident | 79.7 | Confident | 47 Ų | 47 | 79.5 Ų | 79.5 | 31% | 0.305 | 40% | 0.403 | S | S | . | . | trans | -64.1 | 141 | -177.1 | 28.5 | -38.5 | 0 | 0 | 0 | 112.5 | Q568 E574 | P566-Q568 PolarHBondContact O-N 3.48Å; P566-E574 WeakPolarHBondContact CD-O 3.17Å; P566-E574 VanDerWaalsContact CG-O 3.23Å; P566-E574 WeakPolarHBondContact CG-O 3.37Å | ||
| 567 | K | 64.4 | Low | 79.9 | Confident | 173 Ų | 173 | 75.5 Ų | 75.5 | 75% | 0.752 | 38% | 0.384 | S | S | * | . | S | Bend | trans | -80.5 | 81.2 | 179.9 | -69.3 | -174.6 | 179.2 | -179.8 | 0 | 112 | L569 | K567-L569 VanDerWaalsContact C-N 3.28Å; K567-L569 PolarHBondContact O-N 3.46Å; K567-L569 VanDerWaalsContact O-N 3.14Å |
| 568 | Q | 62.9 | Low | 80 | Confident | 199 Ų | 199 | 78.3 Ų | 78.3 | 93% | 0.93 | 40% | 0.399 | S | S | * | . | S | Bend | trans | 49.5 | 40.4 | 170.4 | -65.2 | -171.4 | -11.1 | 0 | 0 | 115.3 | P566 | P566-Q568 PolarHBondContact O-N 3.48Š|
| 569 | L | 58.1 | Low | 80.3 | Confident | 102 Ų | 102 | 77.3 Ų | 77.3 | 53% | 0.534 | 39% | 0.387 | S | S | . | . | trans | -73.6 | 155.3 | 170.4 | -67.2 | 168.6 | 0 | 0 | 0 | 110.6 | K567 D571 E574 | K567-L569 VanDerWaalsContact C-N 3.28Å; K567-L569 PolarHBondContact O-N 3.46Å; K567-L569 VanDerWaalsContact O-N 3.14Å; L569-D571 VanDerWaalsContact C-N 3.3Å; L569-E574 VanDerWaalsContact CD1-OE2 3.27Å; L569-E574 WeakPolarHBondContact CD1-OE2 3.35Å | ||
| 570 | K | 52.5 | Low | 80.3 | Confident | 199 Ų | 199 | 72.9 Ų | 72.9 | 87% | 0.865 | 35% | 0.352 | S | S | * | . | S | Bend | trans | -68.7 | -31.9 | -179.4 | -73.7 | -177.9 | 176.7 | 177.3 | 0 | 112.5 | ||
| 571 | D | 58.6 | Low | 79.8 | Confident | 111 Ų | 111 | 71.9 Ų | 71.9 | 59% | 0.594 | 35% | 0.351 | S | S | * | . | S | Bend | trans | -95.6 | 120.9 | -172.4 | -57.6 | -55.3 | 0 | 0 | 0 | 110.4 | L569 T573 | L569-D571 VanDerWaalsContact C-N 3.3Å; D571-T573 PolarHBondContact O-N 2.93Å; D571-T573 VanDerWaalsContact O-N 3.1Å |
| 572 | K | 68.3 | Low | 79.5 | Confident | 137 Ų | 137 | 68 Ų | 68 | 60% | 0.596 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | 32.6 | -168.8 | -63.6 | -171.1 | 172 | -167.8 | 0 | 113.8 | K547 | K547-K572 HydrophobicContact CD-CB 4.38Å; K547-K572 HydrophobicContact CG-CB 4.31Å |
| 573 | T | 82.5 | Confident | 79.3 | Confident | 29 Ų | 29 | 69.7 Ų | 69.7 | 18% | 0.178 | 34% | 0.337 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -133.4 | 21.6 | -170 | 57.3 | 0 | 0 | 0 | 0 | 113.2 | K547 D571 A588 | K547-T573 HydrophobicContact CB-CG2 4.18Å; D571-T573 PolarHBondContact O-N 2.93Å; D571-T573 VanDerWaalsContact O-N 3.1Å; T573-A588 VanDerWaalsContact O-CB 3.28Å; T573-A588 WeakPolarHBondContact O-CB 3.32Å; T573-A588 PolarHBondContact O-N 2.81Å |
| 574 | E | 88.1 | Confident | 79.2 | Confident | 52 Ų | 52 | 69 Ų | 69 | 24% | 0.243 | 33% | 0.334 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.9 | 146.9 | -179.6 | -56.6 | -165.2 | 145.7 | 0 | 0 | 111.8 | P566 L569 Y586 N587 | P566-E574 WeakPolarHBondContact CD-O 3.17Å; P566-E574 VanDerWaalsContact CG-O 3.23Å; P566-E574 WeakPolarHBondContact CG-O 3.37Å; L569-E574 VanDerWaalsContact CD1-OE2 3.27Å; L569-E574 WeakPolarHBondContact CD1-OE2 3.35Å; E574-Y586 VanDerWaalsContact CA-O 3.29Å; E574-Y586 WeakPolarHBondContact CA-O 3.17Å; E574-N587 HydrophobicContact CG-CB 4.08Å; E574-N587 PolarHBondContact OE1-ND2 2.95Å |
| 575 | F | 91.1 | Very high | 79.3 | Confident | 1 Ų | 1 | 69.2 Ų | 69.2 | 0% | 0.004 | 34% | 0.337 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -151.4 | 163.1 | 177.6 | 68.2 | -89.7 | 0 | 0 | 0 | 111.5 | V531 F549 V550 L553 F563 I577 Y586 A588 W591 | V531-F575 HydrophobicContact CG1-CZ 4.24Å; F549-F575 HydrophobicContact CE1-CE1 4.26Å; V550-F575 HydrophobicContact CG2-CD1 4.11Å; L553-F575 HydrophobicContact CD2-CD1 3.91Å; L553-F575 HydrophobicContact CD2-CD2 3.92Å; L553-F575 HydrophobicContact CD2-CE1 3.88Å; L553-F575 HydrophobicContact CD2-CE2 3.89Å; L553-F575 HydrophobicContact CD2-CG 3.92Å; L553-F575 HydrophobicContact CD2-CZ 3.86Å; F563-F575 HydrophobicContact CD2-CD2 4.42Å; F563-F575 HydrophobicContact CE2-CB 3.97Å; F563-F575 AromaticContact CE2-CD2 3.7Å; F563-F575 HydrophobicContact CE2-CD2 3.7Å; F563-F575 HydrophobicContact CE2-CG 4.12Å; F563-F575 HydrophobicContact CZ-CB 4.06Å; F575-I577 HydrophobicContact CD2-CG1 4.29Å; F575-I577 HydrophobicContact CE2-CD1 4.01Å; F575-I577 HydrophobicContact CE2-CG1 4.04Å; F575-Y586 HydrophobicContact CE2-CD2 4.13Å; F575-Y586 PolarHBondContact N-O 2.94Å; F575-Y586 PolarHBondContact O-N 2.83Å; F575-A588 HydrophobicContact CE1-CB 4.39Å; F575-W591 AromaticContact CE1-CH2 3.85Å; F575-W591 HydrophobicContact CE1-CH2 3.85Å; F575-W591 AromaticContact CE1-CZ3 3.96Å; F575-W591 HydrophobicContact CE1-CZ3 3.96Å; F575-W591 AromaticContact CZ-CH2 3.55Å; F575-W591 HydrophobicContact CZ-CH2 3.55Å; F575-W591 AromaticContact CZ-CZ3 3.71Å; F575-W591 HydrophobicContact CZ-CZ3 3.71Å |
| 576 | S | 91.8 | Very high | 79.8 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.6 | 140.6 | -175.3 | -47.3 | 0 | 0 | 0 | 0 | 112.7 | Q564 K583 V584 D585 | Q564-S576 PolarHBondContact N-O 2.94Å; Q564-S576 VanDerWaalsContact O-CB 3.28Å; Q564-S576 WeakPolarHBondContact O-CB 3.39Å; Q564-S576 PolarHBondContact O-N 2.67Å; Q564-S576 PolarHBondContact O-OG 3.01Å; S576-K583 WeakPolarHBondContact OG-CE 3.24Å; S576-K583 PolarHBondContact OG-NZ 2.7Å; S576-V584 WeakPolarHBondContact CA-O 3.34Å; S576-D585 WeakPolarHBondContact CB-OD1 3.42Å; S576-D585 PolarHBondContact OG-OD1 2.91Å |
| 577 | I | 93.6 | Very high | 80.7 | Confident | 0 Ų | 0 | 63.6 Ų | 63.6 | 0% | 0 | 31% | 0.309 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.4 | 140.4 | 165.5 | -58.9 | 178.7 | 0 | 0 | 0 | 109.6 | L474 L521 I522 V531 K562 F575 V584 Y586 | L474-I577 HydrophobicContact CD1-CD1 3.88Å; L521-I577 HydrophobicContact CD2-CD1 4.47Å; L521-I577 HydrophobicContact CD2-CG1 4.32Å; L521-I577 HydrophobicContact CD2-CG2 4.07Å; I522-I577 HydrophobicContact CD1-CD1 4.21Å; I522-I577 HydrophobicContact CG1-CD1 4.06Å; V531-I577 HydrophobicContact CG2-CD1 4.3Å; K562-I577 WeakPolarHBondContact O-CA 3.3Å; F575-I577 HydrophobicContact CD2-CG1 4.29Å; F575-I577 HydrophobicContact CE2-CD1 4.01Å; F575-I577 HydrophobicContact CE2-CG1 4.04Å; I577-V584 PolarHBondContact N-O 2.91Å; I577-V584 PolarHBondContact O-N 2.93Å; I577-Y586 HydrophobicContact CB-CE2 4.14Å; I577-Y586 HydrophobicContact CD1-CD2 4.48Å; I577-Y586 HydrophobicContact CD1-CE2 4.22Å; I577-Y586 HydrophobicContact CG1-CD2 4.4Å; I577-Y586 HydrophobicContact CG1-CE2 4.27Å |
| 578 | I | 91.7 | Very high | 82 | Confident | 64 Ų | 64 | 55.3 Ų | 55.3 | 33% | 0.328 | 27% | 0.274 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 94.4 | 174 | -53.3 | 176.4 | 0 | 0 | 0 | 108.1 | K562 | K562-I578 WeakPolarHBondContact CD-O 3.42Å; K562-I578 PolarHBondContact O-N 3.2Å |
| 579 | H | 89.7 | Confident | 83.2 | Confident | 6 Ų | 6 | 49.1 Ų | 49.1 | 3% | 0.028 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -83 | 168.8 | 177.6 | -71.7 | -83.5 | 0 | 0 | 0 | 111.8 | F463 E481 A581 G582 Y586 | F463-H579 HydrophobicContact CE2-CB 3.71Å; F463-H579 AromaticContact CE2-CG 3.81Å; F463-H579 AromaticContact CE2-ND1 3.97Å; F463-H579 HydrophobicContact CZ-CB 3.44Å; F463-H579 VanDerWaalsContact CZ-CB 3.44Å; F463-H579 AromaticContact CZ-CD2 3.87Å; F463-H579 AromaticContact CZ-CG 3.55Å; E481-H579 WeakPolarHBondContact OE2-CA 3.13Å; E481-H579 VanDerWaalsContact OE2-CB 3.24Å; E481-H579 WeakPolarHBondContact OE2-CB 2.95Å; E481-H579 IonicContact OE2-CE1 3.41Å; E481-H579 IonicContact OE2-CG 2.7Å; E481-H579 IonicContact OE2-ND1 2.71Å; E481-H579 PolarHBondContact OE2-ND1 2.78Å; H579-A581 PolarHBondContact O-N 2.8Å; H579-G582 WeakPolarHBondContact CB-O 3.47Å; H579-G582 PolarHBondContact N-O 2.78Å; H579-G582 PolarHBondContact O-N 2.77Å; H579-Y586 AromaticContact NE2-CE2 3.5Å; H579-Y586 WeakPolarHBondContact NE2-CE2 3.27Å; H579-Y586 AromaticContact NE2-CZ 3.6Å; H579-Y586 PolarHBondContact NE2-OH 3.24Å |
| 580 | Y | 85.5 | Confident | 84.5 | Confident | 26 Ų | 26 | 46 Ų | 46 | 10% | 0.102 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | -32.5 | 172.7 | 83.7 | -88.5 | 0 | 0 | 0 | 113.4 | F463 N480 E481 Q484 L515 G582 C701 | F463-Y580 HydrophobicContact CD2-CD1 4.41Å; F463-Y580 AromaticContact CD2-CE1 3.62Å; F463-Y580 HydrophobicContact CD2-CE1 3.62Å; F463-Y580 HydrophobicContact CE2-CD1 4.37Å; F463-Y580 HydrophobicContact CE2-CE1 4.01Å; N480-Y580 HydrophobicContact CB-CE1 4.08Å; E481-Y580 PolarHBondContact OE1-N 3.15Å; E481-Y580 PolarHBondContact OE2-N 2.87Å; Q484-Y580 HydrophobicContact CB-CD1 4.17Å; Q484-Y580 HydrophobicContact CB-CD2 4.35Å; Q484-Y580 HydrophobicContact CB-CE1 4.23Å; Q484-Y580 HydrophobicContact CB-CE2 4.41Å; Q484-Y580 HydrophobicContact CB-CG 4.23Å; Q484-Y580 HydrophobicContact CG-CD1 4.46Å; Q484-Y580 HydrophobicContact CG-CD2 3.9Å; Q484-Y580 HydrophobicContact CG-CE2 4.27Å; Q484-Y580 HydrophobicContact CG-CG 4Å; L515-Y580 HydrophobicContact CD1-CD1 4.45Å; L515-Y580 HydrophobicContact CD1-CG 4.17Å; Y580-G582 VanDerWaalsContact C-N 3.35Å; Y580-C701 HydrophobicContact CD2-CB 4.09Å; Y580-C701 VanDerWaalsContact CD2-O 3.29Å; Y580-C701 WeakPolarHBondContact CD2-O 3.17Å; Y580-C701 HydrophobicContact CE2-CB 4.45Å; Y580-C701 VanDerWaalsContact O-CB 3.29Å; Y580-C701 WeakPolarHBondContact O-CB 3.39Å; Y580-C701 PolarHBondContact O-SG 2.99Å |
| 581 | A | 79.6 | Confident | 86.2 | Confident | 18 Ų | 18 | 36.5 Ų | 36.5 | 15% | 0.149 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.1 | 17.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | F463 H579 | F463-A581 HydrophobicContact CD1-CB 3.69Å; F463-A581 HydrophobicContact CD2-CB 4Å; F463-A581 HydrophobicContact CE1-CB 3.83Å; F463-A581 HydrophobicContact CE2-CB 4.14Å; F463-A581 HydrophobicContact CG-CB 3.79Å; F463-A581 HydrophobicContact CZ-CB 4.07Å; H579-A581 PolarHBondContact O-N 2.8Å |
| 582 | G | 84.2 | Confident | 87.5 | Confident | 23 Ų | 23 | 32 Ų | 32 | 24% | 0.237 | 18% | 0.175 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 108 | -171 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | H579 Y580 | H579-G582 WeakPolarHBondContact CB-O 3.47Å; H579-G582 PolarHBondContact N-O 2.78Å; H579-G582 PolarHBondContact O-N 2.77Å; Y580-G582 VanDerWaalsContact C-N 3.35Å |
| 583 | K | 88.9 | Confident | 88 | Confident | 87 Ų | 87 | 28.2 Ų | 28.2 | 38% | 0.378 | 16% | 0.164 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 129.2 | -178.3 | -170.7 | -151.5 | 171.5 | -150.2 | 0 | 110.5 | S576 D585 | S576-K583 WeakPolarHBondContact OG-CE 3.24Å; S576-K583 PolarHBondContact OG-NZ 2.7Å; K583-D585 WeakPolarHBondContact CE-OD1 3.28Å; K583-D585 IonicContact NZ-OD1 2.65Å; K583-D585 PolarHBondContact NZ-OD1 3.45Å; K583-D585 IonicContact NZ-OD2 2.69Å; K583-D585 PolarHBondContact NZ-OD2 3.09Å |
| 584 | V | 89.6 | Confident | 87.9 | Confident | 0 Ų | 0 | 29.1 Ų | 29.1 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 132.2 | 171.5 | -173.1 | 0 | 0 | 0 | 0 | 109.9 | F463 I465 N469 S576 I577 Y586 | F463-V584 HydrophobicContact CE1-CG2 3.64Å; F463-V584 HydrophobicContact CZ-CG2 3.75Å; I465-V584 HydrophobicContact CD1-CG2 4.12Å; I465-V584 HydrophobicContact CG1-CG2 3.98Å; N469-V584 HydrophobicContact CB-CG1 4.03Å; S576-V584 WeakPolarHBondContact CA-O 3.34Å; I577-V584 PolarHBondContact N-O 2.91Å; I577-V584 PolarHBondContact O-N 2.93Å; V584-Y586 HydrophobicContact CB-CD2 4.46Å; V584-Y586 HydrophobicContact CB-CE2 3.77Å; V584-Y586 HydrophobicContact CG1-CD1 4.24Å; V584-Y586 HydrophobicContact CG1-CD2 4.23Å; V584-Y586 HydrophobicContact CG1-CE1 3.72Å; V584-Y586 HydrophobicContact CG1-CE2 3.74Å; V584-Y586 HydrophobicContact CG1-CG 4.46Å; V584-Y586 VanDerWaalsContact CG1-CZ 3.46Å |
| 585 | D | 91.3 | Very high | 87.6 | Confident | 74 Ų | 74 | 26.7 Ų | 26.7 | 40% | 0.396 | 15% | 0.154 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 120.3 | 172.7 | -73.5 | -52 | 0 | 0 | 0 | 109.7 | N469 S576 K583 | N469-D585 WeakPolarHBondContact CB-O 3.17Å; N469-D585 PolarHBondContact ND2-O 2.97Å; S576-D585 WeakPolarHBondContact CB-OD1 3.42Å; S576-D585 PolarHBondContact OG-OD1 2.91Å; K583-D585 WeakPolarHBondContact CE-OD1 3.28Å; K583-D585 IonicContact NZ-OD1 2.65Å; K583-D585 PolarHBondContact NZ-OD1 3.45Å; K583-D585 IonicContact NZ-OD2 2.69Å; K583-D585 PolarHBondContact NZ-OD2 3.09Å |
| 586 | Y | 92.2 | Very high | 86.9 | Confident | 1 Ų | 1 | 28.3 Ų | 28.3 | 0% | 0.004 | 16% | 0.162 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.2 | 135.7 | -177.2 | -66.4 | -76.5 | 0 | 0 | 0 | 111 | N469 Q473 L474 N477 E574 F575 I577 H579 V584 W591 | N469-Y586 HydrophobicContact CB-CD1 3.58Å; N469-Y586 HydrophobicContact CB-CE1 3.87Å; N469-Y586 HydrophobicContact CB-CG 4.45Å; N469-Y586 WeakPolarHBondContact O-CA 3.44Å; Q473-Y586 HydrophobicContact CB-CE1 4.38Å; L474-Y586 HydrophobicContact CB-CD1 4.05Å; L474-Y586 HydrophobicContact CB-CE1 3.74Å; L474-Y586 HydrophobicContact CD1-CD2 4.46Å; L474-Y586 HydrophobicContact CD1-CE1 4.23Å; L474-Y586 HydrophobicContact CD1-CE2 3.92Å; N477-Y586 WeakPolarHBondContact CB-OH 3.11Å; N477-Y586 PolarHBondContact ND2-OH 3.18Å; E574-Y586 VanDerWaalsContact CA-O 3.29Å; E574-Y586 WeakPolarHBondContact CA-O 3.17Å; F575-Y586 HydrophobicContact CE2-CD2 4.13Å; F575-Y586 PolarHBondContact N-O 2.94Å; F575-Y586 PolarHBondContact O-N 2.83Å; I577-Y586 HydrophobicContact CB-CE2 4.14Å; I577-Y586 HydrophobicContact CD1-CD2 4.48Å; I577-Y586 HydrophobicContact CD1-CE2 4.22Å; I577-Y586 HydrophobicContact CG1-CD2 4.4Å; I577-Y586 HydrophobicContact CG1-CE2 4.27Å; H579-Y586 AromaticContact NE2-CE2 3.5Å; H579-Y586 WeakPolarHBondContact NE2-CE2 3.27Å; H579-Y586 AromaticContact NE2-CZ 3.6Å; H579-Y586 PolarHBondContact NE2-OH 3.24Å; V584-Y586 HydrophobicContact CB-CD2 4.46Å; V584-Y586 HydrophobicContact CB-CE2 3.77Å; V584-Y586 HydrophobicContact CG1-CD1 4.24Å; V584-Y586 HydrophobicContact CG1-CD2 4.23Å; V584-Y586 HydrophobicContact CG1-CE1 3.72Å; V584-Y586 HydrophobicContact CG1-CE2 3.74Å; V584-Y586 HydrophobicContact CG1-CG 4.46Å; V584-Y586 VanDerWaalsContact CG1-CZ 3.46Å; Y586-W591 HydrophobicContact CD1-CH2 4.49Å; Y586-W591 HydrophobicContact CD1-CZ2 4.41Å; Y586-W591 HydrophobicContact CG-CH2 4.38Å |
| 587 | N | 90.7 | Very high | 86 | Confident | 32 Ų | 32 | 29.1 Ų | 29.1 | 17% | 0.171 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | 115.4 | 174.3 | -174.7 | -50.4 | 0 | 0 | 0 | 109.6 | V468 N469 E574 S589 W591 | V468-N587 HydrophobicContact CG1-CB 4.46Å; N469-N587 PolarHBondContact O-N 3.15Å; E574-N587 HydrophobicContact CG-CB 4.08Å; E574-N587 PolarHBondContact OE1-ND2 2.95Å; N587-S589 VanDerWaalsContact C-N 3.26Å; N587-S589 PolarHBondContact O-N 2.97Å; N587-S589 WeakPolarHBondContact OD1-CB 3.48Å; N587-S589 PolarHBondContact OD1-N 3.1Å; N587-W591 PolarHBondContact O-NE1 2.79Å |
| 588 | A | 91.2 | Very high | 84.9 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 17% | 0.169 | C | C | . | . | trans | -75.3 | -4 | -174.6 | 0 | 0 | 0 | 0 | 0 | 114.7 | D546 F549 V550 T573 F575 A590 W591 | D546-A588 VanDerWaalsContact CB-O 3.28Å; D546-A588 WeakPolarHBondContact CB-O 3.46Å; D546-A588 VanDerWaalsContact CG-O 3.3Å; F549-A588 HydrophobicContact CD1-CB 4.13Å; F549-A588 HydrophobicContact CE1-CB 4.21Å; V550-A588 HydrophobicContact CG2-CB 3.41Å; V550-A588 VanDerWaalsContact CG2-CB 3.41Å; T573-A588 VanDerWaalsContact O-CB 3.28Å; T573-A588 WeakPolarHBondContact O-CB 3.32Å; T573-A588 PolarHBondContact O-N 2.81Å; F575-A588 HydrophobicContact CE1-CB 4.39Å; A588-A590 PolarHBondContact O-N 3.05Å; A588-W591 VanDerWaalsContact CA-CD1 3.47Å; A588-W591 HydrophobicContact CB-CD2 4.35Å; A588-W591 HydrophobicContact CB-CG 4.39Å; A588-W591 VanDerWaalsContact O-CB 3.22Å; A588-W591 WeakPolarHBondContact O-CB 3.18Å; A588-W591 VanDerWaalsContact O-CG 3.22Å; A588-W591 PolarHBondContact O-N 2.69Å | ||
| 589 | S | 87.9 | Confident | 84.2 | Confident | 68 Ų | 68 | 27.2 Ų | 27.2 | 48% | 0.476 | 16% | 0.157 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.4 | 128.9 | -175.8 | -173.1 | 0 | 0 | 0 | 0 | 112.4 | N587 W591 | N587-S589 VanDerWaalsContact C-N 3.26Å; N587-S589 PolarHBondContact O-N 2.97Å; N587-S589 WeakPolarHBondContact OD1-CB 3.48Å; N587-S589 PolarHBondContact OD1-N 3.1Å; S589-W591 PolarHBondContact O-N 3.47Å |
| 590 | A | 85.2 | Confident | 83.6 | Confident | 36 Ų | 36 | 27.5 Ų | 27.5 | 30% | 0.298 | 16% | 0.159 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 61.8 | 12.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 116.3 | D546 A588 L592 T593 K594 | D546-A590 WeakPolarHBondContact OD2-CA 3.12Å; D546-A590 PolarHBondContact OD2-N 2.92Å; A588-A590 PolarHBondContact O-N 3.05Å; A590-L592 VanDerWaalsContact C-N 3.33Å; A590-L592 PolarHBondContact O-N 2.84Å; A590-T593 PolarHBondContact O-N 3.29Å; A590-T593 PolarHBondContact O-OG1 3.5Å; A590-K594 WeakPolarHBondContact O-CG 3.04Å; A590-K594 PolarHBondContact O-N 2.64Å |
| 591 | W | 89.1 | Confident | 83.3 | Confident | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -60.1 | -38.5 | -179.5 | -80.3 | 31.9 | 0 | 0 | 0 | 113.1 | S470 F471 L474 V531 L535 D546 F549 F575 Y586 N587 A588 S589 T593 K594 N595 | S470-W591 PolarHBondContact OG-NE1 3.16Å; F471-W591 HydrophobicContact CB-CD2 3.81Å; F471-W591 HydrophobicContact CB-CE3 4.4Å; F471-W591 HydrophobicContact CB-CG 3.94Å; F471-W591 HydrophobicContact CB-CZ2 4.4Å; F471-W591 HydrophobicContact CD2-CD2 4.27Å; F471-W591 HydrophobicContact CD2-CE3 4.04Å; F471-W591 HydrophobicContact CD2-CZ3 4.39Å; F471-W591 HydrophobicContact CG-CD2 4.47Å; F471-W591 VanDerWaalsContact N-CE2 3.26Å; F471-W591 VanDerWaalsContact N-NE1 3.15Å; L474-W591 HydrophobicContact CB-CH2 3.99Å; L474-W591 HydrophobicContact CD2-CH2 3.55Å; L474-W591 HydrophobicContact CD2-CZ3 3.53Å; L474-W591 HydrophobicContact CG-CH2 4.34Å; V531-W591 HydrophobicContact CG1-CZ3 4.33Å; L535-W591 HydrophobicContact CD1-CB 3.91Å; L535-W591 HydrophobicContact CD1-CE3 4.37Å; L535-W591 HydrophobicContact CD2-CE3 4.11Å; D546-W591 PolarHBondContact OD1-N 3.14Å; F549-W591 AromaticContact CE1-CE3 3.76Å; F549-W591 HydrophobicContact CE1-CE3 3.76Å; F549-W591 HydrophobicContact CE1-CZ3 4.14Å; F549-W591 HydrophobicContact CZ-CE3 4.14Å; F549-W591 HydrophobicContact CZ-CZ3 4.3Å; F575-W591 AromaticContact CE1-CH2 3.85Å; F575-W591 HydrophobicContact CE1-CH2 3.85Å; F575-W591 AromaticContact CE1-CZ3 3.96Å; F575-W591 HydrophobicContact CE1-CZ3 3.96Å; F575-W591 AromaticContact CZ-CH2 3.55Å; F575-W591 HydrophobicContact CZ-CH2 3.55Å; F575-W591 AromaticContact CZ-CZ3 3.71Å; F575-W591 HydrophobicContact CZ-CZ3 3.71Å; Y586-W591 HydrophobicContact CD1-CH2 4.49Å; Y586-W591 HydrophobicContact CD1-CZ2 4.41Å; Y586-W591 HydrophobicContact CG-CH2 4.38Å; N587-W591 PolarHBondContact O-NE1 2.79Å; A588-W591 VanDerWaalsContact CA-CD1 3.47Å; A588-W591 HydrophobicContact CB-CD2 4.35Å; A588-W591 HydrophobicContact CB-CG 4.39Å; A588-W591 VanDerWaalsContact O-CB 3.22Å; A588-W591 WeakPolarHBondContact O-CB 3.18Å; A588-W591 VanDerWaalsContact O-CG 3.22Å; A588-W591 PolarHBondContact O-N 2.69Å; S589-W591 PolarHBondContact O-N 3.47Å; W591-T593 VanDerWaalsContact C-N 3.33Å; W591-T593 PolarHBondContact O-N 2.86Å; W591-K594 PolarHBondContact O-N 3.25Å; W591-N595 WeakPolarHBondContact O-CB 3.35Å; W591-N595 PolarHBondContact O-N 2.7Å |
| 592 | L | 85.6 | Confident | 83.6 | Confident | 17 Ų | 17 | 29.2 Ų | 29.2 | 9% | 0.089 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.2 | -46.9 | 176.2 | -63 | 179.4 | 0 | 0 | 0 | 110.8 | L535 E538 A544 D546 A590 K594 N595 M596 | L535-L592 HydrophobicContact CD1-CD2 3.8Å; E538-L592 HydrophobicContact CB-CD2 3.63Å; A544-L592 HydrophobicContact CB-CD1 3.87Å; D546-L592 PolarHBondContact OD1-N 3.4Å; A590-L592 VanDerWaalsContact C-N 3.33Å; A590-L592 PolarHBondContact O-N 2.84Å; L592-K594 VanDerWaalsContact C-N 3.34Å; L592-K594 PolarHBondContact O-N 3.16Å; L592-N595 PolarHBondContact O-N 3.14Å; L592-M596 WeakPolarHBondContact O-CG 3.06Å; L592-M596 PolarHBondContact O-N 2.83Å |
| 593 | T | 78.6 | Confident | 83.7 | Confident | 58 Ų | 58 | 28.2 Ų | 28.2 | 36% | 0.356 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -67.5 | -32 | 178.1 | 71.4 | 0 | 0 | 0 | 0 | 113.2 | A590 W591 D597 | A590-T593 PolarHBondContact O-N 3.29Å; A590-T593 PolarHBondContact O-OG1 3.5Å; W591-T593 VanDerWaalsContact C-N 3.33Å; W591-T593 PolarHBondContact O-N 2.86Å; T593-D597 WeakPolarHBondContact O-CA 3Å; T593-D597 PolarHBondContact O-N 2.76Å |
| 594 | K | 80.5 | Confident | 83.6 | Confident | 47 Ų | 47 | 24.1 Ų | 24.1 | 20% | 0.204 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -72 | -35 | 176 | -75.4 | -176.2 | 171.4 | -162.7 | 0 | 112.8 | S470 F471 E472 A590 W591 L592 | S470-K594 PolarHBondContact OG-NZ 3.08Å; F471-K594 HydrophobicContact CB-CD 4.23Å; F471-K594 HydrophobicContact CD1-CB 4.26Å; E472-K594 WeakPolarHBondContact OE1-CE 3.36Å; E472-K594 IonicContact OE1-NZ 2.69Å; E472-K594 PolarHBondContact OE1-NZ 2.7Å; E472-K594 IonicContact OE2-NZ 2.7Å; E472-K594 PolarHBondContact OE2-NZ 2.72Å; A590-K594 WeakPolarHBondContact O-CG 3.04Å; A590-K594 PolarHBondContact O-N 2.64Å; W591-K594 PolarHBondContact O-N 3.25Å; L592-K594 VanDerWaalsContact C-N 3.34Å; L592-K594 PolarHBondContact O-N 3.16Å |
| 595 | N | 82.3 | Confident | 83.4 | Confident | 1 Ų | 1 | 27.1 Ų | 27.1 | 1% | 0.005 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -81 | -30 | -178.9 | -169.5 | 39.9 | 0 | 0 | 0 | 112.2 | F471 L535 D536 C539 W591 L592 T652 V653 G654 | F471-N595 HydrophobicContact CE1-CB 4.32Å; F471-N595 HydrophobicContact CZ-CB 4.22Å; F471-N595 WeakPolarHBondContact CZ-OD1 3.09Å; L535-N595 HydrophobicContact CD2-CB 3.87Å; L535-N595 HydrophobicContact CG-CB 4.2Å; D536-N595 PolarHBondContact OD1-ND2 3.46Å; C539-N595 PolarHBondContact SG-ND2 2.57Å; W591-N595 WeakPolarHBondContact O-CB 3.35Å; W591-N595 PolarHBondContact O-N 2.7Å; L592-N595 PolarHBondContact O-N 3.14Å; N595-T652 WeakPolarHBondContact O-CA 3.32Å; N595-T652 WeakPolarHBondContact O-CB 3.16Å; N595-T652 WeakPolarHBondContact OD1-CB 3.32Å; N595-V653 PolarHBondContact O-N 3.12Å; N595-V653 PolarHBondContact OD1-N 2.88Å; N595-G654 PolarHBondContact OD1-N 2.86Å |
| 596 | M | 74.9 | Confident | 83.4 | Confident | 35 Ų | 35 | 25.3 Ų | 25.3 | 17% | 0.172 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -78.9 | -37.9 | 170.8 | -64.3 | -177.2 | 90.4 | 0 | 0 | 113.6 | C539 L592 M631 | C539-M596 HydrophobicContact CB-CG 3.7Å; C539-M596 HydrophobicContact CB-SD 4.2Å; C539-M596 WeakPolarHBondContact O-CE 3.42Å; L592-M596 WeakPolarHBondContact O-CG 3.06Å; L592-M596 PolarHBondContact O-N 2.83Å; M596-M631 HydrophobicContact CE-CE 3.42Å; M596-M631 VanDerWaalsContact CE-CE 3.42Å; M596-M631 HydrophobicContact CE-CG 4.31Å; M596-M631 HydrophobicContact SD-CE 3.49Å; M596-M631 WeakPolarHBondContact SD-CE 3.48Å |
| 597 | D | 73.7 | Confident | 83.4 | Confident | 19 Ų | 19 | 25.4 Ų | 25.4 | 10% | 0.102 | 15% | 0.151 | C | C | . | . | trans | 39 | 55.1 | -173 | -156.7 | 48.5 | 0 | 0 | 0 | 114.1 | K268 T593 L599 V653 | K268-D597 VanDerWaalsContact CE-OD2 3.26Å; K268-D597 WeakPolarHBondContact CE-OD2 3.44Å; K268-D597 IonicContact NZ-OD2 3.96Å; K268-D597 PolarHBondContact NZ-OD2 2.86Å; T593-D597 WeakPolarHBondContact O-CA 3Å; T593-D597 PolarHBondContact O-N 2.76Å; D597-L599 VanDerWaalsContact O-CD1 3.22Å; D597-L599 WeakPolarHBondContact O-CD1 3.43Å; D597-V653 HydrophobicContact CB-CG2 4.3Å | ||
| 598 | P | 71.4 | Confident | 83.4 | Confident | 9 Ų | 9 | 27 Ų | 27 | 6% | 0.058 | 16% | 0.159 | C | C | . | . | trans | -71.6 | 142.4 | -171.2 | 31 | -37.4 | 0 | 0 | 0 | 112.6 | F419 M631 | F419-P598 HydrophobicContact CE1-CG 3.88Å; F419-P598 HydrophobicContact CZ-CG 4.08Å; P598-M631 HydrophobicContact CB-CE 3.87Å; P598-M631 HydrophobicContact CB-SD 4.48Å; P598-M631 HydrophobicContact CG-CE 3.71Å | ||
| 599 | L | 76.2 | Confident | 83.4 | Confident | 14 Ų | 14 | 30.9 Ų | 30.9 | 7% | 0.073 | 19% | 0.191 | C | C | . | . | B | Isolated β-bridge | trans | -117.3 | 163.5 | 179.5 | -91.7 | 75.4 | 0 | 0 | 0 | 112.4 | A423 A427 D597 T604 W619 I625 V626 G627 L628 | A423-L599 HydrophobicContact CB-CD1 4.39Å; A427-L599 HydrophobicContact CB-CD1 4.12Å; A427-L599 HydrophobicContact CB-CD2 3.73Å; A427-L599 HydrophobicContact CB-CG 4.46Å; D597-L599 VanDerWaalsContact O-CD1 3.22Å; D597-L599 WeakPolarHBondContact O-CD1 3.43Å; L599-T604 HydrophobicContact CB-CG2 4.1Å; L599-T604 HydrophobicContact CD2-CG2 3.66Å; L599-T604 HydrophobicContact CG-CG2 4.48Å; L599-W619 HydrophobicContact CD2-CH2 3.8Å; L599-W619 HydrophobicContact CD2-CZ3 3.93Å; L599-I625 HydrophobicContact CB-CG2 3.63Å; L599-I625 HydrophobicContact CD2-CD1 4.48Å; L599-I625 HydrophobicContact CD2-CG2 4.32Å; L599-I625 HydrophobicContact CG-CG2 4.45Å; L599-V626 PolarHBondContact N-O 3.06Å; L599-V626 VanDerWaalsContact N-O 3.09Å; L599-G627 WeakPolarHBondContact O-CA 3.12Å; L599-L628 WeakPolarHBondContact O-CD1 3.43Å; L599-L628 PolarHBondContact O-N 2.98Å |
| 600 | N | 78.2 | Confident | 83.7 | Confident | 12 Ų | 12 | 28.2 Ų | 28.2 | 6% | 0.064 | 17% | 0.173 | C | C | . | . | trans | -90.1 | 108.4 | 177.4 | -178.3 | -32.7 | 0 | 0 | 0 | 110.6 | S395 N602 V603 T604 L628 | S395-N600 PolarHBondContact O-ND2 3.46Å; N600-N602 PolarHBondContact O-N 2.66Å; N600-N602 VanDerWaalsContact O-N 3.15Å; N600-N602 WeakPolarHBondContact OD1-CB 3.24Å; N600-N602 PolarHBondContact OD1-N 2.69Å; N600-N602 VanDerWaalsContact OD1-N 3.13Å; N600-V603 HydrophobicContact CB-CB 4.37Å; N600-V603 HydrophobicContact CB-CG2 4.06Å; N600-V603 PolarHBondContact O-N 3.49Å; N600-T604 PolarHBondContact O-N 3.47Å; N600-T604 VanDerWaalsContact O-N 3.09Å; N600-L628 HydrophobicContact CB-CD1 4.45Å | ||
| 601 | D | 79 | Confident | 84.1 | Confident | 36 Ų | 36 | 31.8 Ų | 31.8 | 19% | 0.193 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -56.5 | -31 | -175.2 | -57.5 | -58.5 | 0 | 0 | 0 | 113.9 | V603 T604 S605 G627 L628 D629 | D601-V603 VanDerWaalsContact C-N 3.34Å; D601-T604 WeakPolarHBondContact CA-OG1 3.47Å; D601-T604 PolarHBondContact O-OG1 2.97Å; D601-T604 VanDerWaalsContact O-OG1 3.14Å; D601-S605 VanDerWaalsContact O-CB 3.23Å; D601-S605 WeakPolarHBondContact O-CB 2.97Å; D601-S605 PolarHBondContact O-N 3.27Å; D601-S605 PolarHBondContact O-OG 2.71Å; D601-G627 VanDerWaalsContact CG-CA 3.47Å; D601-G627 WeakPolarHBondContact OD1-CA 3.12Å; D601-G627 WeakPolarHBondContact OD2-CA 3.12Å; D601-L628 PolarHBondContact OD2-N 2.85Å; D601-D629 PolarHBondContact OD2-N 2.63Å |
| 602 | N | 84.7 | Confident | 84.2 | Confident | 44 Ų | 44 | 33.1 Ų | 33.1 | 24% | 0.235 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -70.2 | -36.1 | 179 | -50 | 130.4 | 0 | 0 | 0 | 111 | P399 R400 N600 L606 | P399-N602 VanDerWaalsContact CA-OD1 3.22Å; P399-N602 WeakPolarHBondContact CA-OD1 3.05Å; P399-N602 WeakPolarHBondContact CB-OD1 3.5Å; R400-N602 PolarHBondContact N-OD1 2.64Å; R400-N602 PolarHBondContact O-ND2 2.62Å; R400-N602 PolarHBondContact O-OD1 3.26Å; N600-N602 PolarHBondContact O-N 2.66Å; N600-N602 VanDerWaalsContact O-N 3.15Å; N600-N602 WeakPolarHBondContact OD1-CB 3.24Å; N600-N602 PolarHBondContact OD1-N 2.69Å; N600-N602 VanDerWaalsContact OD1-N 3.13Å; N602-L606 VanDerWaalsContact O-CB 3.31Å; N602-L606 WeakPolarHBondContact O-CB 3.46Å; N602-L606 PolarHBondContact O-N 2.69Å |
| 603 | V | 87.1 | Confident | 84.5 | Confident | 3 Ų | 3 | 39.7 Ų | 39.7 | 2% | 0.018 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -76.6 | -40.3 | 179.1 | -176 | 0 | 0 | 0 | 0 | 111.3 | F392 I396 L424 N600 D601 L606 L607 | F392-V603 HydrophobicContact CD2-CG1 4.21Å; F392-V603 HydrophobicContact CE2-CG1 4.13Å; I396-V603 HydrophobicContact CD1-CG2 3.78Å; I396-V603 HydrophobicContact CG1-CG2 4.16Å; L424-V603 HydrophobicContact CD1-CG1 4.2Å; L424-V603 HydrophobicContact CD2-CG1 3.9Å; N600-V603 HydrophobicContact CB-CB 4.37Å; N600-V603 HydrophobicContact CB-CG2 4.06Å; N600-V603 PolarHBondContact O-N 3.49Å; D601-V603 VanDerWaalsContact C-N 3.34Å; V603-L606 PolarHBondContact O-N 2.67Å; V603-L607 HydrophobicContact CG1-CD1 3.95Å; V603-L607 WeakPolarHBondContact O-CG 3.47Å; V603-L607 PolarHBondContact O-N 2.72Å |
| 604 | T | 86.6 | Confident | 85.3 | Confident | 1 Ų | 1 | 37.9 Ų | 37.9 | 1% | 0.006 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -67.1 | -37.8 | 176.8 | 60.4 | 0 | 0 | 0 | 0 | 111.7 | L599 N600 D601 L607 N608 W619 I625 | L599-T604 HydrophobicContact CB-CG2 4.1Å; L599-T604 HydrophobicContact CD2-CG2 3.66Å; L599-T604 HydrophobicContact CG-CG2 4.48Å; N600-T604 PolarHBondContact O-N 3.47Å; N600-T604 VanDerWaalsContact O-N 3.09Å; D601-T604 WeakPolarHBondContact CA-OG1 3.47Å; D601-T604 PolarHBondContact O-OG1 2.97Å; D601-T604 VanDerWaalsContact O-OG1 3.14Å; T604-L607 PolarHBondContact O-N 2.72Å; T604-N608 WeakPolarHBondContact O-CB 3.47Å; T604-N608 PolarHBondContact O-N 2.81Å; T604-W619 HydrophobicContact CG2-CE3 4.23Å; T604-W619 HydrophobicContact CG2-CH2 4.37Å; T604-W619 HydrophobicContact CG2-CZ3 3.66Å; T604-I625 HydrophobicContact CG2-CD1 3.68Å |
| 605 | S | 85.9 | Confident | 85.9 | Confident | 63 Ų | 63 | 35.7 Ų | 35.7 | 44% | 0.441 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -63.9 | -41.5 | 171.1 | -58.1 | 0 | 0 | 0 | 0 | 112.5 | D601 L607 N608 A609 | D601-S605 VanDerWaalsContact O-CB 3.23Å; D601-S605 WeakPolarHBondContact O-CB 2.97Å; D601-S605 PolarHBondContact O-N 3.27Å; D601-S605 PolarHBondContact O-OG 2.71Å; S605-L607 VanDerWaalsContact C-N 3.34Å; S605-L607 PolarHBondContact O-N 2.67Å; S605-N608 PolarHBondContact O-N 2.67Å; S605-A609 PolarHBondContact O-N 2.66Å; S605-A609 VanDerWaalsContact O-N 3.1Å |
| 606 | L | 90.4 | Very high | 86.3 | Confident | 35 Ų | 35 | 36.7 Ų | 36.7 | 18% | 0.183 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.3 | -37 | 176.5 | -179.6 | 63.1 | 0 | 0 | 0 | 112.4 | I387 D391 F392 N602 V603 A609 S610 | I387-L606 HydrophobicContact CB-CD2 4.33Å; I387-L606 HydrophobicContact CB-CG 4.16Å; I387-L606 HydrophobicContact CD1-CD2 4.31Å; I387-L606 HydrophobicContact CG2-CG 4.06Å; D391-L606 HydrophobicContact CB-CD2 4.36Å; F392-L606 HydrophobicContact CB-CD2 4.1Å; N602-L606 VanDerWaalsContact O-CB 3.31Å; N602-L606 WeakPolarHBondContact O-CB 3.46Å; N602-L606 PolarHBondContact O-N 2.69Å; V603-L606 PolarHBondContact O-N 2.67Å; L606-A609 CarbonylContact O-C 3.34Å; L606-A609 PolarHBondContact O-N 3.47Å; L606-S610 PolarHBondContact O-N 3.15Å |
| 607 | L | 92.2 | Very high | 87.1 | Confident | 4 Ų | 4 | 38.1 Ų | 38.1 | 2% | 0.021 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -74.7 | -36 | 177.8 | -73 | 163.6 | 0 | 0 | 0 | 112.9 | M385 I387 L424 V603 T604 S605 A609 S610 V615 W619 | M385-L607 HydrophobicContact CB-CD2 4.31Å; M385-L607 HydrophobicContact CE-CD2 3.73Å; I387-L607 HydrophobicContact CD1-CD2 4.06Å; I387-L607 HydrophobicContact CG2-CD2 4.16Å; L424-L607 HydrophobicContact CD1-CD1 3.55Å; V603-L607 HydrophobicContact CG1-CD1 3.95Å; V603-L607 WeakPolarHBondContact O-CG 3.47Å; V603-L607 PolarHBondContact O-N 2.72Å; T604-L607 PolarHBondContact O-N 2.72Å; S605-L607 VanDerWaalsContact C-N 3.34Å; S605-L607 PolarHBondContact O-N 2.67Å; L607-A609 PolarHBondContact O-N 3.45Å; L607-S610 WeakPolarHBondContact O-CB 3.12Å; L607-S610 PolarHBondContact O-N 2.68Å; L607-S610 VanDerWaalsContact O-N 3.16Å; L607-V615 HydrophobicContact CB-CG1 4.41Å; L607-V615 HydrophobicContact CD2-CG1 3.84Å; L607-W619 HydrophobicContact CB-CB 4.22Å; L607-W619 HydrophobicContact CB-CD2 4.06Å; L607-W619 HydrophobicContact CB-CG 3.72Å; L607-W619 HydrophobicContact CD1-CD2 4.31Å; L607-W619 HydrophobicContact CD1-CZ2 4.04Å |
| 608 | N | 91.1 | Very high | 88 | Confident | 66 Ų | 66 | 37.7 Ų | 37.7 | 35% | 0.353 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.1 | -34.2 | 169.4 | -173.1 | 23.5 | 0 | 0 | 0 | 111.6 | T604 S605 S610 W619 K620 V622 | T604-N608 WeakPolarHBondContact O-CB 3.47Å; T604-N608 PolarHBondContact O-N 2.81Å; S605-N608 PolarHBondContact O-N 2.67Å; N608-S610 VanDerWaalsContact C-N 3.35Å; N608-W619 HydrophobicContact CB-CB 4.29Å; N608-K620 VanDerWaalsContact OD1-CA 3.32Å; N608-K620 WeakPolarHBondContact OD1-CA 3.16Å; N608-V622 HydrophobicContact CB-CG2 3.66Å |
| 609 | A | 90.9 | Very high | 88.9 | Confident | 80 Ų | 80 | 37.2 Ų | 37.2 | 66% | 0.661 | 22% | 0.22 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -92.3 | 22.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | S605 L606 L607 | S605-A609 PolarHBondContact O-N 2.66Å; S605-A609 VanDerWaalsContact O-N 3.1Å; L606-A609 CarbonylContact O-C 3.34Å; L606-A609 PolarHBondContact O-N 3.47Å; L607-A609 PolarHBondContact O-N 3.45Å |
| 610 | S | 93.6 | Very high | 89.3 | Confident | 13 Ų | 13 | 42.2 Ų | 42.2 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | trans | -63.4 | 149.3 | 177.7 | 175.4 | 0 | 0 | 0 | 0 | 112.5 | M385 G386 L606 L607 N608 D612 | M385-S610 PolarHBondContact O-OG 2.77Å; G386-S610 PolarHBondContact O-OG 2.69Å; L606-S610 PolarHBondContact O-N 3.15Å; L607-S610 WeakPolarHBondContact O-CB 3.12Å; L607-S610 PolarHBondContact O-N 2.68Å; L607-S610 VanDerWaalsContact O-N 3.16Å; N608-S610 VanDerWaalsContact C-N 3.35Å; S610-D612 VanDerWaalsContact C-N 3.28Å; S610-D612 PolarHBondContact OG-N 2.77Å | ||
| 611 | S | 93.3 | Very high | 89.2 | Confident | 110 Ų | 110 | 45.7 Ų | 45.7 | 77% | 0.769 | 26% | 0.259 | S | S | * | . | S | Bend | trans | -74 | -16.3 | 169.2 | 69.7 | 0 | 0 | 0 | 0 | 113.6 | G386 | G386-S611 WeakPolarHBondContact CA-OG 3.27Å; G386-S611 PolarHBondContact O-N 2.84Å; G386-S611 PolarHBondContact O-OG 2.58Å |
| 612 | D | 92.1 | Very high | 88.8 | Confident | 29 Ų | 29 | 45.3 Ų | 45.3 | 16% | 0.155 | 26% | 0.258 | C | S | . | . | S | Bend | trans | -88.2 | 114.2 | 171.4 | -167.3 | -45.7 | 0 | 0 | 0 | 109.1 | K348 S610 F614 V615 A616 | K348-D612 IonicContact NZ-OD2 2.67Å; K348-D612 PolarHBondContact NZ-OD2 3.38Å; S610-D612 VanDerWaalsContact C-N 3.28Å; S610-D612 PolarHBondContact OG-N 2.77Å; D612-F614 PolarHBondContact O-N 2.73Å; D612-F614 WeakPolarHBondContact OD1-CB 3.2Å; D612-F614 PolarHBondContact OD1-N 2.85Å; D612-V615 HydrophobicContact CB-CB 4.28Å; D612-V615 HydrophobicContact CB-CG2 3.99Å; D612-V615 WeakPolarHBondContact O-CB 3.46Å; D612-V615 PolarHBondContact O-N 2.95Å; D612-V615 VanDerWaalsContact O-N 3.07Å; D612-A616 PolarHBondContact O-N 3.16Å |
| 613 | K | 92.2 | Very high | 87.5 | Confident | 155 Ų | 155 | 48.1 Ų | 48.1 | 67% | 0.674 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -59.1 | -34.1 | -177.7 | -176.6 | -179.9 | 174.6 | -173.8 | 0 | 112.4 | V615 A616 D617 | K613-V615 VanDerWaalsContact C-N 3.31Å; K613-V615 PolarHBondContact O-N 2.91Å; K613-A616 PolarHBondContact O-N 3.39Å; K613-D617 WeakPolarHBondContact CE-OD2 3.19Å; K613-D617 WeakPolarHBondContact O-CB 2.88Å; K613-D617 PolarHBondContact O-N 3.43Å |
| 614 | F | 94 | Very high | 86.2 | Confident | 19 Ų | 19 | 57.7 Ų | 57.7 | 8% | 0.083 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -65.6 | -38.7 | 178.3 | -177.1 | -108.1 | 0 | 0 | 0 | 111 | S345 I346 V349 L432 W435 D612 D617 L618 | S345-F614 WeakPolarHBondContact O-CE1 3.01Å; I346-F614 HydrophobicContact CB-CZ 4.49Å; I346-F614 HydrophobicContact CG1-CE1 4.26Å; I346-F614 HydrophobicContact CG1-CE2 4.3Å; I346-F614 HydrophobicContact CG1-CZ 3.61Å; V349-F614 HydrophobicContact CB-CE1 4.46Å; V349-F614 HydrophobicContact CG2-CD1 3.87Å; V349-F614 HydrophobicContact CG2-CE1 3.78Å; L432-F614 HydrophobicContact CD1-CE1 3.86Å; L432-F614 HydrophobicContact CD1-CZ 3.71Å; W435-F614 AromaticContact CD2-CE2 3.85Å; W435-F614 HydrophobicContact CD2-CE2 3.85Å; W435-F614 HydrophobicContact CD2-CZ 4.33Å; W435-F614 AromaticContact CE2-CE2 3.7Å; W435-F614 AromaticContact CE3-CE2 3.94Å; W435-F614 HydrophobicContact CE3-CE2 3.94Å; W435-F614 HydrophobicContact CE3-CZ 4.21Å; W435-F614 AromaticContact CH2-CE2 3.88Å; W435-F614 HydrophobicContact CH2-CE2 3.88Å; W435-F614 HydrophobicContact CZ2-CD2 4.32Å; W435-F614 AromaticContact CZ2-CE2 3.73Å; W435-F614 HydrophobicContact CZ2-CE2 3.73Å; W435-F614 AromaticContact CZ3-CE2 3.98Å; W435-F614 HydrophobicContact CZ3-CE2 3.98Å; W435-F614 HydrophobicContact CZ3-CZ 4.44Å; D612-F614 PolarHBondContact O-N 2.73Å; D612-F614 WeakPolarHBondContact OD1-CB 3.2Å; D612-F614 PolarHBondContact OD1-N 2.85Å; F614-D617 PolarHBondContact O-N 3.33Å; F614-L618 HydrophobicContact CD1-CD1 4.02Å; F614-L618 HydrophobicContact CE1-CD1 3.72Å; F614-L618 HydrophobicContact CE1-CG 4.4Å; F614-L618 HydrophobicContact CZ-CD1 4.23Å; F614-L618 VanDerWaalsContact O-CG 3.29Å; F614-L618 WeakPolarHBondContact O-CG 3.35Å; F614-L618 PolarHBondContact O-N 2.93Å |
| 615 | V | 93.8 | Very high | 85.1 | Confident | 1 Ų | 1 | 58.6 Ų | 58.6 | 1% | 0.006 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -66.5 | -44.2 | 174.1 | 178.6 | 0 | 0 | 0 | 0 | 110.7 | V349 M385 L607 D612 K613 D617 L618 W619 | V349-V615 HydrophobicContact CG2-CG2 4.36Å; M385-V615 HydrophobicContact CE-CB 4.47Å; M385-V615 HydrophobicContact CE-CG1 3.68Å; M385-V615 HydrophobicContact CE-CG2 3.91Å; M385-V615 HydrophobicContact SD-CG2 4Å; L607-V615 HydrophobicContact CB-CG1 4.41Å; L607-V615 HydrophobicContact CD2-CG1 3.84Å; D612-V615 HydrophobicContact CB-CB 4.28Å; D612-V615 HydrophobicContact CB-CG2 3.99Å; D612-V615 WeakPolarHBondContact O-CB 3.46Å; D612-V615 PolarHBondContact O-N 2.95Å; D612-V615 VanDerWaalsContact O-N 3.07Å; K613-V615 VanDerWaalsContact C-N 3.31Å; K613-V615 PolarHBondContact O-N 2.91Å; V615-D617 PolarHBondContact O-N 3.27Å; V615-L618 WeakPolarHBondContact O-CB 2.87Å; V615-L618 PolarHBondContact O-N 2.97Å; V615-W619 VanDerWaalsContact O-CD1 3.28Å; V615-W619 PolarHBondContact O-N 2.85Å |
| 616 | A | 91.8 | Very high | 83.8 | Confident | 23 Ų | 23 | 56.6 Ų | 56.6 | 19% | 0.19 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -59.9 | -45.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D612 K613 L618 W619 K620 | D612-A616 PolarHBondContact O-N 3.16Å; K613-A616 PolarHBondContact O-N 3.39Å; A616-L618 VanDerWaalsContact C-N 3.29Å; A616-L618 PolarHBondContact O-N 3.1Å; A616-W619 PolarHBondContact O-N 3.22Å; A616-K620 PolarHBondContact O-N 2.89Å |
| 617 | D | 90.7 | Very high | 82.3 | Confident | 64 Ų | 64 | 54.9 Ų | 54.9 | 34% | 0.342 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -63.9 | -29.6 | 177.1 | -88.2 | -42.4 | 0 | 0 | 0 | 113.2 | K613 F614 V615 K620 | K613-D617 WeakPolarHBondContact CE-OD2 3.19Å; K613-D617 WeakPolarHBondContact O-CB 2.88Å; K613-D617 PolarHBondContact O-N 3.43Å; F614-D617 PolarHBondContact O-N 3.33Å; V615-D617 PolarHBondContact O-N 3.27Å; D617-K620 WeakPolarHBondContact O-CD 2.94Å |
| 618 | L | 91.8 | Very high | 80.7 | Confident | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -72.8 | -31.6 | 170.7 | -72.8 | 175 | 0 | 0 | 0 | 113 | V349 R431 L432 W435 F614 V615 A616 | V349-L618 HydrophobicContact CG1-CD1 4.25Å; V349-L618 HydrophobicContact CG2-CD1 4.08Å; R431-L618 WeakPolarHBondContact CD-O 2.98Å; R431-L618 PolarHBondContact NH1-O 2.89Å; L432-L618 HydrophobicContact CD1-CD1 4.38Å; W435-L618 HydrophobicContact CB-CD2 3.49Å; W435-L618 VanDerWaalsContact CB-CD2 3.49Å; W435-L618 HydrophobicContact CG-CD2 3.81Å; F614-L618 HydrophobicContact CD1-CD1 4.02Å; F614-L618 HydrophobicContact CE1-CD1 3.72Å; F614-L618 HydrophobicContact CE1-CG 4.4Å; F614-L618 HydrophobicContact CZ-CD1 4.23Å; F614-L618 VanDerWaalsContact O-CG 3.29Å; F614-L618 WeakPolarHBondContact O-CG 3.35Å; F614-L618 PolarHBondContact O-N 2.93Å; V615-L618 WeakPolarHBondContact O-CB 2.87Å; V615-L618 PolarHBondContact O-N 2.97Å; A616-L618 VanDerWaalsContact C-N 3.29Å; A616-L618 PolarHBondContact O-N 3.1Å |
| 619 | W | 90.7 | Very high | 78.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -102.7 | -14.6 | -171.7 | -76.5 | 98.3 | 0 | 0 | 0 | 115.7 | L424 A427 L599 T604 L607 N608 V615 A616 D621 V622 I625 | L424-W619 HydrophobicContact CD1-CH2 4.14Å; L424-W619 HydrophobicContact CD1-CZ2 4Å; A427-W619 HydrophobicContact CB-CH2 4.04Å; L599-W619 HydrophobicContact CD2-CH2 3.8Å; L599-W619 HydrophobicContact CD2-CZ3 3.93Å; T604-W619 HydrophobicContact CG2-CE3 4.23Å; T604-W619 HydrophobicContact CG2-CH2 4.37Å; T604-W619 HydrophobicContact CG2-CZ3 3.66Å; L607-W619 HydrophobicContact CB-CB 4.22Å; L607-W619 HydrophobicContact CB-CD2 4.06Å; L607-W619 HydrophobicContact CB-CG 3.72Å; L607-W619 HydrophobicContact CD1-CD2 4.31Å; L607-W619 HydrophobicContact CD1-CZ2 4.04Å; N608-W619 HydrophobicContact CB-CB 4.29Å; V615-W619 VanDerWaalsContact O-CD1 3.28Å; V615-W619 PolarHBondContact O-N 2.85Å; A616-W619 PolarHBondContact O-N 3.22Å; W619-D621 CarbonylContact O-C 3.57Å; W619-D621 PolarHBondContact O-N 3.27Å; W619-V622 WeakPolarHBondContact O-CG2 3.25Å; W619-V622 PolarHBondContact O-N 3.43Å; W619-I625 HydrophobicContact CE3-CD1 4.23Å; W619-I625 HydrophobicContact CZ3-CD1 3.84Å |
| 620 | K | 84.8 | Confident | 77.2 | Confident | 118 Ų | 118 | 52.8 Ų | 52.8 | 51% | 0.513 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -37.5 | -43.5 | 179.8 | 70.5 | -171 | 178.7 | -176.8 | 0 | 115.8 | N608 A616 D617 V622 | N608-K620 VanDerWaalsContact OD1-CA 3.32Å; N608-K620 WeakPolarHBondContact OD1-CA 3.16Å; A616-K620 PolarHBondContact O-N 2.89Å; D617-K620 WeakPolarHBondContact O-CD 2.94Å; K620-V622 PolarHBondContact O-N 3.39Å |
| 621 | D | 76.2 | Confident | 75.2 | Confident | 86 Ų | 86 | 55.1 Ų | 55.1 | 46% | 0.46 | 28% | 0.276 | S | S | . | . | trans | -80.3 | 57.8 | 177.8 | -63.4 | -68.5 | 0 | 0 | 0 | 111.5 | R431 W619 D623 | R431-D621 PolarHBondContact NH2-O 2.83Å; W619-D621 CarbonylContact O-C 3.57Å; W619-D621 PolarHBondContact O-N 3.27Å; D621-D623 VanDerWaalsContact C-N 3.28Å | ||
| 622 | V | 70.8 | Confident | 73 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 17% | 0.17 | 25% | 0.248 | C | C | . | . | trans | -69.9 | -29.3 | 173.1 | -171.8 | 0 | 0 | 0 | 0 | 110.9 | N608 W619 K620 R624 I625 | N608-V622 HydrophobicContact CB-CG2 3.66Å; W619-V622 WeakPolarHBondContact O-CG2 3.25Å; W619-V622 PolarHBondContact O-N 3.43Å; K620-V622 PolarHBondContact O-N 3.39Å; V622-R624 PolarHBondContact O-N 3.12Å; V622-I625 HydrophobicContact CG1-CD1 4.15Å; V622-I625 WeakPolarHBondContact O-CB 3.34Å; V622-I625 WeakPolarHBondContact O-CG1 2.84Å; V622-I625 PolarHBondContact O-N 2.88Å | ||
| 623 | D | 58.2 | Low | 71.1 | Confident | 103 Ų | 103 | 52.9 Ų | 52.9 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.4 | 7 | -169.3 | -126.8 | 55.9 | 0 | 0 | 0 | 116.6 | D621 K646 | D621-D623 VanDerWaalsContact C-N 3.28Å; D623-K646 PolarHBondContact O-NZ 3.39Å; D623-K646 IonicContact OD2-NZ 2.75Å; D623-K646 PolarHBondContact OD2-NZ 3.47Å |
| 624 | R | 59.1 | Low | 68.9 | Low | 204 Ų | 204 | 48.5 Ų | 48.5 | 77% | 0.77 | 24% | 0.238 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -130.9 | 5.9 | 179.8 | -55.5 | -172.5 | -173 | -158.4 | 3 | 113.7 | V622 | V622-R624 PolarHBondContact O-N 3.12Š|
| 625 | I | 64.1 | Low | 66.6 | Low | 20 Ų | 20 | 52.1 Ų | 52.1 | 10% | 0.103 | 26% | 0.262 | C | S | . | . | trans | -84.7 | 138 | 179.7 | -58.8 | 178.9 | 0 | 0 | 0 | 109.7 | L599 T604 W619 V622 Q630 | L599-I625 HydrophobicContact CB-CG2 3.63Å; L599-I625 HydrophobicContact CD2-CD1 4.48Å; L599-I625 HydrophobicContact CD2-CG2 4.32Å; L599-I625 HydrophobicContact CG-CG2 4.45Å; T604-I625 HydrophobicContact CG2-CD1 3.68Å; W619-I625 HydrophobicContact CE3-CD1 4.23Å; W619-I625 HydrophobicContact CZ3-CD1 3.84Å; V622-I625 HydrophobicContact CG1-CD1 4.15Å; V622-I625 WeakPolarHBondContact O-CB 3.34Å; V622-I625 WeakPolarHBondContact O-CG1 2.84Å; V622-I625 PolarHBondContact O-N 2.88Å; I625-Q630 PolarHBondContact O-NE2 2.7Å; I625-Q630 VanDerWaalsContact O-NE2 3.17Å | ||
| 626 | V | 58.3 | Low | 64.1 | Low | 20 Ų | 20 | 59.8 Ų | 59.8 | 12% | 0.121 | 30% | 0.297 | C | S | . | . | trans | -82.6 | 114.9 | 169.3 | -177.8 | 0 | 0 | 0 | 0 | 108.7 | L599 F650 | L599-V626 PolarHBondContact N-O 3.06Å; L599-V626 VanDerWaalsContact N-O 3.09Å; V626-F650 HydrophobicContact CG1-CD1 4.29Å; V626-F650 HydrophobicContact CG1-CE1 4.09Å | ||
| 627 | G | 59.5 | Low | 61.3 | Low | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 31% | 0.312 | C | S | . | . | B | Isolated β-bridge | trans | -92.7 | 154.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | L599 D601 D629 Q630 M631 | L599-G627 WeakPolarHBondContact O-CA 3.12Å; D601-G627 VanDerWaalsContact CG-CA 3.47Å; D601-G627 WeakPolarHBondContact OD1-CA 3.12Å; D601-G627 WeakPolarHBondContact OD2-CA 3.12Å; G627-D629 PolarHBondContact O-N 2.87Å; G627-D629 VanDerWaalsContact O-N 3.16Å; G627-Q630 WeakPolarHBondContact O-CB 3.24Å; G627-Q630 PolarHBondContact O-N 3.11Å; G627-M631 PolarHBondContact O-N 2.69Å |
| 628 | L | 57 | Low | 58.5 | Low | 44 Ų | 44 | 64.2 Ų | 64.2 | 23% | 0.23 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -53.9 | -30 | 165.7 | -95.6 | 89.7 | 0 | 0 | 0 | 112.3 | I401 L599 N600 D601 Q630 M631 A632 | I401-L628 HydrophobicContact CD1-CD2 4.34Å; L599-L628 WeakPolarHBondContact O-CD1 3.43Å; L599-L628 PolarHBondContact O-N 2.98Å; N600-L628 HydrophobicContact CB-CD1 4.45Å; D601-L628 PolarHBondContact OD2-N 2.85Å; L628-Q630 VanDerWaalsContact C-N 3.3Å; L628-Q630 PolarHBondContact O-N 2.63Å; L628-M631 PolarHBondContact O-N 2.67Å; L628-A632 PolarHBondContact O-N 2.76Å; L628-A632 VanDerWaalsContact O-N 3.08Å |
| 629 | D | 53.7 | Low | 55.8 | Low | 26 Ų | 26 | 67.4 Ų | 67.4 | 14% | 0.139 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.9 | -38.1 | 174.1 | -177.7 | 50.8 | 0 | 0 | 0 | 113.5 | I401 K402 D601 G627 K633 | I401-D629 HydrophobicContact CG2-CB 4.23Å; K402-D629 WeakPolarHBondContact CA-OD1 3.45Å; K402-D629 WeakPolarHBondContact CB-OD1 3.01Å; K402-D629 PolarHBondContact N-OD1 3.06Å; D601-D629 PolarHBondContact OD2-N 2.63Å; G627-D629 PolarHBondContact O-N 2.87Å; G627-D629 VanDerWaalsContact O-N 3.16Å; D629-K633 WeakPolarHBondContact O-CD 3.01Å; D629-K633 IonicContact OD1-NZ 3.48Å; D629-K633 PolarHBondContact OD1-NZ 2.63Å; D629-K633 VanDerWaalsContact OD1-NZ 3.17Å; D629-K633 IonicContact OD2-NZ 3.7Å; D629-K633 PolarHBondContact OD2-NZ 2.71Å |
| 630 | Q | 55.4 | Low | 53.2 | Low | 35 Ų | 35 | 73.5 Ų | 73.5 | 16% | 0.164 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -76.7 | -34.5 | -177.8 | -62.1 | 171.1 | 48.2 | 0 | 0 | 110.5 | I625 G627 L628 F650 | I625-Q630 PolarHBondContact O-NE2 2.7Å; I625-Q630 VanDerWaalsContact O-NE2 3.17Å; G627-Q630 WeakPolarHBondContact O-CB 3.24Å; G627-Q630 PolarHBondContact O-N 3.11Å; L628-Q630 VanDerWaalsContact C-N 3.3Å; L628-Q630 PolarHBondContact O-N 2.63Å; Q630-F650 HydrophobicContact CB-CE1 4.3Å; Q630-F650 HydrophobicContact CB-CE2 4.41Å; Q630-F650 HydrophobicContact CB-CZ 3.71Å |
| 631 | M | 51.3 | Low | 50.7 | Low | 62 Ų | 62 | 72.7 Ų | 72.7 | 31% | 0.305 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 169.1 | -82.9 | -167.9 | 170.8 | 0 | 0 | 112.8 | M596 P598 G627 L628 K633 M634 | M596-M631 HydrophobicContact CE-CE 3.42Å; M596-M631 VanDerWaalsContact CE-CE 3.42Å; M596-M631 HydrophobicContact CE-CG 4.31Å; M596-M631 HydrophobicContact SD-CE 3.49Å; M596-M631 WeakPolarHBondContact SD-CE 3.48Å; P598-M631 HydrophobicContact CB-CE 3.87Å; P598-M631 HydrophobicContact CB-SD 4.48Å; P598-M631 HydrophobicContact CG-CE 3.71Å; G627-M631 PolarHBondContact O-N 2.69Å; L628-M631 PolarHBondContact O-N 2.67Å; M631-K633 PolarHBondContact O-N 2.66Å; M631-K633 VanDerWaalsContact O-N 3.15Å; M631-M634 WeakPolarHBondContact O-CB 3.25Å; M631-M634 PolarHBondContact O-N 2.67Å |
| 632 | A | 48.3 | Very low | 48.6 | Very low | 22 Ų | 22 | 69.8 Ų | 69.8 | 18% | 0.182 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -56.3 | -36.4 | -175 | 0 | 0 | 0 | 0 | 0 | 112.3 | I401 V403 L628 M634 T635 | I401-A632 HydrophobicContact CG2-CB 4.07Å; V403-A632 HydrophobicContact CG2-CB 4.22Å; L628-A632 PolarHBondContact O-N 2.76Å; L628-A632 VanDerWaalsContact O-N 3.08Å; A632-M634 VanDerWaalsContact C-N 3.28Å; A632-M634 PolarHBondContact O-N 2.77Å; A632-T635 PolarHBondContact O-N 2.71Å; A632-T635 PolarHBondContact O-OG1 2.71Å |
| 633 | K | 51.2 | Low | 46.7 | Very low | 71 Ų | 71 | 72.7 Ų | 72.7 | 31% | 0.309 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -66.7 | -22.3 | 177.8 | -72.7 | 160.3 | -177.2 | 162.5 | 0 | 114.2 | K402 G404 D629 M631 T635 | K402-K633 WeakPolarHBondContact O-CE 3.38Å; K402-K633 PolarHBondContact O-NZ 3.46Å; G404-K633 VanDerWaalsContact N-CE 3.31Å; D629-K633 WeakPolarHBondContact O-CD 3.01Å; D629-K633 IonicContact OD1-NZ 3.48Å; D629-K633 PolarHBondContact OD1-NZ 2.63Å; D629-K633 VanDerWaalsContact OD1-NZ 3.17Å; D629-K633 IonicContact OD2-NZ 3.7Å; D629-K633 PolarHBondContact OD2-NZ 2.71Å; M631-K633 PolarHBondContact O-N 2.66Å; M631-K633 VanDerWaalsContact O-N 3.15Å; K633-T635 VanDerWaalsContact C-N 3.35Å |
| 634 | M | 45.6 | Very low | 45.4 | Very low | 62 Ų | 62 | 75.4 Ų | 75.4 | 31% | 0.305 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -78.4 | -19.8 | 176.2 | -53.3 | -171.2 | 77.8 | 0 | 0 | 112.7 | W540 P542 M631 A632 F650 | W540-M634 HydrophobicContact CB-CE 4.13Å; W540-M634 WeakPolarHBondContact O-CE 3.03Å; P542-M634 HydrophobicContact CG-CB 4.1Å; P542-M634 WeakPolarHBondContact CG-O 3.45Å; M631-M634 WeakPolarHBondContact O-CB 3.25Å; M631-M634 PolarHBondContact O-N 2.67Å; A632-M634 VanDerWaalsContact C-N 3.28Å; A632-M634 PolarHBondContact O-N 2.77Å; M634-F650 HydrophobicContact SD-CE1 4.21Å; M634-F650 HydrophobicContact SD-CZ 4.38Å |
| 635 | T | 45.8 | Very low | 43.9 | Very low | 95 Ų | 95 | 70.4 Ų | 70.4 | 58% | 0.583 | 41% | 0.406 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -21.5 | -173 | -6.7 | 0 | 0 | 0 | 0 | 115.1 | P542 A632 K633 | P542-T635 HydrophobicContact CB-CG2 4.49Å; A632-T635 PolarHBondContact O-N 2.71Å; A632-T635 PolarHBondContact O-OG1 2.71Å; K633-T635 VanDerWaalsContact C-N 3.35Å |
| 636 | E | 40.8 | Very low | 42.5 | Very low | 162 Ų | 162 | 73.5 Ų | 73.5 | 76% | 0.757 | 42% | 0.419 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -127.8 | -6.1 | -163.7 | -68 | -176.4 | 151.4 | 0 | 0 | 115.6 | ||
| 637 | S | 33.3 | Very low | 41.3 | Very low | 72 Ų | 72 | 79.7 Ų | 79.7 | 50% | 0.503 | 44% | 0.444 | S | S | . | . | trans | -154.2 | 140 | 177.8 | 63.6 | 0 | 0 | 0 | 0 | 114.5 | L639 | S637-L639 PolarHBondContact O-N 3.47Š| ||
| 638 | S | 32.6 | Very low | 40.3 | Very low | 109 Ų | 109 | 81.7 Ų | 81.7 | 76% | 0.762 | 47% | 0.465 | S | S | * | . | S | Bend | trans | -78.8 | 30.7 | 177.1 | 48.1 | 0 | 0 | 0 | 0 | 113.4 | ||
| 639 | L | 35.8 | Very low | 39.5 | Very low | 77 Ų | 77 | 81.9 Ų | 81.9 | 40% | 0.403 | 47% | 0.465 | S | S | . | . | trans | -143.6 | 109 | -163.7 | -99.1 | 167.8 | 0 | 0 | 0 | 114 | S637 S641 K917 | S637-L639 PolarHBondContact O-N 3.47Å; L639-S641 PolarHBondContact O-N 2.94Å; L639-S641 VanDerWaalsContact O-N 3.12Å; L639-K917 HydrophobicContact CD1-CD 4.15Å; L639-K917 HydrophobicContact CD2-CD 3.66Å; L639-K917 HydrophobicContact CG-CD 4.32Å | ||
| 640 | P | 34.9 | Very low | 39.5 | Very low | 128 Ų | 128 | 84.5 Ų | 84.5 | 83% | 0.831 | 48% | 0.475 | S | S | * | . | trans | -78 | 98.3 | 177.9 | 29.9 | -33 | 0 | 0 | 0 | 112.2 | A642 | P640-A642 PolarHBondContact O-N 3.34Š| ||
| 641 | S | 32.9 | Very low | 39.9 | Very low | 100 Ų | 100 | 87.6 Ų | 87.6 | 70% | 0.699 | 49% | 0.486 | S | S | * | . | trans | -74 | 90.2 | -178.1 | -169.7 | 0 | 0 | 0 | 0 | 114.3 | L639 S643 | L639-S641 PolarHBondContact O-N 2.94Å; L639-S641 VanDerWaalsContact O-N 3.12Å; S641-S643 VanDerWaalsContact C-N 3.34Å; S641-S643 PolarHBondContact O-N 3.25Å | ||
| 642 | A | 31.8 | Very low | 41 | Very low | 25 Ų | 25 | 85 Ų | 85 | 21% | 0.207 | 47% | 0.473 | C | S | . | . | trans | 57.7 | -43.8 | 136.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | P640 K644 R910 | P640-A642 PolarHBondContact O-N 3.34Å; A642-K644 PolarHBondContact O-N 2.94Å; A642-R910 HydrophobicContact CB-CB 3.84Å; A642-R910 HydrophobicContact CB-CG 4.28Å; A642-R910 PolarHBondContact O-NH1 2.82Å | ||
| 643 | S | 32.1 | Very low | 42.4 | Very low | 89 Ų | 89 | 85.3 Ų | 85.3 | 62% | 0.622 | 47% | 0.473 | S | S | * | . | S | Bend | trans | -78.3 | 113 | -164 | 76.1 | 0 | 0 | 0 | 0 | 112.8 | S641 | S641-S643 VanDerWaalsContact C-N 3.34Å; S641-S643 PolarHBondContact O-N 3.25Å |
| 644 | K | 30.7 | Very low | 43.8 | Very low | 160 Ų | 160 | 82 Ų | 82 | 70% | 0.696 | 46% | 0.459 | S | S | * | . | trans | 57.2 | 100 | -172.8 | -69.5 | -173.7 | 176.8 | -178.9 | 0 | 114.5 | A642 K646 | A642-K644 PolarHBondContact O-N 2.94Å; K644-K646 PolarHBondContact O-N 2.92Å | ||
| 645 | T | 25.9 | Very low | 45.5 | Very low | 99 Ų | 99 | 81.4 Ų | 81.4 | 61% | 0.607 | 46% | 0.455 | S | S | * | . | trans | -70.8 | 55.7 | 174.9 | 35 | 0 | 0 | 0 | 0 | 114 | K647 | T645-K647 PolarHBondContact O-N 3.46Å; T645-K647 VanDerWaalsContact O-N 3.07Å | ||
| 646 | K | 36.1 | Very low | 47 | Very low | 85 Ų | 85 | 80.3 Ų | 80.3 | 37% | 0.37 | 45% | 0.445 | S | S | . | . | trans | -78.4 | 82 | 170.5 | -76.2 | 177.6 | 170.2 | -179.3 | 0 | 110.4 | D623 K644 G648 M649 | D623-K646 PolarHBondContact O-NZ 3.39Å; D623-K646 IonicContact OD2-NZ 2.75Å; D623-K646 PolarHBondContact OD2-NZ 3.47Å; K644-K646 PolarHBondContact O-N 2.92Å; K646-G648 PolarHBondContact O-N 2.88Å; K646-M649 HydrophobicContact CB-CB 4.18Å; K646-M649 HydrophobicContact CB-CG 4.25Å; K646-M649 HydrophobicContact CB-SD 4.32Å; K646-M649 HydrophobicContact CD-CG 3.85Å; K646-M649 HydrophobicContact CD-SD 3.32Å; K646-M649 WeakPolarHBondContact CD-SD 2.9Å; K646-M649 HydrophobicContact CG-SD 4.49Å; K646-M649 PolarHBondContact O-N 3.29Å; K646-M649 VanDerWaalsContact O-N 3.11Å | ||
| 647 | K | 32.9 | Very low | 48.9 | Very low | 151 Ų | 151 | 73 Ų | 73 | 66% | 0.657 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.7 | 0.6 | 173.7 | -102.3 | -177.4 | 170.3 | -178.4 | 0 | 115.7 | T645 L1629 | T645-K647 PolarHBondContact O-N 3.46Å; T645-K647 VanDerWaalsContact O-N 3.07Å; K647-L1629 VanDerWaalsContact NZ-CD2 3.29Å |
| 648 | G | 37.2 | Very low | 51.4 | Low | 42 Ų | 42 | 72.7 Ų | 72.7 | 43% | 0.433 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -128 | 17.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | K646 R651 | K646-G648 PolarHBondContact O-N 2.88Å; G648-R651 WeakPolarHBondContact O-CD 2.88Å |
| 649 | M | 40.8 | Very low | 53.7 | Low | 47 Ų | 47 | 70.9 Ų | 70.9 | 23% | 0.232 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -82.7 | -37.9 | 177 | -113.6 | -178.6 | 75.5 | 0 | 0 | 113.9 | K646 R651 | K646-M649 HydrophobicContact CB-CB 4.18Å; K646-M649 HydrophobicContact CB-CG 4.25Å; K646-M649 HydrophobicContact CB-SD 4.32Å; K646-M649 HydrophobicContact CD-CG 3.85Å; K646-M649 HydrophobicContact CD-SD 3.32Å; K646-M649 WeakPolarHBondContact CD-SD 2.9Å; K646-M649 HydrophobicContact CG-SD 4.49Å; K646-M649 PolarHBondContact O-N 3.29Å; K646-M649 VanDerWaalsContact O-N 3.11Å; M649-R651 VanDerWaalsContact C-N 3.3Å; M649-R651 PolarHBondContact O-N 3.46Å; M649-R651 VanDerWaalsContact O-N 3.11Å |
| 650 | F | 53.3 | Low | 55.8 | Low | 81 Ų | 81 | 70 Ų | 70 | 36% | 0.355 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -84.7 | 69.2 | 171.6 | -82.3 | -84 | 0 | 0 | 0 | 110.8 | V626 Q630 M634 | V626-F650 HydrophobicContact CG1-CD1 4.29Å; V626-F650 HydrophobicContact CG1-CE1 4.09Å; Q630-F650 HydrophobicContact CB-CE1 4.3Å; Q630-F650 HydrophobicContact CB-CE2 4.41Å; Q630-F650 HydrophobicContact CB-CZ 3.71Å; M634-F650 HydrophobicContact SD-CE1 4.21Å; M634-F650 HydrophobicContact SD-CZ 4.38Å |
| 651 | R | 64 | Low | 58.3 | Low | 100 Ų | 100 | 64 Ų | 64 | 38% | 0.377 | 34% | 0.335 | S | S | . | . | trans | -107.4 | 116.6 | 173.1 | -78.8 | 179.3 | 156.7 | -140.2 | -9.3 | 110.1 | G648 M649 L656 E659 | G648-R651 WeakPolarHBondContact O-CD 2.88Å; M649-R651 VanDerWaalsContact C-N 3.3Å; M649-R651 PolarHBondContact O-N 3.46Å; M649-R651 VanDerWaalsContact O-N 3.11Å; R651-L656 HydrophobicContact CB-CD1 4.5Å; R651-L656 HydrophobicContact CB-CD2 4.05Å; R651-L656 HydrophobicContact CB-CG 4.05Å; R651-E659 IonicContact CZ-OE2 2.75Å; R651-E659 IonicContact NH1-OE1 3.68Å; R651-E659 IonicContact NH1-OE2 3.57Å; R651-E659 PolarHBondContact NH1-OE2 2.91Å; R651-E659 IonicContact NH2-OE2 3.83Å; R651-E659 PolarHBondContact NH2-OE2 3.49Å | ||
| 652 | T | 74.1 | Confident | 61 | Low | 7 Ų | 7 | 60.6 Ų | 60.6 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | trans | -68.7 | 164.9 | 177.2 | 64.8 | 0 | 0 | 0 | 0 | 111.6 | D536 N595 G654 Q655 L656 | D536-T652 HydrophobicContact CB-CG2 4.43Å; D536-T652 VanDerWaalsContact OD1-CB 3.28Å; D536-T652 WeakPolarHBondContact OD1-CB 3.14Å; D536-T652 WeakPolarHBondContact OD1-CG2 3.09Å; D536-T652 PolarHBondContact OD1-OG1 3.27Å; N595-T652 WeakPolarHBondContact O-CA 3.32Å; N595-T652 WeakPolarHBondContact O-CB 3.16Å; N595-T652 WeakPolarHBondContact OD1-CB 3.32Å; T652-G654 PolarHBondContact O-N 2.86Å; T652-Q655 PolarHBondContact O-N 2.82Å; T652-Q655 VanDerWaalsContact OG1-CG 3.31Å; T652-Q655 WeakPolarHBondContact OG1-CG 3.27Å; T652-Q655 PolarHBondContact OG1-N 2.83Å; T652-Q655 VanDerWaalsContact OG1-N 3.12Å; T652-L656 WeakPolarHBondContact O-CG 3.16Å; T652-L656 PolarHBondContact O-N 3.27Å; T652-L656 VanDerWaalsContact O-N 3.07Å | ||
| 653 | V | 78 | Confident | 63.5 | Low | 30 Ų | 30 | 65 Ų | 65 | 18% | 0.182 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -59.1 | -39.7 | 173.2 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | F471 N595 D597 L656 Y657 | F471-V653 HydrophobicContact CE1-CB 4.17Å; F471-V653 HydrophobicContact CE1-CG1 4.02Å; N595-V653 PolarHBondContact O-N 3.12Å; N595-V653 PolarHBondContact OD1-N 2.88Å; D597-V653 HydrophobicContact CB-CG2 4.3Å; V653-L656 PolarHBondContact O-N 2.81Å; V653-Y657 VanDerWaalsContact O-CB 3.3Å; V653-Y657 WeakPolarHBondContact O-CB 3.48Å; V653-Y657 PolarHBondContact O-N 2.69Å |
| 654 | G | 81.3 | Confident | 66.1 | Low | 1 Ų | 1 | 60.8 Ų | 60.8 | 1% | 0.01 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -59.2 | -47.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | N595 T652 Y657 K658 | N595-G654 PolarHBondContact OD1-N 2.86Å; T652-G654 PolarHBondContact O-N 2.86Å; G654-Y657 PolarHBondContact O-N 3.42Å; G654-K658 VanDerWaalsContact O-CB 3.3Å; G654-K658 WeakPolarHBondContact O-CB 3.49Å; G654-K658 PolarHBondContact O-N 2.79Å |
| 655 | Q | 80.6 | Confident | 68.9 | Low | 50 Ų | 50 | 53.9 Ų | 53.9 | 23% | 0.234 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 178.5 | -70 | 170.4 | 10.5 | 0 | 0 | 112.3 | D536 T652 Y657 K658 E659 | D536-Q655 WeakPolarHBondContact OD2-CG 3.44Å; D536-Q655 PolarHBondContact OD2-NE2 3.06Å; T652-Q655 PolarHBondContact O-N 2.82Å; T652-Q655 VanDerWaalsContact OG1-CG 3.31Å; T652-Q655 WeakPolarHBondContact OG1-CG 3.27Å; T652-Q655 PolarHBondContact OG1-N 2.83Å; T652-Q655 VanDerWaalsContact OG1-N 3.12Å; Q655-Y657 VanDerWaalsContact C-N 3.32Å; Q655-Y657 PolarHBondContact O-N 2.87Å; Q655-K658 PolarHBondContact O-N 2.84Å; Q655-E659 PolarHBondContact O-N 2.73Å |
| 656 | L | 78 | Confident | 72 | Confident | 71 Ų | 71 | 52.9 Ų | 52.9 | 37% | 0.372 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -60.8 | -43.9 | 177.2 | -69.8 | 171.2 | 0 | 0 | 0 | 111 | R651 T652 V653 Q660 | R651-L656 HydrophobicContact CB-CD1 4.5Å; R651-L656 HydrophobicContact CB-CD2 4.05Å; R651-L656 HydrophobicContact CB-CG 4.05Å; T652-L656 WeakPolarHBondContact O-CG 3.16Å; T652-L656 PolarHBondContact O-N 3.27Å; T652-L656 VanDerWaalsContact O-N 3.07Å; V653-L656 PolarHBondContact O-N 2.81Å; L656-Q660 WeakPolarHBondContact O-CB 3.39Å; L656-Q660 VanDerWaalsContact O-CG 3.25Å; L656-Q660 WeakPolarHBondContact O-CG 3.46Å; L656-Q660 PolarHBondContact O-N 2.85Å |
| 657 | Y | 80.7 | Confident | 74.4 | Confident | 9 Ų | 9 | 50.9 Ų | 50.9 | 4% | 0.035 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -67.4 | -43.4 | 178.1 | -175.6 | -126.4 | 0 | 0 | 0 | 112.6 | L265 C475 Y478 T479 V653 G654 Q655 E659 Q660 L661 | L265-Y657 HydrophobicContact CB-CD2 3.71Å; L265-Y657 HydrophobicContact CB-CE2 3.39Å; L265-Y657 HydrophobicContact CD2-CD2 4.5Å; L265-Y657 HydrophobicContact CD2-CE1 4.22Å; L265-Y657 HydrophobicContact CD2-CE2 4.01Å; L265-Y657 HydrophobicContact CG-CD2 4.47Å; L265-Y657 HydrophobicContact CG-CE2 4.24Å; C475-Y657 HydrophobicContact CB-CD1 3.9Å; C475-Y657 HydrophobicContact CB-CE1 3.48Å; C475-Y657 VanDerWaalsContact CB-CE1 3.48Å; C475-Y657 WeakPolarHBondContact O-CE1 3.26Å; C475-Y657 PolarHBondContact O-OH 2.64Å; C475-Y657 VanDerWaalsContact O-OH 3.09Å; Y478-Y657 HydrophobicContact CD1-CE1 4.12Å; Y478-Y657 HydrophobicContact CE1-CE1 4.46Å; T479-Y657 VanDerWaalsContact OG1-CZ 3.29Å; T479-Y657 PolarHBondContact OG1-OH 3.34Å; V653-Y657 VanDerWaalsContact O-CB 3.3Å; V653-Y657 WeakPolarHBondContact O-CB 3.48Å; V653-Y657 PolarHBondContact O-N 2.69Å; G654-Y657 PolarHBondContact O-N 3.42Å; Q655-Y657 VanDerWaalsContact C-N 3.32Å; Q655-Y657 PolarHBondContact O-N 2.87Å; Y657-E659 PolarHBondContact O-N 2.98Å; Y657-Q660 PolarHBondContact O-N 2.66Å; Y657-L661 VanDerWaalsContact O-CB 3.32Å; Y657-L661 WeakPolarHBondContact O-CB 3.28Å; Y657-L661 PolarHBondContact O-N 2.64Å |
| 658 | K | 85.1 | Confident | 77.2 | Confident | 65 Ų | 65 | 43.8 Ų | 43.8 | 28% | 0.283 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.3 | -42.7 | 176.6 | -176.7 | 179.7 | 173.1 | -176.6 | 0 | 111.9 | E523 G654 Q655 G662 | E523-K658 HydrophobicContact CB-CD 4.39Å; E523-K658 PolarHBondContact O-NZ 3.32Å; E523-K658 WeakPolarHBondContact OE2-CE 3.19Å; G654-K658 VanDerWaalsContact O-CB 3.3Å; G654-K658 WeakPolarHBondContact O-CB 3.49Å; G654-K658 PolarHBondContact O-N 2.79Å; Q655-K658 PolarHBondContact O-N 2.84Å; K658-G662 PolarHBondContact O-N 3.01Å |
| 659 | E | 81.5 | Confident | 79.7 | Confident | 71 Ų | 71 | 49.3 Ų | 49.3 | 33% | 0.332 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -67.9 | -43.5 | 176.1 | -168.8 | -168.2 | 114.5 | 0 | 0 | 112.1 | R651 Q655 Y657 G662 K663 | R651-E659 IonicContact CZ-OE2 2.75Å; R651-E659 IonicContact NH1-OE1 3.68Å; R651-E659 IonicContact NH1-OE2 3.57Å; R651-E659 PolarHBondContact NH1-OE2 2.91Å; R651-E659 IonicContact NH2-OE2 3.83Å; R651-E659 PolarHBondContact NH2-OE2 3.49Å; Q655-E659 PolarHBondContact O-N 2.73Å; Y657-E659 PolarHBondContact O-N 2.98Å; E659-G662 PolarHBondContact O-N 2.77Å; E659-K663 WeakPolarHBondContact O-CG 3.29Å; E659-K663 PolarHBondContact O-N 3.25Å; E659-K663 VanDerWaalsContact OE1-CE 3.32Å; E659-K663 WeakPolarHBondContact OE1-CE 3.22Å; E659-K663 IonicContact OE1-NZ 2.91Å; E659-K663 PolarHBondContact OE1-NZ 2.84Å |
| 660 | Q | 80.8 | Confident | 82 | Confident | 58 Ų | 58 | 53 Ų | 53 | 27% | 0.271 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -59.4 | -49.3 | 176.2 | -76.9 | 178.5 | -23.7 | 0 | 0 | 111.3 | Y264 L656 Y657 G662 K663 L664 | Y264-Q660 HydrophobicContact CD1-CB 3.9Å; Y264-Q660 HydrophobicContact CE1-CB 4.03Å; Y264-Q660 WeakPolarHBondContact CE1-O 3.09Å; L656-Q660 WeakPolarHBondContact O-CB 3.39Å; L656-Q660 VanDerWaalsContact O-CG 3.25Å; L656-Q660 WeakPolarHBondContact O-CG 3.46Å; L656-Q660 PolarHBondContact O-N 2.85Å; Y657-Q660 PolarHBondContact O-N 2.66Å; Q660-G662 VanDerWaalsContact C-N 3.34Å; Q660-G662 PolarHBondContact O-N 2.65Å; Q660-K663 PolarHBondContact O-N 3.26Å; Q660-L664 PolarHBondContact O-N 3.28Å |
| 661 | L | 86.7 | Confident | 83.8 | Confident | 2 Ų | 2 | 49.6 Ų | 49.6 | 1% | 0.01 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.8 | -41.2 | 176 | -178.9 | 60.7 | 0 | 0 | 0 | 111.6 | Y478 T479 K482 Y657 K663 L664 M665 | Y478-L661 HydrophobicContact CD1-CD2 4.07Å; Y478-L661 HydrophobicContact CE1-CD2 3.49Å; Y478-L661 VanDerWaalsContact CE1-CD2 3.49Å; T479-L661 HydrophobicContact CG2-CD1 3.65Å; T479-L661 HydrophobicContact CG2-CD2 4.43Å; T479-L661 VanDerWaalsContact OG1-CD2 3.31Å; T479-L661 WeakPolarHBondContact OG1-CD2 3.24Å; K482-L661 HydrophobicContact CD-CD2 3.65Å; K482-L661 HydrophobicContact CD-CG 4.25Å; Y657-L661 VanDerWaalsContact O-CB 3.32Å; Y657-L661 WeakPolarHBondContact O-CB 3.28Å; Y657-L661 PolarHBondContact O-N 2.64Å; L661-K663 VanDerWaalsContact C-N 3.27Å; L661-K663 PolarHBondContact O-N 2.76Å; L661-L664 HydrophobicContact CD1-CD2 4.39Å; L661-L664 PolarHBondContact O-N 3.27Å; L661-L664 VanDerWaalsContact O-N 3.16Å; L661-M665 HydrophobicContact CD1-CG 4.01Å; L661-M665 HydrophobicContact CD1-SD 4.14Å; L661-M665 HydrophobicContact CG-CG 4.21Å; L661-M665 VanDerWaalsContact O-CG 3.27Å; L661-M665 WeakPolarHBondContact O-CG 3.44Å; L661-M665 PolarHBondContact O-N 3.43Å |
| 662 | G | 88.5 | Confident | 85 | Confident | 29 Ų | 29 | 47.7 Ų | 47.7 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -57.3 | -37.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | K658 E659 Q660 T666 | K658-G662 PolarHBondContact O-N 3.01Å; E659-G662 PolarHBondContact O-N 2.77Å; Q660-G662 VanDerWaalsContact C-N 3.34Å; Q660-G662 PolarHBondContact O-N 2.65Å; G662-T666 WeakPolarHBondContact O-CB 3.43Å; G662-T666 PolarHBondContact O-N 2.88Å; G662-T666 VanDerWaalsContact O-N 3.13Å; G662-T666 PolarHBondContact O-OG1 2.66Å |
| 663 | K | 84.9 | Confident | 85.9 | Confident | 117 Ų | 117 | 48.8 Ų | 48.8 | 51% | 0.509 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -68.8 | -46.6 | 173 | -69.1 | 172.9 | -171.8 | 170.2 | 0 | 111.8 | E659 Q660 L661 M665 T666 T667 | E659-K663 WeakPolarHBondContact O-CG 3.29Å; E659-K663 PolarHBondContact O-N 3.25Å; E659-K663 VanDerWaalsContact OE1-CE 3.32Å; E659-K663 WeakPolarHBondContact OE1-CE 3.22Å; E659-K663 IonicContact OE1-NZ 2.91Å; E659-K663 PolarHBondContact OE1-NZ 2.84Å; Q660-K663 PolarHBondContact O-N 3.26Å; L661-K663 VanDerWaalsContact C-N 3.27Å; L661-K663 PolarHBondContact O-N 2.76Å; K663-M665 PolarHBondContact O-N 2.96Å; K663-T666 PolarHBondContact O-N 3.22Å; K663-T667 PolarHBondContact O-N 2.68Å; K663-T667 PolarHBondContact O-OG1 2.7Å |
| 664 | L | 87.3 | Confident | 86.5 | Confident | 1 Ų | 1 | 48.9 Ų | 48.9 | 1% | 0.005 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -56.9 | -47.4 | 176.5 | 179.5 | 59.6 | 0 | 0 | 0 | 111.8 | F245 Y264 L458 Q660 L661 T666 T667 L668 | F245-L664 HydrophobicContact CB-CD1 4.01Å; F245-L664 HydrophobicContact CD1-CD1 4.17Å; F245-L664 HydrophobicContact CD2-CD1 4Å; F245-L664 HydrophobicContact CG-CD1 3.81Å; Y264-L664 HydrophobicContact CD1-CD2 4.38Å; Y264-L664 HydrophobicContact CD2-CD2 4.15Å; Y264-L664 HydrophobicContact CE1-CB 3.82Å; Y264-L664 HydrophobicContact CE1-CD2 4.25Å; Y264-L664 HydrophobicContact CE2-CD1 4.13Å; Y264-L664 HydrophobicContact CE2-CD2 3.99Å; Y264-L664 HydrophobicContact CE2-CG 4.45Å; Y264-L664 HydrophobicContact CG-CD2 4.34Å; L458-L664 HydrophobicContact CD1-CD1 4.39Å; L458-L664 HydrophobicContact CD1-CD2 4.05Å; Q660-L664 PolarHBondContact O-N 3.28Å; L661-L664 HydrophobicContact CD1-CD2 4.39Å; L661-L664 PolarHBondContact O-N 3.27Å; L661-L664 VanDerWaalsContact O-N 3.16Å; L664-T666 VanDerWaalsContact C-N 3.32Å; L664-T666 PolarHBondContact O-N 2.92Å; L664-T667 PolarHBondContact O-N 3.03Å; L664-L668 HydrophobicContact CD1-CD1 4.06Å; L664-L668 HydrophobicContact CD1-CG 4.21Å; L664-L668 HydrophobicContact CG-CD1 3.93Å; L664-L668 HydrophobicContact CG-CG 4.5Å; L664-L668 VanDerWaalsContact O-CG 3.3Å; L664-L668 WeakPolarHBondContact O-CG 3.26Å; L664-L668 PolarHBondContact O-N 2.74Å |
| 665 | M | 90.2 | Very high | 87 | Confident | 16 Ų | 16 | 49.2 Ų | 49.2 | 8% | 0.079 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65 | -35.1 | 179.2 | -61.9 | -55.1 | -70.8 | 0 | 0 | 112.3 | K482 L483 L486 L661 K663 L668 R669 | K482-M665 HydrophobicContact CB-CE 4.16Å; K482-M665 HydrophobicContact CB-SD 4.46Å; K482-M665 VanDerWaalsContact O-CE 3.27Å; K482-M665 WeakPolarHBondContact O-CE 3.33Å; L483-M665 HydrophobicContact CD2-CE 4.4Å; L483-M665 HydrophobicContact CD2-SD 3.92Å; L486-M665 HydrophobicContact CB-CE 3.7Å; L486-M665 HydrophobicContact CD2-CE 3.94Å; L486-M665 HydrophobicContact CG-CE 4.3Å; L661-M665 HydrophobicContact CD1-CG 4.01Å; L661-M665 HydrophobicContact CD1-SD 4.14Å; L661-M665 HydrophobicContact CG-CG 4.21Å; L661-M665 VanDerWaalsContact O-CG 3.27Å; L661-M665 WeakPolarHBondContact O-CG 3.44Å; L661-M665 PolarHBondContact O-N 3.43Å; K663-M665 PolarHBondContact O-N 2.96Å; M665-L668 HydrophobicContact SD-CD1 4.34Å; M665-R669 WeakPolarHBondContact O-CB 3.19Å; M665-R669 VanDerWaalsContact O-CG 3.25Å; M665-R669 WeakPolarHBondContact O-CG 3.37Å; M665-R669 PolarHBondContact O-N 2.61Å |
| 666 | T | 89.6 | Confident | 87.6 | Confident | 77 Ų | 77 | 46.9 Ų | 46.9 | 47% | 0.472 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -65.5 | -46.1 | 172.3 | -58 | 0 | 0 | 0 | 0 | 111.3 | G662 K663 L664 L668 R669 N670 | G662-T666 WeakPolarHBondContact O-CB 3.43Å; G662-T666 PolarHBondContact O-N 2.88Å; G662-T666 VanDerWaalsContact O-N 3.13Å; G662-T666 PolarHBondContact O-OG1 2.66Å; K663-T666 PolarHBondContact O-N 3.22Å; L664-T666 VanDerWaalsContact C-N 3.32Å; L664-T666 PolarHBondContact O-N 2.92Å; T666-L668 PolarHBondContact O-N 2.84Å; T666-R669 PolarHBondContact O-N 3.4Å; T666-N670 VanDerWaalsContact O-CG 3.31Å; T666-N670 PolarHBondContact O-N 2.74Å |
| 667 | T | 87.7 | Confident | 88.3 | Confident | 43 Ų | 43 | 43.6 Ų | 43.6 | 26% | 0.264 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -58.9 | -46.2 | 175.8 | -58.6 | 0 | 0 | 0 | 0 | 111.4 | F245 F454 K663 L664 N670 | F245-T667 HydrophobicContact CE1-CG2 3.92Å; F245-T667 HydrophobicContact CZ-CG2 4.05Å; F454-T667 HydrophobicContact CZ-CG2 4.16Å; K663-T667 PolarHBondContact O-N 2.68Å; K663-T667 PolarHBondContact O-OG1 2.7Å; L664-T667 PolarHBondContact O-N 3.03Å; T667-N670 PolarHBondContact O-N 2.74Å |
| 668 | L | 90.3 | Very high | 88.9 | Confident | 2 Ų | 2 | 43.1 Ų | 43.1 | 1% | 0.01 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.1 | -41.4 | 179.7 | -68.6 | 167.5 | 0 | 0 | 0 | 112.4 | L175 F245 L458 L483 L486 L664 M665 T666 N670 T671 | L175-L668 HydrophobicContact CD1-CD2 4.41Å; L175-L668 HydrophobicContact CD2-CD1 4.28Å; L175-L668 HydrophobicContact CD2-CD2 4.24Å; L175-L668 HydrophobicContact CG-CD2 4.35Å; F245-L668 HydrophobicContact CE2-CD2 3.84Å; F245-L668 HydrophobicContact CZ-CD2 4.45Å; L458-L668 HydrophobicContact CD2-CD1 4.04Å; L483-L668 HydrophobicContact CD2-CD1 4.03Å; L486-L668 HydrophobicContact CD2-CB 3.96Å; L486-L668 HydrophobicContact CD2-CD1 4.16Å; L664-L668 HydrophobicContact CD1-CD1 4.06Å; L664-L668 HydrophobicContact CD1-CG 4.21Å; L664-L668 HydrophobicContact CG-CD1 3.93Å; L664-L668 HydrophobicContact CG-CG 4.5Å; L664-L668 VanDerWaalsContact O-CG 3.3Å; L664-L668 WeakPolarHBondContact O-CG 3.26Å; L664-L668 PolarHBondContact O-N 2.74Å; M665-L668 HydrophobicContact SD-CD1 4.34Å; T666-L668 PolarHBondContact O-N 2.84Å; L668-N670 PolarHBondContact O-N 2.93Å; L668-T671 PolarHBondContact O-N 3.49Å; L668-T671 VanDerWaalsContact O-N 3.12Å; L668-T671 VanDerWaalsContact O-O 3.09Å; L668-T671 PolarHBondContact O-OG1 3.29Å |
| 669 | R | 90 | Very high | 89.2 | Confident | 158 Ų | 158 | 40 Ų | 40 | 60% | 0.596 | 21% | 0.207 | S | C | * | . | H | α-helix | trans | -63.5 | -25.4 | 175.7 | -77.2 | 172.3 | 174.5 | -174.8 | -3.8 | 113.7 | L486 M665 T666 T671 | L486-R669 HydrophobicContact CD1-CG 3.88Å; M665-R669 WeakPolarHBondContact O-CB 3.19Å; M665-R669 VanDerWaalsContact O-CG 3.25Å; M665-R669 WeakPolarHBondContact O-CG 3.37Å; M665-R669 PolarHBondContact O-N 2.61Å; T666-R669 PolarHBondContact O-N 3.4Å; R669-T671 VanDerWaalsContact C-N 3.3Å |
| 670 | N | 89.7 | Confident | 89.7 | Confident | 124 Ų | 124 | 36.7 Ų | 36.7 | 66% | 0.663 | 19% | 0.192 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -89.4 | 10 | 176.6 | -65 | -5.6 | 0 | 0 | 0 | 113.1 | T666 T667 L668 | T666-N670 VanDerWaalsContact O-CG 3.31Å; T666-N670 PolarHBondContact O-N 2.74Å; T667-N670 PolarHBondContact O-N 2.74Å; L668-N670 PolarHBondContact O-N 2.93Å |
| 671 | T | 91.4 | Very high | 90.2 | Very high | 10 Ų | 10 | 33.9 Ų | 33.9 | 6% | 0.061 | 18% | 0.179 | C | C | . | . | S | Bend | trans | -125.7 | 154 | 174.2 | 62.8 | 0 | 0 | 0 | 0 | 110.5 | D171 S173 F454 L668 R669 P673 | D171-T671 HydrophobicContact CB-CG2 3.79Å; D171-T671 CarbonylContact O-C 3.42Å; D171-T671 VanDerWaalsContact O-CA 3.24Å; D171-T671 WeakPolarHBondContact O-CA 3.35Å; D171-T671 WeakPolarHBondContact O-CB 3.31Å; S173-T671 VanDerWaalsContact CB-OG1 3.28Å; S173-T671 WeakPolarHBondContact CB-OG1 3.37Å; S173-T671 PolarHBondContact OG-OG1 3.33Å; F454-T671 HydrophobicContact CE1-CG2 4.48Å; F454-T671 HydrophobicContact CE2-CG2 4.02Å; F454-T671 HydrophobicContact CZ-CG2 3.66Å; L668-T671 PolarHBondContact O-N 3.49Å; L668-T671 VanDerWaalsContact O-N 3.12Å; L668-T671 VanDerWaalsContact O-O 3.09Å; L668-T671 PolarHBondContact O-OG1 3.29Å; R669-T671 VanDerWaalsContact C-N 3.3Å; T671-P673 VanDerWaalsContact O-CD 3.3Å; T671-P673 WeakPolarHBondContact O-CD 3.44Å |
| 672 | T | 89.4 | Confident | 90.4 | Very high | 61 Ų | 61 | 33.9 Ų | 33.9 | 37% | 0.374 | 18% | 0.179 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 118.9 | 169.3 | -72.4 | 0 | 0 | 0 | 0 | 110 | D171 S173 N674 | D171-T672 PolarHBondContact O-N 2.78Å; S173-T672 PolarHBondContact N-O 3.45Å; T672-N674 PolarHBondContact O-ND2 3.35Å |
| 673 | P | 91.4 | Very high | 90.3 | Very high | 30 Ų | 30 | 36.9 Ų | 36.9 | 20% | 0.195 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -95.4 | 128.9 | -170.5 | 35.4 | -32.2 | 0 | 0 | 0 | 113.4 | S173 L175 T490 T671 F675 | S173-P673 WeakPolarHBondContact OG-CA 3.34Å; L175-P673 HydrophobicContact CD1-CB 3.68Å; T490-P673 HydrophobicContact CG2-CG 3.82Å; T671-P673 VanDerWaalsContact O-CD 3.3Å; T671-P673 WeakPolarHBondContact O-CD 3.44Å; P673-F675 HydrophobicContact CB-CE2 3.87Å; P673-F675 HydrophobicContact CB-CZ 3.97Å; P673-F675 HydrophobicContact CG-CE2 3.79Å; P673-F675 HydrophobicContact CG-CZ 4.11Å |
| 674 | N | 92.3 | Very high | 90.3 | Very high | 32 Ų | 32 | 36 Ų | 36 | 17% | 0.171 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107 | 110.9 | 177.4 | -64 | -101.6 | 0 | 0 | 0 | 109.2 | I157 Q172 S173 I174 L175 T672 | I157-N674 HydrophobicContact CG2-CB 4.35Å; Q172-N674 PolarHBondContact OE1-ND2 3.13Å; S173-N674 VanDerWaalsContact O-CB 3.3Å; S173-N674 WeakPolarHBondContact O-CB 3.25Å; S173-N674 PolarHBondContact O-N 2.64Å; S173-N674 PolarHBondContact O-ND2 3.14Å; I174-N674 WeakPolarHBondContact CA-O 3.42Å; I174-N674 HydrophobicContact CG1-CB 4.15Å; L175-N674 PolarHBondContact N-O 3.49Å; T672-N674 PolarHBondContact O-ND2 3.35Å |
| 675 | F | 91.9 | Very high | 90.1 | Very high | 8 Ų | 8 | 38.3 Ų | 38.3 | 4% | 0.035 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 133.1 | -171.6 | -66.1 | -84.9 | 0 | 0 | 0 | 113.9 | F121 C122 L175 F487 P673 | F121-F675 HydrophobicContact CB-CB 3.89Å; F121-F675 WeakPolarHBondContact CB-O 3.01Å; C122-F675 PolarHBondContact N-O 3.17Å; L175-F675 HydrophobicContact CB-CD1 4.03Å; L175-F675 HydrophobicContact CB-CE1 4.33Å; L175-F675 HydrophobicContact CD1-CE1 4.5Å; L175-F675 HydrophobicContact CD2-CD1 4.48Å; L175-F675 HydrophobicContact CD2-CE1 3.94Å; F487-F675 HydrophobicContact CB-CD1 4.26Å; F487-F675 HydrophobicContact CB-CE1 3.76Å; F487-F675 HydrophobicContact CB-CZ 3.97Å; F487-F675 HydrophobicContact CD2-CB 4.15Å; F487-F675 AromaticContact CD2-CD1 3.74Å; F487-F675 HydrophobicContact CD2-CD1 3.74Å; F487-F675 AromaticContact CD2-CD2 3.78Å; F487-F675 HydrophobicContact CD2-CD2 3.78Å; F487-F675 AromaticContact CD2-CE1 3.99Å; F487-F675 HydrophobicContact CD2-CE1 3.99Å; F487-F675 HydrophobicContact CD2-CE2 4.03Å; F487-F675 AromaticContact CD2-CG 3.63Å; F487-F675 HydrophobicContact CD2-CG 3.63Å; F487-F675 HydrophobicContact CD2-CZ 4.13Å; F487-F675 HydrophobicContact CE2-CB 4.29Å; F487-F675 HydrophobicContact CE2-CD2 4.36Å; F487-F675 HydrophobicContact CE2-CG 4.22Å; F487-F675 HydrophobicContact CG-CD1 4.49Å; F487-F675 HydrophobicContact CG-CE1 4.39Å; P673-F675 HydrophobicContact CB-CE2 3.87Å; P673-F675 HydrophobicContact CB-CZ 3.97Å; P673-F675 HydrophobicContact CG-CE2 3.79Å; P673-F675 HydrophobicContact CG-CZ 4.11Å |
| 676 | V | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.4 | 105.3 | 174.6 | -174.4 | 0 | 0 | 0 | 0 | 109 | V124 I154 I157 I174 L175 T177 C678 | V124-V676 HydrophobicContact CG2-CG1 3.51Å; I154-V676 HydrophobicContact CD1-CG1 4.27Å; I154-V676 HydrophobicContact CD1-CG2 4.05Å; I157-V676 HydrophobicContact CD1-CG2 3.97Å; I157-V676 HydrophobicContact CG2-CG2 4.4Å; I174-V676 HydrophobicContact CG2-CG2 4.05Å; L175-V676 PolarHBondContact O-N 3.36Å; T177-V676 PolarHBondContact N-O 3.12Å; T177-V676 PolarHBondContact OG1-O 2.86Å; V676-C678 PolarHBondContact O-N 3Å |
| 677 | R | 92.1 | Very high | 89.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.008 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90.6 | 100.5 | -175.2 | -72.9 | -73.9 | 177.7 | -176.2 | 3.3 | 110.6 | F121 C122 V123 V124 T177 Q484 N702 | F121-R677 HydrophobicContact CD2-CG 3.95Å; F121-R677 HydrophobicContact CE2-CG 4.3Å; C122-R677 PolarHBondContact O-N 2.96Å; V123-R677 CarbonylContact C-O 3.58Å; V123-R677 WeakPolarHBondContact CA-O 3.4Å; V123-R677 HydrophobicContact CG2-CB 4.3Å; V124-R677 PolarHBondContact N-O 3.3Å; T177-R677 WeakPolarHBondContact OG1-CD 3.42Å; Q484-R677 VanDerWaalsContact CD-NH2 3.33Å; Q484-R677 VanDerWaalsContact NE2-NH2 3.2Å; R677-N702 WeakPolarHBondContact CD-OD1 3.32Å; R677-N702 PolarHBondContact NH1-OD1 3.31Å |
| 678 | C | 92.9 | Very high | 89.9 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 130.2 | -179 | -55.5 | 0 | 0 | 0 | 0 | 110.9 | V124 T177 G178 A182 K184 N187 V676 | V124-C678 CarbonylContact O-C 3.55Å; V124-C678 WeakPolarHBondContact O-CA 3.46Å; T177-C678 WeakPolarHBondContact O-CA 3.48Å; T177-C678 WeakPolarHBondContact O-CB 3.33Å; T177-C678 PolarHBondContact O-N 3.32Å; G178-C678 WeakPolarHBondContact CA-O 3.24Å; A182-C678 HydrophobicContact CB-CB 3.81Å; A182-C678 WeakPolarHBondContact O-CB 3.33Å; K184-C678 HydrophobicContact CG-CB 4.06Å; N187-C678 PolarHBondContact ND2-SG 2.69Å; V676-C678 PolarHBondContact O-N 3Å |
| 679 | I | 92 | Very high | 90 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.8 | 129.9 | -175.1 | -56.3 | -63.7 | 0 | 0 | 0 | 109.5 | V123 V124 V125 N126 V695 Q698 | V123-I679 HydrophobicContact CG1-CG1 3.79Å; V124-I679 PolarHBondContact O-N 3.21Å; V125-I679 HydrophobicContact CG2-CB 4.34Å; N126-I679 PolarHBondContact N-O 3.35Å; I679-V695 HydrophobicContact CG2-CG1 4.34Å; I679-V695 HydrophobicContact CG2-CG2 4.04Å; I679-Q698 HydrophobicContact CD1-CB 4.02Å |
| 680 | I | 91.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 23% | 0.226 | C | C | . | . | trans | -80.9 | 124.8 | 170.8 | 179.3 | 163.8 | 0 | 0 | 0 | 109.4 | Y128 E179 A182 N682 L694 Q698 | Y128-I680 HydrophobicContact CE2-CG1 4.47Å; Y128-I680 WeakPolarHBondContact OH-CD1 2.96Å; Y128-I680 WeakPolarHBondContact OH-CG1 3.39Å; E179-I680 HydrophobicContact CB-CG2 4.04Å; A182-I680 HydrophobicContact CB-CB 4.37Å; I680-N682 WeakPolarHBondContact CG1-O 3.5Å; I680-L694 HydrophobicContact CG2-CD1 4.5Å; I680-L694 HydrophobicContact CG2-CD2 4.25Å; I680-L694 HydrophobicContact CG2-CG 4.5Å; I680-Q698 VanDerWaalsContact CG2-OE1 3.32Å; I680-Q698 PolarHBondContact O-NE2 2.81Å | ||
| 681 | P | 92.5 | Very high | 90.2 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 21% | 0.21 | C | C | . | . | S | Bend | trans | -79 | -25.8 | -177.4 | 33.1 | -40.4 | 0 | 0 | 0 | 113.8 | Y109 V125 N126 Y128 L690 D691 | Y109-P681 HydrophobicContact CE2-CB 4.2Å; Y109-P681 HydrophobicContact CE2-CG 4.4Å; V125-P681 HydrophobicContact CG1-CB 3.86Å; V125-P681 HydrophobicContact CG1-CG 4.48Å; N126-P681 VanDerWaalsContact O-CG 3.28Å; N126-P681 WeakPolarHBondContact O-CG 3.46Å; Y128-P681 HydrophobicContact CD2-CG 3.94Å; Y128-P681 HydrophobicContact CE2-CG 3.78Å; P681-L690 HydrophobicContact CB-CG 4.5Å; P681-L690 CarbonylContact O-C 3.54Å; P681-L690 WeakPolarHBondContact O-CA 3.36Å; P681-D691 PolarHBondContact O-N 3.33Å |
| 682 | N | 90.4 | Very high | 90.2 | Very high | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.011 | 21% | 0.21 | C | C | . | . | trans | -165.6 | 148 | 179 | 61.6 | 88.4 | 0 | 0 | 0 | 110 | I680 E684 K685 R686 K689 | I680-N682 WeakPolarHBondContact CG1-O 3.5Å; N682-E684 VanDerWaalsContact C-N 3.26Å; N682-E684 PolarHBondContact O-N 2.91Å; N682-E684 WeakPolarHBondContact OD1-CA 3.16Å; N682-E684 WeakPolarHBondContact OD1-CB 3.25Å; N682-E684 PolarHBondContact OD1-N 2.83Å; N682-K685 PolarHBondContact OD1-N 3.13Å; N682-K685 VanDerWaalsContact OD1-N 3.07Å; N682-R686 PolarHBondContact ND2-O 3.27Å; N682-R686 PolarHBondContact OD1-N 2.87Å; N682-K689 HydrophobicContact CB-CG 4.49Å; N682-K689 PolarHBondContact ND2-O 2.92Å | ||
| 683 | H | 85.3 | Confident | 90.3 | Very high | 91 Ų | 91 | 41.8 Ų | 41.8 | 42% | 0.421 | 21% | 0.213 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.2 | -8 | 173 | -67.1 | -23 | 0 | 0 | 0 | 113.9 | E179 K685 | E179-H683 IonicContact OE2-CE1 3.06Å; H683-K685 PolarHBondContact O-N 2.93Å |
| 684 | E | 85.7 | Confident | 90.2 | Very high | 98 Ų | 98 | 41.1 Ų | 41.1 | 46% | 0.458 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -3 | 175.5 | -69.7 | 176.8 | -170.5 | 0 | 0 | 113.7 | N682 R686 K689 | N682-E684 VanDerWaalsContact C-N 3.26Å; N682-E684 PolarHBondContact O-N 2.91Å; N682-E684 WeakPolarHBondContact OD1-CA 3.16Å; N682-E684 WeakPolarHBondContact OD1-CB 3.25Å; N682-E684 PolarHBondContact OD1-N 2.83Å; E684-R686 HydrophobicContact CB-CB 4.43Å; E684-R686 HydrophobicContact CB-CG 4.16Å; E684-R686 PolarHBondContact O-N 2.86Å; E684-K689 IonicContact OE1-NZ 3.16Å; E684-K689 PolarHBondContact OE1-NZ 3.01Å; E684-K689 VanDerWaalsContact OE2-CD 3.32Å; E684-K689 WeakPolarHBondContact OE2-CD 3.41Å; E684-K689 IonicContact OE2-NZ 2.79Å; E684-K689 PolarHBondContact OE2-NZ 3.29Å |
| 685 | K | 83.1 | Confident | 90.1 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 22% | 0.222 | 20% | 0.2 | C | C | . | . | trans | 57.5 | 26.5 | -176.2 | -55.6 | 172.6 | 174.4 | 172.1 | 0 | 113.3 | Y128 T233 V234 K235 D237 N682 H683 | Y128-K685 HydrophobicContact CE1-CB 4.47Å; T233-K685 PolarHBondContact O-NZ 2.69Å; V234-K685 VanDerWaalsContact O-CE 3.25Å; V234-K685 WeakPolarHBondContact O-CE 3.42Å; V234-K685 PolarHBondContact O-NZ 2.8Å; K235-K685 WeakPolarHBondContact O-CE 3.31Å; D237-K685 IonicContact OD1-NZ 2.81Å; D237-K685 PolarHBondContact OD1-NZ 2.84Å; D237-K685 WeakPolarHBondContact OD2-CD 3.29Å; D237-K685 IonicContact OD2-NZ 2.82Å; N682-K685 PolarHBondContact OD1-N 3.13Å; N682-K685 VanDerWaalsContact OD1-N 3.07Å; H683-K685 PolarHBondContact O-N 2.93Å | ||
| 686 | R | 86.3 | Confident | 90 | Very high | 166 Ų | 166 | 39.7 Ų | 39.7 | 63% | 0.626 | 20% | 0.201 | S | C | * | . | trans | -99.9 | 126.6 | -174.2 | -77 | -179.1 | 172.4 | -163.8 | -4.3 | 112.8 | N682 E684 | N682-R686 PolarHBondContact ND2-O 3.27Å; N682-R686 PolarHBondContact OD1-N 2.87Å; E684-R686 HydrophobicContact CB-CB 4.43Å; E684-R686 HydrophobicContact CB-CG 4.16Å; E684-R686 PolarHBondContact O-N 2.86Å | ||
| 687 | S | 89.3 | Confident | 89.6 | Confident | 65 Ų | 65 | 45 Ų | 45 | 46% | 0.455 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64 | 138.9 | 170.1 | 64.2 | 0 | 0 | 0 | 0 | 111.7 | P127 K689 | P127-S687 VanDerWaalsContact O-CA 3.31Å; P127-S687 WeakPolarHBondContact O-CA 3.13Å; P127-S687 WeakPolarHBondContact O-CB 3.29Å; S687-K689 VanDerWaalsContact C-N 3.29Å; S687-K689 PolarHBondContact O-N 3.38Å |
| 688 | G | 88 | Confident | 89.4 | Confident | 53 Ų | 53 | 45 Ų | 45 | 55% | 0.546 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 75.8 | 11.3 | 174 | 0 | 0 | 0 | 0 | 0 | 115.2 | Y109 F110 | Y109-G688 PolarHBondContact OH-N 2.8Å; Y109-G688 VanDerWaalsContact OH-N 3.15Å; F110-G688 WeakPolarHBondContact CE1-O 3.36Å |
| 689 | K | 91.8 | Very high | 89.2 | Confident | 86 Ų | 86 | 45.2 Ų | 45.2 | 37% | 0.374 | 23% | 0.227 | S | C | . | . | trans | -110.9 | 141.3 | 161.5 | 178.7 | 171.5 | 172.4 | 173.4 | 0 | 108.8 | Y109 N682 E684 S687 | Y109-K689 PolarHBondContact OH-O 3.26Å; Y109-K689 VanDerWaalsContact OH-O 3.09Å; N682-K689 HydrophobicContact CB-CG 4.49Å; N682-K689 PolarHBondContact ND2-O 2.92Å; E684-K689 IonicContact OE1-NZ 3.16Å; E684-K689 PolarHBondContact OE1-NZ 3.01Å; E684-K689 VanDerWaalsContact OE2-CD 3.32Å; E684-K689 WeakPolarHBondContact OE2-CD 3.41Å; E684-K689 IonicContact OE2-NZ 2.79Å; E684-K689 PolarHBondContact OE2-NZ 3.29Å; S687-K689 VanDerWaalsContact C-N 3.29Å; S687-K689 PolarHBondContact O-N 3.38Å | ||
| 690 | L | 92.1 | Very high | 88.8 | Confident | 23 Ų | 23 | 51.5 Ų | 51.5 | 12% | 0.12 | 25% | 0.25 | C | S | . | . | trans | -133.2 | 125.2 | 172.7 | -173.9 | 148.9 | 0 | 0 | 0 | 108.3 | Y109 F110 V125 P681 V695 | Y109-L690 HydrophobicContact CD1-CB 4.02Å; Y109-L690 HydrophobicContact CD1-CD1 3.83Å; Y109-L690 HydrophobicContact CE1-CB 3.95Å; Y109-L690 HydrophobicContact CE1-CD1 4.4Å; Y109-L690 HydrophobicContact CG-CD1 4.02Å; F110-L690 HydrophobicContact CZ-CB 4.49Å; V125-L690 HydrophobicContact CG1-CD1 4.43Å; P681-L690 HydrophobicContact CB-CG 4.5Å; P681-L690 CarbonylContact O-C 3.54Å; P681-L690 WeakPolarHBondContact O-CA 3.36Å; L690-V695 HydrophobicContact CD1-CG2 4.37Å; L690-V695 HydrophobicContact CD2-CB 4.43Å; L690-V695 HydrophobicContact CD2-CG2 4.06Å; L690-V695 HydrophobicContact CG-CG2 4.01Å | ||
| 691 | D | 92.7 | Very high | 88.2 | Confident | 64 Ų | 64 | 53 Ų | 53 | 34% | 0.342 | 26% | 0.261 | S | S | . | . | trans | -90 | 119.8 | 174 | -173 | -40 | 0 | 0 | 0 | 108.7 | P681 F693 L694 V695 | P681-D691 PolarHBondContact O-N 3.33Å; D691-F693 PolarHBondContact OD1-N 3.12Å; D691-L694 HydrophobicContact CB-CB 4.05Å; D691-L694 PolarHBondContact OD1-N 3.33Å; D691-V695 WeakPolarHBondContact O-CB 3.48Å; D691-V695 VanDerWaalsContact O-CG2 3.3Å; D691-V695 WeakPolarHBondContact O-CG2 3.39Å; D691-V695 PolarHBondContact O-N 3.16Å | ||
| 692 | A | 91.5 | Very high | 87.7 | Confident | 7 Ų | 7 | 53.3 Ų | 53.3 | 6% | 0.058 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -68.6 | -33.9 | -175.1 | 0 | 0 | 0 | 0 | 0 | 113 | Q43 L102 L696 | Q43-A692 WeakPolarHBondContact O-CB 3.3Å; L102-A692 HydrophobicContact CD2-CB 4.18Å; A692-L696 WeakPolarHBondContact O-CB 3.23Å; A692-L696 VanDerWaalsContact O-CG 3.22Å; A692-L696 WeakPolarHBondContact O-CG 3.39Å; A692-L696 PolarHBondContact O-N 3.42Å |
| 693 | F | 90.7 | Very high | 87.1 | Confident | 100 Ų | 100 | 53.2 Ų | 53.2 | 44% | 0.439 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -77.2 | -47.1 | -176.2 | -67.5 | -78.9 | 0 | 0 | 0 | 111 | S40 E41 D691 V695 L696 E697 | S40-F693 VanDerWaalsContact O-CZ 3.23Å; S40-F693 WeakPolarHBondContact O-CZ 3.42Å; E41-F693 WeakPolarHBondContact O-CE2 3.42Å; D691-F693 PolarHBondContact OD1-N 3.12Å; F693-V695 PolarHBondContact O-N 2.97Å; F693-L696 PolarHBondContact O-N 2.71Å; F693-L696 VanDerWaalsContact O-N 3.15Å; F693-E697 WeakPolarHBondContact O-CB 3.45Å; F693-E697 PolarHBondContact O-N 2.86Å |
| 694 | L | 89.3 | Confident | 87.1 | Confident | 15 Ų | 15 | 48.9 Ų | 48.9 | 8% | 0.079 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -59.2 | -36.5 | 175.2 | 176.1 | 61.6 | 0 | 0 | 0 | 111.9 | I680 D691 Q698 | I680-L694 HydrophobicContact CG2-CD1 4.5Å; I680-L694 HydrophobicContact CG2-CD2 4.25Å; I680-L694 HydrophobicContact CG2-CG 4.5Å; D691-L694 HydrophobicContact CB-CB 4.05Å; D691-L694 PolarHBondContact OD1-N 3.33Å; L694-Q698 WeakPolarHBondContact O-CG 3.27Å; L694-Q698 PolarHBondContact O-N 3.46Å; L694-Q698 PolarHBondContact O-NE2 2.76Å |
| 695 | V | 91 | Very high | 87 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -73.8 | -40.3 | 175.4 | 171.7 | 0 | 0 | 0 | 0 | 111.7 | L102 I679 L690 D691 F693 L699 | L102-V695 HydrophobicContact CD1-CB 4.12Å; L102-V695 HydrophobicContact CD1-CG1 3.75Å; I679-V695 HydrophobicContact CG2-CG1 4.34Å; I679-V695 HydrophobicContact CG2-CG2 4.04Å; L690-V695 HydrophobicContact CD1-CG2 4.37Å; L690-V695 HydrophobicContact CD2-CB 4.43Å; L690-V695 HydrophobicContact CD2-CG2 4.06Å; L690-V695 HydrophobicContact CG-CG2 4.01Å; D691-V695 WeakPolarHBondContact O-CB 3.48Å; D691-V695 VanDerWaalsContact O-CG2 3.3Å; D691-V695 WeakPolarHBondContact O-CG2 3.39Å; D691-V695 PolarHBondContact O-N 3.16Å; F693-V695 PolarHBondContact O-N 2.97Å; V695-L699 HydrophobicContact CG1-CD1 3.77Å; V695-L699 HydrophobicContact CG1-CG 4.27Å; V695-L699 WeakPolarHBondContact O-CB 3.25Å; V695-L699 WeakPolarHBondContact O-CD1 3.04Å; V695-L699 WeakPolarHBondContact O-CG 3.32Å; V695-L699 PolarHBondContact O-N 2.78Å |
| 696 | L | 89.3 | Confident | 87 | Confident | 11 Ų | 11 | 43.8 Ų | 43.8 | 6% | 0.058 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.5 | -45.5 | 174.4 | -79.4 | 168.4 | 0 | 0 | 0 | 112.4 | F45 E98 L102 A692 F693 L699 R700 | F45-L696 HydrophobicContact CD2-CD1 4.02Å; F45-L696 HydrophobicContact CD2-CD2 4.32Å; F45-L696 HydrophobicContact CE2-CD1 3.79Å; F45-L696 HydrophobicContact CE2-CD2 3.88Å; E98-L696 HydrophobicContact CB-CD2 4.04Å; L102-L696 HydrophobicContact CB-CD2 4.13Å; L102-L696 HydrophobicContact CD1-CG 4.33Å; L102-L696 HydrophobicContact CD2-CD1 4Å; L102-L696 HydrophobicContact CD2-CD2 4.12Å; L102-L696 HydrophobicContact CD2-CG 3.94Å; A692-L696 WeakPolarHBondContact O-CB 3.23Å; A692-L696 VanDerWaalsContact O-CG 3.22Å; A692-L696 WeakPolarHBondContact O-CG 3.39Å; A692-L696 PolarHBondContact O-N 3.42Å; F693-L696 PolarHBondContact O-N 2.71Å; F693-L696 VanDerWaalsContact O-N 3.15Å; L696-L699 PolarHBondContact O-N 2.64Å; L696-R700 WeakPolarHBondContact O-CG 3Å; L696-R700 PolarHBondContact O-N 2.66Å |
| 697 | E | 84.3 | Confident | 86.8 | Confident | 110 Ų | 110 | 35.9 Ų | 35.9 | 51% | 0.514 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.9 | -49.8 | 177.9 | -174.1 | 164.6 | -146.5 | 0 | 0 | 110.9 | F693 L699 R700 C701 | F693-E697 WeakPolarHBondContact O-CB 3.45Å; F693-E697 PolarHBondContact O-N 2.86Å; E697-L699 PolarHBondContact O-N 2.84Å; E697-R700 PolarHBondContact O-N 2.74Å; E697-C701 WeakPolarHBondContact O-CB 3.4Å; E697-C701 PolarHBondContact O-N 2.65Å; E697-C701 PolarHBondContact O-SG 3.09Å |
| 698 | Q | 88.6 | Confident | 86.6 | Confident | 3 Ų | 3 | 32.8 Ų | 32.8 | 1% | 0.014 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -57.9 | -43.6 | 173.6 | -77.6 | 171.3 | 88.6 | 0 | 0 | 113.2 | E179 I679 I680 L694 R700 C701 N702 | E179-Q698 WeakPolarHBondContact OE1-CG 3.34Å; I679-Q698 HydrophobicContact CD1-CB 4.02Å; I680-Q698 VanDerWaalsContact CG2-OE1 3.32Å; I680-Q698 PolarHBondContact O-NE2 2.81Å; L694-Q698 WeakPolarHBondContact O-CG 3.27Å; L694-Q698 PolarHBondContact O-N 3.46Å; L694-Q698 PolarHBondContact O-NE2 2.76Å; Q698-R700 VanDerWaalsContact C-N 3.33Å; Q698-R700 PolarHBondContact O-N 3.37Å; Q698-C701 PolarHBondContact O-N 2.66Å; Q698-N702 VanDerWaalsContact O-CB 3.28Å; Q698-N702 WeakPolarHBondContact O-CB 3.33Å; Q698-N702 PolarHBondContact O-N 2.94Å; Q698-N702 PolarHBondContact O-ND2 3.15Å |
| 699 | L | 88.2 | Confident | 86.3 | Confident | 4 Ų | 4 | 33.5 Ų | 33.5 | 2% | 0.021 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.4 | -38.9 | -179 | -73.6 | 167.4 | 0 | 0 | 0 | 112.2 | V101 L105 V695 L696 E697 V704 | V101-L699 HydrophobicContact CG1-CD1 4.05Å; V101-L699 HydrophobicContact CG1-CD2 4.23Å; L105-L699 HydrophobicContact CD1-CD1 3.99Å; L105-L699 HydrophobicContact CD1-CD2 3.76Å; L105-L699 HydrophobicContact CD1-CG 4.46Å; V695-L699 HydrophobicContact CG1-CD1 3.77Å; V695-L699 HydrophobicContact CG1-CG 4.27Å; V695-L699 WeakPolarHBondContact O-CB 3.25Å; V695-L699 WeakPolarHBondContact O-CD1 3.04Å; V695-L699 WeakPolarHBondContact O-CG 3.32Å; V695-L699 PolarHBondContact O-N 2.78Å; L696-L699 PolarHBondContact O-N 2.64Å; E697-L699 PolarHBondContact O-N 2.84Å; L699-V704 HydrophobicContact CD2-CB 3.98Å; L699-V704 HydrophobicContact CD2-CG1 3.88Å; L699-V704 HydrophobicContact CD2-CG2 4.03Å; L699-V704 PolarHBondContact O-N 2.97Å; L699-V704 VanDerWaalsContact O-N 3.12Å |
| 700 | R | 82.7 | Confident | 85.7 | Confident | 132 Ų | 132 | 29.6 Ų | 29.6 | 50% | 0.498 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.2 | -57.3 | 172.3 | -70.2 | 168.6 | 175.3 | 178.1 | -1.7 | 110.9 | E98 L696 E697 Q698 N702 G703 | E98-R700 IonicContact OE1-CZ 3.82Å; E98-R700 IonicContact OE1-NE 3.55Å; E98-R700 PolarHBondContact OE1-NE 2.67Å; E98-R700 IonicContact OE1-NH2 2.65Å; E98-R700 PolarHBondContact OE1-NH2 2.78Å; E98-R700 IonicContact OE2-CZ 2.68Å; E98-R700 IonicContact OE2-NE 3.24Å; E98-R700 IonicContact OE2-NH2 2.67Å; E98-R700 PolarHBondContact OE2-NH2 2.79Å; L696-R700 WeakPolarHBondContact O-CG 3Å; L696-R700 PolarHBondContact O-N 2.66Å; E697-R700 PolarHBondContact O-N 2.74Å; Q698-R700 VanDerWaalsContact C-N 3.33Å; Q698-R700 PolarHBondContact O-N 3.37Å; R700-N702 VanDerWaalsContact C-N 3.29Å; R700-N702 PolarHBondContact O-N 2.75Å; R700-G703 PolarHBondContact O-N 2.92Å |
| 701 | C | 78.9 | Confident | 85 | Confident | 32 Ų | 32 | 28.7 Ų | 28.7 | 22% | 0.216 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -35.9 | -176.5 | -66.1 | 0 | 0 | 0 | 0 | 113 | Y580 E697 Q698 G703 | Y580-C701 HydrophobicContact CD2-CB 4.09Å; Y580-C701 VanDerWaalsContact CD2-O 3.29Å; Y580-C701 WeakPolarHBondContact CD2-O 3.17Å; Y580-C701 HydrophobicContact CE2-CB 4.45Å; Y580-C701 VanDerWaalsContact O-CB 3.29Å; Y580-C701 WeakPolarHBondContact O-CB 3.39Å; Y580-C701 PolarHBondContact O-SG 2.99Å; E697-C701 WeakPolarHBondContact O-CB 3.4Å; E697-C701 PolarHBondContact O-N 2.65Å; E697-C701 PolarHBondContact O-SG 3.09Å; Q698-C701 PolarHBondContact O-N 2.66Å; C701-G703 VanDerWaalsContact C-N 3.27Å; C701-G703 PolarHBondContact O-N 3.15Å |
| 702 | N | 82 | Confident | 84.1 | Confident | 6 Ų | 6 | 28.2 Ų | 28.2 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -76.8 | -7.9 | 177.6 | -77.1 | -101.5 | 0 | 0 | 0 | 113.7 | Q484 F487 R677 Q698 R700 V704 | Q484-N702 PolarHBondContact NE2-O 2.72Å; F487-N702 WeakPolarHBondContact CE1-O 3.42Å; R677-N702 WeakPolarHBondContact CD-OD1 3.32Å; R677-N702 PolarHBondContact NH1-OD1 3.31Å; Q698-N702 VanDerWaalsContact O-CB 3.28Å; Q698-N702 WeakPolarHBondContact O-CB 3.33Å; Q698-N702 PolarHBondContact O-N 2.94Å; Q698-N702 PolarHBondContact O-ND2 3.15Å; R700-N702 VanDerWaalsContact C-N 3.29Å; R700-N702 PolarHBondContact O-N 2.75Å; N702-V704 HydrophobicContact CB-CG2 3.85Å |
| 703 | G | 78.7 | Confident | 83.4 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 1% | 0.01 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 70.1 | 32.3 | -178 | 0 | 0 | 0 | 0 | 0 | 113.9 | R700 C701 G707 | R700-G703 PolarHBondContact O-N 2.92Å; C701-G703 VanDerWaalsContact C-N 3.27Å; C701-G703 PolarHBondContact O-N 3.15Å; G703-G707 PolarHBondContact O-N 2.81Å |
| 704 | V | 85.1 | Confident | 82.9 | Confident | 0 Ų | 0 | 24.9 Ų | 24.9 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -71.5 | -38.4 | -169.9 | 173.4 | 0 | 0 | 0 | 0 | 112.4 | F121 V123 L699 N702 I708 | F121-V704 HydrophobicContact CE2-CG1 4.07Å; F121-V704 HydrophobicContact CE2-CG2 4.27Å; F121-V704 HydrophobicContact CZ-CG1 4.16Å; V123-V704 HydrophobicContact CG2-CG1 4.07Å; L699-V704 HydrophobicContact CD2-CB 3.98Å; L699-V704 HydrophobicContact CD2-CG1 3.88Å; L699-V704 HydrophobicContact CD2-CG2 4.03Å; L699-V704 PolarHBondContact O-N 2.97Å; L699-V704 VanDerWaalsContact O-N 3.12Å; N702-V704 HydrophobicContact CB-CG2 3.85Å; V704-I708 HydrophobicContact CG1-CD1 3.95Å; V704-I708 WeakPolarHBondContact O-CD1 3.44Å; V704-I708 VanDerWaalsContact O-CG1 3.25Å; V704-I708 WeakPolarHBondContact O-CG1 3.5Å; V704-I708 PolarHBondContact O-N 2.96Å |
| 705 | L | 84.4 | Confident | 82.7 | Confident | 15 Ų | 15 | 24.3 Ų | 24.3 | 8% | 0.079 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -67.4 | -42.1 | 179.6 | -79.8 | 146.2 | 0 | 0 | 0 | 111.2 | L96 E98 V101 I708 R709 | L96-L705 HydrophobicContact CD1-CD2 4.18Å; L96-L705 HydrophobicContact CG-CD2 4.28Å; E98-L705 HydrophobicContact CB-CD1 4.43Å; E98-L705 HydrophobicContact CG-CD1 3.82Å; V101-L705 HydrophobicContact CB-CD2 4.44Å; V101-L705 HydrophobicContact CG2-CD2 3.71Å; V101-L705 HydrophobicContact CG2-CG 4.47Å; L705-I708 PolarHBondContact O-N 3.13Å; L705-R709 WeakPolarHBondContact O-CB 3.43Å; L705-R709 PolarHBondContact O-N 3.3Å |
| 706 | E | 82.3 | Confident | 81.9 | Confident | 27 Ų | 27 | 25 Ų | 25 | 13% | 0.126 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -69.6 | -42 | 179.4 | -66.7 | 56.4 | -117 | 0 | 0 | 109.3 | F492 F511 L513 I708 R709 I710 | F492-E706 VanDerWaalsContact CE1-C 3.49Å; F492-E706 HydrophobicContact CE1-CB 3.99Å; F492-E706 WeakPolarHBondContact CE1-O 2.87Å; F492-E706 HydrophobicContact CZ-CB 3.74Å; F511-E706 HydrophobicContact CB-CB 4.41Å; F511-E706 HydrophobicContact CB-CG 4.25Å; F511-E706 HydrophobicContact CD1-CB 4.27Å; F511-E706 HydrophobicContact CD1-CG 4.29Å; F511-E706 HydrophobicContact CG-CB 4.41Å; L513-E706 HydrophobicContact CD1-CB 3.76Å; L513-E706 HydrophobicContact CD1-CG 3.8Å; L513-E706 HydrophobicContact CG-CG 4.48Å; E706-I708 VanDerWaalsContact C-N 3.32Å; E706-I708 PolarHBondContact O-N 3.42Å; E706-R709 CarbonylContact O-C 3.54Å; E706-R709 WeakPolarHBondContact O-CA 3.1Å; E706-R709 VanDerWaalsContact O-CB 3.3Å; E706-R709 WeakPolarHBondContact O-CB 3.44Å; E706-R709 PolarHBondContact O-N 3.47Å; E706-R709 IonicContact OE1-CZ 3.57Å; E706-R709 IonicContact OE1-NH2 3.85Å; E706-R709 PolarHBondContact OE1-NH2 3.03Å; E706-I710 PolarHBondContact O-N 3Å |
| 707 | G | 82.5 | Confident | 81.5 | Confident | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.8 | -39.4 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | G703 I710 C711 | G703-G707 PolarHBondContact O-N 2.81Å; G707-I710 WeakPolarHBondContact O-CG2 2.9Å; G707-C711 PolarHBondContact O-N 2.73Å; G707-C711 PolarHBondContact O-SG 3.25Å |
| 708 | I | 84.5 | Confident | 81.6 | Confident | 0 Ų | 0 | 27 Ų | 27 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -73.1 | -35.4 | 172 | -61.4 | 159 | 0 | 0 | 0 | 110.7 | M90 A91 L96 V101 F121 V704 L705 E706 C711 R712 | M90-I708 HydrophobicContact CB-CD1 3.86Å; M90-I708 HydrophobicContact CE-CD1 4.2Å; A91-I708 HydrophobicContact CB-CG2 4.35Å; L96-I708 HydrophobicContact CD1-CB 4.07Å; L96-I708 HydrophobicContact CD1-CD1 4.24Å; L96-I708 HydrophobicContact CD1-CG2 3.65Å; L96-I708 HydrophobicContact CD2-CB 4.1Å; L96-I708 HydrophobicContact CD2-CG2 3.82Å; L96-I708 HydrophobicContact CG-CG2 4.41Å; V101-I708 HydrophobicContact CG2-CD1 4.48Å; F121-I708 HydrophobicContact CZ-CG1 4.32Å; V704-I708 HydrophobicContact CG1-CD1 3.95Å; V704-I708 WeakPolarHBondContact O-CD1 3.44Å; V704-I708 VanDerWaalsContact O-CG1 3.25Å; V704-I708 WeakPolarHBondContact O-CG1 3.5Å; V704-I708 PolarHBondContact O-N 2.96Å; L705-I708 PolarHBondContact O-N 3.13Å; E706-I708 VanDerWaalsContact C-N 3.32Å; E706-I708 PolarHBondContact O-N 3.42Å; I708-C711 PolarHBondContact O-N 2.74Å; I708-R712 WeakPolarHBondContact O-CB 3.33Å; I708-R712 PolarHBondContact O-N 2.84Å |
| 709 | R | 82.3 | Confident | 81.6 | Confident | 68 Ų | 68 | 27.3 Ų | 27.3 | 26% | 0.257 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -61.7 | -48.8 | 179.6 | -152.1 | -173.6 | -55.9 | -177.6 | 4.5 | 111.5 | L96 F511 L705 E706 R712 Q713 | L96-R709 HydrophobicContact CD2-CB 4.14Å; L96-R709 HydrophobicContact CD2-CG 4.39Å; F511-R709 HydrophobicContact CE1-CB 4.46Å; L705-R709 WeakPolarHBondContact O-CB 3.43Å; L705-R709 PolarHBondContact O-N 3.3Å; E706-R709 CarbonylContact O-C 3.54Å; E706-R709 WeakPolarHBondContact O-CA 3.1Å; E706-R709 VanDerWaalsContact O-CB 3.3Å; E706-R709 WeakPolarHBondContact O-CB 3.44Å; E706-R709 PolarHBondContact O-N 3.47Å; E706-R709 IonicContact OE1-CZ 3.57Å; E706-R709 IonicContact OE1-NH2 3.85Å; E706-R709 PolarHBondContact OE1-NH2 3.03Å; R709-R712 PolarHBondContact O-N 2.92Å; R709-R712 VanDerWaalsContact O-N 3.14Å; R709-Q713 HydrophobicContact CG-CG 4.48Å; R709-Q713 WeakPolarHBondContact O-CB 3.03Å; R709-Q713 PolarHBondContact O-N 3.23Å |
| 710 | I | 79.3 | Confident | 81.7 | Confident | 3 Ų | 3 | 30.5 Ų | 30.5 | 2% | 0.015 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -64.7 | -40.8 | 176 | -170.4 | 58.6 | 0 | 0 | 0 | 111.9 | M491 F492 Q496 W506 F511 E706 G707 R712 Q713 G714 | M491-I710 HydrophobicContact CE-CG2 4.17Å; F492-I710 HydrophobicContact CD1-CB 4.07Å; F492-I710 HydrophobicContact CD1-CG2 3.73Å; F492-I710 HydrophobicContact CE1-CB 4.26Å; F492-I710 HydrophobicContact CE1-CG2 3.65Å; Q496-I710 HydrophobicContact CG-CD1 4.21Å; W506-I710 HydrophobicContact CH2-CD1 4.15Å; W506-I710 HydrophobicContact CZ2-CD1 3.85Å; F511-I710 HydrophobicContact CE2-CB 4.2Å; F511-I710 HydrophobicContact CE2-CD1 4.16Å; F511-I710 HydrophobicContact CE2-CG1 4.44Å; F511-I710 HydrophobicContact CZ-CB 4.05Å; F511-I710 HydrophobicContact CZ-CD1 4.12Å; E706-I710 PolarHBondContact O-N 3Å; G707-I710 WeakPolarHBondContact O-CG2 2.9Å; I710-R712 PolarHBondContact O-N 3.35Å; I710-R712 VanDerWaalsContact O-N 3.16Å; I710-Q713 PolarHBondContact O-N 2.91Å; I710-G714 WeakPolarHBondContact O-CA 3.15Å; I710-G714 PolarHBondContact O-N 3.02Å |
| 711 | C | 75.9 | Confident | 82.2 | Confident | 4 Ų | 4 | 24.9 Ų | 24.9 | 3% | 0.027 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -63.4 | -21.3 | 175.3 | -66.8 | 0 | 0 | 0 | 0 | 113.6 | L120 G707 I708 T772 | L120-C711 PolarHBondContact N-SG 2.7Å; L120-C711 VanDerWaalsContact N-SG 3.37Å; G707-C711 PolarHBondContact O-N 2.73Å; G707-C711 PolarHBondContact O-SG 3.25Å; I708-C711 PolarHBondContact O-N 2.74Å; C711-T772 PolarHBondContact O-OG1 3.41Å |
| 712 | R | 74.9 | Confident | 82.6 | Confident | 55 Ų | 55 | 28.6 Ų | 28.6 | 21% | 0.208 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -96.9 | -37.5 | 178.2 | 179.1 | 176.1 | 174.4 | 169.3 | 2.6 | 113.1 | L93 T94 I708 R709 I710 R771 | L93-R712 PolarHBondContact O-NH1 3.36Å; T94-R712 PolarHBondContact O-NH2 2.87Å; I708-R712 WeakPolarHBondContact O-CB 3.33Å; I708-R712 PolarHBondContact O-N 2.84Å; R709-R712 PolarHBondContact O-N 2.92Å; R709-R712 VanDerWaalsContact O-N 3.14Å; I710-R712 PolarHBondContact O-N 3.35Å; I710-R712 VanDerWaalsContact O-N 3.16Å; R712-R771 PolarHBondContact O-NH1 2.87Å |
| 713 | Q | 77 | Confident | 82.9 | Confident | 37 Ų | 37 | 31.7 Ų | 31.7 | 17% | 0.173 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -83.7 | -37.2 | -179 | -75.3 | 179.9 | -47.9 | 0 | 0 | 112.3 | W506 R709 I710 R771 | W506-Q713 HydrophobicContact CH2-CB 4.03Å; W506-Q713 WeakPolarHBondContact CZ3-O 3.5Å; R709-Q713 HydrophobicContact CG-CG 4.48Å; R709-Q713 WeakPolarHBondContact O-CB 3.03Å; R709-Q713 PolarHBondContact O-N 3.23Å; I710-Q713 PolarHBondContact O-N 2.91Å; Q713-R771 VanDerWaalsContact O-CZ 3.24Å; Q713-R771 PolarHBondContact O-NH1 3.44Å; Q713-R771 PolarHBondContact O-NH2 2.94Å |
| 714 | G | 79.4 | Confident | 83.5 | Confident | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.146 | C | C | . | . | S | Bend | trans | -83.6 | -161.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | I710 R771 | I710-G714 WeakPolarHBondContact O-CA 3.15Å; I710-G714 PolarHBondContact O-N 3.02Å; G714-R771 WeakPolarHBondContact O-CD 3.33Å; G714-R771 PolarHBondContact O-NH1 2.82Å |
| 715 | F | 84.5 | Confident | 83.7 | Confident | 2 Ų | 2 | 33.6 Ų | 33.6 | 1% | 0.009 | 15% | 0.153 | C | C | . | . | trans | -130.8 | 73.3 | -174.6 | -62.3 | -97.6 | 0 | 0 | 0 | 110.1 | Y499 I504 N717 N759 R762 F769 F770 R771 | Y499-F715 PolarHBondContact OH-N 3.07Å; I504-F715 HydrophobicContact CD1-CD2 4.32Å; F715-N717 PolarHBondContact O-N 2.94Å; F715-N759 WeakPolarHBondContact CE1-O 3Å; F715-R762 HydrophobicContact CD1-CG 4.48Å; F715-R762 HydrophobicContact CD2-CG 4.2Å; F715-R762 HydrophobicContact CE1-CG 3.89Å; F715-R762 HydrophobicContact CE2-CG 3.57Å; F715-R762 HydrophobicContact CZ-CB 4.44Å; F715-R762 HydrophobicContact CZ-CG 3.4Å; F715-F769 HydrophobicContact CB-CB 3.71Å; F715-F769 HydrophobicContact CB-CD1 4.45Å; F715-F769 HydrophobicContact CG-CB 4.27Å; F715-F770 CarbonylContact C-O 3.59Å; F715-F770 VanDerWaalsContact C-O 3.23Å; F715-F770 WeakPolarHBondContact CA-O 3.21Å; F715-R771 HydrophobicContact CD1-CG 4Å; F715-R771 HydrophobicContact CE1-CG 4.06Å | ||
| 716 | P | 76 | Confident | 83.7 | Confident | 14 Ų | 14 | 40.2 Ų | 40.2 | 9% | 0.091 | 18% | 0.184 | C | C | . | . | trans | -70.8 | -2.5 | -165.6 | 29.5 | -37.8 | 0 | 0 | 0 | 115.2 | L120 T772 | L120-P716 HydrophobicContact CD1-CB 3.95Å; L120-P716 HydrophobicContact CD2-CB 4.08Å; L120-P716 HydrophobicContact CG-CB 4.01Å; P716-T772 WeakPolarHBondContact CG-OG1 3.47Å | ||
| 717 | N | 80.4 | Confident | 84.1 | Confident | 48 Ų | 48 | 41.6 Ų | 41.6 | 26% | 0.257 | 19% | 0.188 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -103 | 123.8 | 172.3 | -70 | -50.8 | 0 | 0 | 0 | 109.1 | F715 F769 F770 R771 L775 | F715-N717 PolarHBondContact O-N 2.94Å; N717-F769 CarbonylContact O-C 3.5Å; N717-F769 WeakPolarHBondContact O-CA 3.44Å; N717-F770 HydrophobicContact CB-CB 3.88Å; N717-F770 PolarHBondContact N-O 3.43Å; N717-F770 PolarHBondContact O-N 2.81Å; N717-R771 PolarHBondContact ND2-O 2.63Å; N717-L775 HydrophobicContact CB-CD1 3.81Å; N717-L775 HydrophobicContact CB-CG 4.23Å |
| 718 | R | 86.9 | Confident | 84.5 | Confident | 116 Ų | 116 | 41.8 Ų | 41.8 | 44% | 0.438 | 19% | 0.189 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -126 | 142.5 | 175.7 | 50 | 173.5 | 157.4 | -95 | -6.4 | 111.4 | E495 I768 F769 | E495-R718 IonicContact OE1-NH1 2.82Å; E495-R718 PolarHBondContact OE1-NH1 2.76Å; E495-R718 IonicContact OE2-CZ 2.86Å; E495-R718 IonicContact OE2-NH1 3.86Å; E495-R718 PolarHBondContact OE2-NH1 2.68Å; E495-R718 IonicContact OE2-NH2 2.59Å; E495-R718 PolarHBondContact OE2-NH2 2.67Å; E495-R718 VanDerWaalsContact OE2-NH2 3.16Å; R718-I768 WeakPolarHBondContact CA-O 2.94Å; R718-F769 HydrophobicContact CB-CD1 4.05Å; R718-F769 HydrophobicContact CB-CE1 3.9Å; R718-F769 HydrophobicContact CB-CZ 4.37Å |
| 719 | I | 88 | Confident | 84.7 | Confident | 10 Ų | 10 | 44.5 Ų | 44.5 | 5% | 0.051 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.3 | 137.3 | 179.8 | -175.6 | 168.1 | 0 | 0 | 0 | 110.6 | E723 F724 Y728 K767 I768 F770 | I719-E723 HydrophobicContact CD1-CB 4.23Å; I719-E723 HydrophobicContact CD1-CG 4.19Å; I719-E723 HydrophobicContact CG1-CB 3.99Å; I719-E723 HydrophobicContact CG1-CG 4.37Å; I719-F724 HydrophobicContact CD1-CB 4.02Å; I719-F724 HydrophobicContact CD1-CD2 4.4Å; I719-F724 HydrophobicContact CG1-CB 4.15Å; I719-F724 HydrophobicContact CG2-CB 4.11Å; I719-F724 HydrophobicContact CG2-CD2 3.96Å; I719-F724 HydrophobicContact CG2-CG 4.46Å; I719-Y728 HydrophobicContact CD1-CE2 4.07Å; I719-K767 CarbonylContact O-C 3.56Å; I719-K767 WeakPolarHBondContact O-CA 3.48Å; I719-I768 HydrophobicContact CG2-CB 4.16Å; I719-I768 PolarHBondContact N-O 2.66Å; I719-I768 PolarHBondContact O-N 2.63Å; I719-F770 HydrophobicContact CG2-CD2 3.99Å; I719-F770 HydrophobicContact CG2-CE2 3.72Å |
| 720 | V | 90.6 | Very high | 85.1 | Confident | 71 Ų | 71 | 45 Ų | 45 | 43% | 0.43 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.6 | 143.6 | 179.4 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | Q722 E723 F724 K767 | V720-Q722 VanDerWaalsContact C-N 3.29Å; V720-Q722 PolarHBondContact O-N 2.77Å; V720-E723 PolarHBondContact O-N 3.5Å; V720-F724 PolarHBondContact O-N 2.7Å; V720-K767 HydrophobicContact CG2-CG 4.1Å |
| 721 | F | 92 | Very high | 85.5 | Confident | 14 Ų | 14 | 46.8 Ų | 46.8 | 6% | 0.061 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -50 | -46.8 | -178.6 | -61.7 | -55.3 | 0 | 0 | 0 | 113.2 | E723 F724 R725 K744 C747 I763 Q765 S766 I768 | F721-E723 VanDerWaalsContact C-N 3.33Å; F721-E723 PolarHBondContact O-N 3.42Å; F721-F724 PolarHBondContact O-N 2.81Å; F721-R725 WeakPolarHBondContact O-CB 3.36Å; F721-R725 PolarHBondContact O-N 3.24Å; F721-K744 HydrophobicContact CD1-CB 4.4Å; F721-K744 HydrophobicContact CD2-CB 3.77Å; F721-K744 HydrophobicContact CD2-CG 4.49Å; F721-K744 HydrophobicContact CE1-CB 4.19Å; F721-K744 HydrophobicContact CE1-CG 4.06Å; F721-K744 HydrophobicContact CE2-CB 3.51Å; F721-K744 HydrophobicContact CE2-CD 3.83Å; F721-K744 HydrophobicContact CE2-CG 3.79Å; F721-K744 HydrophobicContact CG-CB 4.23Å; F721-K744 HydrophobicContact CZ-CB 3.77Å; F721-K744 HydrophobicContact CZ-CD 3.75Å; F721-K744 HydrophobicContact CZ-CG 3.56Å; F721-C747 HydrophobicContact CD1-CB 3.93Å; F721-C747 PolarHBondContact O-SG 2.77Å; F721-I763 HydrophobicContact CE1-CG2 4.03Å; F721-I763 HydrophobicContact CZ-CG2 4Å; F721-Q765 WeakPolarHBondContact CE2-O 3.13Å; F721-S766 VanDerWaalsContact CD2-C 3.48Å; F721-S766 WeakPolarHBondContact CD2-O 3.07Å; F721-S766 VanDerWaalsContact CE2-CA 3.46Å; F721-S766 WeakPolarHBondContact CE2-O 3.39Å; F721-S766 PolarHBondContact N-O 2.69Å; F721-I768 HydrophobicContact CD1-CD1 3.99Å; F721-I768 HydrophobicContact CD1-CG1 3.47Å; F721-I768 VanDerWaalsContact CD1-CG1 3.47Å; F721-I768 HydrophobicContact CE1-CD1 4.41Å; F721-I768 HydrophobicContact CE1-CG1 3.55Å |
| 722 | Q | 87.9 | Confident | 86 | Confident | 109 Ų | 109 | 47 Ų | 47 | 51% | 0.509 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -36.9 | -179.2 | -177.8 | 57.1 | 28.3 | 0 | 0 | 112.9 | V720 Q726 | V720-Q722 VanDerWaalsContact C-N 3.29Å; V720-Q722 PolarHBondContact O-N 2.77Å; Q722-Q726 VanDerWaalsContact O-CB 3.31Å; Q722-Q726 WeakPolarHBondContact O-CB 3.27Å; Q722-Q726 PolarHBondContact O-N 2.95Å |
| 723 | E | 88.2 | Confident | 86.2 | Confident | 71 Ų | 71 | 47.6 Ų | 47.6 | 33% | 0.332 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -71.9 | -47.3 | 175 | -163.9 | -155 | 152.3 | 0 | 0 | 110.7 | I719 V720 F721 R725 Q726 R727 | I719-E723 HydrophobicContact CD1-CB 4.23Å; I719-E723 HydrophobicContact CD1-CG 4.19Å; I719-E723 HydrophobicContact CG1-CB 3.99Å; I719-E723 HydrophobicContact CG1-CG 4.37Å; V720-E723 PolarHBondContact O-N 3.5Å; F721-E723 VanDerWaalsContact C-N 3.33Å; F721-E723 PolarHBondContact O-N 3.42Å; E723-R725 VanDerWaalsContact C-N 3.25Å; E723-R725 PolarHBondContact O-N 3.47Å; E723-Q726 PolarHBondContact O-N 3.44Å; E723-R727 WeakPolarHBondContact O-CB 2.98Å; E723-R727 PolarHBondContact O-N 3.26Å; E723-R727 IonicContact OE1-CZ 3.76Å; E723-R727 IonicContact OE1-NH1 3.38Å; E723-R727 PolarHBondContact OE1-NH1 3.22Å |
| 724 | F | 90.9 | Very high | 86.4 | Confident | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -56 | -43.5 | 177.9 | -177.5 | -91.3 | 0 | 0 | 0 | 111.4 | I719 V720 F721 Y728 C747 M750 I751 L754 I768 F770 L778 | I719-F724 HydrophobicContact CD1-CB 4.02Å; I719-F724 HydrophobicContact CD1-CD2 4.4Å; I719-F724 HydrophobicContact CG1-CB 4.15Å; I719-F724 HydrophobicContact CG2-CB 4.11Å; I719-F724 HydrophobicContact CG2-CD2 3.96Å; I719-F724 HydrophobicContact CG2-CG 4.46Å; V720-F724 PolarHBondContact O-N 2.7Å; F721-F724 PolarHBondContact O-N 2.81Å; F724-Y728 HydrophobicContact CD1-CD2 4.46Å; F724-Y728 AromaticContact CD2-CD2 3.37Å; F724-Y728 HydrophobicContact CD2-CD2 3.37Å; F724-Y728 AromaticContact CD2-CE2 3.6Å; F724-Y728 HydrophobicContact CD2-CE2 3.6Å; F724-Y728 AromaticContact CE2-CD2 3.49Å; F724-Y728 HydrophobicContact CE2-CD2 3.49Å; F724-Y728 VanDerWaalsContact CE2-CD2 3.49Å; F724-Y728 AromaticContact CE2-CE2 3.85Å; F724-Y728 HydrophobicContact CE2-CE2 3.85Å; F724-Y728 HydrophobicContact CE2-CG 4.32Å; F724-Y728 AromaticContact CG-CD2 3.9Å; F724-Y728 HydrophobicContact CG-CD2 3.9Å; F724-Y728 HydrophobicContact CG-CE2 4.42Å; F724-Y728 HydrophobicContact CZ-CD2 4.11Å; F724-Y728 VanDerWaalsContact O-CD2 3.28Å; F724-Y728 WeakPolarHBondContact O-CD2 3.28Å; F724-Y728 PolarHBondContact O-N 3.09Å; F724-C747 HydrophobicContact CD1-CB 4.2Å; F724-M750 HydrophobicContact CD1-CE 4.01Å; F724-M750 HydrophobicContact CE1-CB 4.33Å; F724-M750 HydrophobicContact CE1-CE 3.82Å; F724-I751 HydrophobicContact CE1-CD1 4.13Å; F724-I751 HydrophobicContact CE1-CG1 3.76Å; F724-I751 HydrophobicContact CZ-CD1 4.16Å; F724-I751 HydrophobicContact CZ-CG1 3.79Å; F724-L754 HydrophobicContact CZ-CD1 4.2Å; F724-I768 HydrophobicContact CB-CD1 3.72Å; F724-I768 HydrophobicContact CD1-CD1 3.5Å; F724-I768 VanDerWaalsContact CD1-CD1 3.5Å; F724-I768 HydrophobicContact CD2-CD1 3.93Å; F724-I768 HydrophobicContact CE1-CD1 4.07Å; F724-I768 HydrophobicContact CE2-CD1 4.47Å; F724-I768 HydrophobicContact CG-CD1 3.42Å; F724-I768 VanDerWaalsContact CG-CD1 3.42Å; F724-F770 AromaticContact CD2-CE2 3.8Å; F724-F770 HydrophobicContact CD2-CE2 3.8Å; F724-F770 AromaticContact CD2-CZ 3.94Å; F724-F770 HydrophobicContact CD2-CZ 3.94Å; F724-F770 HydrophobicContact CE2-CE1 4.44Å; F724-F770 AromaticContact CE2-CE2 3.69Å; F724-F770 HydrophobicContact CE2-CE2 3.69Å; F724-F770 AromaticContact CE2-CZ 3.36Å; F724-F770 HydrophobicContact CE2-CZ 3.36Å; F724-F770 AromaticContact CZ-CZ 3.94Å; F724-F770 HydrophobicContact CZ-CZ 3.94Å; F724-L778 HydrophobicContact CE2-CD1 3.89Å; F724-L778 HydrophobicContact CZ-CD1 4.28Å |
| 725 | R | 89.3 | Confident | 86.6 | Confident | 42 Ų | 42 | 55.1 Ų | 55.1 | 16% | 0.158 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.5 | -64.4 | 171.8 | 179.8 | 177.8 | 175.7 | 166 | 8 | 110.8 | F721 E723 R727 Y728 E729 I736 M750 | F721-R725 WeakPolarHBondContact O-CB 3.36Å; F721-R725 PolarHBondContact O-N 3.24Å; E723-R725 VanDerWaalsContact C-N 3.25Å; E723-R725 PolarHBondContact O-N 3.47Å; R725-R727 PolarHBondContact O-N 2.69Å; R725-R727 VanDerWaalsContact O-N 3.08Å; R725-Y728 PolarHBondContact O-N 3.1Å; R725-E729 HydrophobicContact CG-CB 4.46Å; R725-E729 WeakPolarHBondContact CG-OE2 2.76Å; R725-E729 IonicContact CZ-OE1 2.69Å; R725-E729 IonicContact CZ-OE2 2.61Å; R725-E729 IonicContact NE-OE1 2.69Å; R725-E729 IonicContact NE-OE2 2.75Å; R725-E729 PolarHBondContact NE-OE2 2.89Å; R725-E729 IonicContact NH2-OE1 3.14Å; R725-E729 PolarHBondContact NH2-OE1 2.95Å; R725-E729 IonicContact NH2-OE2 2.64Å; R725-E729 WeakPolarHBondContact O-CB 2.92Å; R725-E729 PolarHBondContact O-N 3.16Å; R725-I736 HydrophobicContact CG-CD1 4.15Å; R725-M750 HydrophobicContact CB-SD 4.11Å; R725-M750 HydrophobicContact CG-SD 4.01Å |
| 726 | Q | 85.7 | Confident | 86.5 | Confident | 153 Ų | 153 | 55.7 Ų | 55.7 | 72% | 0.715 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -58.5 | -29.3 | -174.6 | -174.4 | 174 | -2.3 | 0 | 0 | 113.5 | Q722 E723 | Q722-Q726 VanDerWaalsContact O-CB 3.31Å; Q722-Q726 WeakPolarHBondContact O-CB 3.27Å; Q722-Q726 PolarHBondContact O-N 2.95Å; E723-Q726 PolarHBondContact O-N 3.44Å |
| 727 | R | 89.3 | Confident | 86.8 | Confident | 57 Ų | 57 | 58.8 Ų | 58.8 | 22% | 0.215 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -80.5 | -45.6 | -179.4 | -164.2 | 167.1 | -172.6 | 138.6 | 3.2 | 112.3 | Q167 E723 R725 E779 R782 | Q167-R727 VanDerWaalsContact OE1-NH1 3.13Å; E723-R727 WeakPolarHBondContact O-CB 2.98Å; E723-R727 PolarHBondContact O-N 3.26Å; E723-R727 IonicContact OE1-CZ 3.76Å; E723-R727 IonicContact OE1-NH1 3.38Å; E723-R727 PolarHBondContact OE1-NH1 3.22Å; R725-R727 PolarHBondContact O-N 2.69Å; R725-R727 VanDerWaalsContact O-N 3.08Å; R727-E779 IonicContact CZ-OE1 2.62Å; R727-E779 IonicContact CZ-OE2 2.74Å; R727-E779 IonicContact NE-OE1 3.18Å; R727-E779 PolarHBondContact NE-OE1 2.67Å; R727-E779 IonicContact NE-OE2 3.73Å; R727-E779 IonicContact NH2-OE1 3.96Å; R727-E779 IonicContact NH2-OE2 3.25Å; R727-E779 PolarHBondContact NH2-OE2 3.34Å; R727-R782 WeakPolarHBondContact O-CD 2.94Å; R727-R782 PolarHBondContact O-NE 3.41Å |
| 728 | Y | 91.2 | Very high | 86.7 | Confident | 4 Ų | 4 | 67.1 Ų | 67.1 | 2% | 0.016 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -110.4 | -1 | -170.8 | -52.9 | -71.8 | 0 | 0 | 0 | 115.3 | I719 F724 R725 I730 L731 L775 L778 E779 R782 | I719-Y728 HydrophobicContact CD1-CE2 4.07Å; F724-Y728 HydrophobicContact CD1-CD2 4.46Å; F724-Y728 AromaticContact CD2-CD2 3.37Å; F724-Y728 HydrophobicContact CD2-CD2 3.37Å; F724-Y728 AromaticContact CD2-CE2 3.6Å; F724-Y728 HydrophobicContact CD2-CE2 3.6Å; F724-Y728 AromaticContact CE2-CD2 3.49Å; F724-Y728 HydrophobicContact CE2-CD2 3.49Å; F724-Y728 VanDerWaalsContact CE2-CD2 3.49Å; F724-Y728 AromaticContact CE2-CE2 3.85Å; F724-Y728 HydrophobicContact CE2-CE2 3.85Å; F724-Y728 HydrophobicContact CE2-CG 4.32Å; F724-Y728 AromaticContact CG-CD2 3.9Å; F724-Y728 HydrophobicContact CG-CD2 3.9Å; F724-Y728 HydrophobicContact CG-CE2 4.42Å; F724-Y728 HydrophobicContact CZ-CD2 4.11Å; F724-Y728 VanDerWaalsContact O-CD2 3.28Å; F724-Y728 WeakPolarHBondContact O-CD2 3.28Å; F724-Y728 PolarHBondContact O-N 3.09Å; R725-Y728 PolarHBondContact O-N 3.1Å; Y728-I730 PolarHBondContact O-N 2.77Å; Y728-I730 VanDerWaalsContact O-N 3.08Å; Y728-L731 HydrophobicContact CD1-CD1 4.18Å; Y728-L731 WeakPolarHBondContact O-CB 3.08Å; Y728-L731 PolarHBondContact O-N 3.44Å; Y728-L775 HydrophobicContact CE2-CD2 4.45Å; Y728-L778 HydrophobicContact CD1-CB 4.01Å; Y728-L778 HydrophobicContact CE1-CB 3.71Å; Y728-E779 HydrophobicContact CE1-CG 4.14Å; Y728-E779 WeakPolarHBondContact CE1-OE1 3.13Å; Y728-E779 WeakPolarHBondContact OH-CG 3.08Å; Y728-E779 PolarHBondContact OH-OE1 2.67Å; Y728-R782 HydrophobicContact CD1-CB 4.41Å |
| 729 | E | 89.8 | Confident | 86.2 | Confident | 56 Ų | 56 | 63.9 Ų | 63.9 | 26% | 0.262 | 34% | 0.341 | S | S | . | . | G | 310 helix | trans | -58.4 | -23.8 | 177.5 | -178.2 | 164.1 | -168.9 | 0 | 0 | 112.2 | R725 L731 A732 A733 I736 M750 | R725-E729 HydrophobicContact CG-CB 4.46Å; R725-E729 WeakPolarHBondContact CG-OE2 2.76Å; R725-E729 IonicContact CZ-OE1 2.69Å; R725-E729 IonicContact CZ-OE2 2.61Å; R725-E729 IonicContact NE-OE1 2.69Å; R725-E729 IonicContact NE-OE2 2.75Å; R725-E729 PolarHBondContact NE-OE2 2.89Å; R725-E729 IonicContact NH2-OE1 3.14Å; R725-E729 PolarHBondContact NH2-OE1 2.95Å; R725-E729 IonicContact NH2-OE2 2.64Å; R725-E729 WeakPolarHBondContact O-CB 2.92Å; R725-E729 PolarHBondContact O-N 3.16Å; E729-L731 VanDerWaalsContact C-N 3.25Å; E729-L731 PolarHBondContact O-N 3.21Å; E729-A732 CarbonylContact O-C 3.51Å; E729-A732 VanDerWaalsContact O-C 3.31Å; E729-A732 PolarHBondContact O-N 2.84Å; E729-A732 VanDerWaalsContact O-N 3.1Å; E729-A733 VanDerWaalsContact O-CA 3.26Å; E729-A733 WeakPolarHBondContact O-CA 2.89Å; E729-A733 PolarHBondContact O-N 2.93Å; E729-I736 HydrophobicContact CG-CD1 4.17Å; E729-M750 HydrophobicContact CB-CE 4.24Å; E729-M750 HydrophobicContact CB-SD 4.29Å; E729-M750 VanDerWaalsContact N-CE 3.32Å |
| 730 | I | 89.5 | Confident | 85.7 | Confident | 80 Ų | 80 | 73.3 Ų | 73.3 | 41% | 0.41 | 38% | 0.382 | S | S | . | . | G | 310 helix | trans | -60.3 | -28.6 | 170.2 | -166.6 | 173.6 | 0 | 0 | 0 | 114.1 | Y728 R782 K785 I786 | Y728-I730 PolarHBondContact O-N 2.77Å; Y728-I730 VanDerWaalsContact O-N 3.08Å; I730-R782 HydrophobicContact CG2-CG 4.24Å; I730-K785 HydrophobicContact CD1-CB 4.46Å; I730-I786 HydrophobicContact CD1-CD1 4.31Å; I730-I786 HydrophobicContact CD1-CG1 3.59Å |
| 731 | L | 88.7 | Confident | 85.3 | Confident | 39 Ų | 39 | 72.2 Ų | 72.2 | 20% | 0.204 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -77.5 | -27.1 | 176.2 | -57.8 | -177.5 | 0 | 0 | 0 | 112.1 | Y728 E729 L754 L778 E781 R782 K785 | Y728-L731 HydrophobicContact CD1-CD1 4.18Å; Y728-L731 WeakPolarHBondContact O-CB 3.08Å; Y728-L731 PolarHBondContact O-N 3.44Å; E729-L731 VanDerWaalsContact C-N 3.25Å; E729-L731 PolarHBondContact O-N 3.21Å; L731-L754 HydrophobicContact CB-CD2 3.75Å; L731-L754 HydrophobicContact CD1-CD2 4.03Å; L731-L778 HydrophobicContact CD1-CD2 4.23Å; L731-E781 HydrophobicContact CD1-CB 4.41Å; L731-E781 HydrophobicContact CD2-CB 4.19Å; L731-R782 HydrophobicContact CD2-CB 4.38Å; L731-K785 HydrophobicContact CD2-CB 4.5Å; L731-K785 HydrophobicContact CD2-CG 3.83Å |
| 732 | A | 86.1 | Confident | 85 | Confident | 9 Ų | 9 | 75.7 Ų | 75.7 | 7% | 0.074 | 39% | 0.392 | C | S | . | . | S | Bend | trans | -129.1 | 32.8 | -169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | E729 N734 A735 M750 A753 | E729-A732 CarbonylContact O-C 3.51Å; E729-A732 VanDerWaalsContact O-C 3.31Å; E729-A732 PolarHBondContact O-N 2.84Å; E729-A732 VanDerWaalsContact O-N 3.1Å; A732-N734 PolarHBondContact O-N 2.85Å; A732-A735 HydrophobicContact CB-CB 4.17Å; A732-A735 VanDerWaalsContact O-CB 3.24Å; A732-A735 WeakPolarHBondContact O-CB 3.31Å; A732-A735 PolarHBondContact O-N 3.45Å; A732-M750 HydrophobicContact CB-CB 4.31Å; A732-M750 HydrophobicContact CB-CG 4.17Å; A732-A753 HydrophobicContact CB-CB 4.3Å |
| 733 | A | 78.9 | Confident | 85 | Confident | 67 Ų | 67 | 71.3 Ų | 71.3 | 55% | 0.554 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -13.7 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | E729 | E729-A733 VanDerWaalsContact O-CA 3.26Å; E729-A733 WeakPolarHBondContact O-CA 2.89Å; E729-A733 PolarHBondContact O-N 2.93Å |
| 734 | N | 82.1 | Confident | 85.1 | Confident | 169 Ų | 169 | 70.6 Ų | 70.6 | 90% | 0.904 | 37% | 0.372 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.4 | -4.8 | 175.6 | -64 | -19.5 | 0 | 0 | 0 | 113.4 | A732 | A732-N734 PolarHBondContact O-N 2.85Š|
| 735 | A | 83.4 | Confident | 85.1 | Confident | 27 Ų | 27 | 75 Ų | 75 | 22% | 0.223 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | -26.6 | -172.7 | 0 | 0 | 0 | 0 | 0 | 114 | A732 A753 | A732-A735 HydrophobicContact CB-CB 4.17Å; A732-A735 VanDerWaalsContact O-CB 3.24Å; A732-A735 WeakPolarHBondContact O-CB 3.31Å; A732-A735 PolarHBondContact O-N 3.45Å; A735-A753 HydrophobicContact CB-CB 3.55Å |
| 736 | I | 82.3 | Confident | 85.1 | Confident | 13 Ų | 13 | 73 Ų | 73 | 7% | 0.067 | 39% | 0.385 | C | S | . | . | S | Bend | trans | -103.4 | 124.2 | 179.6 | -58.9 | 165.2 | 0 | 0 | 0 | 109.5 | R725 E729 A746 M750 | R725-I736 HydrophobicContact CG-CD1 4.15Å; E729-I736 HydrophobicContact CG-CD1 4.17Å; I736-A746 HydrophobicContact CD1-CB 4Å; I736-A746 HydrophobicContact CG1-CB 4.28Å; I736-M750 HydrophobicContact CD1-CG 3.58Å; I736-M750 HydrophobicContact CD1-SD 3.58Å; I736-M750 VanDerWaalsContact CD1-SD 3.58Å; I736-M750 HydrophobicContact CG1-CG 4.05Å |
| 737 | P | 80.8 | Confident | 85.3 | Confident | 79 Ų | 79 | 65.8 Ų | 65.8 | 51% | 0.513 | 35% | 0.351 | S | S | . | . | trans | -59.5 | 144.7 | 170.1 | -22.9 | 33.9 | 0 | 0 | 0 | 111.7 | G739 M741 | P737-G739 PolarHBondContact O-N 2.81Å; P737-M741 HydrophobicContact CG-CE 4.01Å | ||
| 738 | K | 78.8 | Confident | 85.4 | Confident | 224 Ų | 224 | 66 Ų | 66 | 97% | 0.974 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -65.7 | 3.5 | -175.6 | -63.3 | -174.9 | 178.1 | -179.2 | 0 | 116.1 | ||
| 739 | G | 76.4 | Confident | 85.4 | Confident | 48 Ų | 48 | 68.2 Ų | 68.2 | 50% | 0.495 | 37% | 0.368 | S | S | . | . | S | Bend | trans | -86.3 | -179.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | P737 | P737-G739 PolarHBondContact O-N 2.81Š|
| 740 | F | 77.6 | Confident | 85.5 | Confident | 208 Ų | 208 | 65.6 Ų | 65.6 | 91% | 0.912 | 36% | 0.356 | S | S | * | . | trans | -68.4 | 139.6 | 165.5 | -176.2 | -95.7 | 0 | 0 | 0 | 110 | ||||
| 741 | M | 82.1 | Confident | 85.5 | Confident | 47 Ų | 47 | 61.8 Ų | 61.8 | 23% | 0.232 | 34% | 0.336 | C | S | . | . | trans | -150.7 | 142.8 | 175.2 | -178.8 | 176.9 | -72.5 | 0 | 0 | 107.7 | P737 Q745 A746 L749 | P737-M741 HydrophobicContact CG-CE 4.01Å; M741-Q745 HydrophobicContact CG-CB 4.39Å; M741-Q745 HydrophobicContact SD-CG 4.22Å; M741-A746 HydrophobicContact CG-CB 4.3Å; M741-A746 HydrophobicContact SD-CB 4.13Å; M741-L749 HydrophobicContact CE-CD1 3.93Å; M741-L749 HydrophobicContact SD-CD1 3.69Å | ||
| 742 | D | 86.5 | Confident | 85.6 | Confident | 88 Ų | 88 | 67.6 Ų | 67.6 | 47% | 0.471 | 36% | 0.36 | S | S | . | . | trans | -50.2 | 140.9 | 171.8 | 159.9 | 56.3 | 0 | 0 | 0 | 111.9 | K744 Q745 A746 | D742-K744 PolarHBondContact O-N 2.87Å; D742-K744 PolarHBondContact OD1-N 3.35Å; D742-K744 VanDerWaalsContact OD2-CB 3.32Å; D742-K744 WeakPolarHBondContact OD2-CB 3.5Å; D742-K744 PolarHBondContact OD2-N 3.34Å; D742-Q745 HydrophobicContact CB-CB 4.33Å; D742-Q745 PolarHBondContact O-N 3.1Å; D742-Q745 WeakPolarHBondContact OD2-CB 3.42Å; D742-Q745 PolarHBondContact OD2-N 2.8Å; D742-A746 VanDerWaalsContact O-CB 3.27Å; D742-A746 WeakPolarHBondContact O-CB 2.8Å; D742-A746 PolarHBondContact O-N 2.94Å | ||
| 743 | G | 87.1 | Confident | 85.8 | Confident | 17 Ų | 17 | 70 Ų | 70 | 18% | 0.175 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -62.5 | -42.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A746 C747 | G743-A746 PolarHBondContact O-N 3.5Å; G743-C747 WeakPolarHBondContact O-CB 3.46Å; G743-C747 PolarHBondContact O-N 3.09Å; G743-C747 PolarHBondContact O-SG 3.11Å |
| 744 | K | 90.9 | Very high | 86.2 | Confident | 55 Ų | 55 | 68.7 Ų | 68.7 | 24% | 0.239 | 36% | 0.363 | C | S | . | . | H | α-helix | trans | -63.3 | -48.4 | 179.5 | 177.5 | 166.1 | 168.6 | 160 | 0 | 110.3 | F721 D742 C747 I748 I763 G764 | F721-K744 HydrophobicContact CD1-CB 4.4Å; F721-K744 HydrophobicContact CD2-CB 3.77Å; F721-K744 HydrophobicContact CD2-CG 4.49Å; F721-K744 HydrophobicContact CE1-CB 4.19Å; F721-K744 HydrophobicContact CE1-CG 4.06Å; F721-K744 HydrophobicContact CE2-CB 3.51Å; F721-K744 HydrophobicContact CE2-CD 3.83Å; F721-K744 HydrophobicContact CE2-CG 3.79Å; F721-K744 HydrophobicContact CG-CB 4.23Å; F721-K744 HydrophobicContact CZ-CB 3.77Å; F721-K744 HydrophobicContact CZ-CD 3.75Å; F721-K744 HydrophobicContact CZ-CG 3.56Å; D742-K744 PolarHBondContact O-N 2.87Å; D742-K744 PolarHBondContact OD1-N 3.35Å; D742-K744 VanDerWaalsContact OD2-CB 3.32Å; D742-K744 WeakPolarHBondContact OD2-CB 3.5Å; D742-K744 PolarHBondContact OD2-N 3.34Å; K744-C747 PolarHBondContact O-N 3.16Å; K744-I748 HydrophobicContact CG-CD1 4.14Å; K744-I748 VanDerWaalsContact O-CG1 3.28Å; K744-I748 WeakPolarHBondContact O-CG1 3.43Å; K744-I748 PolarHBondContact O-N 3.11Å; K744-I763 HydrophobicContact CD-CG2 4.28Å; K744-I763 HydrophobicContact CG-CG2 4.05Å; K744-G764 WeakPolarHBondContact CE-O 2.96Å; K744-G764 PolarHBondContact NZ-O 3.28Å |
| 745 | Q | 90 | Very high | 86.4 | Confident | 94 Ų | 94 | 66.8 Ų | 66.8 | 44% | 0.439 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -65.1 | -40.8 | 177.4 | -170 | 64.9 | 1.8 | 0 | 0 | 113 | M741 D742 C747 I748 L749 | M741-Q745 HydrophobicContact CG-CB 4.39Å; M741-Q745 HydrophobicContact SD-CG 4.22Å; D742-Q745 HydrophobicContact CB-CB 4.33Å; D742-Q745 PolarHBondContact O-N 3.1Å; D742-Q745 WeakPolarHBondContact OD2-CB 3.42Å; D742-Q745 PolarHBondContact OD2-N 2.8Å; Q745-C747 PolarHBondContact O-N 2.7Å; Q745-I748 PolarHBondContact O-N 2.91Å; Q745-L749 PolarHBondContact O-N 3.48Å |
| 746 | A | 89.3 | Confident | 86.5 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -61.9 | -42.4 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | I736 M741 D742 G743 L749 M750 | I736-A746 HydrophobicContact CD1-CB 4Å; I736-A746 HydrophobicContact CG1-CB 4.28Å; M741-A746 HydrophobicContact CG-CB 4.3Å; M741-A746 HydrophobicContact SD-CB 4.13Å; D742-A746 VanDerWaalsContact O-CB 3.27Å; D742-A746 WeakPolarHBondContact O-CB 2.8Å; D742-A746 PolarHBondContact O-N 2.94Å; G743-A746 PolarHBondContact O-N 3.5Å; A746-L749 PolarHBondContact O-N 2.83Å; A746-M750 WeakPolarHBondContact O-CG 3.3Å; A746-M750 PolarHBondContact O-N 3.24Å |
| 747 | C | 91.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 67.6 Ų | 67.6 | 0% | 0 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -66.2 | -37.6 | 175.1 | -69.4 | 0 | 0 | 0 | 0 | 113.2 | F721 F724 G743 K744 Q745 L749 M750 I751 I768 | F721-C747 HydrophobicContact CD1-CB 3.93Å; F721-C747 PolarHBondContact O-SG 2.77Å; F724-C747 HydrophobicContact CD1-CB 4.2Å; G743-C747 WeakPolarHBondContact O-CB 3.46Å; G743-C747 PolarHBondContact O-N 3.09Å; G743-C747 PolarHBondContact O-SG 3.11Å; K744-C747 PolarHBondContact O-N 3.16Å; Q745-C747 PolarHBondContact O-N 2.7Å; C747-L749 VanDerWaalsContact C-N 3.33Å; C747-L749 PolarHBondContact O-N 3.08Å; C747-M750 PolarHBondContact O-N 3.02Å; C747-I751 WeakPolarHBondContact O-CB 3.34Å; C747-I751 WeakPolarHBondContact O-CG1 3.43Å; C747-I751 PolarHBondContact O-N 3.35Å; C747-I768 HydrophobicContact CB-CD1 3.73Å |
| 748 | I | 91.2 | Very high | 86.7 | Confident | 61 Ų | 61 | 67.5 Ų | 67.5 | 31% | 0.313 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -61.3 | -42.4 | 173.9 | -69.4 | 163.3 | 0 | 0 | 0 | 110.6 | K744 Q745 I751 K752 I763 | K744-I748 HydrophobicContact CG-CD1 4.14Å; K744-I748 VanDerWaalsContact O-CG1 3.28Å; K744-I748 WeakPolarHBondContact O-CG1 3.43Å; K744-I748 PolarHBondContact O-N 3.11Å; Q745-I748 PolarHBondContact O-N 2.91Å; I748-I751 PolarHBondContact O-N 3.28Å; I748-K752 WeakPolarHBondContact O-CB 3.2Å; I748-K752 PolarHBondContact O-N 2.98Å; I748-I763 HydrophobicContact CD1-CG2 4.34Å; I748-I763 HydrophobicContact CG1-CD1 4.03Å; I748-I763 HydrophobicContact CG1-CG1 4.2Å; I748-I763 HydrophobicContact CG1-CG2 4.48Å |
| 749 | L | 90.9 | Very high | 86.9 | Confident | 52 Ų | 52 | 59.7 Ų | 59.7 | 27% | 0.272 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.8 | -42.4 | 175 | -68.8 | 179.3 | 0 | 0 | 0 | 112.5 | M741 Q745 A746 C747 K752 A753 | M741-L749 HydrophobicContact CE-CD1 3.93Å; M741-L749 HydrophobicContact SD-CD1 3.69Å; Q745-L749 PolarHBondContact O-N 3.48Å; A746-L749 PolarHBondContact O-N 2.83Å; C747-L749 VanDerWaalsContact C-N 3.33Å; C747-L749 PolarHBondContact O-N 3.08Å; L749-K752 PolarHBondContact O-N 3.45Å; L749-A753 WeakPolarHBondContact O-CB 3.31Å; L749-A753 PolarHBondContact O-N 2.76Å |
| 750 | M | 91.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -60.7 | -48.8 | 174 | -72.8 | 173 | 57.5 | 0 | 0 | 112.2 | F724 R725 E729 A732 I736 A746 C747 K752 A753 L754 | F724-M750 HydrophobicContact CD1-CE 4.01Å; F724-M750 HydrophobicContact CE1-CB 4.33Å; F724-M750 HydrophobicContact CE1-CE 3.82Å; R725-M750 HydrophobicContact CB-SD 4.11Å; R725-M750 HydrophobicContact CG-SD 4.01Å; E729-M750 HydrophobicContact CB-CE 4.24Å; E729-M750 HydrophobicContact CB-SD 4.29Å; E729-M750 VanDerWaalsContact N-CE 3.32Å; A732-M750 HydrophobicContact CB-CB 4.31Å; A732-M750 HydrophobicContact CB-CG 4.17Å; I736-M750 HydrophobicContact CD1-CG 3.58Å; I736-M750 HydrophobicContact CD1-SD 3.58Å; I736-M750 VanDerWaalsContact CD1-SD 3.58Å; I736-M750 HydrophobicContact CG1-CG 4.05Å; A746-M750 WeakPolarHBondContact O-CG 3.3Å; A746-M750 PolarHBondContact O-N 3.24Å; C747-M750 PolarHBondContact O-N 3.02Å; M750-K752 VanDerWaalsContact C-N 3.28Å; M750-K752 PolarHBondContact O-N 2.7Å; M750-A753 CarbonylContact O-C 3.48Å; M750-A753 PolarHBondContact O-N 3.14Å; M750-L754 WeakPolarHBondContact O-CB 3.03Å; M750-L754 VanDerWaalsContact O-CG 3.3Å; M750-L754 WeakPolarHBondContact O-CG 3.29Å; M750-L754 PolarHBondContact O-N 2.66Å |
| 751 | I | 91.1 | Very high | 88 | Confident | 1 Ų | 1 | 51.7 Ų | 51.7 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.4 | -37.7 | -179.3 | -76.1 | 175.2 | 0 | 0 | 0 | 111.2 | F724 C747 I748 L754 E755 L756 Y761 I763 I768 F770 | F724-I751 HydrophobicContact CE1-CD1 4.13Å; F724-I751 HydrophobicContact CE1-CG1 3.76Å; F724-I751 HydrophobicContact CZ-CD1 4.16Å; F724-I751 HydrophobicContact CZ-CG1 3.79Å; C747-I751 WeakPolarHBondContact O-CB 3.34Å; C747-I751 WeakPolarHBondContact O-CG1 3.43Å; C747-I751 PolarHBondContact O-N 3.35Å; I748-I751 PolarHBondContact O-N 3.28Å; I751-L754 PolarHBondContact O-N 2.91Å; I751-E755 PolarHBondContact O-N 3.28Å; I751-L756 HydrophobicContact CG1-CD1 4.42Å; I751-L756 HydrophobicContact CG2-CB 4.25Å; I751-L756 HydrophobicContact CG2-CD1 4.43Å; I751-L756 PolarHBondContact O-N 3.03Å; I751-Y761 HydrophobicContact CD1-CD2 4.38Å; I751-Y761 HydrophobicContact CG2-CD1 4.06Å; I751-Y761 HydrophobicContact CG2-CD2 4.4Å; I751-Y761 HydrophobicContact CG2-CE1 3.45Å; I751-Y761 VanDerWaalsContact CG2-CE1 3.45Å; I751-Y761 HydrophobicContact CG2-CE2 3.86Å; I751-I763 HydrophobicContact CD1-CD1 4.06Å; I751-I768 HydrophobicContact CD1-CD1 3.84Å; I751-I768 HydrophobicContact CD1-CG2 3.98Å; I751-F770 HydrophobicContact CD1-CZ 4.13Å |
| 752 | K | 89.9 | Confident | 88.4 | Confident | 161 Ų | 161 | 51.6 Ų | 51.6 | 70% | 0.7 | 27% | 0.267 | S | S | * | . | H | α-helix | trans | -65.4 | -37.7 | 172.5 | -172.6 | 178.9 | 179.5 | -177.6 | 0 | 112.5 | I748 L749 M750 L754 E755 | I748-K752 WeakPolarHBondContact O-CB 3.2Å; I748-K752 PolarHBondContact O-N 2.98Å; L749-K752 PolarHBondContact O-N 3.45Å; M750-K752 VanDerWaalsContact C-N 3.28Å; M750-K752 PolarHBondContact O-N 2.7Å; K752-L754 VanDerWaalsContact C-N 3.35Å; K752-E755 PolarHBondContact O-N 2.6Å |
| 753 | A | 89.2 | Confident | 88.7 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 48% | 0.479 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -77 | -19.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | A732 A735 L749 M750 E755 | A732-A753 HydrophobicContact CB-CB 4.3Å; A735-A753 HydrophobicContact CB-CB 3.55Å; L749-A753 WeakPolarHBondContact O-CB 3.31Å; L749-A753 PolarHBondContact O-N 2.76Å; M750-A753 CarbonylContact O-C 3.48Å; M750-A753 PolarHBondContact O-N 3.14Å; A753-E755 VanDerWaalsContact C-N 3.3Å |
| 754 | L | 88 | Confident | 88.9 | Confident | 41 Ų | 41 | 48.7 Ų | 48.7 | 22% | 0.215 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | -2.4 | 168.8 | -69.4 | 167.2 | 0 | 0 | 0 | 112.8 | F724 L731 M750 I751 K752 L756 L778 | F724-L754 HydrophobicContact CZ-CD1 4.2Å; L731-L754 HydrophobicContact CB-CD2 3.75Å; L731-L754 HydrophobicContact CD1-CD2 4.03Å; M750-L754 WeakPolarHBondContact O-CB 3.03Å; M750-L754 VanDerWaalsContact O-CG 3.3Å; M750-L754 WeakPolarHBondContact O-CG 3.29Å; M750-L754 PolarHBondContact O-N 2.66Å; I751-L754 PolarHBondContact O-N 2.91Å; K752-L754 VanDerWaalsContact C-N 3.35Å; L754-L756 HydrophobicContact CB-CD1 4.32Å; L754-L756 HydrophobicContact CB-CD2 4.5Å; L754-L756 HydrophobicContact CB-CG 3.9Å; L754-L756 HydrophobicContact CD1-CD1 4.42Å; L754-L756 PolarHBondContact O-N 3.25Å; L754-L778 HydrophobicContact CD1-CD2 4.14Å; L754-L778 HydrophobicContact CD2-CD2 4.41Å |
| 755 | E | 86.3 | Confident | 88.9 | Confident | 129 Ų | 129 | 52.2 Ų | 52.2 | 60% | 0.603 | 27% | 0.265 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.2 | 26.9 | -178.8 | -60.6 | -168.7 | -163 | 0 | 0 | 115.2 | I751 K752 A753 D757 F1453 | I751-E755 PolarHBondContact O-N 3.28Å; K752-E755 PolarHBondContact O-N 2.6Å; A753-E755 VanDerWaalsContact C-N 3.3Å; E755-D757 PolarHBondContact O-N 2.72Å; E755-F1453 VanDerWaalsContact OE2-CE2 3.29Å; E755-F1453 WeakPolarHBondContact OE2-CE2 3.45Å |
| 756 | L | 85.7 | Confident | 88.9 | Confident | 23 Ų | 23 | 50 Ų | 50 | 12% | 0.12 | 26% | 0.26 | C | S | . | . | trans | -66.1 | 134.7 | 179.9 | -58.6 | 177.8 | 0 | 0 | 0 | 111.2 | I751 L754 Y761 F770 L778 | I751-L756 HydrophobicContact CG1-CD1 4.42Å; I751-L756 HydrophobicContact CG2-CB 4.25Å; I751-L756 HydrophobicContact CG2-CD1 4.43Å; I751-L756 PolarHBondContact O-N 3.03Å; L754-L756 HydrophobicContact CB-CD1 4.32Å; L754-L756 HydrophobicContact CB-CD2 4.5Å; L754-L756 HydrophobicContact CB-CG 3.9Å; L754-L756 HydrophobicContact CD1-CD1 4.42Å; L754-L756 PolarHBondContact O-N 3.25Å; L756-Y761 HydrophobicContact CB-CD1 4.22Å; L756-Y761 HydrophobicContact CB-CE1 4.09Å; L756-F770 HydrophobicContact CD1-CE1 4.18Å; L756-L778 HydrophobicContact CD1-CD1 4.23Å; L756-L778 HydrophobicContact CD1-CD2 4.5Å | ||
| 757 | D | 81.9 | Confident | 89.1 | Confident | 34 Ų | 34 | 52 Ų | 52 | 18% | 0.182 | 27% | 0.268 | C | S | . | . | trans | -67.9 | 133.9 | 178.5 | -173.5 | -81.2 | 0 | 0 | 0 | 111.4 | E755 N759 L760 Y761 L1446 | E755-D757 PolarHBondContact O-N 2.72Å; D757-N759 PolarHBondContact O-N 3.49Å; D757-N759 WeakPolarHBondContact OD1-CB 3.19Å; D757-N759 PolarHBondContact OD1-N 3.03Å; D757-N759 PolarHBondContact OD1-ND2 2.83Å; D757-L760 HydrophobicContact CB-CD1 4.24Å; D757-L760 HydrophobicContact CB-CG 4.3Å; D757-L760 WeakPolarHBondContact O-CB 3.26Å; D757-L760 PolarHBondContact O-N 3.44Å; D757-Y761 WeakPolarHBondContact O-CD1 3.15Å; D757-Y761 WeakPolarHBondContact O-CE1 3.08Å; D757-L1446 HydrophobicContact CB-CD2 3.68Å; D757-L1446 VanDerWaalsContact OD2-CD2 3.24Å; D757-L1446 WeakPolarHBondContact OD2-CD2 3.25Å | ||
| 758 | P | 86.6 | Confident | 89.1 | Confident | 76 Ų | 76 | 52 Ų | 52 | 49% | 0.494 | 27% | 0.268 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -7 | 180 | -28.3 | 36.4 | 0 | 0 | 0 | 117 | Y761 R762 | P758-Y761 VanDerWaalsContact O-O 3.05Å; P758-R762 PolarHBondContact O-NH1 3.39Å |
| 759 | N | 82.9 | Confident | 89.2 | Confident | 60 Ų | 60 | 49.1 Ų | 49.1 | 32% | 0.321 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90 | -17.2 | 172.6 | -61.3 | -77 | 0 | 0 | 0 | 113.3 | F715 D757 Y761 R771 L1442 | F715-N759 WeakPolarHBondContact CE1-O 3Å; D757-N759 PolarHBondContact O-N 3.49Å; D757-N759 WeakPolarHBondContact OD1-CB 3.19Å; D757-N759 PolarHBondContact OD1-N 3.03Å; D757-N759 PolarHBondContact OD1-ND2 2.83Å; N759-Y761 VanDerWaalsContact C-N 3.3Å; N759-R771 PolarHBondContact O-NE 3.4Å; N759-L1442 HydrophobicContact CB-CD2 4.06Å |
| 760 | L | 86.2 | Confident | 89 | Confident | 49 Ų | 49 | 46.7 Ų | 46.7 | 26% | 0.257 | 24% | 0.241 | S | C | . | . | S | Bend | trans | -79.4 | -14 | 178.2 | -63.2 | 178.3 | 0 | 0 | 0 | 113 | D757 R771 V774 L1446 | D757-L760 HydrophobicContact CB-CD1 4.24Å; D757-L760 HydrophobicContact CB-CG 4.3Å; D757-L760 WeakPolarHBondContact O-CB 3.26Å; D757-L760 PolarHBondContact O-N 3.44Å; L760-R771 WeakPolarHBondContact O-CG 3.04Å; L760-R771 PolarHBondContact O-N 3.35Å; L760-V774 HydrophobicContact CB-CG2 4.03Å; L760-V774 HydrophobicContact CD2-CG2 4.18Å; L760-L1446 HydrophobicContact CD2-CD1 4.22Å; L760-L1446 HydrophobicContact CG-CD1 4.49Å |
| 761 | Y | 90.2 | Very high | 88.6 | Confident | 39 Ų | 39 | 48.7 Ų | 48.7 | 15% | 0.153 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 168.2 | 179 | 67.3 | -86.7 | 0 | 0 | 0 | 113.3 | I751 L756 D757 P758 N759 I763 F769 F770 | I751-Y761 HydrophobicContact CD1-CD2 4.38Å; I751-Y761 HydrophobicContact CG2-CD1 4.06Å; I751-Y761 HydrophobicContact CG2-CD2 4.4Å; I751-Y761 HydrophobicContact CG2-CE1 3.45Å; I751-Y761 VanDerWaalsContact CG2-CE1 3.45Å; I751-Y761 HydrophobicContact CG2-CE2 3.86Å; L756-Y761 HydrophobicContact CB-CD1 4.22Å; L756-Y761 HydrophobicContact CB-CE1 4.09Å; D757-Y761 WeakPolarHBondContact O-CD1 3.15Å; D757-Y761 WeakPolarHBondContact O-CE1 3.08Å; P758-Y761 VanDerWaalsContact O-O 3.05Å; N759-Y761 VanDerWaalsContact C-N 3.3Å; Y761-I763 HydrophobicContact CD2-CD1 4.16Å; Y761-I763 HydrophobicContact CD2-CG1 4.14Å; Y761-I763 HydrophobicContact CE2-CD1 4.19Å; Y761-I763 HydrophobicContact CE2-CG1 3.98Å; Y761-F769 CarbonylContact C-O 3.58Å; Y761-F769 WeakPolarHBondContact CA-O 3.19Å; Y761-F769 VanDerWaalsContact CB-O 3.25Å; Y761-F769 WeakPolarHBondContact CB-O 3.49Å; Y761-F770 HydrophobicContact CG-CE1 4.47Å |
| 762 | R | 91 | Very high | 87.7 | Confident | 46 Ų | 46 | 51.9 Ų | 51.9 | 17% | 0.174 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.7 | 142.8 | 161.2 | -74.9 | -71.7 | 175.4 | -78.7 | 15.7 | 109.1 | I504 E505 F715 P758 F769 | I504-R762 HydrophobicContact CB-CB 3.93Å; I504-R762 HydrophobicContact CB-CG 4.37Å; I504-R762 HydrophobicContact CD1-CB 4.05Å; I504-R762 HydrophobicContact CD1-CG 4.29Å; I504-R762 HydrophobicContact CG2-CB 3.89Å; E505-R762 IonicContact OE2-CZ 2.66Å; E505-R762 IonicContact OE2-NE 3.38Å; E505-R762 PolarHBondContact OE2-NE 2.69Å; E505-R762 IonicContact OE2-NH2 3.66Å; E505-R762 PolarHBondContact OE2-NH2 2.77Å; F715-R762 HydrophobicContact CD1-CG 4.48Å; F715-R762 HydrophobicContact CD2-CG 4.2Å; F715-R762 HydrophobicContact CE1-CG 3.89Å; F715-R762 HydrophobicContact CE2-CG 3.57Å; F715-R762 HydrophobicContact CZ-CB 4.44Å; F715-R762 HydrophobicContact CZ-CG 3.4Å; P758-R762 PolarHBondContact O-NH1 3.39Å; R762-F769 HydrophobicContact CB-CB 4.27Å; R762-F769 PolarHBondContact N-O 2.65Å; R762-F769 PolarHBondContact O-N 3.2Å |
| 763 | I | 92.1 | Very high | 86.8 | Confident | 43 Ų | 43 | 46.3 Ų | 46.3 | 22% | 0.221 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | 117.6 | 175.8 | -60 | -68.8 | 0 | 0 | 0 | 107.8 | F721 K744 I748 I751 Y761 I768 | F721-I763 HydrophobicContact CE1-CG2 4.03Å; F721-I763 HydrophobicContact CZ-CG2 4Å; K744-I763 HydrophobicContact CD-CG2 4.28Å; K744-I763 HydrophobicContact CG-CG2 4.05Å; I748-I763 HydrophobicContact CD1-CG2 4.34Å; I748-I763 HydrophobicContact CG1-CD1 4.03Å; I748-I763 HydrophobicContact CG1-CG1 4.2Å; I748-I763 HydrophobicContact CG1-CG2 4.48Å; I751-I763 HydrophobicContact CD1-CD1 4.06Å; Y761-I763 HydrophobicContact CD2-CD1 4.16Å; Y761-I763 HydrophobicContact CD2-CG1 4.14Å; Y761-I763 HydrophobicContact CE2-CD1 4.19Å; Y761-I763 HydrophobicContact CE2-CG1 3.98Å; I763-I768 HydrophobicContact CD1-CG1 4.37Å; I763-I768 HydrophobicContact CD1-CG2 4.16Å |
| 764 | G | 91.7 | Very high | 86.5 | Confident | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.01 | 24% | 0.237 | C | C | . | . | trans | -87.9 | -154.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | E502 K744 K767 | E502-G764 CarbonylContact O-C 3.59Å; E502-G764 VanDerWaalsContact O-C 3.3Å; E502-G764 WeakPolarHBondContact O-CA 3.26Å; K744-G764 WeakPolarHBondContact CE-O 2.96Å; K744-G764 PolarHBondContact NZ-O 3.28Å; G764-K767 WeakPolarHBondContact CA-O 3.48Å; G764-K767 PolarHBondContact N-O 2.79Å | ||
| 765 | Q | 90.2 | Very high | 86.2 | Confident | 128 Ų | 128 | 43.7 Ų | 43.7 | 60% | 0.598 | 23% | 0.234 | S | C | * | . | S | Bend | trans | -95.5 | -26.8 | 175.8 | -59.8 | -60.4 | 8.2 | 0 | 0 | 113.3 | E502 F721 | E502-Q765 PolarHBondContact O-N 2.78Å; E502-Q765 PolarHBondContact OE2-N 3.46Å; F721-Q765 WeakPolarHBondContact CE2-O 3.13Å |
| 766 | S | 90.6 | Very high | 85.7 | Confident | 48 Ų | 48 | 38.5 Ų | 38.5 | 34% | 0.336 | 21% | 0.213 | S | C | . | . | S | Bend | trans | -129 | -20.5 | 173 | 85.6 | 0 | 0 | 0 | 0 | 113.8 | E502 F721 | E502-S766 PolarHBondContact OE1-OG 2.73Å; E502-S766 PolarHBondContact OE2-N 2.64Å; F721-S766 VanDerWaalsContact CD2-C 3.48Å; F721-S766 WeakPolarHBondContact CD2-O 3.07Å; F721-S766 VanDerWaalsContact CE2-CA 3.46Å; F721-S766 WeakPolarHBondContact CE2-O 3.39Å; F721-S766 PolarHBondContact N-O 2.69Å |
| 767 | K | 92.5 | Very high | 85.4 | Confident | 43 Ų | 43 | 41.7 Ų | 41.7 | 19% | 0.187 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.8 | 159 | -174.2 | -66.3 | 157.6 | -158.3 | 129.7 | 0 | 113.1 | E498 E502 I719 V720 G764 F769 | E498-K767 WeakPolarHBondContact OE1-CE 3.39Å; E498-K767 IonicContact OE1-NZ 3.56Å; E498-K767 PolarHBondContact OE1-NZ 2.9Å; E502-K767 HydrophobicContact CG-CD 4.29Å; E502-K767 WeakPolarHBondContact OE1-CD 3.48Å; E502-K767 WeakPolarHBondContact OE1-CE 2.99Å; E502-K767 IonicContact OE1-NZ 2.96Å; E502-K767 PolarHBondContact OE1-NZ 2.89Å; E502-K767 PolarHBondContact OE2-N 2.78Å; I719-K767 CarbonylContact O-C 3.56Å; I719-K767 WeakPolarHBondContact O-CA 3.48Å; V720-K767 HydrophobicContact CG2-CG 4.1Å; G764-K767 WeakPolarHBondContact CA-O 3.48Å; G764-K767 PolarHBondContact N-O 2.79Å; K767-F769 HydrophobicContact CB-CD2 4.4Å; K767-F769 HydrophobicContact CB-CE2 3.85Å; K767-F769 HydrophobicContact CB-CZ 4.4Å; K767-F769 HydrophobicContact CD-CZ 4.47Å |
| 768 | I | 92.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 131.8 | 163.1 | -43.5 | 174.8 | 0 | 0 | 0 | 107.7 | R718 I719 F721 F724 C747 I751 I763 F770 | R718-I768 WeakPolarHBondContact CA-O 2.94Å; I719-I768 HydrophobicContact CG2-CB 4.16Å; I719-I768 PolarHBondContact N-O 2.66Å; I719-I768 PolarHBondContact O-N 2.63Å; F721-I768 HydrophobicContact CD1-CD1 3.99Å; F721-I768 HydrophobicContact CD1-CG1 3.47Å; F721-I768 VanDerWaalsContact CD1-CG1 3.47Å; F721-I768 HydrophobicContact CE1-CD1 4.41Å; F721-I768 HydrophobicContact CE1-CG1 3.55Å; F724-I768 HydrophobicContact CB-CD1 3.72Å; F724-I768 HydrophobicContact CD1-CD1 3.5Å; F724-I768 VanDerWaalsContact CD1-CD1 3.5Å; F724-I768 HydrophobicContact CD2-CD1 3.93Å; F724-I768 HydrophobicContact CE1-CD1 4.07Å; F724-I768 HydrophobicContact CE2-CD1 4.47Å; F724-I768 HydrophobicContact CG-CD1 3.42Å; F724-I768 VanDerWaalsContact CG-CD1 3.42Å; C747-I768 HydrophobicContact CB-CD1 3.73Å; I751-I768 HydrophobicContact CD1-CD1 3.84Å; I751-I768 HydrophobicContact CD1-CG2 3.98Å; I763-I768 HydrophobicContact CD1-CG1 4.37Å; I763-I768 HydrophobicContact CD1-CG2 4.16Å; I768-F770 HydrophobicContact CB-CD2 4.33Å; I768-F770 HydrophobicContact CB-CE2 3.71Å; I768-F770 HydrophobicContact CB-CZ 4.3Å; I768-F770 HydrophobicContact CD1-CE2 4.46Å; I768-F770 HydrophobicContact CG2-CD2 3.95Å; I768-F770 HydrophobicContact CG2-CE1 4.25Å; I768-F770 HydrophobicContact CG2-CE2 3.32Å; I768-F770 HydrophobicContact CG2-CZ 3.5Å; I768-F770 VanDerWaalsContact CG2-CZ 3.5Å |
| 769 | F | 91.7 | Very high | 85.5 | Confident | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 20% | 0.202 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.4 | 138.7 | 176.1 | -72.8 | -94.9 | 0 | 0 | 0 | 109.2 | E498 Y499 E502 I504 F715 N717 R718 Y761 R762 K767 | E498-F769 HydrophobicContact CG-CE1 4.22Å; E498-F769 HydrophobicContact CG-CZ 4Å; Y499-F769 AromaticContact CD1-CD1 3.83Å; Y499-F769 HydrophobicContact CD1-CD1 3.83Å; Y499-F769 AromaticContact CD1-CE1 3.59Å; Y499-F769 HydrophobicContact CD1-CE1 3.59Å; Y499-F769 HydrophobicContact CD1-CZ 4.29Å; Y499-F769 AromaticContact CE1-CD1 3.62Å; Y499-F769 HydrophobicContact CE1-CD1 3.62Å; Y499-F769 AromaticContact CE1-CE1 3.64Å; Y499-F769 HydrophobicContact CE1-CE1 3.64Å; E502-F769 HydrophobicContact CB-CE2 3.57Å; E502-F769 HydrophobicContact CB-CZ 3.95Å; E502-F769 HydrophobicContact CG-CE2 3.67Å; E502-F769 HydrophobicContact CG-CZ 3.78Å; I504-F769 HydrophobicContact CD1-CB 4.43Å; I504-F769 HydrophobicContact CD1-CD2 4.39Å; I504-F769 HydrophobicContact CD1-CG 4.19Å; I504-F769 HydrophobicContact CG2-CD2 3.86Å; I504-F769 HydrophobicContact CG2-CE2 4.22Å; F715-F769 HydrophobicContact CB-CB 3.71Å; F715-F769 HydrophobicContact CB-CD1 4.45Å; F715-F769 HydrophobicContact CG-CB 4.27Å; N717-F769 CarbonylContact O-C 3.5Å; N717-F769 WeakPolarHBondContact O-CA 3.44Å; R718-F769 HydrophobicContact CB-CD1 4.05Å; R718-F769 HydrophobicContact CB-CE1 3.9Å; R718-F769 HydrophobicContact CB-CZ 4.37Å; Y761-F769 CarbonylContact C-O 3.58Å; Y761-F769 WeakPolarHBondContact CA-O 3.19Å; Y761-F769 VanDerWaalsContact CB-O 3.25Å; Y761-F769 WeakPolarHBondContact CB-O 3.49Å; R762-F769 HydrophobicContact CB-CB 4.27Å; R762-F769 PolarHBondContact N-O 2.65Å; R762-F769 PolarHBondContact O-N 3.2Å; K767-F769 HydrophobicContact CB-CD2 4.4Å; K767-F769 HydrophobicContact CB-CE2 3.85Å; K767-F769 HydrophobicContact CB-CZ 4.4Å; K767-F769 HydrophobicContact CD-CZ 4.47Å |
| 770 | F | 87.8 | Confident | 85.5 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.1 | 147.8 | -174.2 | -75.8 | -77.4 | 0 | 0 | 0 | 111.8 | F715 N717 I719 F724 I751 L756 Y761 I768 V774 L775 | F715-F770 CarbonylContact C-O 3.59Å; F715-F770 VanDerWaalsContact C-O 3.23Å; F715-F770 WeakPolarHBondContact CA-O 3.21Å; N717-F770 HydrophobicContact CB-CB 3.88Å; N717-F770 PolarHBondContact N-O 3.43Å; N717-F770 PolarHBondContact O-N 2.81Å; I719-F770 HydrophobicContact CG2-CD2 3.99Å; I719-F770 HydrophobicContact CG2-CE2 3.72Å; F724-F770 AromaticContact CD2-CE2 3.8Å; F724-F770 HydrophobicContact CD2-CE2 3.8Å; F724-F770 AromaticContact CD2-CZ 3.94Å; F724-F770 HydrophobicContact CD2-CZ 3.94Å; F724-F770 HydrophobicContact CE2-CE1 4.44Å; F724-F770 AromaticContact CE2-CE2 3.69Å; F724-F770 HydrophobicContact CE2-CE2 3.69Å; F724-F770 AromaticContact CE2-CZ 3.36Å; F724-F770 HydrophobicContact CE2-CZ 3.36Å; F724-F770 AromaticContact CZ-CZ 3.94Å; F724-F770 HydrophobicContact CZ-CZ 3.94Å; I751-F770 HydrophobicContact CD1-CZ 4.13Å; L756-F770 HydrophobicContact CD1-CE1 4.18Å; Y761-F770 HydrophobicContact CG-CE1 4.47Å; I768-F770 HydrophobicContact CB-CD2 4.33Å; I768-F770 HydrophobicContact CB-CE2 3.71Å; I768-F770 HydrophobicContact CB-CZ 4.3Å; I768-F770 HydrophobicContact CD1-CE2 4.46Å; I768-F770 HydrophobicContact CG2-CD2 3.95Å; I768-F770 HydrophobicContact CG2-CE1 4.25Å; I768-F770 HydrophobicContact CG2-CE2 3.32Å; I768-F770 HydrophobicContact CG2-CZ 3.5Å; I768-F770 VanDerWaalsContact CG2-CZ 3.5Å; F770-V774 HydrophobicContact CB-CB 4.42Å; F770-V774 HydrophobicContact CD1-CB 4.16Å; F770-V774 HydrophobicContact CD1-CG1 3.66Å; F770-V774 HydrophobicContact CE1-CG1 4.14Å; F770-L775 HydrophobicContact CB-CG 4.26Å; F770-L775 HydrophobicContact CD2-CD2 3.58Å; F770-L775 HydrophobicContact CD2-CG 4.11Å; F770-L775 HydrophobicContact CE2-CD2 3.79Å; F770-L775 HydrophobicContact CG-CD2 3.99Å; F770-L775 HydrophobicContact CG-CG 4.27Å; F770-L775 HydrophobicContact CZ-CD2 4.4Å |
| 771 | R | 82.9 | Confident | 85.5 | Confident | 43 Ų | 43 | 40.9 Ų | 40.9 | 16% | 0.162 | 21% | 0.213 | C | C | . | . | trans | -66.7 | 159.1 | 169.4 | -62.8 | -67.7 | 177.7 | 169 | -19.2 | 111.1 | R712 Q713 G714 F715 N717 N759 L760 V774 | R712-R771 PolarHBondContact O-NH1 2.87Å; Q713-R771 VanDerWaalsContact O-CZ 3.24Å; Q713-R771 PolarHBondContact O-NH1 3.44Å; Q713-R771 PolarHBondContact O-NH2 2.94Å; G714-R771 WeakPolarHBondContact O-CD 3.33Å; G714-R771 PolarHBondContact O-NH1 2.82Å; F715-R771 HydrophobicContact CD1-CG 4Å; F715-R771 HydrophobicContact CE1-CG 4.06Å; N717-R771 PolarHBondContact ND2-O 2.63Å; N759-R771 PolarHBondContact O-NE 3.4Å; L760-R771 WeakPolarHBondContact O-CG 3.04Å; L760-R771 PolarHBondContact O-N 3.35Å; R771-V774 HydrophobicContact CB-CG2 3.86Å; R771-V774 PolarHBondContact O-N 2.99Å | ||
| 772 | T | 70.7 | Confident | 85.5 | Confident | 68 Ų | 68 | 41.5 Ų | 41.5 | 42% | 0.417 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -54.3 | 138.1 | 171.7 | -49.4 | 0 | 0 | 0 | 0 | 110.6 | C711 P716 V774 | C711-T772 PolarHBondContact O-OG1 3.41Å; P716-T772 WeakPolarHBondContact CG-OG1 3.47Å; T772-V774 VanDerWaalsContact C-N 3.3Å; T772-V774 PolarHBondContact O-N 3.11Å |
| 773 | G | 72.2 | Confident | 85.3 | Confident | 43 Ų | 43 | 42 Ų | 42 | 44% | 0.443 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.1 | -23.9 | -179.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | L775 A776 H777 | G773-L775 PolarHBondContact O-N 3.48Å; G773-A776 WeakPolarHBondContact O-CB 3.11Å; G773-A776 PolarHBondContact O-N 3.14Å; G773-A776 VanDerWaalsContact O-N 3.12Å; G773-H777 PolarHBondContact O-N 2.77Å; G773-H777 VanDerWaalsContact O-N 3.17Å |
| 774 | V | 81.8 | Confident | 85.1 | Confident | 15 Ų | 15 | 45.3 Ų | 45.3 | 9% | 0.091 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -65.3 | -45.8 | -174.5 | -175.7 | 0 | 0 | 0 | 0 | 112.2 | L760 F770 R771 T772 A776 H777 L778 | L760-V774 HydrophobicContact CB-CG2 4.03Å; L760-V774 HydrophobicContact CD2-CG2 4.18Å; F770-V774 HydrophobicContact CB-CB 4.42Å; F770-V774 HydrophobicContact CD1-CB 4.16Å; F770-V774 HydrophobicContact CD1-CG1 3.66Å; F770-V774 HydrophobicContact CE1-CG1 4.14Å; R771-V774 HydrophobicContact CB-CG2 3.86Å; R771-V774 PolarHBondContact O-N 2.99Å; T772-V774 VanDerWaalsContact C-N 3.3Å; T772-V774 PolarHBondContact O-N 3.11Å; V774-A776 VanDerWaalsContact C-N 3.26Å; V774-A776 PolarHBondContact O-N 2.84Å; V774-H777 PolarHBondContact O-N 3.45Å; V774-L778 PolarHBondContact O-N 2.81Å; V774-L778 VanDerWaalsContact O-N 3.14Å |
| 775 | L | 81.7 | Confident | 84.8 | Confident | 29 Ų | 29 | 51 Ų | 51 | 15% | 0.152 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -65.8 | -27 | 174.8 | -68.2 | -171.9 | 0 | 0 | 0 | 113 | N717 Y728 F770 G773 L778 E779 | N717-L775 HydrophobicContact CB-CD1 3.81Å; N717-L775 HydrophobicContact CB-CG 4.23Å; Y728-L775 HydrophobicContact CE2-CD2 4.45Å; F770-L775 HydrophobicContact CB-CG 4.26Å; F770-L775 HydrophobicContact CD2-CD2 3.58Å; F770-L775 HydrophobicContact CD2-CG 4.11Å; F770-L775 HydrophobicContact CE2-CD2 3.79Å; F770-L775 HydrophobicContact CG-CD2 3.99Å; F770-L775 HydrophobicContact CG-CG 4.27Å; F770-L775 HydrophobicContact CZ-CD2 4.4Å; G773-L775 PolarHBondContact O-N 3.48Å; L775-L778 HydrophobicContact CD2-CD1 4.29Å; L775-E779 WeakPolarHBondContact O-CB 3.16Å; L775-E779 WeakPolarHBondContact O-CG 3.07Å; L775-E779 PolarHBondContact O-N 2.65Å |
| 776 | A | 75.9 | Confident | 84.8 | Confident | 20 Ų | 20 | 46.7 Ų | 46.7 | 17% | 0.165 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.8 | -47.7 | 175.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | H148 G773 V774 L778 E779 E780 | H148-A776 WeakPolarHBondContact CE1-CB 3.33Å; G773-A776 WeakPolarHBondContact O-CB 3.11Å; G773-A776 PolarHBondContact O-N 3.14Å; G773-A776 VanDerWaalsContact O-N 3.12Å; V774-A776 VanDerWaalsContact C-N 3.26Å; V774-A776 PolarHBondContact O-N 2.84Å; A776-L778 PolarHBondContact O-N 2.71Å; A776-E779 PolarHBondContact O-N 3.14Å; A776-E780 WeakPolarHBondContact O-CG 3.1Å; A776-E780 PolarHBondContact O-N 3.46Å |
| 777 | H | 80.6 | Confident | 84.8 | Confident | 90 Ų | 90 | 47.1 Ų | 47.1 | 42% | 0.417 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.3 | -40 | 176.6 | -178.6 | 44.6 | 0 | 0 | 0 | 112.7 | G773 V774 E780 E781 | G773-H777 PolarHBondContact O-N 2.77Å; G773-H777 VanDerWaalsContact O-N 3.17Å; V774-H777 PolarHBondContact O-N 3.45Å; H777-E780 PolarHBondContact O-N 2.85Å; H777-E781 PolarHBondContact O-N 2.85Å |
| 778 | L | 87 | Confident | 84.5 | Confident | 6 Ų | 6 | 50.4 Ų | 50.4 | 3% | 0.031 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.9 | -37.3 | 174.7 | -68.3 | 177.3 | 0 | 0 | 0 | 112.8 | F724 Y728 L731 L754 L756 V774 L775 A776 R782 | F724-L778 HydrophobicContact CE2-CD1 3.89Å; F724-L778 HydrophobicContact CZ-CD1 4.28Å; Y728-L778 HydrophobicContact CD1-CB 4.01Å; Y728-L778 HydrophobicContact CE1-CB 3.71Å; L731-L778 HydrophobicContact CD1-CD2 4.23Å; L754-L778 HydrophobicContact CD1-CD2 4.14Å; L754-L778 HydrophobicContact CD2-CD2 4.41Å; L756-L778 HydrophobicContact CD1-CD1 4.23Å; L756-L778 HydrophobicContact CD1-CD2 4.5Å; V774-L778 PolarHBondContact O-N 2.81Å; V774-L778 VanDerWaalsContact O-N 3.14Å; L775-L778 HydrophobicContact CD2-CD1 4.29Å; A776-L778 PolarHBondContact O-N 2.71Å; L778-R782 WeakPolarHBondContact O-CB 3.15Å; L778-R782 PolarHBondContact O-N 3.21Å |
| 779 | E | 83.8 | Confident | 84.3 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 11% | 0.112 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -70.6 | -31.7 | 172.5 | -73.4 | -84.1 | 99.1 | 0 | 0 | 112.3 | R727 Y728 L775 A776 R782 D783 | R727-E779 IonicContact CZ-OE1 2.62Å; R727-E779 IonicContact CZ-OE2 2.74Å; R727-E779 IonicContact NE-OE1 3.18Å; R727-E779 PolarHBondContact NE-OE1 2.67Å; R727-E779 IonicContact NE-OE2 3.73Å; R727-E779 IonicContact NH2-OE1 3.96Å; R727-E779 IonicContact NH2-OE2 3.25Å; R727-E779 PolarHBondContact NH2-OE2 3.34Å; Y728-E779 HydrophobicContact CE1-CG 4.14Å; Y728-E779 WeakPolarHBondContact CE1-OE1 3.13Å; Y728-E779 WeakPolarHBondContact OH-CG 3.08Å; Y728-E779 PolarHBondContact OH-OE1 2.67Å; L775-E779 WeakPolarHBondContact O-CB 3.16Å; L775-E779 WeakPolarHBondContact O-CG 3.07Å; L775-E779 PolarHBondContact O-N 2.65Å; A776-E779 PolarHBondContact O-N 3.14Å; E779-R782 VanDerWaalsContact OE1-CD 3.29Å; E779-R782 WeakPolarHBondContact OE1-CD 3.21Å; E779-R782 IonicContact OE1-CZ 3.66Å; E779-R782 IonicContact OE1-NE 2.6Å; E779-R782 IonicContact OE1-NH1 3.02Å; E779-R782 PolarHBondContact OE1-NH1 3.1Å; E779-R782 IonicContact OE2-NH1 2.78Å; E779-D783 WeakPolarHBondContact O-CB 3.27Å; E779-D783 VanDerWaalsContact O-CG 3.26Å; E779-D783 PolarHBondContact O-N 3.21Å |
| 780 | E | 83 | Confident | 84.1 | Confident | 98 Ų | 98 | 58.3 Ų | 58.3 | 46% | 0.458 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -65.9 | -51.2 | 173.4 | -75.6 | -179.6 | 157.1 | 0 | 0 | 112 | A776 H777 R782 D783 L784 | A776-E780 WeakPolarHBondContact O-CG 3.1Å; A776-E780 PolarHBondContact O-N 3.46Å; H777-E780 PolarHBondContact O-N 2.85Å; E780-R782 VanDerWaalsContact C-N 3.26Å; E780-R782 PolarHBondContact O-N 2.94Å; E780-D783 PolarHBondContact O-N 3.39Å; E780-L784 WeakPolarHBondContact O-CB 3.48Å; E780-L784 VanDerWaalsContact O-CG 3.31Å; E780-L784 WeakPolarHBondContact O-CG 3.27Å; E780-L784 PolarHBondContact O-N 3.04Å |
| 781 | E | 85.5 | Confident | 84.3 | Confident | 74 Ų | 74 | 63.4 Ų | 63.4 | 35% | 0.346 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.2 | -37.9 | 174.7 | -81.4 | -67.2 | 128.3 | 0 | 0 | 111.5 | L731 H777 L784 K785 | L731-E781 HydrophobicContact CD1-CB 4.41Å; L731-E781 HydrophobicContact CD2-CB 4.19Å; H777-E781 PolarHBondContact O-N 2.85Å; E781-L784 PolarHBondContact O-N 3.28Å; E781-K785 VanDerWaalsContact O-CG 3.31Å; E781-K785 WeakPolarHBondContact O-CG 3.29Å; E781-K785 PolarHBondContact O-N 3.31Å |
| 782 | R | 89.9 | Confident | 84.8 | Confident | 53 Ų | 53 | 64.3 Ų | 64.3 | 20% | 0.2 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -64.8 | -46.5 | 175.5 | 177.4 | 177.8 | 173.6 | -93.2 | -13.3 | 112.2 | R727 Y728 I730 L731 L778 E779 E780 L784 K785 I786 | R727-R782 WeakPolarHBondContact O-CD 2.94Å; R727-R782 PolarHBondContact O-NE 3.41Å; Y728-R782 HydrophobicContact CD1-CB 4.41Å; I730-R782 HydrophobicContact CG2-CG 4.24Å; L731-R782 HydrophobicContact CD2-CB 4.38Å; L778-R782 WeakPolarHBondContact O-CB 3.15Å; L778-R782 PolarHBondContact O-N 3.21Å; E779-R782 VanDerWaalsContact OE1-CD 3.29Å; E779-R782 WeakPolarHBondContact OE1-CD 3.21Å; E779-R782 IonicContact OE1-CZ 3.66Å; E779-R782 IonicContact OE1-NE 2.6Å; E779-R782 IonicContact OE1-NH1 3.02Å; E779-R782 PolarHBondContact OE1-NH1 3.1Å; E779-R782 IonicContact OE2-NH1 2.78Å; E780-R782 VanDerWaalsContact C-N 3.26Å; E780-R782 PolarHBondContact O-N 2.94Å; R782-L784 VanDerWaalsContact C-N 3.33Å; R782-L784 PolarHBondContact O-N 2.93Å; R782-K785 PolarHBondContact O-N 2.9Å; R782-I786 HydrophobicContact CG-CD1 3.65Å; R782-I786 HydrophobicContact CG-CG1 4.45Å; R782-I786 WeakPolarHBondContact O-CB 3.14Å; R782-I786 VanDerWaalsContact O-CG1 3.28Å; R782-I786 WeakPolarHBondContact O-CG1 3.18Å; R782-I786 PolarHBondContact O-N 3Å |
| 783 | D | 87.3 | Confident | 85.8 | Confident | 56 Ų | 56 | 67.4 Ų | 67.4 | 30% | 0.299 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -64.8 | -38 | 177.2 | -76.5 | -24.5 | 0 | 0 | 0 | 111.4 | K146 E779 E780 K785 I786 T787 | K146-D783 IonicContact NZ-OD2 2.84Å; K146-D783 PolarHBondContact NZ-OD2 3.07Å; E779-D783 WeakPolarHBondContact O-CB 3.27Å; E779-D783 VanDerWaalsContact O-CG 3.26Å; E779-D783 PolarHBondContact O-N 3.21Å; E780-D783 PolarHBondContact O-N 3.39Å; D783-K785 PolarHBondContact O-N 3.15Å; D783-I786 PolarHBondContact O-N 3.47Å; D783-T787 WeakPolarHBondContact O-CB 3.02Å; D783-T787 PolarHBondContact O-N 3.32Å; D783-T787 PolarHBondContact O-OG1 3.5Å |
| 784 | L | 87.4 | Confident | 86.7 | Confident | 112 Ų | 112 | 69.3 Ų | 69.3 | 59% | 0.586 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.5 | -43 | 171.9 | -72.6 | 171.6 | 0 | 0 | 0 | 111.8 | E780 E781 R782 | E780-L784 WeakPolarHBondContact O-CB 3.48Å; E780-L784 VanDerWaalsContact O-CG 3.31Å; E780-L784 WeakPolarHBondContact O-CG 3.27Å; E780-L784 PolarHBondContact O-N 3.04Å; E781-L784 PolarHBondContact O-N 3.28Å; R782-L784 VanDerWaalsContact C-N 3.33Å; R782-L784 PolarHBondContact O-N 2.93Å |
| 785 | K | 86.5 | Confident | 87.3 | Confident | 120 Ų | 120 | 71.6 Ų | 71.6 | 52% | 0.522 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -69.3 | -34.9 | 176.2 | -68.9 | -66.1 | -176.3 | 177.2 | 0 | 113.9 | I730 L731 E781 R782 D783 | I730-K785 HydrophobicContact CD1-CB 4.46Å; L731-K785 HydrophobicContact CD2-CB 4.5Å; L731-K785 HydrophobicContact CD2-CG 3.83Å; E781-K785 VanDerWaalsContact O-CG 3.31Å; E781-K785 WeakPolarHBondContact O-CG 3.29Å; E781-K785 PolarHBondContact O-N 3.31Å; R782-K785 PolarHBondContact O-N 2.9Å; D783-K785 PolarHBondContact O-N 3.15Å |
| 786 | I | 89.3 | Confident | 87.9 | Confident | 38 Ų | 38 | 76.6 Ų | 76.6 | 20% | 0.195 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -84 | -18.7 | -178 | -63.2 | 173.8 | 0 | 0 | 0 | 111.6 | I730 R782 D783 D788 V789 I790 | I730-I786 HydrophobicContact CD1-CD1 4.31Å; I730-I786 HydrophobicContact CD1-CG1 3.59Å; R782-I786 HydrophobicContact CG-CD1 3.65Å; R782-I786 HydrophobicContact CG-CG1 4.45Å; R782-I786 WeakPolarHBondContact O-CB 3.14Å; R782-I786 VanDerWaalsContact O-CG1 3.28Å; R782-I786 WeakPolarHBondContact O-CG1 3.18Å; R782-I786 PolarHBondContact O-N 3Å; D783-I786 PolarHBondContact O-N 3.47Å; I786-D788 VanDerWaalsContact C-N 3.34Å; I786-D788 PolarHBondContact O-N 3.26Å; I786-V789 WeakPolarHBondContact O-CB 2.93Å; I786-V789 PolarHBondContact O-N 3.46Å; I786-I790 HydrophobicContact CB-CD1 4.49Å; I786-I790 HydrophobicContact CG2-CD1 3.67Å; I786-I790 HydrophobicContact CG2-CG1 3.86Å; I786-I790 PolarHBondContact O-N 2.83Å |
| 787 | T | 90 | Very high | 88.7 | Confident | 58 Ų | 58 | 77.8 Ų | 77.8 | 36% | 0.356 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -52.9 | -42.6 | -177.1 | -75.1 | 0 | 0 | 0 | 0 | 113.7 | D783 V789 I790 M791 | D783-T787 WeakPolarHBondContact O-CB 3.02Å; D783-T787 PolarHBondContact O-N 3.32Å; D783-T787 PolarHBondContact O-OG1 3.5Å; T787-V789 PolarHBondContact O-N 3.27Å; T787-I790 PolarHBondContact O-N 3.38Å; T787-M791 HydrophobicContact CG2-CE 4.05Å; T787-M791 HydrophobicContact CG2-CG 4.47Å; T787-M791 HydrophobicContact CG2-SD 4.43Å; T787-M791 WeakPolarHBondContact O-CG 3.23Å; T787-M791 PolarHBondContact O-N 3.2Å |
| 788 | D | 86.6 | Confident | 89.4 | Confident | 111 Ų | 111 | 81.5 Ų | 81.5 | 59% | 0.594 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 178.1 | -69.1 | -30.7 | 0 | 0 | 0 | 112.4 | I786 M791 A792 | I786-D788 VanDerWaalsContact C-N 3.34Å; I786-D788 PolarHBondContact O-N 3.26Å; D788-M791 PolarHBondContact O-N 3.32Å; D788-M791 WeakPolarHBondContact OD1-CE 3.06Å; D788-A792 WeakPolarHBondContact O-CB 3.39Å; D788-A792 PolarHBondContact O-N 2.94Å |
| 789 | V | 88.4 | Confident | 89.7 | Confident | 95 Ų | 95 | 82.5 Ų | 82.5 | 58% | 0.576 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -65.9 | -41.1 | 176.1 | -175.1 | 0 | 0 | 0 | 0 | 110.4 | I786 T787 A792 F793 | I786-V789 WeakPolarHBondContact O-CB 2.93Å; I786-V789 PolarHBondContact O-N 3.46Å; T787-V789 PolarHBondContact O-N 3.27Å; V789-A792 PolarHBondContact O-N 3.25Å; V789-F793 VanDerWaalsContact O-CB 3.23Å; V789-F793 WeakPolarHBondContact O-CB 3.37Å; V789-F793 PolarHBondContact O-N 2.88Å |
| 790 | I | 88.8 | Confident | 90.3 | Very high | 71 Ų | 71 | 87.7 Ų | 87.7 | 36% | 0.364 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -61 | -45.8 | 174.2 | -75.1 | 166.1 | 0 | 0 | 0 | 110.8 | I786 T787 F793 Q794 | I786-I790 HydrophobicContact CB-CD1 4.49Å; I786-I790 HydrophobicContact CG2-CD1 3.67Å; I786-I790 HydrophobicContact CG2-CG1 3.86Å; I786-I790 PolarHBondContact O-N 2.83Å; T787-I790 PolarHBondContact O-N 3.38Å; I790-F793 PolarHBondContact O-N 2.86Å; I790-Q794 HydrophobicContact CG2-CG 4.21Å; I790-Q794 VanDerWaalsContact CG2-NE2 3.25Å; I790-Q794 VanDerWaalsContact O-CB 3.27Å; I790-Q794 WeakPolarHBondContact O-CB 2.87Å; I790-Q794 VanDerWaalsContact O-CG 3.24Å; I790-Q794 WeakPolarHBondContact O-CG 3.3Å; I790-Q794 PolarHBondContact O-N 2.96Å |
| 791 | M | 90.7 | Very high | 90.7 | Very high | 107 Ų | 107 | 88.3 Ų | 88.3 | 53% | 0.527 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.9 | -45.8 | 178.9 | -72.1 | -169.6 | -63 | 0 | 0 | 111.7 | T787 D788 Q794 A795 | T787-M791 HydrophobicContact CG2-CE 4.05Å; T787-M791 HydrophobicContact CG2-CG 4.47Å; T787-M791 HydrophobicContact CG2-SD 4.43Å; T787-M791 WeakPolarHBondContact O-CG 3.23Å; T787-M791 PolarHBondContact O-N 3.2Å; D788-M791 PolarHBondContact O-N 3.32Å; D788-M791 WeakPolarHBondContact OD1-CE 3.06Å; M791-Q794 PolarHBondContact O-N 2.9Å; M791-A795 WeakPolarHBondContact O-CB 3.04Å; M791-A795 PolarHBondContact O-N 2.97Å |
| 792 | A | 93 | Very high | 91.1 | Very high | 63 Ų | 63 | 87.7 Ų | 87.7 | 52% | 0.521 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.1 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | D788 V789 A795 M796 | D788-A792 WeakPolarHBondContact O-CB 3.39Å; D788-A792 PolarHBondContact O-N 2.94Å; V789-A792 PolarHBondContact O-N 3.25Å; A792-A795 PolarHBondContact O-N 3.43Å; A792-M796 PolarHBondContact O-N 2.66Å |
| 793 | F | 92.9 | Very high | 91.4 | Very high | 133 Ų | 133 | 93.2 Ų | 93.2 | 58% | 0.583 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -64.5 | -44 | 176.9 | 178.4 | -106.9 | 0 | 0 | 0 | 112.2 | V789 I790 A795 M796 C797 | V789-F793 VanDerWaalsContact O-CB 3.23Å; V789-F793 WeakPolarHBondContact O-CB 3.37Å; V789-F793 PolarHBondContact O-N 2.88Å; I790-F793 PolarHBondContact O-N 2.86Å; F793-A795 VanDerWaalsContact C-N 3.35Å; F793-A795 PolarHBondContact O-N 2.95Å; F793-M796 PolarHBondContact O-N 2.75Å; F793-C797 VanDerWaalsContact CE2-SG 3.58Å; F793-C797 WeakPolarHBondContact CZ-SG 2.94Å; F793-C797 WeakPolarHBondContact O-CB 3.12Å; F793-C797 PolarHBondContact O-N 3.48Å; F793-C797 PolarHBondContact O-SG 2.69Å |
| 794 | Q | 91 | Very high | 91.6 | Very high | 83 Ų | 83 | 96.7 Ų | 96.7 | 39% | 0.388 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.4 | -41.8 | 175.3 | -77.4 | -171.2 | 31.3 | 0 | 0 | 111.7 | I790 M791 C797 R798 | I790-Q794 HydrophobicContact CG2-CG 4.21Å; I790-Q794 VanDerWaalsContact CG2-NE2 3.25Å; I790-Q794 VanDerWaalsContact O-CB 3.27Å; I790-Q794 WeakPolarHBondContact O-CB 2.87Å; I790-Q794 VanDerWaalsContact O-CG 3.24Å; I790-Q794 WeakPolarHBondContact O-CG 3.3Å; I790-Q794 PolarHBondContact O-N 2.96Å; M791-Q794 PolarHBondContact O-N 2.9Å; Q794-C797 PolarHBondContact O-N 2.65Å; Q794-R798 WeakPolarHBondContact O-CB 3.5Å; Q794-R798 WeakPolarHBondContact O-CG 3.22Å; Q794-R798 PolarHBondContact O-N 2.6Å |
| 795 | A | 93.5 | Very high | 91.9 | Very high | 63 Ų | 63 | 94.3 Ų | 94.3 | 52% | 0.521 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | M791 A792 F793 R798 G799 | M791-A795 WeakPolarHBondContact O-CB 3.04Å; M791-A795 PolarHBondContact O-N 2.97Å; A792-A795 PolarHBondContact O-N 3.43Å; F793-A795 VanDerWaalsContact C-N 3.35Å; F793-A795 PolarHBondContact O-N 2.95Å; A795-R798 PolarHBondContact O-N 2.81Å; A795-G799 PolarHBondContact O-N 2.69Å |
| 796 | M | 94.7 | Very high | 92.3 | Very high | 134 Ų | 134 | 95 Ų | 95 | 66% | 0.66 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.8 | -45.4 | 176.5 | -169.3 | -176 | -65.6 | 0 | 0 | 112.1 | A792 F793 G799 Y800 | A792-M796 PolarHBondContact O-N 2.66Å; F793-M796 PolarHBondContact O-N 2.75Å; M796-G799 PolarHBondContact O-N 2.72Å; M796-Y800 WeakPolarHBondContact O-CB 3.39Å; M796-Y800 PolarHBondContact O-N 2.68Å |
| 797 | C | 93.5 | Very high | 92.5 | Very high | 45 Ų | 45 | 95.9 Ų | 95.9 | 30% | 0.304 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.8 | -44.7 | 178.3 | -71.9 | 0 | 0 | 0 | 0 | 112.3 | F793 Q794 G799 Y800 L801 | F793-C797 VanDerWaalsContact CE2-SG 3.58Å; F793-C797 WeakPolarHBondContact CZ-SG 2.94Å; F793-C797 WeakPolarHBondContact O-CB 3.12Å; F793-C797 PolarHBondContact O-N 3.48Å; F793-C797 PolarHBondContact O-SG 2.69Å; Q794-C797 PolarHBondContact O-N 2.65Å; C797-G799 VanDerWaalsContact C-N 3.32Å; C797-G799 PolarHBondContact O-N 3.34Å; C797-Y800 PolarHBondContact O-N 2.78Å; C797-L801 WeakPolarHBondContact O-CB 3.01Å; C797-L801 WeakPolarHBondContact O-CG 3.27Å; C797-L801 PolarHBondContact O-N 2.77Å |
| 798 | R | 93.7 | Very high | 92.6 | Very high | 168 Ų | 168 | 99.5 Ų | 99.5 | 63% | 0.634 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -59.8 | -43.5 | 173.9 | -71.2 | 171.9 | -165.8 | -166.2 | 8.7 | 110.6 | Q794 A795 A802 | Q794-R798 WeakPolarHBondContact O-CB 3.5Å; Q794-R798 WeakPolarHBondContact O-CG 3.22Å; Q794-R798 PolarHBondContact O-N 2.6Å; A795-R798 PolarHBondContact O-N 2.81Å; R798-A802 WeakPolarHBondContact O-CB 3.49Å; R798-A802 PolarHBondContact O-N 2.92Å |
| 799 | G | 95.1 | Very high | 92.9 | Very high | 26 Ų | 26 | 103.2 Ų | 103.2 | 27% | 0.268 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -66 | -37.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | A795 M796 C797 R803 | A795-G799 PolarHBondContact O-N 2.69Å; M796-G799 PolarHBondContact O-N 2.72Å; C797-G799 VanDerWaalsContact C-N 3.32Å; C797-G799 PolarHBondContact O-N 3.34Å; G799-R803 WeakPolarHBondContact O-CB 3.36Å; G799-R803 WeakPolarHBondContact O-CG 3.31Å; G799-R803 PolarHBondContact O-N 3.17Å; G799-R803 VanDerWaalsContact O-N 3.12Å; G799-R803 PolarHBondContact O-NE 3.21Å |
| 800 | Y | 94.7 | Very high | 93.1 | Very high | 133 Ų | 133 | 103.9 Ų | 103.9 | 52% | 0.522 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -66.1 | -50.4 | 173 | 174.3 | -93.7 | 0 | 0 | 0 | 111.6 | M796 C797 A802 R803 K804 | M796-Y800 WeakPolarHBondContact O-CB 3.39Å; M796-Y800 PolarHBondContact O-N 2.68Å; C797-Y800 PolarHBondContact O-N 2.78Å; Y800-A802 PolarHBondContact O-N 3.39Å; Y800-R803 PolarHBondContact O-N 3.32Å; Y800-K804 HydrophobicContact CE1-CD 4.1Å; Y800-K804 PolarHBondContact O-N 3.41Å |
| 801 | L | 93.4 | Very high | 93.2 | Very high | 111 Ų | 111 | 107.4 Ų | 107.4 | 58% | 0.581 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -61.8 | -42.3 | 178.2 | -71.9 | 172.3 | 0 | 0 | 0 | 111.8 | C797 K804 A805 | C797-L801 WeakPolarHBondContact O-CB 3.01Å; C797-L801 WeakPolarHBondContact O-CG 3.27Å; C797-L801 PolarHBondContact O-N 2.77Å; L801-K804 PolarHBondContact O-N 2.89Å; L801-A805 VanDerWaalsContact O-CB 3.28Å; L801-A805 WeakPolarHBondContact O-CB 2.92Å; L801-A805 PolarHBondContact O-N 3.33Å |
| 802 | A | 93.4 | Very high | 93.3 | Very high | 61 Ų | 61 | 107.7 Ų | 107.7 | 50% | 0.504 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.9 | -46.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | R798 Y800 A805 F806 | R798-A802 WeakPolarHBondContact O-CB 3.49Å; R798-A802 PolarHBondContact O-N 2.92Å; Y800-A802 PolarHBondContact O-N 3.39Å; A802-A805 PolarHBondContact O-N 3Å; A802-F806 WeakPolarHBondContact O-CB 3.07Å; A802-F806 PolarHBondContact O-N 2.88Å |
| 803 | R | 95.4 | Very high | 93.3 | Very high | 169 Ų | 169 | 108.5 Ų | 108.5 | 64% | 0.638 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -63.1 | -43 | 176 | -75.4 | 176.9 | -70.5 | -164 | 3.7 | 112.3 | G799 Y800 F806 A807 | G799-R803 WeakPolarHBondContact O-CB 3.36Å; G799-R803 WeakPolarHBondContact O-CG 3.31Å; G799-R803 PolarHBondContact O-N 3.17Å; G799-R803 VanDerWaalsContact O-N 3.12Å; G799-R803 PolarHBondContact O-NE 3.21Å; Y800-R803 PolarHBondContact O-N 3.32Å; R803-F806 PolarHBondContact O-N 2.85Å; R803-A807 WeakPolarHBondContact O-CB 3.42Å; R803-A807 PolarHBondContact O-N 3.33Å |
| 804 | K | 92.9 | Very high | 93.3 | Very high | 130 Ų | 130 | 106.2 Ų | 106.2 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -64.4 | -43.1 | 177.1 | -170.4 | 172.6 | -175.2 | 171.9 | 0 | 112.3 | Y800 L801 K808 | Y800-K804 HydrophobicContact CE1-CD 4.1Å; Y800-K804 PolarHBondContact O-N 3.41Å; L801-K804 PolarHBondContact O-N 2.89Å; K804-K808 PolarHBondContact O-N 2.83Å; K804-K808 VanDerWaalsContact O-N 3.16Å |
| 805 | A | 93 | Very high | 93.4 | Very high | 62 Ų | 62 | 104.6 Ų | 104.6 | 51% | 0.512 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -68.4 | -39 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L801 A802 K808 R809 | L801-A805 VanDerWaalsContact O-CB 3.28Å; L801-A805 WeakPolarHBondContact O-CB 2.92Å; L801-A805 PolarHBondContact O-N 3.33Å; A802-A805 PolarHBondContact O-N 3Å; A805-K808 PolarHBondContact O-N 3.37Å; A805-R809 WeakPolarHBondContact O-CB 3.33Å; A805-R809 PolarHBondContact O-N 3.3Å |
| 806 | F | 93.9 | Very high | 93.3 | Very high | 135 Ų | 135 | 106.8 Ų | 106.8 | 59% | 0.592 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -62.4 | -47.9 | 174.8 | -179.5 | -90.3 | 0 | 0 | 0 | 111.5 | A802 R803 K808 R809 Q810 | A802-F806 WeakPolarHBondContact O-CB 3.07Å; A802-F806 PolarHBondContact O-N 2.88Å; R803-F806 PolarHBondContact O-N 2.85Å; F806-K808 VanDerWaalsContact C-N 3.35Å; F806-K808 PolarHBondContact O-N 3.09Å; F806-R809 CarbonylContact O-C 3.56Å; F806-R809 PolarHBondContact O-N 2.88Å; F806-R809 VanDerWaalsContact O-N 3.1Å; F806-Q810 WeakPolarHBondContact O-CB 2.97Å; F806-Q810 PolarHBondContact O-N 3.08Å |
| 807 | A | 93.2 | Very high | 93.3 | Very high | 55 Ų | 55 | 106.6 Ų | 106.6 | 46% | 0.455 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -58.7 | -44.2 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112 | R803 R809 Q810 Q811 | R803-A807 WeakPolarHBondContact O-CB 3.42Å; R803-A807 PolarHBondContact O-N 3.33Å; A807-R809 PolarHBondContact O-N 3.47Å; A807-Q810 PolarHBondContact O-N 3.46Å; A807-Q811 PolarHBondContact O-N 2.92Å |
| 808 | K | 92.9 | Very high | 93.3 | Very high | 134 Ų | 134 | 108 Ų | 108 | 58% | 0.583 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.3 | -41 | 173.9 | -172.3 | 169.8 | -177.1 | 172.5 | 0 | 112.1 | K804 A805 F806 Q810 Q811 Q812 | K804-K808 PolarHBondContact O-N 2.83Å; K804-K808 VanDerWaalsContact O-N 3.16Å; A805-K808 PolarHBondContact O-N 3.37Å; F806-K808 VanDerWaalsContact C-N 3.35Å; F806-K808 PolarHBondContact O-N 3.09Å; K808-Q810 VanDerWaalsContact C-N 3.35Å; K808-Q811 PolarHBondContact O-N 2.97Å; K808-Q812 WeakPolarHBondContact O-CB 3.06Å; K808-Q812 VanDerWaalsContact O-CG 3.3Å; K808-Q812 WeakPolarHBondContact O-CG 3.05Å; K808-Q812 PolarHBondContact O-N 2.84Å |
| 809 | R | 92.6 | Very high | 93.3 | Very high | 190 Ų | 190 | 105.2 Ų | 105.2 | 72% | 0.717 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -67.5 | -33 | 175.8 | -171.5 | 174.5 | -179.3 | 171.9 | 0.1 | 112.4 | A805 F806 A807 L813 | A805-R809 WeakPolarHBondContact O-CB 3.33Å; A805-R809 PolarHBondContact O-N 3.3Å; F806-R809 CarbonylContact O-C 3.56Å; F806-R809 PolarHBondContact O-N 2.88Å; F806-R809 VanDerWaalsContact O-N 3.1Å; A807-R809 PolarHBondContact O-N 3.47Å; R809-L813 WeakPolarHBondContact O-CB 2.96Å; R809-L813 PolarHBondContact O-N 2.96Å |
| 810 | Q | 92.9 | Very high | 93.2 | Very high | 109 Ų | 109 | 110 Ų | 110 | 51% | 0.509 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -69.8 | -43.4 | 175 | -174.7 | 178.5 | -1.4 | 0 | 0 | 111.1 | F806 A807 K808 L813 T814 | F806-Q810 WeakPolarHBondContact O-CB 2.97Å; F806-Q810 PolarHBondContact O-N 3.08Å; A807-Q810 PolarHBondContact O-N 3.46Å; K808-Q810 VanDerWaalsContact C-N 3.35Å; Q810-L813 PolarHBondContact O-N 2.94Å; Q810-T814 PolarHBondContact O-N 3.43Å; Q810-T814 PolarHBondContact O-OG1 3.25Å |
| 811 | Q | 90.8 | Very high | 93.2 | Very high | 145 Ų | 145 | 112.5 Ų | 112.5 | 68% | 0.678 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.2 | -46.8 | 171.2 | -170.9 | -172.6 | 18.6 | 0 | 0 | 111.2 | A807 K808 L813 T814 A815 | A807-Q811 PolarHBondContact O-N 2.92Å; K808-Q811 PolarHBondContact O-N 2.97Å; Q811-L813 VanDerWaalsContact C-N 3.32Å; Q811-L813 PolarHBondContact O-N 3.12Å; Q811-T814 PolarHBondContact O-N 3.48Å; Q811-A815 PolarHBondContact O-N 3.2Å |
| 812 | Q | 92.9 | Very high | 93.2 | Very high | 113 Ų | 113 | 111.8 Ų | 111.8 | 53% | 0.528 | 55% | 0.55 | S | S | . | . | H | α-helix | trans | -60.7 | -37.6 | 174.3 | -74.8 | 175 | -27.4 | 0 | 0 | 112.7 | K808 A815 M816 | K808-Q812 WeakPolarHBondContact O-CB 3.06Å; K808-Q812 VanDerWaalsContact O-CG 3.3Å; K808-Q812 WeakPolarHBondContact O-CG 3.05Å; K808-Q812 PolarHBondContact O-N 2.84Å; Q812-A815 PolarHBondContact O-N 3.2Å; Q812-M816 VanDerWaalsContact O-CB 3.23Å; Q812-M816 WeakPolarHBondContact O-CB 3.43Å; Q812-M816 PolarHBondContact O-N 2.68Å |
| 813 | L | 94 | Very high | 93.2 | Very high | 80 Ų | 80 | 112 Ų | 112 | 42% | 0.419 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -68.5 | -38.5 | 176.2 | -178 | 63.2 | 0 | 0 | 0 | 112 | R809 Q810 Q811 M816 K817 | R809-L813 WeakPolarHBondContact O-CB 2.96Å; R809-L813 PolarHBondContact O-N 2.96Å; Q810-L813 PolarHBondContact O-N 2.94Å; Q811-L813 VanDerWaalsContact C-N 3.32Å; Q811-L813 PolarHBondContact O-N 3.12Å; L813-M816 HydrophobicContact CD1-CE 4.42Å; L813-M816 HydrophobicContact CD1-SD 4.16Å; L813-M816 PolarHBondContact O-N 3.39Å; L813-K817 WeakPolarHBondContact O-CG 3.4Å; L813-K817 PolarHBondContact O-N 3.38Å |
| 814 | T | 91.8 | Very high | 93.1 | Very high | 85 Ų | 85 | 106.7 Ų | 106.7 | 52% | 0.521 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.7 | -45.9 | 173.7 | -62.4 | 0 | 0 | 0 | 0 | 111 | Q810 Q811 M816 K817 V818 | Q810-T814 PolarHBondContact O-N 3.43Å; Q810-T814 PolarHBondContact O-OG1 3.25Å; Q811-T814 PolarHBondContact O-N 3.48Å; T814-M816 VanDerWaalsContact C-N 3.35Å; T814-M816 PolarHBondContact O-N 3.39Å; T814-K817 PolarHBondContact O-N 3.43Å; T814-V818 WeakPolarHBondContact O-CG2 2.98Å; T814-V818 PolarHBondContact O-N 3.39Å; T814-V818 VanDerWaalsContact O-N 3.09Å |
| 815 | A | 92.6 | Very high | 93.1 | Very high | 49 Ų | 49 | 102.6 Ų | 102.6 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.3 | -43.2 | 173 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q811 Q812 K817 V818 I819 | Q811-A815 PolarHBondContact O-N 3.2Å; Q812-A815 PolarHBondContact O-N 3.2Å; A815-K817 PolarHBondContact O-N 2.71Å; A815-V818 PolarHBondContact O-N 3.01Å; A815-I819 WeakPolarHBondContact O-CG1 3.13Å; A815-I819 PolarHBondContact O-N 2.69Å |
| 816 | M | 92.9 | Very high | 93 | Very high | 109 Ų | 109 | 106.1 Ų | 106.1 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -59 | -43.2 | 174.7 | -174.4 | -159.7 | -61.2 | 0 | 0 | 111.7 | Q812 L813 T814 V818 I819 Q820 | Q812-M816 VanDerWaalsContact O-CB 3.23Å; Q812-M816 WeakPolarHBondContact O-CB 3.43Å; Q812-M816 PolarHBondContact O-N 2.68Å; L813-M816 HydrophobicContact CD1-CE 4.42Å; L813-M816 HydrophobicContact CD1-SD 4.16Å; L813-M816 PolarHBondContact O-N 3.39Å; T814-M816 VanDerWaalsContact C-N 3.35Å; T814-M816 PolarHBondContact O-N 3.39Å; M816-V818 VanDerWaalsContact C-N 3.34Å; M816-V818 PolarHBondContact O-N 2.73Å; M816-I819 PolarHBondContact O-N 2.96Å; M816-Q820 WeakPolarHBondContact O-CB 2.85Å; M816-Q820 PolarHBondContact O-N 3.47Å |
| 817 | K | 93.7 | Very high | 92.8 | Very high | 130 Ų | 130 | 104.2 Ų | 104.2 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.9 | -39.6 | 175.4 | -76.5 | 178.7 | 177 | -175 | 0 | 112.1 | L813 T814 A815 R821 | L813-K817 WeakPolarHBondContact O-CG 3.4Å; L813-K817 PolarHBondContact O-N 3.38Å; T814-K817 PolarHBondContact O-N 3.43Å; A815-K817 PolarHBondContact O-N 2.71Å; K817-R821 WeakPolarHBondContact O-CB 3.45Å; K817-R821 PolarHBondContact O-N 2.91Å |
| 818 | V | 93.1 | Very high | 92.7 | Very high | 75 Ų | 75 | 110.1 Ų | 110.1 | 46% | 0.455 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.3 | -43.8 | 175.2 | 174.5 | 0 | 0 | 0 | 0 | 111.2 | T814 A815 M816 R821 N822 | T814-V818 WeakPolarHBondContact O-CG2 2.98Å; T814-V818 PolarHBondContact O-N 3.39Å; T814-V818 VanDerWaalsContact O-N 3.09Å; A815-V818 PolarHBondContact O-N 3.01Å; M816-V818 VanDerWaalsContact C-N 3.34Å; M816-V818 PolarHBondContact O-N 2.73Å; V818-R821 PolarHBondContact O-N 3.18Å; V818-N822 PolarHBondContact O-N 3.38Å; V818-N822 VanDerWaalsContact O-N 3.08Å; V818-N822 PolarHBondContact O-ND2 3.46Å |
| 819 | I | 93.8 | Very high | 92.6 | Very high | 108 Ų | 108 | 106.3 Ų | 106.3 | 55% | 0.554 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -63.1 | -46.9 | 175.3 | -67.3 | 163.9 | 0 | 0 | 0 | 110.4 | A815 M816 R821 N822 C823 | A815-I819 WeakPolarHBondContact O-CG1 3.13Å; A815-I819 PolarHBondContact O-N 2.69Å; M816-I819 PolarHBondContact O-N 2.96Å; I819-R821 VanDerWaalsContact C-N 3.34Å; I819-R821 PolarHBondContact O-N 3.4Å; I819-N822 WeakPolarHBondContact O-CB 3.48Å; I819-N822 PolarHBondContact O-N 3.38Å; I819-N822 VanDerWaalsContact O-N 3.12Å; I819-C823 PolarHBondContact O-N 3.38Å; I819-C823 PolarHBondContact O-SG 2.89Å; I819-C823 VanDerWaalsContact O-SG 3.34Å |
| 820 | Q | 93.2 | Very high | 92.4 | Very high | 127 Ų | 127 | 102.8 Ų | 102.8 | 59% | 0.593 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -58.5 | -43.1 | 177.6 | -174 | -176.2 | 15.3 | 0 | 0 | 111.7 | M816 C823 A824 | M816-Q820 WeakPolarHBondContact O-CB 2.85Å; M816-Q820 PolarHBondContact O-N 3.47Å; Q820-C823 PolarHBondContact O-N 3.17Å; Q820-A824 WeakPolarHBondContact O-CB 3.35Å; Q820-A824 PolarHBondContact O-N 3.32Å |
| 821 | R | 94.4 | Very high | 92.2 | Very high | 185 Ų | 185 | 102.7 Ų | 102.7 | 70% | 0.698 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -61.3 | -43.7 | 174.7 | -169.1 | 179.4 | 76.2 | 168.7 | 3.2 | 111.7 | K817 V818 I819 A824 A825 | K817-R821 WeakPolarHBondContact O-CB 3.45Å; K817-R821 PolarHBondContact O-N 2.91Å; V818-R821 PolarHBondContact O-N 3.18Å; I819-R821 VanDerWaalsContact C-N 3.34Å; I819-R821 PolarHBondContact O-N 3.4Å; R821-A824 PolarHBondContact O-N 3Å; R821-A825 WeakPolarHBondContact O-CB 3.28Å; R821-A825 PolarHBondContact O-N 2.8Å |
| 822 | N | 94.1 | Very high | 92.2 | Very high | 96 Ų | 96 | 102.4 Ų | 102.4 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 176 | -80.7 | -73 | 0 | 0 | 0 | 112.1 | V818 I819 A824 A825 Y826 | V818-N822 PolarHBondContact O-N 3.38Å; V818-N822 VanDerWaalsContact O-N 3.08Å; V818-N822 PolarHBondContact O-ND2 3.46Å; I819-N822 WeakPolarHBondContact O-CB 3.48Å; I819-N822 PolarHBondContact O-N 3.38Å; I819-N822 VanDerWaalsContact O-N 3.12Å; N822-A824 PolarHBondContact O-N 3.16Å; N822-A825 PolarHBondContact O-N 2.76Å; N822-Y826 WeakPolarHBondContact O-CB 3.43Å; N822-Y826 PolarHBondContact O-N 2.81Å |
| 823 | C | 93.1 | Very high | 92 | Very high | 67 Ų | 67 | 103.1 Ų | 103.1 | 45% | 0.453 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -42.9 | 175.8 | -69 | 0 | 0 | 0 | 0 | 111.9 | I819 Q820 Y826 L827 | I819-C823 PolarHBondContact O-N 3.38Å; I819-C823 PolarHBondContact O-SG 2.89Å; I819-C823 VanDerWaalsContact O-SG 3.34Å; Q820-C823 PolarHBondContact O-N 3.17Å; C823-Y826 PolarHBondContact O-N 2.89Å; C823-L827 WeakPolarHBondContact O-CB 3.47Å; C823-L827 VanDerWaalsContact O-CG 3.24Å; C823-L827 WeakPolarHBondContact O-CG 3.13Å; C823-L827 PolarHBondContact O-N 3.44Å |
| 824 | A | 93.3 | Very high | 91.8 | Very high | 57 Ų | 57 | 107.4 Ų | 107.4 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -64 | -42.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q820 R821 N822 L827 K828 | Q820-A824 WeakPolarHBondContact O-CB 3.35Å; Q820-A824 PolarHBondContact O-N 3.32Å; R821-A824 PolarHBondContact O-N 3Å; N822-A824 PolarHBondContact O-N 3.16Å; A824-L827 PolarHBondContact O-N 3.24Å; A824-K828 PolarHBondContact O-N 2.82Å |
| 825 | A | 92.2 | Very high | 91.6 | Very high | 44 Ų | 44 | 107.3 Ų | 107.3 | 36% | 0.364 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -62.2 | -43.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | R821 N822 K828 L829 | R821-A825 WeakPolarHBondContact O-CB 3.28Å; R821-A825 PolarHBondContact O-N 2.8Å; N822-A825 PolarHBondContact O-N 2.76Å; A825-K828 WeakPolarHBondContact O-CB 3.09Å; A825-K828 PolarHBondContact O-N 2.8Å; A825-L829 WeakPolarHBondContact O-CB 3.22Å; A825-L829 VanDerWaalsContact O-CG 3.31Å; A825-L829 WeakPolarHBondContact O-CG 3.38Å; A825-L829 PolarHBondContact O-N 2.82Å |
| 826 | Y | 91.3 | Very high | 91.3 | Very high | 136 Ų | 136 | 111.6 Ų | 111.6 | 53% | 0.533 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -62.4 | -42 | 175.1 | 177.5 | -109.8 | 0 | 0 | 0 | 112.5 | N822 C823 K828 L829 R830 | N822-Y826 WeakPolarHBondContact O-CB 3.43Å; N822-Y826 PolarHBondContact O-N 2.81Å; C823-Y826 PolarHBondContact O-N 2.89Å; Y826-K828 VanDerWaalsContact C-N 3.28Å; Y826-K828 PolarHBondContact O-N 3.04Å; Y826-L829 PolarHBondContact O-N 2.87Å; Y826-R830 HydrophobicContact CE1-CB 4.49Å; Y826-R830 HydrophobicContact CE2-CB 4.12Å; Y826-R830 VanDerWaalsContact O-CB 3.3Å; Y826-R830 WeakPolarHBondContact O-CB 3.18Å; Y826-R830 WeakPolarHBondContact O-CG 3.32Å; Y826-R830 PolarHBondContact O-N 2.93Å |
| 827 | L | 90.6 | Very high | 91.1 | Very high | 94 Ų | 94 | 110.9 Ų | 110.9 | 49% | 0.492 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.5 | -35.6 | 175.1 | -72.7 | 172.3 | 0 | 0 | 0 | 112.4 | C823 A824 R830 | C823-L827 WeakPolarHBondContact O-CB 3.47Å; C823-L827 VanDerWaalsContact O-CG 3.24Å; C823-L827 WeakPolarHBondContact O-CG 3.13Å; C823-L827 PolarHBondContact O-N 3.44Å; A824-L827 PolarHBondContact O-N 3.24Å; L827-R830 VanDerWaalsContact CD2-CZ 3.4Å |
| 828 | K | 90.6 | Very high | 90.8 | Very high | 179 Ų | 179 | 110 Ų | 110 | 78% | 0.778 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -70.8 | -41.9 | 173 | -173.8 | 177.3 | 179.6 | 179.5 | 0 | 112.3 | A824 A825 Y826 | A824-K828 PolarHBondContact O-N 2.82Å; A825-K828 WeakPolarHBondContact O-CB 3.09Å; A825-K828 PolarHBondContact O-N 2.8Å; Y826-K828 VanDerWaalsContact C-N 3.28Å; Y826-K828 PolarHBondContact O-N 3.04Å |
| 829 | L | 90.7 | Very high | 90.5 | Very high | 55 Ų | 55 | 109.6 Ų | 109.6 | 29% | 0.288 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -82.5 | -34.9 | -173.4 | -70.2 | 170.2 | 0 | 0 | 0 | 114.4 | A825 Y826 N831 W832 W835 | A825-L829 WeakPolarHBondContact O-CB 3.22Å; A825-L829 VanDerWaalsContact O-CG 3.31Å; A825-L829 WeakPolarHBondContact O-CG 3.38Å; A825-L829 PolarHBondContact O-N 2.82Å; Y826-L829 PolarHBondContact O-N 2.87Å; L829-N831 PolarHBondContact O-N 3.04Å; L829-W832 HydrophobicContact CD2-CE3 3.86Å; L829-W832 HydrophobicContact CD2-CZ3 4.26Å; L829-W832 VanDerWaalsContact O-CB 3.29Å; L829-W832 WeakPolarHBondContact O-CB 3.21Å; L829-W832 PolarHBondContact O-N 2.64Å; L829-W835 HydrophobicContact CB-CD2 4.34Å; L829-W835 HydrophobicContact CB-CE3 4.41Å; L829-W835 HydrophobicContact CD1-CZ3 4.29Å; L829-W835 WeakPolarHBondContact O-CB 3.35Å |
| 830 | R | 88.7 | Confident | 90.3 | Very high | 116 Ų | 116 | 112.3 Ų | 112.3 | 44% | 0.438 | 52% | 0.519 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -26.3 | -174 | 69.6 | -179.8 | -174 | 162.5 | 2.1 | 114.7 | Y826 L827 | Y826-R830 HydrophobicContact CE1-CB 4.49Å; Y826-R830 HydrophobicContact CE2-CB 4.12Å; Y826-R830 VanDerWaalsContact O-CB 3.3Å; Y826-R830 WeakPolarHBondContact O-CB 3.18Å; Y826-R830 WeakPolarHBondContact O-CG 3.32Å; Y826-R830 PolarHBondContact O-N 2.93Å; L827-R830 VanDerWaalsContact CD2-CZ 3.4Å |
| 831 | N | 87.4 | Confident | 90.1 | Very high | 106 Ų | 106 | 110 Ų | 110 | 57% | 0.567 | 51% | 0.514 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.7 | -5.9 | 179.8 | -72.8 | -6.9 | 0 | 0 | 0 | 113.2 | L829 | L829-N831 PolarHBondContact O-N 3.04Š|
| 832 | W | 91.1 | Very high | 89.7 | Confident | 140 Ų | 140 | 106.5 Ų | 106.5 | 53% | 0.53 | 50% | 0.504 | S | S | . | . | trans | -75.3 | 127 | -180 | -170 | 41.1 | 0 | 0 | 0 | 109.9 | L829 W834 W835 | L829-W832 HydrophobicContact CD2-CE3 3.86Å; L829-W832 HydrophobicContact CD2-CZ3 4.26Å; L829-W832 VanDerWaalsContact O-CB 3.29Å; L829-W832 WeakPolarHBondContact O-CB 3.21Å; L829-W832 PolarHBondContact O-N 2.64Å; W832-W834 VanDerWaalsContact C-N 3.28Å; W832-W834 HydrophobicContact CD2-CB 3.92Å; W832-W834 AromaticContact CE2-CD1 3.75Å; W832-W834 HydrophobicContact CE3-CB 4.08Å; W832-W834 HydrophobicContact CH2-CB 4.14Å; W832-W834 HydrophobicContact CZ2-CB 3.98Å; W832-W834 AromaticContact CZ2-CD1 3.82Å; W832-W834 HydrophobicContact CZ2-CG 4.14Å; W832-W834 HydrophobicContact CZ3-CB 4.19Å; W832-W834 AromaticContact NE1-CD1 3.71Å; W832-W834 PolarHBondContact O-N 3.32Å; W832-W835 HydrophobicContact CB-CB 4.34Å; W832-W835 WeakPolarHBondContact O-CB 3.37Å; W832-W835 PolarHBondContact O-N 3.02Å | ||
| 833 | Q | 88.6 | Confident | 89.3 | Confident | 127 Ų | 127 | 104.9 Ų | 104.9 | 59% | 0.593 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.2 | -34.7 | -172.6 | -58.2 | -67 | 5.9 | 0 | 0 | 112.4 | W835 R836 L837 | Q833-W835 VanDerWaalsContact C-N 3.25Å; Q833-W835 PolarHBondContact O-N 3.12Å; Q833-R836 WeakPolarHBondContact O-CB 3.34Å; Q833-R836 PolarHBondContact O-N 3.35Å; Q833-R836 VanDerWaalsContact O-N 3.14Å; Q833-L837 PolarHBondContact O-N 2.97Å |
| 834 | W | 91 | Very high | 89 | Confident | 170 Ų | 170 | 108.6 Ų | 108.6 | 64% | 0.644 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -60.3 | -32.9 | 172.9 | -73 | 105.8 | 0 | 0 | 0 | 113 | W832 R836 L837 F838 | W832-W834 VanDerWaalsContact C-N 3.28Å; W832-W834 HydrophobicContact CD2-CB 3.92Å; W832-W834 AromaticContact CE2-CD1 3.75Å; W832-W834 HydrophobicContact CE3-CB 4.08Å; W832-W834 HydrophobicContact CH2-CB 4.14Å; W832-W834 HydrophobicContact CZ2-CB 3.98Å; W832-W834 AromaticContact CZ2-CD1 3.82Å; W832-W834 HydrophobicContact CZ2-CG 4.14Å; W832-W834 HydrophobicContact CZ3-CB 4.19Å; W832-W834 AromaticContact NE1-CD1 3.71Å; W832-W834 PolarHBondContact O-N 3.32Å; W834-R836 VanDerWaalsContact C-N 3.33Å; W834-R836 PolarHBondContact O-N 2.73Å; W834-L837 HydrophobicContact CE3-CD2 4.09Å; W834-L837 HydrophobicContact CZ3-CD2 3.95Å; W834-L837 PolarHBondContact O-N 2.89Å; W834-F838 VanDerWaalsContact O-CB 3.25Å; W834-F838 WeakPolarHBondContact O-CB 3.31Å; W834-F838 PolarHBondContact O-N 2.88Å |
| 835 | W | 87.9 | Confident | 88.6 | Confident | 84 Ų | 84 | 112.2 Ų | 112.2 | 32% | 0.318 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 175.4 | -165.9 | -106.4 | 0 | 0 | 0 | 111.4 | L829 W832 Q833 L837 F838 T839 | L829-W835 HydrophobicContact CB-CD2 4.34Å; L829-W835 HydrophobicContact CB-CE3 4.41Å; L829-W835 HydrophobicContact CD1-CZ3 4.29Å; L829-W835 WeakPolarHBondContact O-CB 3.35Å; W832-W835 HydrophobicContact CB-CB 4.34Å; W832-W835 WeakPolarHBondContact O-CB 3.37Å; W832-W835 PolarHBondContact O-N 3.02Å; Q833-W835 VanDerWaalsContact C-N 3.25Å; Q833-W835 PolarHBondContact O-N 3.12Å; W835-L837 VanDerWaalsContact C-N 3.34Å; W835-L837 PolarHBondContact O-N 2.99Å; W835-F838 PolarHBondContact O-N 3.46Å; W835-T839 HydrophobicContact CD2-CG2 4.46Å; W835-T839 HydrophobicContact CG-CG2 4.49Å; W835-T839 WeakPolarHBondContact O-CB 3.4Å; W835-T839 WeakPolarHBondContact O-CG2 3.3Å; W835-T839 PolarHBondContact O-N 2.92Å; W835-T839 PolarHBondContact O-OG1 3.18Å |
| 836 | R | 85.9 | Confident | 88.3 | Confident | 138 Ų | 138 | 113.8 Ų | 113.8 | 52% | 0.521 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -68.1 | -29.9 | 177.8 | -64.2 | 175.5 | 170.8 | -175.8 | -9 | 113.7 | Q833 W834 K840 | Q833-R836 WeakPolarHBondContact O-CB 3.34Å; Q833-R836 PolarHBondContact O-N 3.35Å; Q833-R836 VanDerWaalsContact O-N 3.14Å; W834-R836 VanDerWaalsContact C-N 3.33Å; W834-R836 PolarHBondContact O-N 2.73Å; R836-K840 WeakPolarHBondContact O-CG 3.49Å |
| 837 | L | 88.1 | Confident | 88 | Confident | 95 Ų | 95 | 111.9 Ų | 111.9 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -76.3 | -48.9 | 173.7 | -178.8 | 60.3 | 0 | 0 | 0 | 110.2 | Q833 W834 W835 T839 K840 V841 | Q833-L837 PolarHBondContact O-N 2.97Å; W834-L837 HydrophobicContact CE3-CD2 4.09Å; W834-L837 HydrophobicContact CZ3-CD2 3.95Å; W834-L837 PolarHBondContact O-N 2.89Å; W835-L837 VanDerWaalsContact C-N 3.34Å; W835-L837 PolarHBondContact O-N 2.99Å; L837-T839 PolarHBondContact O-N 3.43Å; L837-K840 PolarHBondContact O-N 3.44Å; L837-K840 VanDerWaalsContact O-N 3.11Å; L837-V841 HydrophobicContact CD1-CG2 4.49Å; L837-V841 PolarHBondContact O-N 3.05Å; L837-V841 VanDerWaalsContact O-N 3.12Å |
| 838 | F | 87.9 | Confident | 87.7 | Confident | 110 Ų | 110 | 111.9 Ų | 111.9 | 48% | 0.482 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.8 | -43.4 | -179.7 | -179.7 | -109.3 | 0 | 0 | 0 | 112.8 | W834 W835 K840 V841 K842 | W834-F838 VanDerWaalsContact O-CB 3.25Å; W834-F838 WeakPolarHBondContact O-CB 3.31Å; W834-F838 PolarHBondContact O-N 2.88Å; W835-F838 PolarHBondContact O-N 3.46Å; F838-K840 PolarHBondContact O-N 3.37Å; F838-V841 PolarHBondContact O-N 3.08Å; F838-K842 HydrophobicContact CE1-CD 4.08Å; F838-K842 HydrophobicContact CZ-CD 4.09Å; F838-K842 WeakPolarHBondContact O-CB 3.25Å; F838-K842 PolarHBondContact O-N 3.18Å |
| 839 | T | 87.4 | Confident | 87.3 | Confident | 68 Ų | 68 | 109 Ų | 109 | 42% | 0.417 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -70.5 | -16.6 | 177.8 | 56.5 | 0 | 0 | 0 | 0 | 114 | W835 L837 P843 | W835-T839 HydrophobicContact CD2-CG2 4.46Å; W835-T839 HydrophobicContact CG-CG2 4.49Å; W835-T839 WeakPolarHBondContact O-CB 3.4Å; W835-T839 WeakPolarHBondContact O-CG2 3.3Å; W835-T839 PolarHBondContact O-N 2.92Å; W835-T839 PolarHBondContact O-OG1 3.18Å; L837-T839 PolarHBondContact O-N 3.43Å; T839-P843 WeakPolarHBondContact O-CD 3.16Å; T839-P843 WeakPolarHBondContact O-CG 3.49Å |
| 840 | K | 88 | Confident | 87.1 | Confident | 164 Ų | 164 | 111.5 Ų | 111.5 | 71% | 0.713 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -83.4 | -31.9 | 169.1 | -75.9 | -174.9 | 173.9 | -168.2 | 0 | 113.1 | R836 L837 F838 | R836-K840 WeakPolarHBondContact O-CG 3.49Å; L837-K840 PolarHBondContact O-N 3.44Å; L837-K840 VanDerWaalsContact O-N 3.11Å; F838-K840 PolarHBondContact O-N 3.37Å |
| 841 | V | 89.1 | Confident | 87 | Confident | 80 Ų | 80 | 112 Ų | 112 | 49% | 0.485 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -83.7 | -39 | 180 | 176.8 | 0 | 0 | 0 | 0 | 112 | L837 F838 P843 L844 | L837-V841 HydrophobicContact CD1-CG2 4.49Å; L837-V841 PolarHBondContact O-N 3.05Å; L837-V841 VanDerWaalsContact O-N 3.12Å; F838-V841 PolarHBondContact O-N 3.08Å; V841-P843 VanDerWaalsContact C-CD 3.48Å; V841-P843 VanDerWaalsContact C-N 3.34Å; V841-L844 WeakPolarHBondContact O-CB 3.24Å; V841-L844 PolarHBondContact O-N 2.83Å |
| 842 | K | 85.9 | Confident | 87 | Confident | 111 Ų | 111 | 113 Ų | 113 | 48% | 0.483 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -54.1 | -37.4 | -177.2 | -176.2 | 170.1 | -178.9 | 172.3 | 0 | 114.5 | F838 L844 | F838-K842 HydrophobicContact CE1-CD 4.08Å; F838-K842 HydrophobicContact CZ-CD 4.09Å; F838-K842 WeakPolarHBondContact O-CB 3.25Å; F838-K842 PolarHBondContact O-N 3.18Å; K842-L844 PolarHBondContact O-N 3.11Å |
| 843 | P | 86 | Confident | 86.8 | Confident | 61 Ų | 61 | 111.7 Ų | 111.7 | 40% | 0.396 | 53% | 0.533 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.1 | -8.2 | 175.2 | -20.9 | 34.6 | 0 | 0 | 0 | 115.4 | T839 V841 Q846 | T839-P843 WeakPolarHBondContact O-CD 3.16Å; T839-P843 WeakPolarHBondContact O-CG 3.49Å; V841-P843 VanDerWaalsContact C-CD 3.48Å; V841-P843 VanDerWaalsContact C-N 3.34Å; P843-Q846 VanDerWaalsContact O-CG 3.24Å; P843-Q846 WeakPolarHBondContact O-CG 3.16Å; P843-Q846 PolarHBondContact O-NE2 2.66Å |
| 844 | L | 87 | Confident | 86.7 | Confident | 145 Ų | 145 | 111.4 Ų | 111.4 | 76% | 0.759 | 53% | 0.533 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | -28.5 | 178 | -56.4 | 177 | 0 | 0 | 0 | 112.4 | V841 K842 Q846 | V841-L844 WeakPolarHBondContact O-CB 3.24Å; V841-L844 PolarHBondContact O-N 2.83Å; K842-L844 PolarHBondContact O-N 3.11Å; L844-Q846 PolarHBondContact O-N 2.86Å |
| 845 | L | 84.8 | Confident | 86.7 | Confident | 133 Ų | 133 | 108.5 Ų | 108.5 | 70% | 0.696 | 53% | 0.526 | S | S | * | . | trans | -98.5 | 76.1 | -179.2 | -167.3 | 71.2 | 0 | 0 | 0 | 110 | ||||
| 846 | Q | 85.7 | Confident | 86.8 | Confident | 77 Ų | 77 | 107.3 Ų | 107.3 | 36% | 0.36 | 53% | 0.534 | S | S | . | . | trans | -93.7 | -3 | -172.6 | -58.2 | -165.1 | 10 | 0 | 0 | 115.3 | P843 L844 T848 R849 Q850 | P843-Q846 VanDerWaalsContact O-CG 3.24Å; P843-Q846 WeakPolarHBondContact O-CG 3.16Å; P843-Q846 PolarHBondContact O-NE2 2.66Å; L844-Q846 PolarHBondContact O-N 2.86Å; Q846-T848 PolarHBondContact O-N 3.01Å; Q846-T848 VanDerWaalsContact O-N 3.17Å; Q846-R849 CarbonylContact O-C 3.59Å; Q846-R849 WeakPolarHBondContact O-CA 3.17Å; Q846-R849 WeakPolarHBondContact O-CB 3.36Å; Q846-R849 PolarHBondContact O-N 2.67Å; Q846-Q850 HydrophobicContact CB-CG 4.14Å; Q846-Q850 PolarHBondContact O-N 3.03Å | ||
| 847 | V | 86 | Confident | 87 | Confident | 96 Ų | 96 | 105.2 Ų | 105.2 | 58% | 0.582 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -52.9 | -44.7 | -169.4 | -65.5 | 0 | 0 | 0 | 0 | 114.5 | R849 Q850 E851 | V847-R849 VanDerWaalsContact C-N 3.33Å; V847-R849 PolarHBondContact O-N 3.42Å; V847-Q850 PolarHBondContact O-N 3.46Å; V847-E851 PolarHBondContact O-N 3.11Å |
| 848 | T | 83.9 | Confident | 87.1 | Confident | 94 Ų | 94 | 106.5 Ų | 106.5 | 58% | 0.577 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -70.5 | -30.5 | 176.2 | 63.8 | 0 | 0 | 0 | 0 | 112.8 | Q846 E851 E852 | Q846-T848 PolarHBondContact O-N 3.01Å; Q846-T848 VanDerWaalsContact O-N 3.17Å; T848-E851 PolarHBondContact O-N 2.7Å; T848-E852 WeakPolarHBondContact O-CB 3.46Å; T848-E852 VanDerWaalsContact O-CG 3.23Å; T848-E852 WeakPolarHBondContact O-CG 3.49Å; T848-E852 PolarHBondContact O-N 3.42Å |
| 849 | R | 82.2 | Confident | 87.2 | Confident | 120 Ų | 120 | 104.9 Ų | 104.9 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -73.2 | -32.8 | 175.6 | -77.4 | 176.6 | 144 | -159.8 | -13 | 112.4 | Q846 V847 E851 E853 | Q846-R849 CarbonylContact O-C 3.59Å; Q846-R849 WeakPolarHBondContact O-CA 3.17Å; Q846-R849 WeakPolarHBondContact O-CB 3.36Å; Q846-R849 PolarHBondContact O-N 2.67Å; V847-R849 VanDerWaalsContact C-N 3.33Å; V847-R849 PolarHBondContact O-N 3.42Å; R849-E851 VanDerWaalsContact C-N 3.33Å; R849-E853 WeakPolarHBondContact O-CB 3.39Å; R849-E853 PolarHBondContact O-N 3.14Å |
| 850 | Q | 85.8 | Confident | 87.4 | Confident | 106 Ų | 106 | 106.4 Ų | 106.4 | 50% | 0.495 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -70 | -34.9 | 174.8 | -72 | 176 | -45.7 | 0 | 0 | 110.4 | Q846 V847 M854 | Q846-Q850 HydrophobicContact CB-CG 4.14Å; Q846-Q850 PolarHBondContact O-N 3.03Å; V847-Q850 PolarHBondContact O-N 3.46Å; Q850-M854 WeakPolarHBondContact O-CB 3.43Å; Q850-M854 PolarHBondContact O-N 3.41Å |
| 851 | E | 87.8 | Confident | 87.5 | Confident | 127 Ų | 127 | 104.2 Ų | 104.2 | 59% | 0.593 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -68.4 | -49.1 | 170.8 | -151.5 | 76 | 169.8 | 0 | 0 | 111.9 | V847 T848 R849 E853 M854 Q855 | V847-E851 PolarHBondContact O-N 3.11Å; T848-E851 PolarHBondContact O-N 2.7Å; R849-E851 VanDerWaalsContact C-N 3.33Å; E851-E853 VanDerWaalsContact C-N 3.31Å; E851-E853 PolarHBondContact O-N 3.12Å; E851-M854 PolarHBondContact O-N 2.7Å; E851-Q855 PolarHBondContact O-N 3.46Å |
| 852 | E | 86.8 | Confident | 87.7 | Confident | 127 Ų | 127 | 104.7 Ų | 104.7 | 59% | 0.593 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -57.2 | -42.5 | 174.2 | -74.9 | 167.4 | 172.3 | 0 | 0 | 111.8 | T848 A856 | T848-E852 WeakPolarHBondContact O-CB 3.46Å; T848-E852 VanDerWaalsContact O-CG 3.23Å; T848-E852 WeakPolarHBondContact O-CG 3.49Å; T848-E852 PolarHBondContact O-N 3.42Å; E852-A856 WeakPolarHBondContact O-CB 3.34Å; E852-A856 PolarHBondContact O-N 2.98Å |
| 853 | E | 87.9 | Confident | 87.9 | Confident | 113 Ų | 113 | 104.7 Ų | 104.7 | 53% | 0.528 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -72.7 | -34.3 | 177.8 | -174.7 | 167.3 | -166.6 | 0 | 0 | 111.7 | R849 E851 K857 | R849-E853 WeakPolarHBondContact O-CB 3.39Å; R849-E853 PolarHBondContact O-N 3.14Å; E851-E853 VanDerWaalsContact C-N 3.31Å; E851-E853 PolarHBondContact O-N 3.12Å; E853-K857 HydrophobicContact CG-CG 4.28Å; E853-K857 WeakPolarHBondContact O-CB 3.48Å; E853-K857 WeakPolarHBondContact O-CG 3.15Å; E853-K857 PolarHBondContact O-N 2.98Å |
| 854 | M | 86.2 | Confident | 88.1 | Confident | 121 Ų | 121 | 105.3 Ų | 105.3 | 60% | 0.596 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65 | -48 | 173.8 | -167.9 | -176 | -39.9 | 0 | 0 | 111 | Q850 E851 K857 E858 | Q850-M854 WeakPolarHBondContact O-CB 3.43Å; Q850-M854 PolarHBondContact O-N 3.41Å; E851-M854 PolarHBondContact O-N 2.7Å; M854-K857 PolarHBondContact O-N 3.12Å; M854-E858 PolarHBondContact O-N 2.83Å |
| 855 | Q | 90.8 | Very high | 88.4 | Confident | 109 Ų | 109 | 105 Ų | 105 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -65.5 | -41.7 | 177.5 | -166.6 | 65 | 77.6 | 0 | 0 | 111.6 | E851 K857 E858 D859 | E851-Q855 PolarHBondContact O-N 3.46Å; Q855-K857 VanDerWaalsContact C-N 3.29Å; Q855-K857 PolarHBondContact O-N 2.88Å; Q855-E858 PolarHBondContact NE2-OE2 2.87Å; Q855-E858 PolarHBondContact O-N 2.95Å; Q855-D859 WeakPolarHBondContact O-CB 3.47Å; Q855-D859 PolarHBondContact O-N 2.73Å |
| 856 | A | 90 | Very high | 88.6 | Confident | 58 Ų | 58 | 102.8 Ų | 102.8 | 48% | 0.479 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -32.7 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | E852 E860 | E852-A856 WeakPolarHBondContact O-CB 3.34Å; E852-A856 PolarHBondContact O-N 2.98Å; A856-E860 VanDerWaalsContact O-CB 3.25Å; A856-E860 WeakPolarHBondContact O-CB 3.47Å; A856-E860 PolarHBondContact O-N 3.1Å |
| 857 | K | 89.9 | Confident | 88.8 | Confident | 95 Ų | 95 | 108.3 Ų | 108.3 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -73.7 | -35.1 | 173.7 | -76.7 | -73 | 168.3 | -159 | 0 | 112.5 | E853 M854 Q855 E860 L861 | E853-K857 HydrophobicContact CG-CG 4.28Å; E853-K857 WeakPolarHBondContact O-CB 3.48Å; E853-K857 WeakPolarHBondContact O-CG 3.15Å; E853-K857 PolarHBondContact O-N 2.98Å; M854-K857 PolarHBondContact O-N 3.12Å; Q855-K857 VanDerWaalsContact C-N 3.29Å; Q855-K857 PolarHBondContact O-N 2.88Å; K857-E860 WeakPolarHBondContact CD-OE2 3.32Å; K857-E860 WeakPolarHBondContact CE-OE2 3.43Å; K857-E860 IonicContact NZ-OE1 2.63Å; K857-E860 IonicContact NZ-OE2 3.78Å; K857-E860 PolarHBondContact NZ-OE2 3.39Å; K857-E860 PolarHBondContact O-N 3.09Å; K857-L861 WeakPolarHBondContact O-CB 3.43Å; K857-L861 WeakPolarHBondContact O-CD1 3Å; K857-L861 WeakPolarHBondContact O-CG 3.11Å; K857-L861 PolarHBondContact O-N 3.37Å |
| 858 | E | 90.6 | Very high | 89.1 | Confident | 121 Ų | 121 | 109 Ų | 109 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.2 | -47.2 | 171.5 | -173.5 | 170.4 | -133.5 | 0 | 0 | 110.5 | M854 Q855 E860 L861 Q862 | M854-E858 PolarHBondContact O-N 2.83Å; Q855-E858 PolarHBondContact NE2-OE2 2.87Å; Q855-E858 PolarHBondContact O-N 2.95Å; E858-E860 PolarHBondContact O-N 2.88Å; E858-L861 PolarHBondContact O-N 2.89Å; E858-Q862 WeakPolarHBondContact O-CB 3.21Å; E858-Q862 PolarHBondContact O-N 2.97Å |
| 859 | D | 89.5 | Confident | 89.5 | Confident | 76 Ų | 76 | 108.7 Ų | 108.7 | 41% | 0.406 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -56.7 | -46.5 | 172.6 | -107.8 | 47.8 | 0 | 0 | 0 | 112.7 | Q855 K863 | Q855-D859 WeakPolarHBondContact O-CB 3.47Å; Q855-D859 PolarHBondContact O-N 2.73Å; D859-K863 WeakPolarHBondContact O-CB 3.45Å; D859-K863 VanDerWaalsContact O-CD 3.32Å; D859-K863 WeakPolarHBondContact O-CD 3.27Å; D859-K863 VanDerWaalsContact O-CG 3.25Å; D859-K863 WeakPolarHBondContact O-CG 3.34Å; D859-K863 PolarHBondContact O-N 2.88Å; D859-K863 IonicContact OD2-NZ 2.78Å; D859-K863 PolarHBondContact OD2-NZ 2.89Å |
| 860 | E | 90.9 | Very high | 89.8 | Confident | 100 Ų | 100 | 108.4 Ų | 108.4 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.2 | -41.2 | 179.2 | -173.6 | -179.7 | -161.9 | 0 | 0 | 111.6 | A856 K857 E858 T864 | A856-E860 VanDerWaalsContact O-CB 3.25Å; A856-E860 WeakPolarHBondContact O-CB 3.47Å; A856-E860 PolarHBondContact O-N 3.1Å; K857-E860 WeakPolarHBondContact CD-OE2 3.32Å; K857-E860 WeakPolarHBondContact CE-OE2 3.43Å; K857-E860 IonicContact NZ-OE1 2.63Å; K857-E860 IonicContact NZ-OE2 3.78Å; K857-E860 PolarHBondContact NZ-OE2 3.39Å; K857-E860 PolarHBondContact O-N 3.09Å; E858-E860 PolarHBondContact O-N 2.88Å; E860-T864 WeakPolarHBondContact O-CB 3.38Å; E860-T864 PolarHBondContact O-N 2.72Å; E860-T864 PolarHBondContact O-OG1 3.44Å |
| 861 | L | 90.8 | Very high | 90 | Very high | 118 Ų | 118 | 105 Ų | 105 | 62% | 0.618 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -64.9 | -43 | 175.7 | -77.2 | 168 | 0 | 0 | 0 | 111.2 | K857 E858 T864 K865 | K857-L861 WeakPolarHBondContact O-CB 3.43Å; K857-L861 WeakPolarHBondContact O-CD1 3Å; K857-L861 WeakPolarHBondContact O-CG 3.11Å; K857-L861 PolarHBondContact O-N 3.37Å; E858-L861 PolarHBondContact O-N 2.89Å; L861-T864 PolarHBondContact O-N 2.7Å; L861-K865 WeakPolarHBondContact O-CB 3.01Å; L861-K865 PolarHBondContact O-N 2.73Å |
| 862 | Q | 92.6 | Very high | 90.3 | Very high | 91 Ų | 91 | 102.4 Ų | 102.4 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.7 | -48.3 | 176.5 | 179.1 | 58.4 | 20.2 | 0 | 0 | 111.1 | E858 T864 K865 E866 | E858-Q862 WeakPolarHBondContact O-CB 3.21Å; E858-Q862 PolarHBondContact O-N 2.97Å; Q862-T864 VanDerWaalsContact C-N 3.27Å; Q862-T864 PolarHBondContact O-N 3.37Å; Q862-K865 PolarHBondContact O-N 3.16Å; Q862-E866 PolarHBondContact NE2-OE1 3.41Å; Q862-E866 WeakPolarHBondContact O-CG 3.16Å; Q862-E866 PolarHBondContact O-N 2.81Å |
| 863 | K | 90.6 | Very high | 90.5 | Very high | 111 Ų | 111 | 99.9 Ų | 99.9 | 48% | 0.483 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -32.7 | 175.7 | -72.3 | 160.8 | -175.3 | 155.9 | 0 | 112.5 | D859 R867 | D859-K863 WeakPolarHBondContact O-CB 3.45Å; D859-K863 VanDerWaalsContact O-CD 3.32Å; D859-K863 WeakPolarHBondContact O-CD 3.27Å; D859-K863 VanDerWaalsContact O-CG 3.25Å; D859-K863 WeakPolarHBondContact O-CG 3.34Å; D859-K863 PolarHBondContact O-N 2.88Å; D859-K863 IonicContact OD2-NZ 2.78Å; D859-K863 PolarHBondContact OD2-NZ 2.89Å; K863-R867 VanDerWaalsContact O-CG 3.28Å; K863-R867 WeakPolarHBondContact O-CG 3.47Å; K863-R867 PolarHBondContact O-N 2.86Å |
| 864 | T | 90.5 | Very high | 90.6 | Very high | 74 Ų | 74 | 99.8 Ų | 99.8 | 45% | 0.454 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73 | -43.2 | 174.4 | -59.3 | 0 | 0 | 0 | 0 | 111.3 | E860 L861 Q862 R867 Q868 | E860-T864 WeakPolarHBondContact O-CB 3.38Å; E860-T864 PolarHBondContact O-N 2.72Å; E860-T864 PolarHBondContact O-OG1 3.44Å; L861-T864 PolarHBondContact O-N 2.7Å; Q862-T864 VanDerWaalsContact C-N 3.27Å; Q862-T864 PolarHBondContact O-N 3.37Å; T864-R867 PolarHBondContact O-N 2.7Å; T864-Q868 VanDerWaalsContact O-CB 3.31Å; T864-Q868 WeakPolarHBondContact O-CB 3.31Å; T864-Q868 PolarHBondContact O-N 3.49Å |
| 865 | K | 92.6 | Very high | 90.7 | Very high | 137 Ų | 137 | 99.2 Ų | 99.2 | 60% | 0.596 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -62.3 | -42 | 176.4 | -175.4 | -178.2 | 178.7 | -173.4 | 0 | 111.8 | L861 Q862 Q868 Q869 | L861-K865 WeakPolarHBondContact O-CB 3.01Å; L861-K865 PolarHBondContact O-N 2.73Å; Q862-K865 PolarHBondContact O-N 3.16Å; K865-Q868 PolarHBondContact O-N 2.67Å; K865-Q869 WeakPolarHBondContact O-CB 3.14Å; K865-Q869 PolarHBondContact O-N 3.13Å |
| 866 | E | 89.8 | Confident | 90.9 | Very high | 87 Ų | 87 | 98.3 Ų | 98.3 | 41% | 0.407 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.2 | -37.5 | 175 | -74.7 | 175.4 | -155.7 | 0 | 0 | 113.2 | Q862 K870 | Q862-E866 PolarHBondContact NE2-OE1 3.41Å; Q862-E866 WeakPolarHBondContact O-CG 3.16Å; Q862-E866 PolarHBondContact O-N 2.81Å; E866-K870 WeakPolarHBondContact O-CD 3.31Å; E866-K870 WeakPolarHBondContact O-CG 2.93Å; E866-K870 PolarHBondContact O-N 3.38Å |
| 867 | R | 90 | Very high | 90.9 | Very high | 193 Ų | 193 | 101.4 Ų | 101.4 | 73% | 0.728 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68.8 | -44.3 | 173.3 | -74.8 | 171.9 | 177.7 | -178.4 | -0.4 | 111.2 | K863 T864 K870 A871 | K863-R867 VanDerWaalsContact O-CG 3.28Å; K863-R867 WeakPolarHBondContact O-CG 3.47Å; K863-R867 PolarHBondContact O-N 2.86Å; T864-R867 PolarHBondContact O-N 2.7Å; R867-K870 PolarHBondContact O-N 2.79Å; R867-A871 PolarHBondContact O-N 2.7Å |
| 868 | Q | 91.3 | Very high | 90.8 | Very high | 112 Ų | 112 | 102.1 Ų | 102.1 | 52% | 0.523 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -41.1 | 178.5 | -173.7 | 60.5 | 40.3 | 0 | 0 | 111.6 | T864 K865 K870 A871 E872 | T864-Q868 VanDerWaalsContact O-CB 3.31Å; T864-Q868 WeakPolarHBondContact O-CB 3.31Å; T864-Q868 PolarHBondContact O-N 3.49Å; K865-Q868 PolarHBondContact O-N 2.67Å; Q868-K870 VanDerWaalsContact C-N 3.34Å; Q868-K870 PolarHBondContact O-N 3.31Å; Q868-A871 PolarHBondContact O-N 3.14Å; Q868-E872 VanDerWaalsContact O-CB 3.29Å; Q868-E872 WeakPolarHBondContact O-CB 3.41Å; Q868-E872 PolarHBondContact O-N 3.05Å |
| 869 | Q | 92.7 | Very high | 90.8 | Very high | 86 Ų | 86 | 103 Ų | 103 | 40% | 0.402 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.1 | -37.1 | 177.2 | -170.1 | 65.9 | 74.5 | 0 | 0 | 112.1 | K865 E872 N873 | K865-Q869 WeakPolarHBondContact O-CB 3.14Å; K865-Q869 PolarHBondContact O-N 3.13Å; Q869-E872 PolarHBondContact O-N 3.02Å; Q869-N873 PolarHBondContact NE2-OD1 3.22Å; Q869-N873 VanDerWaalsContact NE2-OD1 3.1Å; Q869-N873 WeakPolarHBondContact O-CB 3.14Å; Q869-N873 PolarHBondContact O-N 3.16Å; Q869-N873 PolarHBondContact O-OD1 3.25Å; Q869-N873 VanDerWaalsContact O-OD1 3.07Å |
| 870 | K | 89.4 | Confident | 91 | Very high | 114 Ų | 114 | 105.4 Ų | 105.4 | 50% | 0.496 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.7 | -49.9 | 173.9 | -73.8 | 165.4 | -176.1 | 161 | 0 | 111 | E866 R867 Q868 E872 N873 E874 | E866-K870 WeakPolarHBondContact O-CD 3.31Å; E866-K870 WeakPolarHBondContact O-CG 2.93Å; E866-K870 PolarHBondContact O-N 3.38Å; R867-K870 PolarHBondContact O-N 2.79Å; Q868-K870 VanDerWaalsContact C-N 3.34Å; Q868-K870 PolarHBondContact O-N 3.31Å; K870-E872 VanDerWaalsContact C-N 3.29Å; K870-E872 PolarHBondContact O-N 3.15Å; K870-N873 PolarHBondContact O-N 2.86Å; K870-N873 VanDerWaalsContact O-N 3.15Å; K870-E874 WeakPolarHBondContact O-CB 3.31Å; K870-E874 VanDerWaalsContact O-CG 3.28Å; K870-E874 WeakPolarHBondContact O-CG 3.02Å; K870-E874 PolarHBondContact O-N 3.22Å |
| 871 | A | 89.9 | Confident | 90.9 | Very high | 34 Ų | 34 | 106.1 Ų | 106.1 | 28% | 0.281 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.7 | -35.5 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | R867 Q868 L875 | R867-A871 PolarHBondContact O-N 2.7Å; Q868-A871 PolarHBondContact O-N 3.14Å; A871-L875 VanDerWaalsContact O-CB 3.27Å; A871-L875 WeakPolarHBondContact O-CB 3.37Å; A871-L875 WeakPolarHBondContact O-CD1 3.29Å; A871-L875 WeakPolarHBondContact O-CG 3.42Å; A871-L875 PolarHBondContact O-N 2.8Å |
| 872 | E | 92.6 | Very high | 90.8 | Very high | 74 Ų | 74 | 106.5 Ų | 106.5 | 35% | 0.346 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -70.2 | -36.2 | 176.2 | -169.1 | -171.8 | 138.2 | 0 | 0 | 112.1 | Q868 Q869 K870 K876 | Q868-E872 VanDerWaalsContact O-CB 3.29Å; Q868-E872 WeakPolarHBondContact O-CB 3.41Å; Q868-E872 PolarHBondContact O-N 3.05Å; Q869-E872 PolarHBondContact O-N 3.02Å; K870-E872 VanDerWaalsContact C-N 3.29Å; K870-E872 PolarHBondContact O-N 3.15Å; E872-K876 VanDerWaalsContact O-CG 3.31Å; E872-K876 WeakPolarHBondContact O-CG 3.25Å; E872-K876 PolarHBondContact O-N 3.16Å; E872-K876 VanDerWaalsContact O-N 3.07Å; E872-K876 WeakPolarHBondContact OE1-CE 3.21Å; E872-K876 IonicContact OE1-NZ 3.62Å; E872-K876 PolarHBondContact OE1-NZ 3.08Å |
| 873 | N | 91.8 | Very high | 90.8 | Very high | 73 Ų | 73 | 105 Ų | 105 | 39% | 0.39 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -47.9 | 173.4 | -68.1 | 9.9 | 0 | 0 | 0 | 110.8 | Q869 K870 L875 K876 E877 | Q869-N873 PolarHBondContact NE2-OD1 3.22Å; Q869-N873 VanDerWaalsContact NE2-OD1 3.1Å; Q869-N873 WeakPolarHBondContact O-CB 3.14Å; Q869-N873 PolarHBondContact O-N 3.16Å; Q869-N873 PolarHBondContact O-OD1 3.25Å; Q869-N873 VanDerWaalsContact O-OD1 3.07Å; K870-N873 PolarHBondContact O-N 2.86Å; K870-N873 VanDerWaalsContact O-N 3.15Å; N873-L875 VanDerWaalsContact C-N 3.27Å; N873-L875 PolarHBondContact O-N 2.83Å; N873-K876 PolarHBondContact O-N 3.04Å; N873-E877 WeakPolarHBondContact O-CG 3.43Å; N873-E877 PolarHBondContact O-N 3.3Å |
| 874 | E | 89.5 | Confident | 90.8 | Very high | 111 Ų | 111 | 105.2 Ų | 105.2 | 52% | 0.519 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -56.3 | -39.9 | 174.5 | -70.5 | 162.2 | -157.7 | 0 | 0 | 111.5 | K870 E877 L878 | K870-E874 WeakPolarHBondContact O-CB 3.31Å; K870-E874 VanDerWaalsContact O-CG 3.28Å; K870-E874 WeakPolarHBondContact O-CG 3.02Å; K870-E874 PolarHBondContact O-N 3.22Å; E874-E877 PolarHBondContact O-N 2.83Å; E874-L878 WeakPolarHBondContact O-CB 3.19Å; E874-L878 VanDerWaalsContact O-CG 3.28Å; E874-L878 WeakPolarHBondContact O-CG 2.9Å; E874-L878 PolarHBondContact O-N 2.79Å |
| 875 | L | 89.8 | Confident | 90.6 | Very high | 109 Ų | 109 | 106.2 Ų | 106.2 | 57% | 0.571 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -67.9 | -36.6 | 174.7 | -77.5 | 168.1 | 0 | 0 | 0 | 113.1 | A871 N873 L878 E879 | A871-L875 VanDerWaalsContact O-CB 3.27Å; A871-L875 WeakPolarHBondContact O-CB 3.37Å; A871-L875 WeakPolarHBondContact O-CD1 3.29Å; A871-L875 WeakPolarHBondContact O-CG 3.42Å; A871-L875 PolarHBondContact O-N 2.8Å; N873-L875 VanDerWaalsContact C-N 3.27Å; N873-L875 PolarHBondContact O-N 2.83Å; L875-L878 PolarHBondContact O-N 3.28Å; L875-E879 WeakPolarHBondContact O-CB 3.27Å; L875-E879 PolarHBondContact O-N 2.87Å |
| 876 | K | 93.3 | Very high | 90.6 | Very high | 90 Ų | 90 | 102.2 Ų | 102.2 | 39% | 0.391 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -70.5 | -36.3 | 175 | -74.3 | 167.8 | -172.1 | 167 | 0 | 112.3 | E872 N873 L878 E879 Q880 | E872-K876 VanDerWaalsContact O-CG 3.31Å; E872-K876 WeakPolarHBondContact O-CG 3.25Å; E872-K876 PolarHBondContact O-N 3.16Å; E872-K876 VanDerWaalsContact O-N 3.07Å; E872-K876 WeakPolarHBondContact OE1-CE 3.21Å; E872-K876 IonicContact OE1-NZ 3.62Å; E872-K876 PolarHBondContact OE1-NZ 3.08Å; N873-K876 PolarHBondContact O-N 3.04Å; K876-L878 VanDerWaalsContact C-N 3.34Å; K876-E879 PolarHBondContact O-N 2.93Å; K876-Q880 WeakPolarHBondContact O-CB 3.35Å; K876-Q880 WeakPolarHBondContact O-CG 3.31Å; K876-Q880 PolarHBondContact O-N 2.81Å |
| 877 | E | 90.3 | Very high | 90.7 | Very high | 123 Ų | 123 | 103.3 Ų | 103.3 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -64.2 | -40.9 | 172.5 | -71.1 | 164.9 | -159.7 | 0 | 0 | 110.7 | N873 E874 Q880 K881 | N873-E877 WeakPolarHBondContact O-CG 3.43Å; N873-E877 PolarHBondContact O-N 3.3Å; E874-E877 PolarHBondContact O-N 2.83Å; E877-Q880 PolarHBondContact O-N 2.66Å; E877-K881 WeakPolarHBondContact O-CB 3.09Å; E877-K881 PolarHBondContact O-N 3.34Å |
| 878 | L | 88.5 | Confident | 90.6 | Very high | 111 Ų | 111 | 98.8 Ų | 98.8 | 58% | 0.581 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -66.6 | -36.5 | 172 | -72.1 | 169.3 | 0 | 0 | 0 | 113.2 | E874 L875 K876 K881 H882 | E874-L878 WeakPolarHBondContact O-CB 3.19Å; E874-L878 VanDerWaalsContact O-CG 3.28Å; E874-L878 WeakPolarHBondContact O-CG 2.9Å; E874-L878 PolarHBondContact O-N 2.79Å; L875-L878 PolarHBondContact O-N 3.28Å; K876-L878 VanDerWaalsContact C-N 3.34Å; L878-K881 PolarHBondContact O-N 3.23Å; L878-H882 WeakPolarHBondContact O-CB 3.47Å; L878-H882 PolarHBondContact O-N 2.64Å |
| 879 | E | 91.4 | Very high | 90.5 | Very high | 140 Ų | 140 | 99.6 Ų | 99.6 | 65% | 0.654 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.8 | -41.6 | 175.4 | -173.5 | 171.3 | -150.8 | 0 | 0 | 111.6 | L875 K876 H882 S883 | L875-E879 WeakPolarHBondContact O-CB 3.27Å; L875-E879 PolarHBondContact O-N 2.87Å; K876-E879 PolarHBondContact O-N 2.93Å; E879-H882 WeakPolarHBondContact O-CA 3.11Å; E879-H882 WeakPolarHBondContact O-CB 2.93Å; E879-H882 PolarHBondContact O-N 2.92Å; E879-H882 VanDerWaalsContact O-N 3.13Å; E879-S883 PolarHBondContact O-N 3.22Å |
| 880 | Q | 92.8 | Very high | 90.4 | Very high | 125 Ų | 125 | 99 Ų | 99 | 58% | 0.584 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 171.4 | -73.1 | 175.7 | 8.9 | 0 | 0 | 111.6 | K876 E877 H882 S883 Q884 | K876-Q880 WeakPolarHBondContact O-CB 3.35Å; K876-Q880 WeakPolarHBondContact O-CG 3.31Å; K876-Q880 PolarHBondContact O-N 2.81Å; E877-Q880 PolarHBondContact O-N 2.66Å; Q880-H882 PolarHBondContact O-N 3.46Å; Q880-S883 WeakPolarHBondContact O-CB 2.8Å; Q880-S883 PolarHBondContact O-N 2.68Å; Q880-S883 VanDerWaalsContact O-N 3.13Å; Q880-Q884 WeakPolarHBondContact O-CG 2.99Å; Q880-Q884 PolarHBondContact O-N 3.25Å |
| 881 | K | 88.8 | Confident | 90.5 | Very high | 116 Ų | 116 | 97.9 Ų | 97.9 | 50% | 0.504 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -30.3 | 173.6 | -166 | 165.3 | -174.2 | 167.8 | 0 | 112 | E877 L878 L885 | E877-K881 WeakPolarHBondContact O-CB 3.09Å; E877-K881 PolarHBondContact O-N 3.34Å; L878-K881 PolarHBondContact O-N 3.23Å; K881-L885 WeakPolarHBondContact O-CB 2.97Å; K881-L885 VanDerWaalsContact O-CG 3.25Å; K881-L885 WeakPolarHBondContact O-CG 2.93Å; K881-L885 PolarHBondContact O-N 2.97Å |
| 882 | H | 88.7 | Confident | 90.3 | Very high | 126 Ų | 126 | 101.6 Ų | 101.6 | 58% | 0.583 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -73 | -34.5 | 172.8 | -167.2 | 59.6 | 0 | 0 | 0 | 113.2 | L878 E879 Q880 T886 | L878-H882 WeakPolarHBondContact O-CB 3.47Å; L878-H882 PolarHBondContact O-N 2.64Å; E879-H882 WeakPolarHBondContact O-CA 3.11Å; E879-H882 WeakPolarHBondContact O-CB 2.93Å; E879-H882 PolarHBondContact O-N 2.92Å; E879-H882 VanDerWaalsContact O-N 3.13Å; Q880-H882 PolarHBondContact O-N 3.46Å; H882-T886 WeakPolarHBondContact O-CB 2.93Å; H882-T886 PolarHBondContact O-N 2.78Å; H882-T886 PolarHBondContact O-OG1 2.69Å |
| 883 | S | 92.6 | Very high | 90 | Very high | 59 Ų | 59 | 103 Ų | 103 | 41% | 0.413 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -50.3 | 169 | -165 | 0 | 0 | 0 | 0 | 110.8 | E879 Q880 L885 T886 E887 | E879-S883 PolarHBondContact O-N 3.22Å; Q880-S883 WeakPolarHBondContact O-CB 2.8Å; Q880-S883 PolarHBondContact O-N 2.68Å; Q880-S883 VanDerWaalsContact O-N 3.13Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.32Å; S883-T886 CarbonylContact O-C 3.25Å; S883-T886 VanDerWaalsContact O-CA 3.32Å; S883-T886 WeakPolarHBondContact O-CA 2.79Å; S883-T886 VanDerWaalsContact O-CB 3.29Å; S883-T886 WeakPolarHBondContact O-CB 3.26Å; S883-T886 PolarHBondContact O-N 2.72Å; S883-E887 WeakPolarHBondContact O-CG 3.28Å; S883-E887 PolarHBondContact O-N 3.16Å; S883-E887 PolarHBondContact OG-OE1 2.97Å |
| 884 | Q | 90.8 | Very high | 90 | Very high | 116 Ų | 116 | 105.1 Ų | 105.1 | 54% | 0.542 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -57.5 | -42 | 177.6 | -69.5 | 169.3 | -7.9 | 0 | 0 | 112.5 | Q880 T886 E887 E888 | Q880-Q884 WeakPolarHBondContact O-CG 2.99Å; Q880-Q884 PolarHBondContact O-N 3.25Å; Q884-T886 VanDerWaalsContact C-N 3.27Å; Q884-T886 PolarHBondContact O-N 2.9Å; Q884-E887 PolarHBondContact O-N 3.25Å; Q884-E888 PolarHBondContact O-N 3.22Å |
| 885 | L | 87 | Confident | 89.8 | Confident | 94 Ų | 94 | 104.8 Ų | 104.8 | 49% | 0.492 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.1 | -25.4 | 173.6 | -73 | 168.8 | 0 | 0 | 0 | 113.2 | K881 S883 K889 | K881-L885 WeakPolarHBondContact O-CB 2.97Å; K881-L885 VanDerWaalsContact O-CG 3.25Å; K881-L885 WeakPolarHBondContact O-CG 2.93Å; K881-L885 PolarHBondContact O-N 2.97Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.32Å; L885-K889 VanDerWaalsContact O-CB 3.25Å; L885-K889 WeakPolarHBondContact O-CB 3.31Å; L885-K889 PolarHBondContact O-N 2.87Å; L885-K889 VanDerWaalsContact O-N 3.12Å |
| 886 | T | 91.1 | Very high | 89.5 | Confident | 54 Ų | 54 | 104.5 Ų | 104.5 | 33% | 0.331 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -77.4 | -34.4 | 172.6 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | H882 S883 Q884 K889 N890 | H882-T886 WeakPolarHBondContact O-CB 2.93Å; H882-T886 PolarHBondContact O-N 2.78Å; H882-T886 PolarHBondContact O-OG1 2.69Å; S883-T886 CarbonylContact O-C 3.25Å; S883-T886 VanDerWaalsContact O-CA 3.32Å; S883-T886 WeakPolarHBondContact O-CA 2.79Å; S883-T886 VanDerWaalsContact O-CB 3.29Å; S883-T886 WeakPolarHBondContact O-CB 3.26Å; S883-T886 PolarHBondContact O-N 2.72Å; Q884-T886 VanDerWaalsContact C-N 3.27Å; Q884-T886 PolarHBondContact O-N 2.9Å; T886-K889 PolarHBondContact O-N 3.12Å; T886-N890 PolarHBondContact O-N 2.84Å; T886-N890 PolarHBondContact O-ND2 2.8Å; T886-N890 PolarHBondContact O-OD1 3.44Å |
| 887 | E | 91.6 | Very high | 89.2 | Confident | 109 Ų | 109 | 105.5 Ų | 105.5 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.7 | -46.7 | 172.4 | -68.4 | 154.2 | -132.1 | 0 | 0 | 111.3 | S883 Q884 K889 N890 L891 | S883-E887 WeakPolarHBondContact O-CG 3.28Å; S883-E887 PolarHBondContact O-N 3.16Å; S883-E887 PolarHBondContact OG-OE1 2.97Å; Q884-E887 PolarHBondContact O-N 3.25Å; E887-K889 VanDerWaalsContact C-N 3.26Å; E887-K889 PolarHBondContact O-N 3Å; E887-N890 PolarHBondContact O-N 2.62Å; E887-N890 VanDerWaalsContact O-N 3.14Å; E887-L891 PolarHBondContact O-N 2.81Å |
| 888 | E | 88 | Confident | 89.2 | Confident | 98 Ų | 98 | 101.8 Ų | 101.8 | 46% | 0.458 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -55.9 | -40.8 | 170.3 | -78.1 | -162.8 | 150.8 | 0 | 0 | 111.3 | Q884 L892 K1610 | Q884-E888 PolarHBondContact O-N 3.22Å; E888-L892 WeakPolarHBondContact O-CB 3.35Å; E888-L892 PolarHBondContact O-N 2.84Å; E888-K1610 IonicContact OE1-NZ 2.67Å; E888-K1610 PolarHBondContact OE1-NZ 2.86Å; E888-K1610 IonicContact OE2-NZ 3.19Å |
| 889 | K | 89.5 | Confident | 88.9 | Confident | 129 Ų | 129 | 101.4 Ų | 101.4 | 56% | 0.561 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.8 | -38.6 | 176.9 | -179.6 | -163.2 | 168.5 | -155.3 | 0 | 112.6 | L885 T886 E887 L892 Q893 | L885-K889 VanDerWaalsContact O-CB 3.25Å; L885-K889 WeakPolarHBondContact O-CB 3.31Å; L885-K889 PolarHBondContact O-N 2.87Å; L885-K889 VanDerWaalsContact O-N 3.12Å; T886-K889 PolarHBondContact O-N 3.12Å; E887-K889 VanDerWaalsContact C-N 3.26Å; E887-K889 PolarHBondContact O-N 3Å; K889-L892 PolarHBondContact O-N 3.17Å; K889-Q893 PolarHBondContact O-N 2.78Å |
| 890 | N | 91.9 | Very high | 88.6 | Confident | 75 Ų | 75 | 98.7 Ų | 98.7 | 40% | 0.401 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.9 | -43.9 | 177.4 | -69.6 | -16.8 | 0 | 0 | 0 | 110.6 | T886 E887 L892 Q893 E894 | T886-N890 PolarHBondContact O-N 2.84Å; T886-N890 PolarHBondContact O-ND2 2.8Å; T886-N890 PolarHBondContact O-OD1 3.44Å; E887-N890 PolarHBondContact O-N 2.62Å; E887-N890 VanDerWaalsContact O-N 3.14Å; N890-L892 VanDerWaalsContact C-N 3.29Å; N890-L892 PolarHBondContact O-N 3.38Å; N890-Q893 CarbonylContact O-C 3.5Å; N890-Q893 WeakPolarHBondContact O-CA 3.38Å; N890-Q893 WeakPolarHBondContact O-CB 3.03Å; N890-Q893 PolarHBondContact O-N 3.47Å; N890-E894 PolarHBondContact O-N 2.77Å |
| 891 | L | 90.7 | Very high | 88.4 | Confident | 90 Ų | 90 | 99.1 Ų | 99.1 | 47% | 0.471 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.3 | -39.6 | 172.8 | -178.1 | 65.6 | 0 | 0 | 0 | 111.9 | E887 Q893 E894 Q895 | E887-L891 PolarHBondContact O-N 2.81Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 2.84Å; L891-E894 PolarHBondContact O-N 2.8Å; L891-Q895 WeakPolarHBondContact O-CB 2.88Å; L891-Q895 WeakPolarHBondContact O-CG 3.39Å; L891-Q895 PolarHBondContact O-N 2.73Å |
| 892 | L | 85.5 | Confident | 88.3 | Confident | 112 Ų | 112 | 98.7 Ų | 98.7 | 59% | 0.586 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.9 | -30.3 | 173.4 | -174.8 | 64.8 | 0 | 0 | 0 | 112.5 | E888 K889 N890 L896 | E888-L892 WeakPolarHBondContact O-CB 3.35Å; E888-L892 PolarHBondContact O-N 2.84Å; K889-L892 PolarHBondContact O-N 3.17Å; N890-L892 VanDerWaalsContact C-N 3.29Å; N890-L892 PolarHBondContact O-N 3.38Å; L892-L896 VanDerWaalsContact O-CB 3.31Å; L892-L896 WeakPolarHBondContact O-CB 2.92Å; L892-L896 PolarHBondContact O-N 2.81Å |
| 893 | Q | 87.3 | Confident | 88 | Confident | 103 Ų | 103 | 99.2 Ų | 99.2 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -73.6 | -37 | 174.6 | -171.3 | 178 | -53.7 | 0 | 0 | 112 | K889 N890 L891 L896 Q897 | K889-Q893 PolarHBondContact O-N 2.78Å; N890-Q893 CarbonylContact O-C 3.5Å; N890-Q893 WeakPolarHBondContact O-CA 3.38Å; N890-Q893 WeakPolarHBondContact O-CB 3.03Å; N890-Q893 PolarHBondContact O-N 3.47Å; L891-Q893 VanDerWaalsContact C-N 3.29Å; L891-Q893 PolarHBondContact O-N 2.84Å; Q893-L896 PolarHBondContact O-N 3.17Å; Q893-Q897 WeakPolarHBondContact O-CG 3.31Å; Q893-Q897 PolarHBondContact O-N 3.5Å |
| 894 | E | 90.1 | Very high | 87.6 | Confident | 117 Ų | 117 | 99.3 Ų | 99.3 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -44.6 | 171.2 | -68.7 | 169.7 | -177.9 | 0 | 0 | 111 | N890 L891 L896 Q897 A898 | N890-E894 PolarHBondContact O-N 2.77Å; L891-E894 PolarHBondContact O-N 2.8Å; E894-L896 VanDerWaalsContact C-N 3.32Å; E894-L896 PolarHBondContact O-N 3.41Å; E894-Q897 WeakPolarHBondContact O-CB 3.29Å; E894-Q897 PolarHBondContact O-N 3.45Å; E894-Q897 VanDerWaalsContact O-N 3.13Å; E894-A898 PolarHBondContact O-N 2.92Å |
| 895 | Q | 86.3 | Confident | 87.4 | Confident | 104 Ų | 104 | 99.7 Ų | 99.7 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 172.7 | -72.8 | 173.8 | 5.5 | 0 | 0 | 112.1 | L891 Q897 A898 E899 | L891-Q895 WeakPolarHBondContact O-CB 2.88Å; L891-Q895 WeakPolarHBondContact O-CG 3.39Å; L891-Q895 PolarHBondContact O-N 2.73Å; Q895-Q897 VanDerWaalsContact C-N 3.32Å; Q895-Q897 PolarHBondContact O-N 2.88Å; Q895-A898 PolarHBondContact O-N 3.31Å; Q895-E899 WeakPolarHBondContact O-CB 3.09Å; Q895-E899 PolarHBondContact O-N 2.79Å |
| 896 | L | 82.8 | Confident | 87.2 | Confident | 104 Ų | 104 | 96.8 Ų | 96.8 | 55% | 0.545 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.4 | -31.9 | 175.3 | -178.6 | 62.8 | 0 | 0 | 0 | 112.7 | L892 Q893 E894 T900 | L892-L896 VanDerWaalsContact O-CB 3.31Å; L892-L896 WeakPolarHBondContact O-CB 2.92Å; L892-L896 PolarHBondContact O-N 2.81Å; Q893-L896 PolarHBondContact O-N 3.17Å; E894-L896 VanDerWaalsContact C-N 3.32Å; E894-L896 PolarHBondContact O-N 3.41Å; L896-T900 WeakPolarHBondContact O-CB 2.84Å; L896-T900 PolarHBondContact O-N 3.33Å; L896-T900 PolarHBondContact O-OG1 2.69Å |
| 897 | Q | 88.6 | Confident | 86.7 | Confident | 110 Ų | 110 | 96.7 Ų | 96.7 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -68.8 | -49.7 | 172.8 | -74.7 | 173.6 | -18.2 | 0 | 0 | 110.7 | Q893 E894 Q895 E899 T900 E901 | Q893-Q897 WeakPolarHBondContact O-CG 3.31Å; Q893-Q897 PolarHBondContact O-N 3.5Å; E894-Q897 WeakPolarHBondContact O-CB 3.29Å; E894-Q897 PolarHBondContact O-N 3.45Å; E894-Q897 VanDerWaalsContact O-N 3.13Å; Q895-Q897 VanDerWaalsContact C-N 3.32Å; Q895-Q897 PolarHBondContact O-N 2.88Å; Q897-E899 PolarHBondContact O-N 2.94Å; Q897-T900 WeakPolarHBondContact O-CA 3.38Å; Q897-T900 WeakPolarHBondContact O-CB 2.87Å; Q897-T900 PolarHBondContact O-N 3.13Å; Q897-E901 PolarHBondContact O-N 3.49Å |
| 898 | A | 89.4 | Confident | 86.3 | Confident | 46 Ų | 46 | 96.4 Ų | 96.4 | 38% | 0.38 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | E894 Q895 T900 E901 L902 | E894-A898 PolarHBondContact O-N 2.92Å; Q895-A898 PolarHBondContact O-N 3.31Å; A898-T900 VanDerWaalsContact C-N 3.32Å; A898-T900 PolarHBondContact O-N 2.86Å; A898-E901 PolarHBondContact O-N 3.41Å; A898-L902 WeakPolarHBondContact O-CB 3.48Å; A898-L902 VanDerWaalsContact O-CG 3.3Å; A898-L902 WeakPolarHBondContact O-CG 3Å; A898-L902 PolarHBondContact O-N 3.07Å |
| 899 | E | 82.6 | Confident | 86.2 | Confident | 103 Ų | 103 | 96.7 Ų | 96.7 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -59.9 | -41.5 | 170.6 | -83.3 | -164.9 | -164.9 | 0 | 0 | 111.6 | Q895 Q897 E901 L902 Y903 | Q895-E899 WeakPolarHBondContact O-CB 3.09Å; Q895-E899 PolarHBondContact O-N 2.79Å; Q897-E899 PolarHBondContact O-N 2.94Å; E899-E901 VanDerWaalsContact C-N 3.35Å; E899-E901 PolarHBondContact O-N 2.81Å; E899-L902 PolarHBondContact O-N 2.67Å; E899-Y903 HydrophobicContact CB-CD2 4.38Å; E899-Y903 HydrophobicContact CB-CE2 4.32Å; E899-Y903 WeakPolarHBondContact O-CB 3.21Å; E899-Y903 WeakPolarHBondContact O-CD2 3.38Å; E899-Y903 PolarHBondContact O-N 2.84Å |
| 900 | T | 85.5 | Confident | 85.8 | Confident | 82 Ų | 82 | 94.1 Ų | 94.1 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.5 | -37.7 | 179.9 | -61 | 0 | 0 | 0 | 0 | 111.9 | L896 Q897 A898 Y903 A904 | L896-T900 WeakPolarHBondContact O-CB 2.84Å; L896-T900 PolarHBondContact O-N 3.33Å; L896-T900 PolarHBondContact O-OG1 2.69Å; Q897-T900 WeakPolarHBondContact O-CA 3.38Å; Q897-T900 WeakPolarHBondContact O-CB 2.87Å; Q897-T900 PolarHBondContact O-N 3.13Å; A898-T900 VanDerWaalsContact C-N 3.32Å; A898-T900 PolarHBondContact O-N 2.86Å; T900-Y903 PolarHBondContact O-N 2.65Å; T900-A904 PolarHBondContact O-N 3.38Å |
| 901 | E | 88.5 | Confident | 85.4 | Confident | 134 Ų | 134 | 93.8 Ų | 93.8 | 63% | 0.626 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.6 | -47.5 | 173.8 | -70.1 | 171.7 | 175.1 | 0 | 0 | 111 | Q897 A898 E899 Y903 A904 E905 | Q897-E901 PolarHBondContact O-N 3.49Å; A898-E901 PolarHBondContact O-N 3.41Å; E899-E901 VanDerWaalsContact C-N 3.35Å; E899-E901 PolarHBondContact O-N 2.81Å; E901-Y903 VanDerWaalsContact C-N 3.29Å; E901-Y903 PolarHBondContact O-N 2.73Å; E901-A904 WeakPolarHBondContact O-CA 3.29Å; E901-A904 WeakPolarHBondContact O-CB 3.41Å; E901-A904 PolarHBondContact O-N 2.78Å; E901-E905 PolarHBondContact O-N 2.67Å |
| 902 | L | 86.7 | Confident | 85.3 | Confident | 108 Ų | 108 | 95.6 Ų | 95.6 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -61.2 | -34.1 | 173.4 | -69.5 | 169.1 | 0 | 0 | 0 | 112.8 | A898 E899 A904 A906 | A898-L902 WeakPolarHBondContact O-CB 3.48Å; A898-L902 VanDerWaalsContact O-CG 3.3Å; A898-L902 WeakPolarHBondContact O-CG 3Å; A898-L902 PolarHBondContact O-N 3.07Å; E899-L902 PolarHBondContact O-N 2.67Å; L902-A904 VanDerWaalsContact C-N 3.35Å; L902-A906 WeakPolarHBondContact O-CB 3.48Å; L902-A906 PolarHBondContact O-N 3.35Å |
| 903 | Y | 81.1 | Confident | 85.2 | Confident | 136 Ų | 136 | 95.4 Ų | 95.4 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -66.5 | -35.2 | 171.5 | -85.2 | -62.3 | 0 | 0 | 0 | 112.1 | E899 T900 E901 E907 | E899-Y903 HydrophobicContact CB-CD2 4.38Å; E899-Y903 HydrophobicContact CB-CE2 4.32Å; E899-Y903 WeakPolarHBondContact O-CB 3.21Å; E899-Y903 WeakPolarHBondContact O-CD2 3.38Å; E899-Y903 PolarHBondContact O-N 2.84Å; T900-Y903 PolarHBondContact O-N 2.65Å; E901-Y903 VanDerWaalsContact C-N 3.29Å; E901-Y903 PolarHBondContact O-N 2.73Å; Y903-E907 WeakPolarHBondContact O-CB 3.33Å; Y903-E907 PolarHBondContact O-N 3.42Å |
| 904 | A | 84.5 | Confident | 85 | Confident | 62 Ų | 62 | 93 Ų | 93 | 51% | 0.512 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.9 | -46.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.3 | T900 E901 L902 A906 E907 E908 | T900-A904 PolarHBondContact O-N 3.38Å; E901-A904 WeakPolarHBondContact O-CA 3.29Å; E901-A904 WeakPolarHBondContact O-CB 3.41Å; E901-A904 PolarHBondContact O-N 2.78Å; L902-A904 VanDerWaalsContact C-N 3.35Å; A904-A906 VanDerWaalsContact C-N 3.33Å; A904-A906 PolarHBondContact O-N 3.31Å; A904-E907 PolarHBondContact O-N 3.47Å; A904-E908 WeakPolarHBondContact O-CB 3.28Å; A904-E908 PolarHBondContact O-N 2.67Å |
| 905 | E | 87.2 | Confident | 84.9 | Confident | 123 Ų | 123 | 89.4 Ų | 89.4 | 58% | 0.575 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -58.8 | -42.8 | 173.2 | -67.9 | -172.9 | 165.9 | 0 | 0 | 112 | E901 E908 M909 | E901-E905 PolarHBondContact O-N 2.67Å; E905-E908 PolarHBondContact O-N 2.85Å; E905-M909 WeakPolarHBondContact O-CB 3.38Å; E905-M909 PolarHBondContact O-N 3.31Å |
| 906 | A | 82 | Confident | 84.9 | Confident | 33 Ų | 33 | 90.5 Ų | 90.5 | 27% | 0.273 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -68.7 | -37.9 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L902 A904 R910 | L902-A906 WeakPolarHBondContact O-CB 3.48Å; L902-A906 PolarHBondContact O-N 3.35Å; A904-A906 VanDerWaalsContact C-N 3.33Å; A904-A906 PolarHBondContact O-N 3.31Å; A906-R910 WeakPolarHBondContact O-CB 3.3Å; A906-R910 WeakPolarHBondContact O-CD 2.94Å; A906-R910 WeakPolarHBondContact O-CG 3.05Å; A906-R910 PolarHBondContact O-N 3Å |
| 907 | E | 80.2 | Confident | 85.1 | Confident | 52 Ų | 52 | 89 Ų | 89 | 24% | 0.243 | 46% | 0.457 | C | S | . | . | H | α-helix | trans | -68.2 | -40.3 | 173.1 | -177.8 | 69.6 | -177.5 | 0 | 0 | 111 | Y903 A904 R910 V911 | Y903-E907 WeakPolarHBondContact O-CB 3.33Å; Y903-E907 PolarHBondContact O-N 3.42Å; A904-E907 PolarHBondContact O-N 3.47Å; E907-R910 PolarHBondContact O-N 2.87Å; E907-V911 WeakPolarHBondContact O-CG2 3.25Å; E907-V911 PolarHBondContact O-N 3.33Å |
| 908 | E | 85.2 | Confident | 85 | Confident | 103 Ų | 103 | 90.3 Ų | 90.3 | 48% | 0.481 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -64.2 | -42.2 | 175.4 | -155.8 | -130.5 | 130.5 | 0 | 0 | 111.3 | A904 E905 V911 R912 | A904-E908 WeakPolarHBondContact O-CB 3.28Å; A904-E908 PolarHBondContact O-N 2.67Å; E905-E908 PolarHBondContact O-N 2.85Å; E908-V911 PolarHBondContact O-N 2.9Å; E908-R912 WeakPolarHBondContact O-CG 3.22Å; E908-R912 PolarHBondContact O-N 3.13Å; E908-R912 IonicContact OE1-CZ 2.73Å; E908-R912 VanDerWaalsContact OE1-CZ 3.22Å; E908-R912 IonicContact OE1-NE 3.51Å; E908-R912 PolarHBondContact OE1-NE 2.88Å; E908-R912 IonicContact OE1-NH2 2.77Å; E908-R912 PolarHBondContact OE1-NH2 2.99Å; E908-R912 IonicContact OE2-CZ 3.72Å; E908-R912 IonicContact OE2-NH2 3.58Å; E908-R912 PolarHBondContact OE2-NH2 2.7Å |
| 909 | M | 84.8 | Confident | 85 | Confident | 104 Ų | 104 | 93.3 Ų | 93.3 | 51% | 0.512 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.9 | -40.7 | 172.3 | -171 | -174.9 | -64.1 | 0 | 0 | 111.9 | E905 R912 L913 | E905-M909 WeakPolarHBondContact O-CB 3.38Å; E905-M909 PolarHBondContact O-N 3.31Å; M909-R912 PolarHBondContact O-N 3.25Å; M909-L913 HydrophobicContact CG-CD1 4.22Å; M909-L913 WeakPolarHBondContact O-CB 3.48Å; M909-L913 VanDerWaalsContact O-CG 3.31Å; M909-L913 WeakPolarHBondContact O-CG 3.26Å; M909-L913 PolarHBondContact O-N 2.96Å |
| 910 | R | 80.4 | Confident | 85.1 | Confident | 75 Ų | 75 | 93.3 Ų | 93.3 | 28% | 0.283 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.6 | -40.4 | 174.8 | -74.8 | 164.1 | -166.1 | -172.4 | 4.4 | 111.8 | A642 A906 E907 L913 A914 | A642-R910 HydrophobicContact CB-CB 3.84Å; A642-R910 HydrophobicContact CB-CG 4.28Å; A642-R910 PolarHBondContact O-NH1 2.82Å; A906-R910 WeakPolarHBondContact O-CB 3.3Å; A906-R910 WeakPolarHBondContact O-CD 2.94Å; A906-R910 WeakPolarHBondContact O-CG 3.05Å; A906-R910 PolarHBondContact O-N 3Å; E907-R910 PolarHBondContact O-N 2.87Å; R910-L913 PolarHBondContact O-N 3.47Å; R910-A914 WeakPolarHBondContact O-CB 3.31Å; R910-A914 PolarHBondContact O-N 2.69Å |
| 911 | V | 85.2 | Confident | 85.2 | Confident | 69 Ų | 69 | 92 Ų | 92 | 42% | 0.418 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -66.1 | -43.1 | 174.4 | 171.5 | 0 | 0 | 0 | 0 | 111 | E907 E908 L913 A914 A915 | E907-V911 WeakPolarHBondContact O-CG2 3.25Å; E907-V911 PolarHBondContact O-N 3.33Å; E908-V911 PolarHBondContact O-N 2.9Å; V911-L913 VanDerWaalsContact C-N 3.33Å; V911-L913 PolarHBondContact O-N 2.75Å; V911-A914 PolarHBondContact O-N 3.42Å; V911-A915 WeakPolarHBondContact O-CB 3.49Å; V911-A915 PolarHBondContact O-N 2.94Å |
| 912 | R | 86.6 | Confident | 85.2 | Confident | 128 Ų | 128 | 91.7 Ų | 91.7 | 48% | 0.483 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60 | -39.7 | 172.6 | -77 | -170.6 | -109.2 | 132.9 | -7.8 | 112.6 | E908 M909 K916 | E908-R912 WeakPolarHBondContact O-CG 3.22Å; E908-R912 PolarHBondContact O-N 3.13Å; E908-R912 IonicContact OE1-CZ 2.73Å; E908-R912 VanDerWaalsContact OE1-CZ 3.22Å; E908-R912 IonicContact OE1-NE 3.51Å; E908-R912 PolarHBondContact OE1-NE 2.88Å; E908-R912 IonicContact OE1-NH2 2.77Å; E908-R912 PolarHBondContact OE1-NH2 2.99Å; E908-R912 IonicContact OE2-CZ 3.72Å; E908-R912 IonicContact OE2-NH2 3.58Å; E908-R912 PolarHBondContact OE2-NH2 2.7Å; M909-R912 PolarHBondContact O-N 3.25Å; R912-K916 WeakPolarHBondContact O-CG 3.45Å; R912-K916 PolarHBondContact O-N 3Å |
| 913 | L | 83.8 | Confident | 85.3 | Confident | 107 Ų | 107 | 90.6 Ų | 90.6 | 56% | 0.56 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -72.2 | -35.7 | 176.5 | -73.6 | 172 | 0 | 0 | 0 | 112.6 | M909 R910 V911 K916 K917 | M909-L913 HydrophobicContact CG-CD1 4.22Å; M909-L913 WeakPolarHBondContact O-CB 3.48Å; M909-L913 VanDerWaalsContact O-CG 3.31Å; M909-L913 WeakPolarHBondContact O-CG 3.26Å; M909-L913 PolarHBondContact O-N 2.96Å; R910-L913 PolarHBondContact O-N 3.47Å; V911-L913 VanDerWaalsContact C-N 3.33Å; V911-L913 PolarHBondContact O-N 2.75Å; L913-K916 PolarHBondContact O-N 2.64Å; L913-K917 PolarHBondContact O-N 2.57Å |
| 914 | A | 82.9 | Confident | 85.5 | Confident | 52 Ų | 52 | 89.1 Ų | 89.1 | 43% | 0.43 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.1 | -43.9 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | R910 V911 K917 Q918 | R910-A914 WeakPolarHBondContact O-CB 3.31Å; R910-A914 PolarHBondContact O-N 2.69Å; V911-A914 PolarHBondContact O-N 3.42Å; A914-K917 PolarHBondContact O-N 2.69Å; A914-K917 VanDerWaalsContact O-N 3.17Å; A914-Q918 PolarHBondContact O-N 2.76Å |
| 915 | A | 88.1 | Confident | 85.7 | Confident | 43 Ų | 43 | 92 Ų | 92 | 36% | 0.355 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -58.8 | -49.2 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | V911 K917 Q918 E919 | V911-A915 WeakPolarHBondContact O-CB 3.49Å; V911-A915 PolarHBondContact O-N 2.94Å; A915-K917 VanDerWaalsContact C-N 3.26Å; A915-K917 PolarHBondContact O-N 2.75Å; A915-Q918 WeakPolarHBondContact O-CB 3.09Å; A915-Q918 PolarHBondContact O-N 3.34Å; A915-Q918 VanDerWaalsContact O-N 3.08Å; A915-E919 WeakPolarHBondContact O-CG 3.31Å; A915-E919 PolarHBondContact O-N 3.23Å |
| 916 | K | 87.5 | Confident | 85.6 | Confident | 126 Ų | 126 | 90.6 Ų | 90.6 | 55% | 0.548 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -60.1 | -31.2 | 174.1 | -78.1 | -173.5 | 174.1 | -170 | 0 | 114.1 | R912 L913 L920 | R912-K916 WeakPolarHBondContact O-CG 3.45Å; R912-K916 PolarHBondContact O-N 3Å; L913-K916 PolarHBondContact O-N 2.64Å; K916-L920 WeakPolarHBondContact O-CB 3.17Å; K916-L920 VanDerWaalsContact O-CG 3.24Å; K916-L920 WeakPolarHBondContact O-CG 3.38Å; K916-L920 PolarHBondContact O-N 3.48Å |
| 917 | K | 87 | Confident | 85.7 | Confident | 72 Ų | 72 | 93.6 Ų | 93.6 | 31% | 0.313 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -71.5 | -42.2 | 173.7 | -163.3 | -165.1 | 169.5 | -114.2 | 0 | 110.7 | L639 L913 A914 A915 E919 L920 E921 | L639-K917 HydrophobicContact CD1-CD 4.15Å; L639-K917 HydrophobicContact CD2-CD 3.66Å; L639-K917 HydrophobicContact CG-CD 4.32Å; L913-K917 PolarHBondContact O-N 2.57Å; A914-K917 PolarHBondContact O-N 2.69Å; A914-K917 VanDerWaalsContact O-N 3.17Å; A915-K917 VanDerWaalsContact C-N 3.26Å; A915-K917 PolarHBondContact O-N 2.75Å; K917-E919 VanDerWaalsContact C-N 3.34Å; K917-E919 PolarHBondContact O-N 2.79Å; K917-L920 CarbonylContact O-C 3.59Å; K917-L920 PolarHBondContact O-N 3.34Å; K917-L920 VanDerWaalsContact O-N 3.1Å; K917-E921 WeakPolarHBondContact CE-OE2 3.46Å; K917-E921 HydrophobicContact CG-CG 4.41Å; K917-E921 IonicContact NZ-OE1 3.35Å; K917-E921 PolarHBondContact NZ-OE1 2.65Å; K917-E921 IonicContact NZ-OE2 2.7Å; K917-E921 PolarHBondContact NZ-OE2 2.81Å; K917-E921 WeakPolarHBondContact O-CG 3.32Å; K917-E921 PolarHBondContact O-N 2.75Å |
| 918 | Q | 86.5 | Confident | 86 | Confident | 139 Ų | 139 | 96.6 Ų | 96.6 | 65% | 0.65 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -61 | -42.7 | 175.1 | -172.7 | 176 | -11.6 | 0 | 0 | 111.7 | A914 A915 L920 E921 E922 | A914-Q918 PolarHBondContact O-N 2.76Å; A915-Q918 WeakPolarHBondContact O-CB 3.09Å; A915-Q918 PolarHBondContact O-N 3.34Å; A915-Q918 VanDerWaalsContact O-N 3.08Å; Q918-L920 VanDerWaalsContact C-N 3.32Å; Q918-L920 PolarHBondContact O-N 3.34Å; Q918-E921 PolarHBondContact O-N 2.84Å; Q918-E922 WeakPolarHBondContact O-CB 3.02Å; Q918-E922 PolarHBondContact O-N 2.89Å |
| 919 | E | 88.2 | Confident | 86.1 | Confident | 108 Ų | 108 | 94 Ų | 94 | 51% | 0.505 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -57.4 | -42.6 | 170.9 | -68.9 | 166.9 | -178.4 | 0 | 0 | 111.9 | A915 K917 I923 | A915-E919 WeakPolarHBondContact O-CG 3.31Å; A915-E919 PolarHBondContact O-N 3.23Å; K917-E919 VanDerWaalsContact C-N 3.34Å; K917-E919 PolarHBondContact O-N 2.79Å; E919-I923 WeakPolarHBondContact O-CB 2.97Å; E919-I923 WeakPolarHBondContact O-CD1 3.37Å; E919-I923 VanDerWaalsContact O-CG1 3.22Å; E919-I923 WeakPolarHBondContact O-CG1 2.96Å; E919-I923 PolarHBondContact O-N 3.45Å |
| 920 | L | 85.7 | Confident | 86.1 | Confident | 104 Ų | 104 | 94.8 Ų | 94.8 | 55% | 0.545 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -71.8 | -30.7 | 177.1 | -74.2 | 169.2 | 0 | 0 | 0 | 113.3 | K916 K917 Q918 L924 | K916-L920 WeakPolarHBondContact O-CB 3.17Å; K916-L920 VanDerWaalsContact O-CG 3.24Å; K916-L920 WeakPolarHBondContact O-CG 3.38Å; K916-L920 PolarHBondContact O-N 3.48Å; K917-L920 CarbonylContact O-C 3.59Å; K917-L920 PolarHBondContact O-N 3.34Å; K917-L920 VanDerWaalsContact O-N 3.1Å; Q918-L920 VanDerWaalsContact C-N 3.32Å; Q918-L920 PolarHBondContact O-N 3.34Å; L920-L924 WeakPolarHBondContact O-CB 3.42Å; L920-L924 WeakPolarHBondContact O-CG 3.3Å; L920-L924 PolarHBondContact O-N 3.32Å |
| 921 | E | 86.9 | Confident | 86.2 | Confident | 54 Ų | 54 | 94.7 Ų | 94.7 | 25% | 0.252 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -73.2 | -38.3 | 174.8 | -74 | 177.1 | 122 | 0 | 0 | 111.1 | K917 Q918 L924 H925 | K917-E921 WeakPolarHBondContact CE-OE2 3.46Å; K917-E921 HydrophobicContact CG-CG 4.41Å; K917-E921 IonicContact NZ-OE1 3.35Å; K917-E921 PolarHBondContact NZ-OE1 2.65Å; K917-E921 IonicContact NZ-OE2 2.7Å; K917-E921 PolarHBondContact NZ-OE2 2.81Å; K917-E921 WeakPolarHBondContact O-CG 3.32Å; K917-E921 PolarHBondContact O-N 2.75Å; Q918-E921 PolarHBondContact O-N 2.84Å; E921-L924 PolarHBondContact O-N 3.06Å; E921-H925 PolarHBondContact O-CD2 3.48Å; E921-H925 VanDerWaalsContact O-CD2 3.32Å; E921-H925 PolarHBondContact O-N 2.82Å |
| 922 | E | 88.7 | Confident | 86.2 | Confident | 127 Ų | 127 | 98 Ų | 98 | 59% | 0.593 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 170.4 | -172.6 | 167.9 | -153.9 | 0 | 0 | 111.2 | Q918 L924 H925 E926 | Q918-E922 WeakPolarHBondContact O-CB 3.02Å; Q918-E922 PolarHBondContact O-N 2.89Å; E922-L924 VanDerWaalsContact C-N 3.34Å; E922-L924 PolarHBondContact O-N 3.37Å; E922-H925 PolarHBondContact O-N 2.87Å; E922-E926 PolarHBondContact O-N 3.46Å |
| 923 | I | 88.4 | Confident | 86.1 | Confident | 85 Ų | 85 | 98 Ų | 98 | 44% | 0.436 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 174 | -68.6 | 164.5 | 0 | 0 | 0 | 112 | E919 E926 M927 | E919-I923 WeakPolarHBondContact O-CB 2.97Å; E919-I923 WeakPolarHBondContact O-CD1 3.37Å; E919-I923 VanDerWaalsContact O-CG1 3.22Å; E919-I923 WeakPolarHBondContact O-CG1 2.96Å; E919-I923 PolarHBondContact O-N 3.45Å; I923-E926 PolarHBondContact O-N 2.86Å; I923-M927 WeakPolarHBondContact O-CG 2.73Å; I923-M927 PolarHBondContact O-N 3.39Å |
| 924 | L | 85.9 | Confident | 85.8 | Confident | 105 Ų | 105 | 97.8 Ų | 97.8 | 55% | 0.55 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.7 | -44.6 | 176 | -80.9 | 167.2 | 0 | 0 | 0 | 111.4 | L920 E921 E922 E926 M927 E928 | L920-L924 WeakPolarHBondContact O-CB 3.42Å; L920-L924 WeakPolarHBondContact O-CG 3.3Å; L920-L924 PolarHBondContact O-N 3.32Å; E921-L924 PolarHBondContact O-N 3.06Å; E922-L924 VanDerWaalsContact C-N 3.34Å; E922-L924 PolarHBondContact O-N 3.37Å; L924-E926 VanDerWaalsContact C-N 3.33Å; L924-E926 PolarHBondContact O-N 3.47Å; L924-M927 CarbonylContact O-C 3.49Å; L924-M927 WeakPolarHBondContact O-CA 3.28Å; L924-M927 PolarHBondContact O-N 3.15Å; L924-E928 WeakPolarHBondContact O-CG 2.9Å; L924-E928 PolarHBondContact O-N 3.38Å |
| 925 | H | 87.8 | Confident | 85.8 | Confident | 122 Ų | 122 | 100.1 Ų | 100.1 | 57% | 0.565 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -64.7 | -34.8 | 174.5 | -69.4 | -38.3 | 0 | 0 | 0 | 112.5 | E921 E922 M927 E928 A929 | E921-H925 PolarHBondContact O-CD2 3.48Å; E921-H925 VanDerWaalsContact O-CD2 3.32Å; E921-H925 PolarHBondContact O-N 2.82Å; E922-H925 PolarHBondContact O-N 2.87Å; H925-M927 VanDerWaalsContact C-N 3.3Å; H925-M927 PolarHBondContact O-N 3.23Å; H925-E928 IonicContact CE1-OE2 3.48Å; H925-E928 IonicContact CG-OE2 3.76Å; H925-E928 IonicContact ND1-OE2 3.4Å; H925-E928 PolarHBondContact ND1-OE2 3.39Å; H925-E928 PolarHBondContact O-N 2.68Å; H925-A929 WeakPolarHBondContact O-CB 3.26Å; H925-A929 PolarHBondContact O-N 2.64Å |
| 926 | E | 87 | Confident | 85.6 | Confident | 94 Ų | 94 | 102 Ų | 102 | 44% | 0.439 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -61.1 | -36.8 | 167.7 | -83 | -162.8 | -153.4 | 0 | 0 | 112.5 | E922 I923 L924 R930 | E922-E926 PolarHBondContact O-N 3.46Å; I923-E926 PolarHBondContact O-N 2.86Å; L924-E926 VanDerWaalsContact C-N 3.33Å; L924-E926 PolarHBondContact O-N 3.47Å; E926-R930 WeakPolarHBondContact O-CB 3.25Å; E926-R930 WeakPolarHBondContact O-CD 2.87Å; E926-R930 WeakPolarHBondContact O-CG 3.29Å; E926-R930 PolarHBondContact O-N 3.1Å; E926-R930 IonicContact OE2-CZ 3.11Å; E926-R930 IonicContact OE2-NE 2.95Å; E926-R930 IonicContact OE2-NH2 2.69Å; E926-R930 PolarHBondContact OE2-NH2 2.79Å |
| 927 | M | 83.5 | Confident | 85.4 | Confident | 96 Ų | 96 | 100.9 Ų | 100.9 | 47% | 0.473 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78.3 | -30.7 | 179.6 | -67.6 | -70.8 | 165 | 0 | 0 | 112.8 | I923 L924 H925 L931 | I923-M927 WeakPolarHBondContact O-CG 2.73Å; I923-M927 PolarHBondContact O-N 3.39Å; L924-M927 CarbonylContact O-C 3.49Å; L924-M927 WeakPolarHBondContact O-CA 3.28Å; L924-M927 PolarHBondContact O-N 3.15Å; H925-M927 VanDerWaalsContact C-N 3.3Å; H925-M927 PolarHBondContact O-N 3.23Å; M927-L931 WeakPolarHBondContact O-CB 3.09Å; M927-L931 PolarHBondContact O-N 2.62Å |
| 928 | E | 85.6 | Confident | 85.1 | Confident | 115 Ų | 115 | 99.1 Ų | 99.1 | 54% | 0.537 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -65 | -49 | 169 | -71.4 | 172.9 | 153.3 | 0 | 0 | 110.3 | L924 H925 R930 L931 E932 | L924-E928 WeakPolarHBondContact O-CG 2.9Å; L924-E928 PolarHBondContact O-N 3.38Å; H925-E928 IonicContact CE1-OE2 3.48Å; H925-E928 IonicContact CG-OE2 3.76Å; H925-E928 IonicContact ND1-OE2 3.4Å; H925-E928 PolarHBondContact ND1-OE2 3.39Å; H925-E928 PolarHBondContact O-N 2.68Å; E928-R930 VanDerWaalsContact C-N 3.32Å; E928-R930 PolarHBondContact O-N 2.73Å; E928-L931 WeakPolarHBondContact O-CB 3.32Å; E928-L931 PolarHBondContact O-N 2.95Å; E928-E932 PolarHBondContact O-N 2.64Å |
| 929 | A | 87.6 | Confident | 85 | Confident | 49 Ų | 49 | 98.4 Ų | 98.4 | 41% | 0.405 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -60.8 | -38.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H925 L931 E932 E933 | H925-A929 WeakPolarHBondContact O-CB 3.26Å; H925-A929 PolarHBondContact O-N 2.64Å; A929-L931 VanDerWaalsContact C-N 3.32Å; A929-L931 PolarHBondContact O-N 2.71Å; A929-E932 PolarHBondContact O-N 3.02Å; A929-E933 WeakPolarHBondContact O-CG 2.98Å; A929-E933 PolarHBondContact O-N 2.66Å |
| 930 | R | 85.4 | Confident | 84.8 | Confident | 121 Ų | 121 | 99 Ų | 99 | 46% | 0.457 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69 | -27.1 | 173.6 | -72 | 168.1 | -161.3 | -160.9 | 8.2 | 113.4 | E926 E928 E934 | E926-R930 WeakPolarHBondContact O-CB 3.25Å; E926-R930 WeakPolarHBondContact O-CD 2.87Å; E926-R930 WeakPolarHBondContact O-CG 3.29Å; E926-R930 PolarHBondContact O-N 3.1Å; E926-R930 IonicContact OE2-CZ 3.11Å; E926-R930 IonicContact OE2-NE 2.95Å; E926-R930 IonicContact OE2-NH2 2.69Å; E926-R930 PolarHBondContact OE2-NH2 2.79Å; E928-R930 VanDerWaalsContact C-N 3.32Å; E928-R930 PolarHBondContact O-N 2.73Å; R930-E934 WeakPolarHBondContact O-CB 3.25Å; R930-E934 PolarHBondContact O-N 3.36Å |
| 931 | L | 82.4 | Confident | 84.5 | Confident | 73 Ų | 73 | 98.9 Ų | 98.9 | 38% | 0.382 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -72.1 | -43.1 | 173.2 | -175 | 66.6 | 0 | 0 | 0 | 110.1 | M927 E928 A929 E934 E935 | M927-L931 WeakPolarHBondContact O-CB 3.09Å; M927-L931 PolarHBondContact O-N 2.62Å; E928-L931 WeakPolarHBondContact O-CB 3.32Å; E928-L931 PolarHBondContact O-N 2.95Å; A929-L931 VanDerWaalsContact C-N 3.32Å; A929-L931 PolarHBondContact O-N 2.71Å; L931-E934 WeakPolarHBondContact O-CB 3.07Å; L931-E934 PolarHBondContact O-N 2.78Å; L931-E935 WeakPolarHBondContact O-CG 3.04Å; L931-E935 PolarHBondContact O-N 3.19Å |
| 932 | E | 84.6 | Confident | 84.1 | Confident | 138 Ų | 138 | 101.5 Ų | 101.5 | 65% | 0.645 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -60.2 | -44.7 | 172.6 | -163.9 | 169.2 | -155.3 | 0 | 0 | 111 | E928 A929 E934 E935 D936 | E928-E932 PolarHBondContact O-N 2.64Å; A929-E932 PolarHBondContact O-N 3.02Å; E932-E934 VanDerWaalsContact C-N 3.28Å; E932-E934 PolarHBondContact O-N 2.75Å; E932-E935 PolarHBondContact O-N 3.01Å; E932-D936 WeakPolarHBondContact O-CB 3.18Å; E932-D936 PolarHBondContact O-N 3.28Å |
| 933 | E | 85 | Confident | 83.8 | Confident | 127 Ų | 127 | 98.2 Ų | 98.2 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -62.6 | -27.2 | 171 | -76.3 | -171.5 | 166.6 | 0 | 0 | 114.1 | A929 R937 | A929-E933 WeakPolarHBondContact O-CG 2.98Å; A929-E933 PolarHBondContact O-N 2.66Å; E933-R937 WeakPolarHBondContact O-CB 2.9Å; E933-R937 PolarHBondContact O-N 2.79Å; E933-R937 VanDerWaalsContact O-N 3.13Å; E933-R937 PolarHBondContact O-NH2 2.77Å |
| 934 | E | 78.4 | Confident | 83.5 | Confident | 104 Ų | 104 | 100.1 Ų | 100.1 | 49% | 0.486 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -80.5 | -38.1 | 177 | -161.7 | 71.9 | -143.8 | 0 | 0 | 111.1 | R930 L931 E932 R937 G938 | R930-E934 WeakPolarHBondContact O-CB 3.25Å; R930-E934 PolarHBondContact O-N 3.36Å; L931-E934 WeakPolarHBondContact O-CB 3.07Å; L931-E934 PolarHBondContact O-N 2.78Å; E932-E934 VanDerWaalsContact C-N 3.28Å; E932-E934 PolarHBondContact O-N 2.75Å; E934-R937 PolarHBondContact O-N 3.33Å; E934-R937 IonicContact OE1-CZ 3.64Å; E934-R937 IonicContact OE1-NH1 2.81Å; E934-R937 PolarHBondContact OE1-NH1 2.78Å; E934-R937 IonicContact OE2-CZ 3.17Å; E934-R937 IonicContact OE2-NH1 2.74Å; E934-R937 PolarHBondContact OE2-NH1 3.4Å; E934-R937 IonicContact OE2-NH2 2.66Å; E934-R937 PolarHBondContact OE2-NH2 2.84Å; E934-G938 PolarHBondContact O-N 2.79Å |
| 935 | E | 81.2 | Confident | 83.1 | Confident | 101 Ų | 101 | 102.2 Ų | 102.2 | 47% | 0.472 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 173.8 | -72 | -177 | -172.4 | 0 | 0 | 111.4 | L931 E932 R937 G938 Q939 | L931-E935 WeakPolarHBondContact O-CG 3.04Å; L931-E935 PolarHBondContact O-N 3.19Å; E932-E935 PolarHBondContact O-N 3.01Å; E935-R937 VanDerWaalsContact C-N 3.35Å; E935-R937 PolarHBondContact O-N 3.33Å; E935-G938 PolarHBondContact O-N 2.79Å; E935-Q939 WeakPolarHBondContact O-CG 3.36Å; E935-Q939 PolarHBondContact O-N 3.33Å |
| 936 | D | 83.7 | Confident | 82.8 | Confident | 83 Ų | 83 | 103.9 Ų | 103.9 | 44% | 0.444 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.7 | -40 | 172.1 | -104.3 | 10.7 | 0 | 0 | 0 | 111.8 | E932 G938 Q939 Q940 | E932-D936 WeakPolarHBondContact O-CB 3.18Å; E932-D936 PolarHBondContact O-N 3.28Å; D936-G938 VanDerWaalsContact C-N 3.34Å; D936-Q939 PolarHBondContact O-N 3.22Å; D936-Q939 PolarHBondContact OD1-NE2 2.87Å; D936-Q940 WeakPolarHBondContact O-CB 3.17Å; D936-Q940 VanDerWaalsContact O-CG 3.27Å; D936-Q940 WeakPolarHBondContact O-CG 3.29Å; D936-Q940 PolarHBondContact O-N 3Å |
| 937 | R | 84 | Confident | 82.6 | Confident | 101 Ų | 101 | 106.1 Ų | 106.1 | 38% | 0.381 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.2 | -34 | 174.5 | -158.8 | -173.5 | -37.2 | 125.6 | 21.2 | 112 | E933 E934 E935 Q940 L941 | E933-R937 WeakPolarHBondContact O-CB 2.9Å; E933-R937 PolarHBondContact O-N 2.79Å; E933-R937 VanDerWaalsContact O-N 3.13Å; E933-R937 PolarHBondContact O-NH2 2.77Å; E934-R937 PolarHBondContact O-N 3.33Å; E934-R937 IonicContact OE1-CZ 3.64Å; E934-R937 IonicContact OE1-NH1 2.81Å; E934-R937 PolarHBondContact OE1-NH1 2.78Å; E934-R937 IonicContact OE2-CZ 3.17Å; E934-R937 IonicContact OE2-NH1 2.74Å; E934-R937 PolarHBondContact OE2-NH1 3.4Å; E934-R937 IonicContact OE2-NH2 2.66Å; E934-R937 PolarHBondContact OE2-NH2 2.84Å; E935-R937 VanDerWaalsContact C-N 3.35Å; E935-R937 PolarHBondContact O-N 3.33Å; R937-Q940 PolarHBondContact O-N 3.4Å; R937-L941 HydrophobicContact CG-CD1 4.5Å; R937-L941 WeakPolarHBondContact O-CB 3.32Å; R937-L941 VanDerWaalsContact O-CG 3.29Å; R937-L941 WeakPolarHBondContact O-CG 3.41Å; R937-L941 PolarHBondContact O-N 2.79Å |
| 938 | G | 80.9 | Confident | 82.3 | Confident | 36 Ų | 36 | 107.7 Ų | 107.7 | 37% | 0.371 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.5 | -42.6 | 171 | 0 | 0 | 0 | 0 | 0 | 112.4 | E934 E935 D936 Q942 | E934-G938 PolarHBondContact O-N 2.79Å; E935-G938 PolarHBondContact O-N 2.79Å; D936-G938 VanDerWaalsContact C-N 3.34Å; G938-Q942 WeakPolarHBondContact O-CB 2.75Å; G938-Q942 PolarHBondContact O-N 2.99Å |
| 939 | Q | 83.7 | Confident | 81.9 | Confident | 124 Ų | 124 | 104.7 Ų | 104.7 | 58% | 0.579 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.7 | -42.7 | 172.9 | -71.7 | -179 | 75.6 | 0 | 0 | 112 | E935 D936 Q942 A943 | E935-Q939 WeakPolarHBondContact O-CG 3.36Å; E935-Q939 PolarHBondContact O-N 3.33Å; D936-Q939 PolarHBondContact O-N 3.22Å; D936-Q939 PolarHBondContact OD1-NE2 2.87Å; Q939-Q942 PolarHBondContact O-N 3.42Å; Q939-A943 WeakPolarHBondContact O-CB 3.07Å; Q939-A943 PolarHBondContact O-N 3.39Å |
| 940 | Q | 83.9 | Confident | 81.5 | Confident | 119 Ų | 119 | 107.3 Ų | 107.3 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.8 | -48.6 | 175 | -72.8 | 171.3 | 38.1 | 0 | 0 | 111.4 | D936 R937 Q942 A943 E944 | D936-Q940 WeakPolarHBondContact O-CB 3.17Å; D936-Q940 VanDerWaalsContact O-CG 3.27Å; D936-Q940 WeakPolarHBondContact O-CG 3.29Å; D936-Q940 PolarHBondContact O-N 3Å; R937-Q940 PolarHBondContact O-N 3.4Å; Q940-Q942 VanDerWaalsContact C-N 3.32Å; Q940-Q942 PolarHBondContact O-N 2.76Å; Q940-A943 CarbonylContact O-C 3.56Å; Q940-A943 WeakPolarHBondContact O-CB 3.24Å; Q940-A943 PolarHBondContact O-N 3.35Å; Q940-A943 VanDerWaalsContact O-N 3.14Å; Q940-E944 WeakPolarHBondContact O-CG 3.42Å; Q940-E944 PolarHBondContact O-N 3.07Å |
| 941 | L | 79.3 | Confident | 81.3 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 54% | 0.539 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.9 | -38.2 | 175.3 | -75.6 | 168.5 | 0 | 0 | 0 | 112.1 | R937 E944 R945 | R937-L941 HydrophobicContact CG-CD1 4.5Å; R937-L941 WeakPolarHBondContact O-CB 3.32Å; R937-L941 VanDerWaalsContact O-CG 3.29Å; R937-L941 WeakPolarHBondContact O-CG 3.41Å; R937-L941 PolarHBondContact O-N 2.79Å; L941-E944 PolarHBondContact O-N 3.37Å; L941-R945 VanDerWaalsContact O-CB 3.23Å; L941-R945 WeakPolarHBondContact O-CB 3.08Å; L941-R945 PolarHBondContact O-N 3.29Å |
| 942 | Q | 79.1 | Confident | 80.9 | Confident | 108 Ų | 108 | 108.8 Ų | 108.8 | 51% | 0.505 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.8 | -35.8 | 175.3 | -167.5 | -179.1 | 97 | 0 | 0 | 112.1 | G938 Q939 Q940 K946 | G938-Q942 WeakPolarHBondContact O-CB 2.75Å; G938-Q942 PolarHBondContact O-N 2.99Å; Q939-Q942 PolarHBondContact O-N 3.42Å; Q940-Q942 VanDerWaalsContact C-N 3.32Å; Q940-Q942 PolarHBondContact O-N 2.76Å; Q942-K946 WeakPolarHBondContact O-CB 3.03Å; Q942-K946 PolarHBondContact O-N 3.33Å |
| 943 | A | 83 | Confident | 80.6 | Confident | 58 Ų | 58 | 107.3 Ų | 107.3 | 48% | 0.479 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -69.4 | -41.8 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Q939 Q940 K946 K947 | Q939-A943 WeakPolarHBondContact O-CB 3.07Å; Q939-A943 PolarHBondContact O-N 3.39Å; Q940-A943 CarbonylContact O-C 3.56Å; Q940-A943 WeakPolarHBondContact O-CB 3.24Å; Q940-A943 PolarHBondContact O-N 3.35Å; Q940-A943 VanDerWaalsContact O-N 3.14Å; A943-K946 WeakPolarHBondContact O-CB 3.4Å; A943-K946 PolarHBondContact O-N 2.86Å; A943-K947 WeakPolarHBondContact O-CB 2.95Å; A943-K947 PolarHBondContact O-N 3.36Å |
| 944 | E | 81.9 | Confident | 80.3 | Confident | 125 Ų | 125 | 104.2 Ų | 104.2 | 58% | 0.584 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -65.2 | -41.8 | 173.1 | -72.7 | -165.9 | 146.4 | 0 | 0 | 111.7 | Q940 L941 K946 K947 M948 | Q940-E944 WeakPolarHBondContact O-CG 3.42Å; Q940-E944 PolarHBondContact O-N 3.07Å; L941-E944 PolarHBondContact O-N 3.37Å; E944-K946 PolarHBondContact O-N 2.85Å; E944-K947 CarbonylContact O-C 3.57Å; E944-K947 WeakPolarHBondContact O-CA 3.24Å; E944-K947 WeakPolarHBondContact O-CB 3.11Å; E944-K947 PolarHBondContact O-N 3.14Å; E944-K947 VanDerWaalsContact O-N 3.07Å; E944-M948 PolarHBondContact O-N 2.93Å |
| 945 | R | 77.6 | Confident | 80.2 | Confident | 150 Ų | 150 | 104.3 Ų | 104.3 | 57% | 0.566 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -65.6 | -36.5 | 175.6 | -163.2 | 173.1 | -175.5 | 175.6 | 3.3 | 111.9 | L941 A949 E1662 | L941-R945 VanDerWaalsContact O-CB 3.23Å; L941-R945 WeakPolarHBondContact O-CB 3.08Å; L941-R945 PolarHBondContact O-N 3.29Å; R945-A949 WeakPolarHBondContact O-CB 3.46Å; R945-A949 PolarHBondContact O-N 2.88Å; R945-E1662 IonicContact CZ-OE1 3.55Å; R945-E1662 IonicContact CZ-OE2 2.67Å; R945-E1662 IonicContact NH1-OE1 3.86Å; R945-E1662 PolarHBondContact NH1-OE1 2.84Å; R945-E1662 IonicContact NH1-OE2 3.15Å; R945-E1662 PolarHBondContact NH1-OE2 2.95Å; R945-E1662 IonicContact NH2-OE2 2.81Å |
| 946 | K | 80.2 | Confident | 79.9 | Confident | 156 Ų | 156 | 103.7 Ų | 103.7 | 68% | 0.678 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -62 | -42.2 | 167.4 | -98 | -176.4 | 173.6 | 176.6 | 0 | 112.4 | Q942 A943 E944 A949 Q950 | Q942-K946 WeakPolarHBondContact O-CB 3.03Å; Q942-K946 PolarHBondContact O-N 3.33Å; A943-K946 WeakPolarHBondContact O-CB 3.4Å; A943-K946 PolarHBondContact O-N 2.86Å; E944-K946 PolarHBondContact O-N 2.85Å; K946-A949 PolarHBondContact O-N 2.94Å; K946-Q950 PolarHBondContact O-N 3.21Å |
| 947 | K | 83.2 | Confident | 79.5 | Confident | 141 Ų | 141 | 106.4 Ų | 106.4 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -69.9 | -38.1 | -179.7 | -168.7 | 179.8 | 178.9 | -173.4 | 0 | 112 | A943 E944 Q950 Q951 | A943-K947 WeakPolarHBondContact O-CB 2.95Å; A943-K947 PolarHBondContact O-N 3.36Å; E944-K947 CarbonylContact O-C 3.57Å; E944-K947 WeakPolarHBondContact O-CA 3.24Å; E944-K947 WeakPolarHBondContact O-CB 3.11Å; E944-K947 PolarHBondContact O-N 3.14Å; E944-K947 VanDerWaalsContact O-N 3.07Å; K947-Q950 PolarHBondContact O-N 3.07Å; K947-Q951 WeakPolarHBondContact O-CB 3.06Å; K947-Q951 VanDerWaalsContact O-CG 3.3Å; K947-Q951 WeakPolarHBondContact O-CG 3.41Å; K947-Q951 PolarHBondContact O-N 3.44Å |
| 948 | M | 76.8 | Confident | 79.2 | Confident | 129 Ų | 129 | 106.9 Ų | 106.9 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -65.1 | -42.1 | 169.3 | -95.5 | -169.5 | 167.9 | 0 | 0 | 111.7 | E944 Q950 Q951 M952 | E944-M948 PolarHBondContact O-N 2.93Å; M948-Q950 VanDerWaalsContact C-N 3.32Å; M948-Q950 PolarHBondContact O-N 2.96Å; M948-Q951 CarbonylContact O-C 3.59Å; M948-Q951 PolarHBondContact O-N 2.76Å; M948-M952 WeakPolarHBondContact O-CB 3.04Å; M948-M952 WeakPolarHBondContact O-CG 3.35Å; M948-M952 PolarHBondContact O-N 2.85Å |
| 949 | A | 77.5 | Confident | 78.8 | Confident | 52 Ų | 52 | 109.9 Ų | 109.9 | 43% | 0.43 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | R945 K946 M952 L953 | R945-A949 WeakPolarHBondContact O-CB 3.46Å; R945-A949 PolarHBondContact O-N 2.88Å; K946-A949 PolarHBondContact O-N 2.94Å; A949-M952 PolarHBondContact O-N 3.18Å; A949-L953 PolarHBondContact O-N 2.91Å |
| 950 | Q | 80.3 | Confident | 78.4 | Confident | 104 Ų | 104 | 110.4 Ų | 110.4 | 49% | 0.486 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.9 | -48.9 | 170.8 | -171.7 | 64.1 | 59.9 | 0 | 0 | 111 | K946 K947 M948 M952 L953 D954 | K946-Q950 PolarHBondContact O-N 3.21Å; K947-Q950 PolarHBondContact O-N 3.07Å; M948-Q950 VanDerWaalsContact C-N 3.32Å; M948-Q950 PolarHBondContact O-N 2.96Å; Q950-M952 PolarHBondContact O-N 3.32Å; Q950-L953 WeakPolarHBondContact O-CB 3.14Å; Q950-L953 PolarHBondContact O-N 3.48Å; Q950-D954 PolarHBondContact NE2-OD1 2.91Å; Q950-D954 PolarHBondContact O-N 3.37Å |
| 951 | Q | 79.6 | Confident | 78 | Confident | 102 Ų | 102 | 111.8 Ų | 111.8 | 48% | 0.477 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -62.6 | -28.4 | 176.4 | -73.8 | 179.3 | -52.7 | 0 | 0 | 113.3 | K947 M948 L955 | K947-Q951 WeakPolarHBondContact O-CB 3.06Å; K947-Q951 VanDerWaalsContact O-CG 3.3Å; K947-Q951 WeakPolarHBondContact O-CG 3.41Å; K947-Q951 PolarHBondContact O-N 3.44Å; M948-Q951 CarbonylContact O-C 3.59Å; M948-Q951 PolarHBondContact O-N 2.76Å; Q951-L955 WeakPolarHBondContact O-CB 3.34Å; Q951-L955 WeakPolarHBondContact O-CD1 3.09Å; Q951-L955 WeakPolarHBondContact O-CG 3.49Å; Q951-L955 PolarHBondContact O-N 3.24Å |
| 952 | M | 74.8 | Confident | 77.6 | Confident | 124 Ų | 124 | 112 Ų | 112 | 61% | 0.611 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -73.4 | -35.9 | 172.2 | -78.4 | -174.4 | 66.7 | 0 | 0 | 111.9 | M948 A949 Q950 L955 E956 | M948-M952 WeakPolarHBondContact O-CB 3.04Å; M948-M952 WeakPolarHBondContact O-CG 3.35Å; M948-M952 PolarHBondContact O-N 2.85Å; A949-M952 PolarHBondContact O-N 3.18Å; Q950-M952 PolarHBondContact O-N 3.32Å; M952-L955 CarbonylContact O-C 3.57Å; M952-L955 PolarHBondContact O-N 3.22Å; M952-E956 WeakPolarHBondContact O-CB 3.44Å; M952-E956 WeakPolarHBondContact O-CG 2.94Å; M952-E956 PolarHBondContact O-N 3.37Å |
| 953 | L | 78.9 | Confident | 77.2 | Confident | 106 Ų | 106 | 111.4 Ų | 111.4 | 56% | 0.555 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.2 | -47 | 169.5 | -82.3 | 164.2 | 0 | 0 | 0 | 111.4 | A949 Q950 L955 E956 E957 | A949-L953 PolarHBondContact O-N 2.91Å; Q950-L953 WeakPolarHBondContact O-CB 3.14Å; Q950-L953 PolarHBondContact O-N 3.48Å; L953-L955 PolarHBondContact O-N 3.42Å; L953-E956 PolarHBondContact O-N 2.84Å; L953-E956 VanDerWaalsContact O-N 3.14Å; L953-E957 PolarHBondContact O-N 3.14Å |
| 954 | D | 78.6 | Confident | 76.7 | Confident | 62 Ų | 62 | 111.6 Ų | 111.6 | 33% | 0.332 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.2 | -31 | 176.5 | -54 | -10.2 | 0 | 0 | 0 | 111.4 | Q950 Q958 | Q950-D954 PolarHBondContact NE2-OD1 2.91Å; Q950-D954 PolarHBondContact O-N 3.37Å; D954-Q958 WeakPolarHBondContact O-CB 3.04Å; D954-Q958 VanDerWaalsContact O-CG 3.28Å; D954-Q958 WeakPolarHBondContact O-CG 3.44Å; D954-Q958 PolarHBondContact O-N 3.04Å; D954-Q958 PolarHBondContact O-NE2 3.45Å |
| 955 | L | 75.2 | Confident | 76.2 | Confident | 106 Ų | 106 | 107.6 Ų | 107.6 | 56% | 0.555 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -83.4 | -30.4 | 173.7 | -77.1 | 169.6 | 0 | 0 | 0 | 113.5 | Q951 M952 L953 L959 | Q951-L955 WeakPolarHBondContact O-CB 3.34Å; Q951-L955 WeakPolarHBondContact O-CD1 3.09Å; Q951-L955 WeakPolarHBondContact O-CG 3.49Å; Q951-L955 PolarHBondContact O-N 3.24Å; M952-L955 CarbonylContact O-C 3.57Å; M952-L955 PolarHBondContact O-N 3.22Å; L953-L955 PolarHBondContact O-N 3.42Å; L955-L959 WeakPolarHBondContact O-CB 2.91Å; L955-L959 PolarHBondContact O-N 3.13Å |
| 956 | E | 75.4 | Confident | 75.6 | Confident | 89 Ų | 89 | 108.1 Ų | 108.1 | 42% | 0.416 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 170.1 | -84.5 | -162.4 | -175.4 | 0 | 0 | 110.2 | M952 L953 L959 E960 K1676 | M952-E956 WeakPolarHBondContact O-CB 3.44Å; M952-E956 WeakPolarHBondContact O-CG 2.94Å; M952-E956 PolarHBondContact O-N 3.37Å; L953-E956 PolarHBondContact O-N 2.84Å; L953-E956 VanDerWaalsContact O-N 3.14Å; E956-L959 CarbonylContact O-C 3.59Å; E956-L959 PolarHBondContact O-N 2.93Å; E956-L959 VanDerWaalsContact O-N 3.14Å; E956-E960 PolarHBondContact O-N 2.68Å; E956-K1676 IonicContact OE1-NZ 3.2Å; E956-K1676 IonicContact OE2-NZ 2.68Å; E956-K1676 PolarHBondContact OE2-NZ 2.75Å |
| 957 | E | 76.7 | Confident | 75 | Confident | 139 Ų | 139 | 107.5 Ų | 107.5 | 65% | 0.65 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -64 | -44.3 | 174.6 | -170 | 171 | -140.8 | 0 | 0 | 111 | L953 L959 E960 E961 | L953-E957 PolarHBondContact O-N 3.14Å; E957-L959 VanDerWaalsContact C-N 3.3Å; E957-L959 PolarHBondContact O-N 2.76Å; E957-E960 PolarHBondContact O-N 3.43Å; E957-E961 PolarHBondContact O-N 3.04Å |
| 958 | Q | 77.1 | Confident | 74.4 | Confident | 112 Ų | 112 | 108.5 Ų | 108.5 | 52% | 0.523 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -64.9 | -30.1 | 170.9 | -76.5 | 167.3 | 56.8 | 0 | 0 | 113.3 | D954 E962 | D954-Q958 WeakPolarHBondContact O-CB 3.04Å; D954-Q958 VanDerWaalsContact O-CG 3.28Å; D954-Q958 WeakPolarHBondContact O-CG 3.44Å; D954-Q958 PolarHBondContact O-N 3.04Å; D954-Q958 PolarHBondContact O-NE2 3.45Å; Q958-E962 WeakPolarHBondContact O-CB 2.84Å; Q958-E962 PolarHBondContact O-N 2.85Å |
| 959 | L | 71.5 | Confident | 73.7 | Confident | 99 Ų | 99 | 106.9 Ų | 106.9 | 52% | 0.518 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -77.7 | -29 | 176.2 | -166.1 | 73.5 | 0 | 0 | 0 | 111.7 | L955 E956 E957 E963 | L955-L959 WeakPolarHBondContact O-CB 2.91Å; L955-L959 PolarHBondContact O-N 3.13Å; E956-L959 CarbonylContact O-C 3.59Å; E956-L959 PolarHBondContact O-N 2.93Å; E956-L959 VanDerWaalsContact O-N 3.14Å; E957-L959 VanDerWaalsContact C-N 3.3Å; E957-L959 PolarHBondContact O-N 2.76Å; L959-E963 VanDerWaalsContact O-CB 3.27Å; L959-E963 WeakPolarHBondContact O-CB 3.17Å; L959-E963 WeakPolarHBondContact O-CG 3.33Å; L959-E963 PolarHBondContact O-N 2.8Å |
| 960 | E | 76.3 | Confident | 72.9 | Confident | 135 Ų | 135 | 108.7 Ų | 108.7 | 63% | 0.631 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -72 | -38.3 | 168.2 | -73.8 | -165.1 | 161.3 | 0 | 0 | 111.3 | E956 E957 E963 A964 | E956-E960 PolarHBondContact O-N 2.68Å; E957-E960 PolarHBondContact O-N 3.43Å; E960-E963 PolarHBondContact O-N 2.95Å; E960-A964 WeakPolarHBondContact O-CB 3.34Å; E960-A964 PolarHBondContact O-N 2.93Å |
| 961 | E | 75.8 | Confident | 72.1 | Confident | 147 Ų | 147 | 110.2 Ų | 110.2 | 69% | 0.687 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -63 | -43.1 | 170 | -74.2 | -154.2 | 133.2 | 0 | 0 | 112.2 | E957 A964 A965 | E957-E961 PolarHBondContact O-N 3.04Å; E961-A964 PolarHBondContact O-N 2.89Å; E961-A965 WeakPolarHBondContact O-CB 3.11Å; E961-A965 PolarHBondContact O-N 3.46Å |
| 962 | E | 70.7 | Confident | 71.3 | Confident | 107 Ų | 107 | 111.6 Ų | 111.6 | 50% | 0.5 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -73.4 | -30.8 | 173.6 | -100.4 | -71.9 | 166.4 | 0 | 0 | 112.9 | Q958 A964 A965 R966 | Q958-E962 WeakPolarHBondContact O-CB 2.84Å; Q958-E962 PolarHBondContact O-N 2.85Å; E962-A964 VanDerWaalsContact C-N 3.33Å; E962-A965 PolarHBondContact O-N 2.88Å; E962-R966 WeakPolarHBondContact O-CA 3.07Å; E962-R966 WeakPolarHBondContact O-CB 2.96Å; E962-R966 PolarHBondContact O-N 3.24Å |
| 963 | E | 70.8 | Confident | 70.5 | Confident | 97 Ų | 97 | 109.7 Ų | 109.7 | 45% | 0.453 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -67 | -37 | 171.1 | -82.6 | -164.1 | 168.4 | 0 | 0 | 110.6 | L959 E960 R966 Q967 | L959-E963 VanDerWaalsContact O-CB 3.27Å; L959-E963 WeakPolarHBondContact O-CB 3.17Å; L959-E963 WeakPolarHBondContact O-CG 3.33Å; L959-E963 PolarHBondContact O-N 2.8Å; E960-E963 PolarHBondContact O-N 2.95Å; E963-R966 PolarHBondContact O-N 3.29Å; E963-Q967 WeakPolarHBondContact O-CB 3.33Å; E963-Q967 WeakPolarHBondContact O-CG 3.42Å; E963-Q967 PolarHBondContact O-N 2.83Å |
| 964 | A | 72 | Confident | 69.7 | Low | 61 Ų | 61 | 108.9 Ų | 108.9 | 50% | 0.504 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -66.4 | -43.4 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | E960 E961 E962 R966 K968 | E960-A964 WeakPolarHBondContact O-CB 3.34Å; E960-A964 PolarHBondContact O-N 2.93Å; E961-A964 PolarHBondContact O-N 2.89Å; E962-A964 VanDerWaalsContact C-N 3.33Å; A964-R966 VanDerWaalsContact C-N 3.33Å; A964-R966 PolarHBondContact O-N 2.72Å; A964-K968 PolarHBondContact O-N 3.43Å |
| 965 | A | 71.9 | Confident | 69 | Low | 41 Ų | 41 | 110.8 Ų | 110.8 | 34% | 0.339 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 173.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | E961 E962 K968 L969 | E961-A965 WeakPolarHBondContact O-CB 3.11Å; E961-A965 PolarHBondContact O-N 3.46Å; E962-A965 PolarHBondContact O-N 2.88Å; A965-K968 CarbonylContact O-C 3.1Å; A965-K968 WeakPolarHBondContact O-CA 2.98Å; A965-K968 VanDerWaalsContact O-CB 3.28Å; A965-K968 WeakPolarHBondContact O-CB 3.32Å; A965-K968 PolarHBondContact O-N 3.48Å; A965-L969 WeakPolarHBondContact O-CB 3.46Å; A965-L969 PolarHBondContact O-N 3.38Å |
| 966 | R | 64.7 | Low | 68.1 | Low | 161 Ų | 161 | 107.6 Ų | 107.6 | 61% | 0.608 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -78.2 | -26.2 | -178.4 | -169.3 | 175.7 | -166.9 | 158.8 | 2.4 | 113 | E962 E963 A964 K968 L969 Q970 | E962-R966 WeakPolarHBondContact O-CA 3.07Å; E962-R966 WeakPolarHBondContact O-CB 2.96Å; E962-R966 PolarHBondContact O-N 3.24Å; E963-R966 PolarHBondContact O-N 3.29Å; A964-R966 VanDerWaalsContact C-N 3.33Å; A964-R966 PolarHBondContact O-N 2.72Å; R966-K968 VanDerWaalsContact C-N 3.35Å; R966-L969 CarbonylContact O-C 3.57Å; R966-L969 PolarHBondContact O-N 3.15Å; R966-Q970 WeakPolarHBondContact O-CA 3.33Å; R966-Q970 VanDerWaalsContact O-CB 3.26Å; R966-Q970 WeakPolarHBondContact O-CB 3.22Å; R966-Q970 PolarHBondContact O-N 3.37Å |
| 967 | Q | 68.2 | Low | 67.2 | Low | 144 Ų | 144 | 106.3 Ų | 106.3 | 67% | 0.673 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -64.4 | -42.1 | 163.9 | -78.7 | -177 | 18.4 | 0 | 0 | 110.9 | E963 L969 Q970 L971 | E963-Q967 WeakPolarHBondContact O-CB 3.33Å; E963-Q967 WeakPolarHBondContact O-CG 3.42Å; E963-Q967 PolarHBondContact O-N 2.83Å; Q967-L969 VanDerWaalsContact C-N 3.34Å; Q967-Q970 WeakPolarHBondContact O-CB 2.9Å; Q967-Q970 PolarHBondContact O-N 3.27Å; Q967-Q970 VanDerWaalsContact O-N 3.14Å; Q967-L971 PolarHBondContact O-N 2.94Å |
| 968 | K | 69.6 | Low | 66.4 | Low | 161 Ų | 161 | 103.5 Ų | 103.5 | 70% | 0.7 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -65.2 | -38.6 | 173.5 | -163.5 | -178.7 | -177 | -178.2 | 0 | 111.7 | A964 A965 R966 Q970 L971 | A964-K968 PolarHBondContact O-N 3.43Å; A965-K968 CarbonylContact O-C 3.1Å; A965-K968 WeakPolarHBondContact O-CA 2.98Å; A965-K968 VanDerWaalsContact O-CB 3.28Å; A965-K968 WeakPolarHBondContact O-CB 3.32Å; A965-K968 PolarHBondContact O-N 3.48Å; R966-K968 VanDerWaalsContact C-N 3.35Å; K968-Q970 VanDerWaalsContact C-N 3.32Å; K968-L971 PolarHBondContact O-N 3.39Å |
| 969 | L | 62.3 | Low | 65.5 | Low | 96 Ų | 96 | 105.9 Ų | 105.9 | 50% | 0.503 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -74 | -19.2 | 172.8 | -131.2 | 158.1 | 0 | 0 | 0 | 112.3 | A965 R966 Q967 E972 K973 | A965-L969 WeakPolarHBondContact O-CB 3.46Å; A965-L969 PolarHBondContact O-N 3.38Å; R966-L969 CarbonylContact O-C 3.57Å; R966-L969 PolarHBondContact O-N 3.15Å; Q967-L969 VanDerWaalsContact C-N 3.34Å; L969-E972 CarbonylContact O-C 3.52Å; L969-E972 PolarHBondContact O-N 2.9Å; L969-K973 WeakPolarHBondContact O-CB 3.04Å; L969-K973 PolarHBondContact O-N 3.46Å |
| 970 | Q | 60.4 | Low | 64.9 | Low | 90 Ų | 90 | 104.9 Ų | 104.9 | 42% | 0.421 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -73.6 | -33.9 | 173.6 | -162.2 | 88.3 | -22.3 | 0 | 0 | 110.7 | R966 Q967 K968 E972 K973 V974 | R966-Q970 WeakPolarHBondContact O-CA 3.33Å; R966-Q970 VanDerWaalsContact O-CB 3.26Å; R966-Q970 WeakPolarHBondContact O-CB 3.22Å; R966-Q970 PolarHBondContact O-N 3.37Å; Q967-Q970 WeakPolarHBondContact O-CB 2.9Å; Q967-Q970 PolarHBondContact O-N 3.27Å; Q967-Q970 VanDerWaalsContact O-N 3.14Å; K968-Q970 VanDerWaalsContact C-N 3.32Å; Q970-E972 VanDerWaalsContact C-N 3.28Å; Q970-E972 PolarHBondContact O-N 3.05Å; Q970-K973 CarbonylContact O-C 3.52Å; Q970-K973 WeakPolarHBondContact O-CA 3.19Å; Q970-K973 WeakPolarHBondContact O-CB 3.34Å; Q970-K973 PolarHBondContact O-N 3.31Å; Q970-K973 VanDerWaalsContact O-N 3.1Å; Q970-V974 WeakPolarHBondContact O-CG2 3.42Å; Q970-V974 PolarHBondContact O-N 3.02Å |
| 971 | L | 64.8 | Low | 64.1 | Low | 136 Ų | 136 | 105.1 Ų | 105.1 | 71% | 0.712 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -63.2 | -34.8 | 169.2 | -77.1 | 159.1 | 0 | 0 | 0 | 111.7 | Q967 K968 | Q967-L971 PolarHBondContact O-N 2.94Å; K968-L971 PolarHBondContact O-N 3.39Å |
| 972 | E | 61.9 | Low | 63.4 | Low | 131 Ų | 131 | 106.1 Ų | 106.1 | 61% | 0.612 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -75.1 | -33.2 | 168.5 | -61.2 | -168.5 | 155.5 | 0 | 0 | 111.9 | L969 Q970 V974 T975 A976 | L969-E972 CarbonylContact O-C 3.52Å; L969-E972 PolarHBondContact O-N 2.9Å; Q970-E972 VanDerWaalsContact C-N 3.28Å; Q970-E972 PolarHBondContact O-N 3.05Å; E972-V974 PolarHBondContact O-N 3.45Å; E972-T975 CarbonylContact O-C 3.58Å; E972-T975 PolarHBondContact O-N 3.21Å; E972-T975 VanDerWaalsContact O-N 3.11Å; E972-T975 PolarHBondContact O-OG1 3.09Å; E972-A976 PolarHBondContact O-N 2.67Å |
| 973 | K | 57.6 | Low | 62.7 | Low | 84 Ų | 84 | 105.9 Ų | 105.9 | 37% | 0.365 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 176.4 | -164.4 | -165.5 | 178.4 | -134.9 | 0 | 111.2 | L969 Q970 T975 A976 E977 | L969-K973 WeakPolarHBondContact O-CB 3.04Å; L969-K973 PolarHBondContact O-N 3.46Å; Q970-K973 CarbonylContact O-C 3.52Å; Q970-K973 WeakPolarHBondContact O-CA 3.19Å; Q970-K973 WeakPolarHBondContact O-CB 3.34Å; Q970-K973 PolarHBondContact O-N 3.31Å; Q970-K973 VanDerWaalsContact O-N 3.1Å; K973-T975 PolarHBondContact O-N 3.47Å; K973-A976 CarbonylContact O-C 3.33Å; K973-A976 WeakPolarHBondContact O-CA 3.22Å; K973-A976 WeakPolarHBondContact O-CB 3.45Å; K973-A976 PolarHBondContact O-N 3.43Å; K973-E977 WeakPolarHBondContact CD-OE1 3.39Å; K973-E977 WeakPolarHBondContact CE-OE1 3.41Å; K973-E977 HydrophobicContact CG-CG 4.08Å; K973-E977 IonicContact NZ-OE1 2.65Å; K973-E977 PolarHBondContact NZ-OE1 3.46Å; K973-E977 WeakPolarHBondContact O-CB 3.35Å; K973-E977 WeakPolarHBondContact O-CG 3.42Å; K973-E977 PolarHBondContact O-N 3Å |
| 974 | V | 61.5 | Low | 62 | Low | 89 Ų | 89 | 105.5 Ų | 105.5 | 54% | 0.539 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -59.3 | -34.3 | 175.5 | 172 | 0 | 0 | 0 | 0 | 112 | Q970 E972 E977 A978 | Q970-V974 WeakPolarHBondContact O-CG2 3.42Å; Q970-V974 PolarHBondContact O-N 3.02Å; E972-V974 PolarHBondContact O-N 3.45Å; V974-E977 WeakPolarHBondContact CA-OE2 2.93Å; V974-A978 PolarHBondContact O-N 2.97Å |
| 975 | T | 64.1 | Low | 61.5 | Low | 101 Ų | 101 | 107.9 Ų | 107.9 | 62% | 0.62 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -82.3 | -16 | 174.1 | 49.9 | 0 | 0 | 0 | 0 | 114 | E972 K973 | E972-T975 CarbonylContact O-C 3.58Å; E972-T975 PolarHBondContact O-N 3.21Å; E972-T975 VanDerWaalsContact O-N 3.11Å; E972-T975 PolarHBondContact O-OG1 3.09Å; K973-T975 PolarHBondContact O-N 3.47Å |
| 976 | A | 57.3 | Low | 60.7 | Low | 40 Ų | 40 | 113.1 Ų | 113.1 | 33% | 0.331 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -84.8 | -36 | 167.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | E972 K973 A978 K979 I980 | E972-A976 PolarHBondContact O-N 2.67Å; K973-A976 CarbonylContact O-C 3.33Å; K973-A976 WeakPolarHBondContact O-CA 3.22Å; K973-A976 WeakPolarHBondContact O-CB 3.45Å; K973-A976 PolarHBondContact O-N 3.43Å; A976-A978 VanDerWaalsContact C-N 3.28Å; A976-A978 PolarHBondContact O-N 3.26Å; A976-K979 CarbonylContact O-C 3.59Å; A976-K979 WeakPolarHBondContact O-CA 3.38Å; A976-K979 WeakPolarHBondContact O-CB 3.1Å; A976-K979 PolarHBondContact O-N 2.97Å; A976-I980 WeakPolarHBondContact O-CG1 3Å; A976-I980 PolarHBondContact O-N 2.97Å |
| 977 | E | 55.2 | Low | 60.3 | Low | 62 Ų | 62 | 110.6 Ų | 110.6 | 29% | 0.29 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.3 | -35.8 | 176.4 | -78.6 | 167.9 | 155.8 | 0 | 0 | 110.9 | K973 V974 K979 I980 K981 | K973-E977 WeakPolarHBondContact CD-OE1 3.39Å; K973-E977 WeakPolarHBondContact CE-OE1 3.41Å; K973-E977 HydrophobicContact CG-CG 4.08Å; K973-E977 IonicContact NZ-OE1 2.65Å; K973-E977 PolarHBondContact NZ-OE1 3.46Å; K973-E977 WeakPolarHBondContact O-CB 3.35Å; K973-E977 WeakPolarHBondContact O-CG 3.42Å; K973-E977 PolarHBondContact O-N 3Å; V974-E977 WeakPolarHBondContact CA-OE2 2.93Å; E977-K979 PolarHBondContact O-N 2.73Å; E977-I980 PolarHBondContact O-N 2.92Å; E977-I980 VanDerWaalsContact O-N 3.16Å; E977-K981 VanDerWaalsContact O-CB 3.25Å; E977-K981 WeakPolarHBondContact O-CB 3.14Å; E977-K981 PolarHBondContact O-N 2.83Å |
| 978 | A | 59.8 | Low | 59.9 | Low | 79 Ų | 79 | 109.6 Ų | 109.6 | 65% | 0.653 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -58.1 | -14.9 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | V974 A976 | V974-A978 PolarHBondContact O-N 2.97Å; A976-A978 VanDerWaalsContact C-N 3.28Å; A976-A978 PolarHBondContact O-N 3.26Å |
| 979 | K | 59.7 | Low | 59.4 | Low | 162 Ų | 162 | 107.4 Ų | 107.4 | 70% | 0.704 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -103.3 | -39.5 | 169.5 | -64.8 | 173.1 | 179.9 | 167.3 | 0 | 112.5 | A976 E977 K981 K982 | A976-K979 CarbonylContact O-C 3.59Å; A976-K979 WeakPolarHBondContact O-CA 3.38Å; A976-K979 WeakPolarHBondContact O-CB 3.1Å; A976-K979 PolarHBondContact O-N 2.97Å; E977-K979 PolarHBondContact O-N 2.73Å; K979-K981 VanDerWaalsContact C-N 3.29Å; K979-K981 PolarHBondContact O-N 3Å; K979-K982 WeakPolarHBondContact O-CB 3.5Å; K979-K982 PolarHBondContact O-N 2.86Å; K979-K982 VanDerWaalsContact O-N 3.16Å |
| 980 | I | 57.8 | Low | 59.1 | Low | 78 Ų | 78 | 109.5 Ų | 109.5 | 40% | 0.4 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -64 | -34.9 | 178.8 | -62.7 | 167.2 | 0 | 0 | 0 | 111 | A976 E977 K982 L983 E984 | A976-I980 WeakPolarHBondContact O-CG1 3Å; A976-I980 PolarHBondContact O-N 2.97Å; E977-I980 PolarHBondContact O-N 2.92Å; E977-I980 VanDerWaalsContact O-N 3.16Å; I980-K982 PolarHBondContact O-N 2.85Å; I980-L983 CarbonylContact O-C 3.57Å; I980-L983 WeakPolarHBondContact O-CA 3.03Å; I980-L983 WeakPolarHBondContact O-CB 3.23Å; I980-L983 PolarHBondContact O-N 3.45Å; I980-E984 HydrophobicContact CG2-CG 4.06Å; I980-E984 PolarHBondContact O-N 3.07Å |
| 981 | K | 59.7 | Low | 58.9 | Low | 140 Ų | 140 | 108.4 Ų | 108.4 | 61% | 0.609 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -58.5 | -22.6 | 175.2 | -163.5 | 163.5 | -166.5 | 166.7 | 0 | 114.3 | E977 K979 L983 E984 | E977-K981 VanDerWaalsContact O-CB 3.25Å; E977-K981 WeakPolarHBondContact O-CB 3.14Å; E977-K981 PolarHBondContact O-N 2.83Å; K979-K981 VanDerWaalsContact C-N 3.29Å; K979-K981 PolarHBondContact O-N 3Å; K981-L983 VanDerWaalsContact C-N 3.3Å; K981-E984 VanDerWaalsContact CA-OE2 3.31Å; K981-E984 WeakPolarHBondContact CA-OE2 3.27Å |
| 982 | K | 60.6 | Low | 58.6 | Low | 169 Ų | 169 | 107.3 Ų | 107.3 | 74% | 0.735 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -84.5 | -1.6 | 174.1 | -149.5 | -174.2 | 177 | -173.7 | 0 | 113.9 | K979 I980 | K979-K982 WeakPolarHBondContact O-CB 3.5Å; K979-K982 PolarHBondContact O-N 2.86Å; K979-K982 VanDerWaalsContact O-N 3.16Å; I980-K982 PolarHBondContact O-N 2.85Å |
| 983 | L | 56.7 | Low | 58.3 | Low | 101 Ų | 101 | 108 Ų | 108 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -112.6 | -30 | 171.2 | -61.2 | 171.1 | 0 | 0 | 0 | 110.5 | I980 K981 D985 E986 I987 | I980-L983 CarbonylContact O-C 3.57Å; I980-L983 WeakPolarHBondContact O-CA 3.03Å; I980-L983 WeakPolarHBondContact O-CB 3.23Å; I980-L983 PolarHBondContact O-N 3.45Å; K981-L983 VanDerWaalsContact C-N 3.3Å; L983-D985 VanDerWaalsContact C-N 3.28Å; L983-D985 PolarHBondContact O-N 3.34Å; L983-E986 PolarHBondContact O-N 3.25Å; L983-E986 VanDerWaalsContact O-N 3.07Å; L983-I987 PolarHBondContact O-N 2.83Å |
| 984 | E | 56.8 | Low | 58.1 | Low | 90 Ų | 90 | 108.1 Ų | 108.1 | 42% | 0.421 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -56.3 | -40 | 171.5 | -71.3 | 168.2 | 174.8 | 0 | 0 | 111.9 | I980 K981 E986 I987 L988 | I980-E984 HydrophobicContact CG2-CG 4.06Å; I980-E984 PolarHBondContact O-N 3.07Å; K981-E984 VanDerWaalsContact CA-OE2 3.31Å; K981-E984 WeakPolarHBondContact CA-OE2 3.27Å; E984-E986 PolarHBondContact O-N 3.48Å; E984-I987 PolarHBondContact O-N 3.25Å; E984-I987 VanDerWaalsContact O-N 3.09Å; E984-L988 PolarHBondContact O-N 2.99Å |
| 985 | D | 60.5 | Low | 58 | Low | 111 Ų | 111 | 107.7 Ų | 107.7 | 59% | 0.594 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -58.5 | -30.9 | 174.5 | -77.6 | -22.9 | 0 | 0 | 0 | 113.5 | L983 | L983-D985 VanDerWaalsContact C-N 3.28Å; L983-D985 PolarHBondContact O-N 3.34Å |
| 986 | E | 55.5 | Low | 57.6 | Low | 151 Ų | 151 | 110.5 Ų | 110.5 | 71% | 0.706 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -84.3 | -25.2 | 176.6 | -65.7 | -171.2 | 159.5 | 0 | 0 | 112.3 | L983 E984 | L983-E986 PolarHBondContact O-N 3.25Å; L983-E986 VanDerWaalsContact O-N 3.07Å; E984-E986 PolarHBondContact O-N 3.48Å |
| 987 | I | 56.3 | Low | 57.4 | Low | 107 Ų | 107 | 113.5 Ų | 113.5 | 55% | 0.549 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -78.8 | -30.4 | 174.4 | -65.4 | 171.9 | 0 | 0 | 0 | 111.3 | L983 E984 V989 M990 D991 | L983-I987 PolarHBondContact O-N 2.83Å; E984-I987 PolarHBondContact O-N 3.25Å; E984-I987 VanDerWaalsContact O-N 3.09Å; I987-V989 PolarHBondContact O-N 3.38Å; I987-V989 VanDerWaalsContact O-N 3.1Å; I987-M990 WeakPolarHBondContact O-CA 3.49Å; I987-M990 WeakPolarHBondContact O-CB 3.41Å; I987-M990 PolarHBondContact O-N 3.33Å; I987-D991 PolarHBondContact O-N 2.92Å |
| 988 | L | 59.3 | Low | 57.4 | Low | 124 Ų | 124 | 113.2 Ų | 113.2 | 65% | 0.649 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -54.1 | -33.9 | -177.4 | -149.9 | 85.4 | 0 | 0 | 0 | 113.6 | E984 | E984-L988 PolarHBondContact O-N 2.99Å |
| 989 | V | 58.7 | Low | 57.2 | Low | 115 Ų | 115 | 117.7 Ų | 117.7 | 70% | 0.697 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -76.9 | -27.7 | 179 | -179.4 | 0 | 0 | 0 | 0 | 112.4 | I987 | I987-V989 PolarHBondContact O-N 3.38Å; I987-V989 VanDerWaalsContact O-N 3.1Å |
| 990 | M | 56.9 | Low | 56.9 | Low | 139 Ų | 139 | 116.1 Ų | 116.1 | 69% | 0.685 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -78.4 | -36.7 | 174.2 | -67.7 | -73 | -75.9 | 0 | 0 | 111.1 | I987 D992 Q993 N994 | I987-M990 WeakPolarHBondContact O-CA 3.49Å; I987-M990 WeakPolarHBondContact O-CB 3.41Å; I987-M990 PolarHBondContact O-N 3.33Å; M990-D992 PolarHBondContact O-N 3.02Å; M990-Q993 PolarHBondContact O-N 2.91Å; M990-N994 PolarHBondContact O-N 3Å |
| 991 | D | 57.2 | Low | 56.7 | Low | 67 Ų | 67 | 119.5 Ų | 119.5 | 36% | 0.358 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -75.9 | -23.2 | -172.9 | -151 | 56.8 | 0 | 0 | 0 | 114.1 | I987 Q993 N994 N995 | I987-D991 PolarHBondContact O-N 2.92Å; D991-Q993 PolarHBondContact O-N 2.8Å; D991-N994 CarbonylContact O-C 3.57Å; D991-N994 WeakPolarHBondContact O-CA 3.26Å; D991-N994 WeakPolarHBondContact O-CB 3.46Å; D991-N994 PolarHBondContact O-N 2.93Å; D991-N994 VanDerWaalsContact O-N 3.15Å; D991-N994 WeakPolarHBondContact OD1-CB 3.48Å; D991-N994 PolarHBondContact OD1-ND2 2.9Å; D991-N995 WeakPolarHBondContact O-CB 3.31Å; D991-N995 PolarHBondContact O-N 2.76Å; D991-N995 PolarHBondContact O-ND2 3.47Å; D991-N995 PolarHBondContact OD2-ND2 2.71Å |
| 992 | D | 57.1 | Low | 56.6 | Low | 114 Ų | 114 | 119.9 Ų | 119.9 | 61% | 0.61 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -66.4 | -35.3 | 173.7 | -173.3 | 56.3 | 0 | 0 | 0 | 112.7 | M990 | M990-D992 PolarHBondContact O-N 3.02Å |
| 993 | Q | 55.1 | Low | 56.5 | Low | 145 Ų | 145 | 117.1 Ų | 117.1 | 68% | 0.678 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -69.3 | -39.5 | 169.4 | -64.8 | -168.1 | -2.5 | 0 | 0 | 111.1 | M990 D991 N995 L997 | M990-Q993 PolarHBondContact O-N 2.91Å; D991-Q993 PolarHBondContact O-N 2.8Å; Q993-N995 VanDerWaalsContact C-N 3.28Å; Q993-N995 PolarHBondContact O-N 3.42Å; Q993-L997 PolarHBondContact O-N 2.84Å |
| 994 | N | 54.5 | Low | 56.4 | Low | 86 Ų | 86 | 116.6 Ų | 116.6 | 46% | 0.46 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -65.2 | -27.7 | 177.4 | -148.7 | 25.8 | 0 | 0 | 0 | 112.5 | M990 D991 L997 S998 | M990-N994 PolarHBondContact O-N 3Å; D991-N994 CarbonylContact O-C 3.57Å; D991-N994 WeakPolarHBondContact O-CA 3.26Å; D991-N994 WeakPolarHBondContact O-CB 3.46Å; D991-N994 PolarHBondContact O-N 2.93Å; D991-N994 VanDerWaalsContact O-N 3.15Å; D991-N994 WeakPolarHBondContact OD1-CB 3.48Å; D991-N994 PolarHBondContact OD1-ND2 2.9Å; N994-L997 CarbonylContact O-C 3.51Å; N994-L997 PolarHBondContact O-N 3.28Å; N994-S998 WeakPolarHBondContact O-CA 3.25Å; N994-S998 VanDerWaalsContact O-CB 3.27Å; N994-S998 WeakPolarHBondContact O-CB 3.16Å; N994-S998 PolarHBondContact O-N 3.39Å |
| 995 | N | 58.6 | Low | 56.6 | Low | 80 Ų | 80 | 116.1 Ų | 116.1 | 43% | 0.428 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -78 | -27.3 | -178.2 | -89.3 | -72.8 | 0 | 0 | 0 | 114.4 | D991 Q993 S998 K999 | D991-N995 WeakPolarHBondContact O-CB 3.31Å; D991-N995 PolarHBondContact O-N 2.76Å; D991-N995 PolarHBondContact O-ND2 3.47Å; D991-N995 PolarHBondContact OD2-ND2 2.71Å; Q993-N995 VanDerWaalsContact C-N 3.28Å; Q993-N995 PolarHBondContact O-N 3.42Å; N995-S998 WeakPolarHBondContact O-CB 2.96Å; N995-S998 PolarHBondContact O-N 2.82Å; N995-K999 PolarHBondContact O-N 2.92Å |
| 996 | K | 56.1 | Low | 56.5 | Low | 161 Ų | 161 | 117.1 Ų | 117.1 | 70% | 0.7 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -70.5 | -46.4 | 166 | -79.2 | 175.3 | -179.3 | 161 | 0 | 110.7 | S998 K999 E1000 | K996-S998 PolarHBondContact O-N 2.68Å; K996-K999 PolarHBondContact O-N 2.76Å; K996-E1000 PolarHBondContact O-N 2.86Å |
| 997 | L | 53.6 | Low | 56.7 | Low | 102 Ų | 102 | 117.5 Ų | 117.5 | 53% | 0.534 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -58.4 | -29.7 | 170 | -75.4 | 168.4 | 0 | 0 | 0 | 111.7 | Q993 N994 R1001 | Q993-L997 PolarHBondContact O-N 2.84Å; N994-L997 CarbonylContact O-C 3.51Å; N994-L997 PolarHBondContact O-N 3.28Å; L997-R1001 VanDerWaalsContact O-CA 3.32Å; L997-R1001 WeakPolarHBondContact O-CA 2.84Å; L997-R1001 WeakPolarHBondContact O-CB 3.22Å; L997-R1001 PolarHBondContact O-N 2.69Å |
| 998 | S | 54.7 | Low | 57 | Low | 56 Ų | 56 | 116.6 Ų | 116.6 | 39% | 0.392 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -69.2 | -35.6 | 178.3 | -173 | 0 | 0 | 0 | 0 | 112.5 | N994 N995 K996 R1001 K1002 | N994-S998 WeakPolarHBondContact O-CA 3.25Å; N994-S998 VanDerWaalsContact O-CB 3.27Å; N994-S998 WeakPolarHBondContact O-CB 3.16Å; N994-S998 PolarHBondContact O-N 3.39Å; N995-S998 WeakPolarHBondContact O-CB 2.96Å; N995-S998 PolarHBondContact O-N 2.82Å; K996-S998 PolarHBondContact O-N 2.68Å; S998-R1001 CarbonylContact O-C 3.54Å; S998-K1002 WeakPolarHBondContact O-CB 3.47Å; S998-K1002 PolarHBondContact O-N 2.81Å |
| 999 | K | 55.4 | Low | 57.3 | Low | 173 Ų | 173 | 113.8 Ų | 113.8 | 75% | 0.752 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -76.9 | -40.6 | 175.5 | -73.3 | -170.1 | 176.5 | -176.6 | 0 | 112.9 | N995 K996 R1001 K1002 L1003 | N995-K999 PolarHBondContact O-N 2.92Å; K996-K999 PolarHBondContact O-N 2.76Å; K999-R1001 VanDerWaalsContact C-N 3.31Å; K999-K1002 PolarHBondContact O-N 2.72Å; K999-L1003 PolarHBondContact O-N 3.44Å; K999-L1003 VanDerWaalsContact O-N 3.16Å |
| 1000 | E | 53.6 | Low | 57.3 | Low | 130 Ų | 130 | 113 Ų | 113 | 61% | 0.607 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -64.1 | -40.6 | 168.6 | -73.4 | -168.8 | 140.4 | 0 | 0 | 110.7 | K996 K1002 L1003 L1004 | K996-E1000 PolarHBondContact O-N 2.86Å; E1000-K1002 VanDerWaalsContact C-N 3.29Å; E1000-K1002 PolarHBondContact O-N 2.8Å; E1000-L1003 PolarHBondContact O-N 3.3Å; E1000-L1004 WeakPolarHBondContact O-CA 3.25Å; E1000-L1004 WeakPolarHBondContact O-CB 3.43Å; E1000-L1004 WeakPolarHBondContact O-CG 3.2Å; E1000-L1004 PolarHBondContact O-N 2.91Å |
| 1001 | R | 54.4 | Low | 57.4 | Low | 149 Ų | 149 | 111.7 Ų | 111.7 | 56% | 0.562 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -63.7 | -27.7 | 173 | 177.8 | 176.2 | 166.9 | -158.6 | -13.2 | 112.3 | L997 S998 K999 L1004 E1005 | L997-R1001 VanDerWaalsContact O-CA 3.32Å; L997-R1001 WeakPolarHBondContact O-CA 2.84Å; L997-R1001 WeakPolarHBondContact O-CB 3.22Å; L997-R1001 PolarHBondContact O-N 2.69Å; S998-R1001 CarbonylContact O-C 3.54Å; K999-R1001 VanDerWaalsContact C-N 3.31Å; R1001-L1004 CarbonylContact O-C 3.6Å; R1001-L1004 VanDerWaalsContact O-C 3.3Å; R1001-E1005 HydrophobicContact CG-CG 4.01Å; R1001-E1005 IonicContact CZ-OE1 2.75Å; R1001-E1005 IonicContact NE-OE1 2.71Å; R1001-E1005 PolarHBondContact NE-OE1 2.67Å; R1001-E1005 IonicContact NE-OE2 3.95Å; R1001-E1005 IonicContact NH2-OE1 3.21Å; R1001-E1005 PolarHBondContact NH2-OE1 3.4Å; R1001-E1005 WeakPolarHBondContact O-CA 3.31Å; R1001-E1005 WeakPolarHBondContact O-CB 3.34Å; R1001-E1005 WeakPolarHBondContact O-CG 3.33Å; R1001-E1005 PolarHBondContact O-N 2.7Å |
| 1002 | K | 57.1 | Low | 57.9 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 64% | 0.643 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -77.3 | -41.2 | 175 | -129.8 | -177.1 | -176.8 | -170.7 | 0 | 112.6 | S998 K999 E1000 L1004 E1005 E1006 | S998-K1002 WeakPolarHBondContact O-CB 3.47Å; S998-K1002 PolarHBondContact O-N 2.81Å; K999-K1002 PolarHBondContact O-N 2.72Å; E1000-K1002 VanDerWaalsContact C-N 3.29Å; E1000-K1002 PolarHBondContact O-N 2.8Å; K1002-L1004 VanDerWaalsContact C-N 3.28Å; K1002-E1005 CarbonylContact O-C 3.54Å; K1002-E1005 PolarHBondContact O-N 2.9Å; K1002-E1006 PolarHBondContact O-N 3.34Å |
| 1003 | L | 57.9 | Low | 58.2 | Low | 111 Ų | 111 | 110 Ų | 110 | 58% | 0.581 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.4 | -26.7 | 173.2 | -136.6 | 159.6 | 0 | 0 | 0 | 111.4 | K999 E1000 R1007 | K999-L1003 PolarHBondContact O-N 3.44Å; K999-L1003 VanDerWaalsContact O-N 3.16Å; E1000-L1003 PolarHBondContact O-N 3.3Å; L1003-R1007 WeakPolarHBondContact O-CB 3.28Å; L1003-R1007 PolarHBondContact O-N 2.69Å |
| 1004 | L | 55.8 | Low | 58.4 | Low | 89 Ų | 89 | 107.4 Ų | 107.4 | 47% | 0.466 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -82.1 | -12.1 | 164.6 | -69.4 | 168.7 | 0 | 0 | 0 | 113.2 | E1000 R1001 K1002 R1007 I1008 | E1000-L1004 WeakPolarHBondContact O-CA 3.25Å; E1000-L1004 WeakPolarHBondContact O-CB 3.43Å; E1000-L1004 WeakPolarHBondContact O-CG 3.2Å; E1000-L1004 PolarHBondContact O-N 2.91Å; R1001-L1004 CarbonylContact O-C 3.6Å; R1001-L1004 VanDerWaalsContact O-C 3.3Å; K1002-L1004 VanDerWaalsContact C-N 3.28Å; L1004-R1007 CarbonylContact O-C 3.59Å; L1004-I1008 HydrophobicContact CB-CD1 4.35Å; L1004-I1008 VanDerWaalsContact O-CA 3.3Å; L1004-I1008 WeakPolarHBondContact O-CA 3.1Å; L1004-I1008 WeakPolarHBondContact O-CB 3.48Å; L1004-I1008 VanDerWaalsContact O-CD1 3.25Å; L1004-I1008 WeakPolarHBondContact O-CD1 3.35Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.19Å; L1004-I1008 PolarHBondContact O-N 2.78Å |
| 1005 | E | 59.5 | Low | 58.6 | Low | 81 Ų | 81 | 107.4 Ų | 107.4 | 38% | 0.379 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -95.5 | -18.5 | 172 | -87.1 | 170.8 | 164.6 | 0 | 0 | 110.5 | R1001 K1002 S1009 | R1001-E1005 HydrophobicContact CG-CG 4.01Å; R1001-E1005 IonicContact CZ-OE1 2.75Å; R1001-E1005 IonicContact NE-OE1 2.71Å; R1001-E1005 PolarHBondContact NE-OE1 2.67Å; R1001-E1005 IonicContact NE-OE2 3.95Å; R1001-E1005 IonicContact NH2-OE1 3.21Å; R1001-E1005 PolarHBondContact NH2-OE1 3.4Å; R1001-E1005 WeakPolarHBondContact O-CA 3.31Å; R1001-E1005 WeakPolarHBondContact O-CB 3.34Å; R1001-E1005 WeakPolarHBondContact O-CG 3.33Å; R1001-E1005 PolarHBondContact O-N 2.7Å; K1002-E1005 CarbonylContact O-C 3.54Å; K1002-E1005 PolarHBondContact O-N 2.9Å; E1005-S1009 WeakPolarHBondContact O-CA 3.48Å; E1005-S1009 WeakPolarHBondContact O-CB 3.29Å; E1005-S1009 PolarHBondContact O-N 2.9Å |
| 1006 | E | 58.4 | Low | 58.8 | Low | 131 Ų | 131 | 106 Ų | 106 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -73 | -46.6 | 155.4 | -73.9 | 176.8 | 150 | 0 | 0 | 109.5 | K1002 I1008 S1009 D1010 | K1002-E1006 PolarHBondContact O-N 3.34Å; E1006-I1008 VanDerWaalsContact C-N 3.33Å; E1006-I1008 PolarHBondContact O-N 3.4Å; E1006-S1009 CarbonylContact O-C 3.53Å; E1006-S1009 PolarHBondContact O-N 3.23Å; E1006-D1010 WeakPolarHBondContact O-CB 3.48Å; E1006-D1010 PolarHBondContact O-N 2.96Å |
| 1007 | R | 60.2 | Low | 59 | Low | 160 Ų | 160 | 103.3 Ų | 103.3 | 60% | 0.604 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -69.5 | -21.6 | 172.8 | -92.7 | 178.3 | 170.8 | 160.2 | -1.1 | 115.2 | L1003 L1004 L1011 | L1003-R1007 WeakPolarHBondContact O-CB 3.28Å; L1003-R1007 PolarHBondContact O-N 2.69Å; L1004-R1007 CarbonylContact O-C 3.59Å; R1007-L1011 WeakPolarHBondContact O-CA 3.09Å; R1007-L1011 WeakPolarHBondContact O-CB 3.33Å; R1007-L1011 WeakPolarHBondContact O-CD1 3.04Å; R1007-L1011 WeakPolarHBondContact O-CG 3.25Å; R1007-L1011 PolarHBondContact O-N 3.45Å |
| 1008 | I | 63 | Low | 59.2 | Low | 88 Ų | 88 | 102.8 Ų | 102.8 | 45% | 0.451 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -96.4 | -14.2 | 171.4 | -66.8 | 163.2 | 0 | 0 | 0 | 109.9 | L1004 E1006 T1012 | L1004-I1008 HydrophobicContact CB-CD1 4.35Å; L1004-I1008 VanDerWaalsContact O-CA 3.3Å; L1004-I1008 WeakPolarHBondContact O-CA 3.1Å; L1004-I1008 WeakPolarHBondContact O-CB 3.48Å; L1004-I1008 VanDerWaalsContact O-CD1 3.25Å; L1004-I1008 WeakPolarHBondContact O-CD1 3.35Å; L1004-I1008 WeakPolarHBondContact O-CG1 3.19Å; L1004-I1008 PolarHBondContact O-N 2.78Å; E1006-I1008 VanDerWaalsContact C-N 3.33Å; E1006-I1008 PolarHBondContact O-N 3.4Å; I1008-T1012 WeakPolarHBondContact CG2-OG1 3.45Å; I1008-T1012 VanDerWaalsContact O-CA 3.28Å; I1008-T1012 WeakPolarHBondContact O-CA 3.47Å; I1008-T1012 WeakPolarHBondContact O-CB 3.38Å; I1008-T1012 PolarHBondContact O-N 2.95Å; I1008-T1012 PolarHBondContact O-OG1 3.35Å |
| 1009 | S | 64.5 | Low | 59.4 | Low | 64 Ų | 64 | 104.2 Ų | 104.2 | 45% | 0.448 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70 | -54.3 | 158.1 | -173.6 | 0 | 0 | 0 | 0 | 107.8 | E1005 E1006 L1011 T1012 T1013 | E1005-S1009 WeakPolarHBondContact O-CA 3.48Å; E1005-S1009 WeakPolarHBondContact O-CB 3.29Å; E1005-S1009 PolarHBondContact O-N 2.9Å; E1006-S1009 CarbonylContact O-C 3.53Å; E1006-S1009 PolarHBondContact O-N 3.23Å; S1009-L1011 PolarHBondContact O-N 2.83Å; S1009-T1012 CarbonylContact O-C 3.35Å; S1009-T1012 PolarHBondContact O-N 2.99Å; S1009-T1012 VanDerWaalsContact O-N 3.1Å; S1009-T1013 WeakPolarHBondContact O-CA 3.14Å; S1009-T1013 VanDerWaalsContact O-CB 3.26Å; S1009-T1013 WeakPolarHBondContact O-CB 3.18Å; S1009-T1013 PolarHBondContact O-N 3.41Å; S1009-T1013 PolarHBondContact O-OG1 2.89Å |
| 1010 | D | 60.7 | Low | 59.7 | Low | 100 Ų | 100 | 100.1 Ų | 100.1 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.2 | -46 | 173.2 | -74.1 | -13.6 | 0 | 0 | 0 | 111.7 | E1006 N1014 | E1006-D1010 WeakPolarHBondContact O-CB 3.48Å; E1006-D1010 PolarHBondContact O-N 2.96Å; D1010-N1014 WeakPolarHBondContact O-CB 3.38Å; D1010-N1014 PolarHBondContact O-N 2.98Å; D1010-N1014 PolarHBondContact O-ND2 3.38Å |
| 1011 | L | 58.1 | Low | 59.9 | Low | 111 Ų | 111 | 98 Ų | 98 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -77.2 | -14.7 | 176.8 | -71.2 | 167.5 | 0 | 0 | 0 | 114.1 | R1007 S1009 L1015 | R1007-L1011 WeakPolarHBondContact O-CA 3.09Å; R1007-L1011 WeakPolarHBondContact O-CB 3.33Å; R1007-L1011 WeakPolarHBondContact O-CD1 3.04Å; R1007-L1011 WeakPolarHBondContact O-CG 3.25Å; R1007-L1011 PolarHBondContact O-N 3.45Å; S1009-L1011 PolarHBondContact O-N 2.83Å; L1011-L1015 WeakPolarHBondContact O-CA 3.11Å; L1011-L1015 WeakPolarHBondContact O-CB 3.32Å; L1011-L1015 PolarHBondContact O-N 2.95Å |
| 1012 | T | 67.1 | Low | 60.1 | Low | 68 Ų | 68 | 92.8 Ų | 92.8 | 42% | 0.417 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -107 | 2 | 171.7 | -43.7 | 0 | 0 | 0 | 0 | 112 | I1008 S1009 A1016 | I1008-T1012 WeakPolarHBondContact CG2-OG1 3.45Å; I1008-T1012 VanDerWaalsContact O-CA 3.28Å; I1008-T1012 WeakPolarHBondContact O-CA 3.47Å; I1008-T1012 WeakPolarHBondContact O-CB 3.38Å; I1008-T1012 PolarHBondContact O-N 2.95Å; I1008-T1012 PolarHBondContact O-OG1 3.35Å; S1009-T1012 CarbonylContact O-C 3.35Å; S1009-T1012 PolarHBondContact O-N 2.99Å; S1009-T1012 VanDerWaalsContact O-N 3.1Å; T1012-A1016 WeakPolarHBondContact O-CA 3.32Å; T1012-A1016 WeakPolarHBondContact O-CB 3.19Å; T1012-A1016 PolarHBondContact O-N 3.48Å |
| 1013 | T | 63.8 | Low | 60.4 | Low | 77 Ų | 77 | 90.7 Ų | 90.7 | 47% | 0.472 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -93.1 | -41.2 | 157.7 | -56.7 | 0 | 0 | 0 | 0 | 107.4 | S1009 L1015 A1016 E1017 | S1009-T1013 WeakPolarHBondContact O-CA 3.14Å; S1009-T1013 VanDerWaalsContact O-CB 3.26Å; S1009-T1013 WeakPolarHBondContact O-CB 3.18Å; S1009-T1013 PolarHBondContact O-N 3.41Å; S1009-T1013 PolarHBondContact O-OG1 2.89Å; T1013-L1015 VanDerWaalsContact C-N 3.31Å; T1013-L1015 PolarHBondContact O-N 3.4Å; T1013-A1016 PolarHBondContact O-N 2.83Å; T1013-E1017 WeakPolarHBondContact O-CA 3.31Å; T1013-E1017 WeakPolarHBondContact O-CB 3.42Å; T1013-E1017 WeakPolarHBondContact O-CG 3.4Å; T1013-E1017 PolarHBondContact O-N 3.08Å |
| 1014 | N | 59.7 | Low | 60.5 | Low | 91 Ų | 91 | 88.7 Ų | 88.7 | 49% | 0.487 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.8 | -23.6 | 164.3 | -75.1 | -84.5 | 0 | 0 | 0 | 112.9 | D1010 E1018 | D1010-N1014 WeakPolarHBondContact O-CB 3.38Å; D1010-N1014 PolarHBondContact O-N 2.98Å; D1010-N1014 PolarHBondContact O-ND2 3.38Å; N1014-E1018 WeakPolarHBondContact O-CA 3.24Å; N1014-E1018 WeakPolarHBondContact O-CB 3.32Å; N1014-E1018 WeakPolarHBondContact O-CG 3.44Å; N1014-E1018 PolarHBondContact O-N 3.24Å |
| 1015 | L | 58.9 | Low | 60.5 | Low | 86 Ų | 86 | 89.3 Ų | 89.3 | 45% | 0.45 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -107.4 | 4.7 | 170.9 | -163.4 | 118.2 | 0 | 0 | 0 | 113.4 | L1011 T1013 E1019 | L1011-L1015 WeakPolarHBondContact O-CA 3.11Å; L1011-L1015 WeakPolarHBondContact O-CB 3.32Å; L1011-L1015 PolarHBondContact O-N 2.95Å; T1013-L1015 VanDerWaalsContact C-N 3.31Å; T1013-L1015 PolarHBondContact O-N 3.4Å; L1015-E1019 HydrophobicContact CD2-CG 4.17Å; L1015-E1019 HydrophobicContact CG-CG 4.32Å; L1015-E1019 WeakPolarHBondContact O-CA 3.04Å; L1015-E1019 WeakPolarHBondContact O-CB 3.41Å; L1015-E1019 WeakPolarHBondContact O-CG 3.22Å; L1015-E1019 PolarHBondContact O-N 3.29Å |
| 1016 | A | 61.4 | Low | 60.6 | Low | 51 Ų | 51 | 88.9 Ų | 88.9 | 42% | 0.421 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -92.4 | -23.6 | 151.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | T1012 T1013 E1020 | T1012-A1016 WeakPolarHBondContact O-CA 3.32Å; T1012-A1016 WeakPolarHBondContact O-CB 3.19Å; T1012-A1016 PolarHBondContact O-N 3.48Å; T1013-A1016 PolarHBondContact O-N 2.83Å; A1016-E1020 WeakPolarHBondContact O-CA 3.09Å; A1016-E1020 VanDerWaalsContact O-CB 3.22Å; A1016-E1020 WeakPolarHBondContact O-CB 3.22Å; A1016-E1020 PolarHBondContact O-N 2.91Å |
| 1017 | E | 60.7 | Low | 61 | Low | 104 Ų | 104 | 88.4 Ų | 88.4 | 49% | 0.486 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -76.2 | -39.9 | 160.9 | -78.9 | -165.5 | -170.5 | 0 | 0 | 111.1 | T1013 E1020 K1021 | T1013-E1017 WeakPolarHBondContact O-CA 3.31Å; T1013-E1017 WeakPolarHBondContact O-CB 3.42Å; T1013-E1017 WeakPolarHBondContact O-CG 3.4Å; T1013-E1017 PolarHBondContact O-N 3.08Å; E1017-E1020 CarbonylContact O-C 3.58Å; E1017-K1021 WeakPolarHBondContact O-CA 3.46Å; E1017-K1021 WeakPolarHBondContact O-CB 3.31Å; E1017-K1021 WeakPolarHBondContact O-CD 3.24Å; E1017-K1021 WeakPolarHBondContact O-CG 3.4Å; E1017-K1021 PolarHBondContact O-N 3.35Å; E1017-K1021 IonicContact OE2-NZ 2.94Å; E1017-K1021 PolarHBondContact OE2-NZ 3.41Å |
| 1018 | E | 58.1 | Low | 61 | Low | 90 Ų | 90 | 84.2 Ų | 84.2 | 42% | 0.421 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -81 | -10.8 | 169.3 | -66.3 | -57.8 | 148.1 | 0 | 0 | 112.5 | N1014 K1021 A1022 | N1014-E1018 WeakPolarHBondContact O-CA 3.24Å; N1014-E1018 WeakPolarHBondContact O-CB 3.32Å; N1014-E1018 WeakPolarHBondContact O-CG 3.44Å; N1014-E1018 PolarHBondContact O-N 3.24Å; E1018-K1021 HydrophobicContact CG-CD 4.34Å; E1018-K1021 WeakPolarHBondContact OE1-CD 3.39Å; E1018-K1021 WeakPolarHBondContact OE1-CE 3.11Å; E1018-K1021 IonicContact OE1-NZ 2.64Å; E1018-K1021 PolarHBondContact OE1-NZ 2.83Å; E1018-K1021 WeakPolarHBondContact OE2-CD 2.99Å; E1018-A1022 WeakPolarHBondContact O-CA 3.43Å; E1018-A1022 WeakPolarHBondContact O-CB 3.4Å; E1018-A1022 PolarHBondContact O-N 3.25Å |
| 1019 | E | 59.2 | Low | 61.1 | Low | 87 Ų | 87 | 85 Ų | 85 | 41% | 0.407 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -92.1 | -21.8 | 160.8 | -81.3 | -163.4 | -176.7 | 0 | 0 | 113.9 | L1015 K1023 | L1015-E1019 HydrophobicContact CD2-CG 4.17Å; L1015-E1019 HydrophobicContact CG-CG 4.32Å; L1015-E1019 WeakPolarHBondContact O-CA 3.04Å; L1015-E1019 WeakPolarHBondContact O-CB 3.41Å; L1015-E1019 WeakPolarHBondContact O-CG 3.22Å; L1015-E1019 PolarHBondContact O-N 3.29Å; E1019-K1023 WeakPolarHBondContact O-CA 3.46Å; E1019-K1023 WeakPolarHBondContact O-CB 3.06Å; E1019-K1023 WeakPolarHBondContact O-CD 3.21Å; E1019-K1023 WeakPolarHBondContact O-CG 2.89Å; E1019-K1023 PolarHBondContact O-N 3.21Å; E1019-K1023 WeakPolarHBondContact OE2-CE 3.39Å; E1019-K1023 IonicContact OE2-NZ 2.86Å; E1019-K1023 PolarHBondContact OE2-NZ 2.81Å |
| 1020 | E | 60.7 | Low | 61.2 | Low | 87 Ų | 87 | 86.4 Ų | 86.4 | 41% | 0.407 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -79.7 | -28.8 | 161.6 | -92.2 | -66.6 | 114.2 | 0 | 0 | 109.8 | A1016 E1017 N1024 | A1016-E1020 WeakPolarHBondContact O-CA 3.09Å; A1016-E1020 VanDerWaalsContact O-CB 3.22Å; A1016-E1020 WeakPolarHBondContact O-CB 3.22Å; A1016-E1020 PolarHBondContact O-N 2.91Å; E1017-E1020 CarbonylContact O-C 3.58Å; E1020-N1024 VanDerWaalsContact O-CA 3.24Å; E1020-N1024 WeakPolarHBondContact O-CA 3.23Å; E1020-N1024 WeakPolarHBondContact O-CB 3.01Å; E1020-N1024 PolarHBondContact O-N 3.47Å; E1020-N1024 PolarHBondContact O-ND2 3.33Å; E1020-N1024 PolarHBondContact OE2-ND2 3.19Å |
| 1021 | K | 58.3 | Low | 61.5 | Low | 85 Ų | 85 | 88 Ų | 88 | 37% | 0.37 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -77.4 | -23.2 | 164.8 | -61.1 | 151.7 | -168.9 | 156.8 | 0 | 111 | E1017 E1018 L1025 | E1017-K1021 WeakPolarHBondContact O-CA 3.46Å; E1017-K1021 WeakPolarHBondContact O-CB 3.31Å; E1017-K1021 WeakPolarHBondContact O-CD 3.24Å; E1017-K1021 WeakPolarHBondContact O-CG 3.4Å; E1017-K1021 PolarHBondContact O-N 3.35Å; E1017-K1021 IonicContact OE2-NZ 2.94Å; E1017-K1021 PolarHBondContact OE2-NZ 3.41Å; E1018-K1021 HydrophobicContact CG-CD 4.34Å; E1018-K1021 WeakPolarHBondContact OE1-CD 3.39Å; E1018-K1021 WeakPolarHBondContact OE1-CE 3.11Å; E1018-K1021 IonicContact OE1-NZ 2.64Å; E1018-K1021 PolarHBondContact OE1-NZ 2.83Å; E1018-K1021 WeakPolarHBondContact OE2-CD 2.99Å; K1021-L1025 VanDerWaalsContact O-CA 3.26Å; K1021-L1025 WeakPolarHBondContact O-CA 3.22Å; K1021-L1025 WeakPolarHBondContact O-CB 3.18Å; K1021-L1025 VanDerWaalsContact O-CD1 3.31Å; K1021-L1025 WeakPolarHBondContact O-CD1 2.9Å; K1021-L1025 WeakPolarHBondContact O-CG 3.1Å; K1021-L1025 PolarHBondContact O-N 3.43Å |
| 1022 | A | 58.2 | Low | 61.8 | Low | 40 Ų | 40 | 86.5 Ų | 86.5 | 33% | 0.331 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -88.1 | -26.3 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.9 | E1018 L1025 T1026 | E1018-A1022 WeakPolarHBondContact O-CA 3.43Å; E1018-A1022 WeakPolarHBondContact O-CB 3.4Å; E1018-A1022 PolarHBondContact O-N 3.25Å; A1022-L1025 CarbonylContact O-C 3.31Å; A1022-T1026 WeakPolarHBondContact O-CA 3.03Å; A1022-T1026 WeakPolarHBondContact O-CB 2.92Å; A1022-T1026 PolarHBondContact O-N 3.36Å; A1022-T1026 PolarHBondContact O-OG1 3.03Å |
| 1023 | K | 64.4 | Low | 61.9 | Low | 103 Ų | 103 | 87.6 Ų | 87.6 | 45% | 0.448 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -86.6 | -28 | 169.6 | -68.5 | 163.7 | -167.6 | 149.6 | 0 | 111.1 | E1019 T1026 K1027 | E1019-K1023 WeakPolarHBondContact O-CA 3.46Å; E1019-K1023 WeakPolarHBondContact O-CB 3.06Å; E1019-K1023 WeakPolarHBondContact O-CD 3.21Å; E1019-K1023 WeakPolarHBondContact O-CG 2.89Å; E1019-K1023 PolarHBondContact O-N 3.21Å; E1019-K1023 WeakPolarHBondContact OE2-CE 3.39Å; E1019-K1023 IonicContact OE2-NZ 2.86Å; E1019-K1023 PolarHBondContact OE2-NZ 2.81Å; K1023-T1026 CarbonylContact O-C 3.32Å; K1023-T1026 PolarHBondContact O-N 3.05Å; K1023-K1027 VanDerWaalsContact O-CB 3.25Å; K1023-K1027 WeakPolarHBondContact O-CB 2.88Å; K1023-K1027 WeakPolarHBondContact O-CD 3.08Å; K1023-K1027 WeakPolarHBondContact O-CG 3.28Å; K1023-K1027 PolarHBondContact O-N 3.49Å |
| 1024 | N | 60.3 | Low | 62.3 | Low | 69 Ų | 69 | 87 Ų | 87 | 37% | 0.369 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -78.3 | -28.6 | 159.9 | -60.8 | -51.4 | 0 | 0 | 0 | 111.2 | E1020 T1026 K1027 L1028 | E1020-N1024 VanDerWaalsContact O-CA 3.24Å; E1020-N1024 WeakPolarHBondContact O-CA 3.23Å; E1020-N1024 WeakPolarHBondContact O-CB 3.01Å; E1020-N1024 PolarHBondContact O-N 3.47Å; E1020-N1024 PolarHBondContact O-ND2 3.33Å; E1020-N1024 PolarHBondContact OE2-ND2 3.19Å; N1024-T1026 VanDerWaalsContact C-N 3.26Å; N1024-T1026 PolarHBondContact O-N 3.12Å; N1024-K1027 WeakPolarHBondContact OD1-CD 3.28Å; N1024-L1028 VanDerWaalsContact O-CA 3.23Å; N1024-L1028 WeakPolarHBondContact O-CA 3.07Å; N1024-L1028 WeakPolarHBondContact O-CB 3.03Å; N1024-L1028 PolarHBondContact O-N 3.27Å |
| 1025 | L | 55.1 | Low | 62.6 | Low | 102 Ų | 102 | 86 Ų | 86 | 53% | 0.534 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -75.2 | -11.3 | 163.3 | -78.1 | 162.6 | 0 | 0 | 0 | 112.1 | K1021 A1022 L1028 K1029 | K1021-L1025 VanDerWaalsContact O-CA 3.26Å; K1021-L1025 WeakPolarHBondContact O-CA 3.22Å; K1021-L1025 WeakPolarHBondContact O-CB 3.18Å; K1021-L1025 VanDerWaalsContact O-CD1 3.31Å; K1021-L1025 WeakPolarHBondContact O-CD1 2.9Å; K1021-L1025 WeakPolarHBondContact O-CG 3.1Å; K1021-L1025 PolarHBondContact O-N 3.43Å; A1022-L1025 CarbonylContact O-C 3.31Å; L1025-L1028 HydrophobicContact CD2-CD2 4.34Å; L1025-K1029 VanDerWaalsContact O-CA 3.26Å; L1025-K1029 WeakPolarHBondContact O-CA 3.43Å; L1025-K1029 WeakPolarHBondContact O-CB 2.81Å; L1025-K1029 PolarHBondContact O-N 3.01Å |
| 1026 | T | 62.6 | Low | 63.1 | Low | 72 Ų | 72 | 86.2 Ų | 86.2 | 44% | 0.442 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -98.8 | -28.7 | 171.9 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | A1022 K1023 N1024 N1030 | A1022-T1026 WeakPolarHBondContact O-CA 3.03Å; A1022-T1026 WeakPolarHBondContact O-CB 2.92Å; A1022-T1026 PolarHBondContact O-N 3.36Å; A1022-T1026 PolarHBondContact O-OG1 3.03Å; K1023-T1026 CarbonylContact O-C 3.32Å; K1023-T1026 PolarHBondContact O-N 3.05Å; N1024-T1026 VanDerWaalsContact C-N 3.26Å; N1024-T1026 PolarHBondContact O-N 3.12Å; T1026-N1030 WeakPolarHBondContact O-CA 3.33Å; T1026-N1030 WeakPolarHBondContact O-CB 3.09Å; T1026-N1030 PolarHBondContact O-N 2.74Å; T1026-N1030 PolarHBondContact O-OD1 2.7Å |
| 1027 | K | 65.3 | Low | 63.7 | Low | 122 Ų | 122 | 86.8 Ų | 86.8 | 53% | 0.53 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -71.5 | -36.7 | 161.5 | -70.7 | 162 | -174 | 163.7 | 0 | 110.2 | K1023 N1024 K1031 | K1023-K1027 VanDerWaalsContact O-CB 3.25Å; K1023-K1027 WeakPolarHBondContact O-CB 2.88Å; K1023-K1027 WeakPolarHBondContact O-CD 3.08Å; K1023-K1027 WeakPolarHBondContact O-CG 3.28Å; K1023-K1027 PolarHBondContact O-N 3.49Å; N1024-K1027 WeakPolarHBondContact OD1-CD 3.28Å; K1027-K1031 WeakPolarHBondContact O-CA 2.95Å; K1027-K1031 WeakPolarHBondContact O-CB 2.81Å; K1027-K1031 PolarHBondContact O-N 3.14Å |
| 1028 | L | 60.3 | Low | 64.2 | Low | 72 Ų | 72 | 86.7 Ų | 86.7 | 38% | 0.377 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -80.9 | -27 | 173.8 | -163.7 | 81.1 | 0 | 0 | 0 | 110.9 | N1024 L1025 K1031 H1032 | N1024-L1028 VanDerWaalsContact O-CA 3.23Å; N1024-L1028 WeakPolarHBondContact O-CA 3.07Å; N1024-L1028 WeakPolarHBondContact O-CB 3.03Å; N1024-L1028 PolarHBondContact O-N 3.27Å; L1025-L1028 HydrophobicContact CD2-CD2 4.34Å; L1028-K1031 CarbonylContact O-C 3.59Å; L1028-H1032 WeakPolarHBondContact CG-NE2 3.48Å; L1028-H1032 VanDerWaalsContact O-CA 3.31Å; L1028-H1032 WeakPolarHBondContact O-CA 3.39Å; L1028-H1032 WeakPolarHBondContact O-CB 3.37Å; L1028-H1032 PolarHBondContact O-CD2 3.1Å; L1028-H1032 VanDerWaalsContact O-CD2 3.29Å; L1028-H1032 PolarHBondContact O-N 3.02Å |
| 1029 | K | 65.1 | Low | 64.4 | Low | 104 Ų | 104 | 86.6 Ų | 86.6 | 45% | 0.452 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -74.4 | -38 | 164.9 | 177.2 | 175.2 | 179.4 | -75.9 | 0 | 111.2 | L1025 K1031 H1032 E1033 | L1025-K1029 VanDerWaalsContact O-CA 3.26Å; L1025-K1029 WeakPolarHBondContact O-CA 3.43Å; L1025-K1029 WeakPolarHBondContact O-CB 2.81Å; L1025-K1029 PolarHBondContact O-N 3.01Å; K1029-K1031 VanDerWaalsContact C-N 3.3Å; K1029-K1031 PolarHBondContact O-N 3.32Å; K1029-H1032 CarbonylContact O-C 3.56Å; K1029-H1032 VanDerWaalsContact O-C 3.24Å; K1029-H1032 WeakPolarHBondContact O-CA 3.23Å; K1029-H1032 PolarHBondContact O-N 3.49Å; K1029-H1032 VanDerWaalsContact O-N 3.15Å; K1029-E1033 VanDerWaalsContact CE-OE1 3.23Å; K1029-E1033 WeakPolarHBondContact CE-OE1 3.38Å; K1029-E1033 HydrophobicContact CG-CG 4.15Å; K1029-E1033 IonicContact NZ-OE1 3.15Å; K1029-E1033 PolarHBondContact NZ-OE1 2.72Å; K1029-E1033 IonicContact NZ-OE2 3.16Å; K1029-E1033 PolarHBondContact NZ-OE2 3.35Å; K1029-E1033 WeakPolarHBondContact O-CA 3.32Å; K1029-E1033 VanDerWaalsContact O-CB 3.22Å; K1029-E1033 WeakPolarHBondContact O-CB 3Å; K1029-E1033 WeakPolarHBondContact O-CG 2.94Å; K1029-E1033 PolarHBondContact O-N 2.96Å |
| 1030 | N | 67.2 | Low | 64.9 | Low | 93 Ų | 93 | 87.5 Ų | 87.5 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -73.3 | -26 | 172.4 | -67.6 | 3.6 | 0 | 0 | 0 | 111.4 | T1026 S1034 | T1026-N1030 WeakPolarHBondContact O-CA 3.33Å; T1026-N1030 WeakPolarHBondContact O-CB 3.09Å; T1026-N1030 PolarHBondContact O-N 2.74Å; T1026-N1030 PolarHBondContact O-OD1 2.7Å; N1030-S1034 WeakPolarHBondContact O-CA 3.44Å; N1030-S1034 WeakPolarHBondContact O-CB 3.35Å; N1030-S1034 PolarHBondContact O-N 3.21Å |
| 1031 | K | 66.2 | Low | 65.5 | Low | 133 Ų | 133 | 87.9 Ų | 87.9 | 58% | 0.578 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -84.1 | -14.4 | 168 | -169.8 | 176.4 | -177.1 | 178.4 | 0 | 112 | K1027 L1028 K1029 M1035 | K1027-K1031 WeakPolarHBondContact O-CA 2.95Å; K1027-K1031 WeakPolarHBondContact O-CB 2.81Å; K1027-K1031 PolarHBondContact O-N 3.14Å; L1028-K1031 CarbonylContact O-C 3.59Å; K1029-K1031 VanDerWaalsContact C-N 3.3Å; K1029-K1031 PolarHBondContact O-N 3.32Å; K1031-M1035 HydrophobicContact CG-SD 4.43Å; K1031-M1035 WeakPolarHBondContact O-CA 3.49Å; K1031-M1035 WeakPolarHBondContact O-CB 2.86Å; K1031-M1035 WeakPolarHBondContact O-CG 3.28Å; K1031-M1035 PolarHBondContact O-N 2.89Å |
| 1032 | H | 64.5 | Low | 65.9 | Low | 81 Ų | 81 | 90.5 Ų | 90.5 | 38% | 0.375 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -97.2 | -9.6 | 167.4 | -69.7 | -22.5 | 0 | 0 | 0 | 112.1 | L1028 K1029 I1036 | L1028-H1032 WeakPolarHBondContact CG-NE2 3.48Å; L1028-H1032 VanDerWaalsContact O-CA 3.31Å; L1028-H1032 WeakPolarHBondContact O-CA 3.39Å; L1028-H1032 WeakPolarHBondContact O-CB 3.37Å; L1028-H1032 PolarHBondContact O-CD2 3.1Å; L1028-H1032 VanDerWaalsContact O-CD2 3.29Å; L1028-H1032 PolarHBondContact O-N 3.02Å; K1029-H1032 CarbonylContact O-C 3.56Å; K1029-H1032 VanDerWaalsContact O-C 3.24Å; K1029-H1032 WeakPolarHBondContact O-CA 3.23Å; K1029-H1032 PolarHBondContact O-N 3.49Å; K1029-H1032 VanDerWaalsContact O-N 3.15Å; H1032-I1036 VanDerWaalsContact O-CA 3.31Å; H1032-I1036 WeakPolarHBondContact O-CA 3.14Å; H1032-I1036 WeakPolarHBondContact O-CB 3.11Å; H1032-I1036 WeakPolarHBondContact O-CD1 3.43Å; H1032-I1036 WeakPolarHBondContact O-CG1 3.16Å; H1032-I1036 PolarHBondContact O-N 3.16Å |
| 1033 | E | 70.3 | Confident | 66.2 | Low | 90 Ų | 90 | 92.8 Ų | 92.8 | 42% | 0.421 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -99.5 | -29.2 | 168.6 | -77.2 | 178.7 | 157.5 | 0 | 0 | 108.9 | K1029 S1037 | K1029-E1033 VanDerWaalsContact CE-OE1 3.23Å; K1029-E1033 WeakPolarHBondContact CE-OE1 3.38Å; K1029-E1033 HydrophobicContact CG-CG 4.15Å; K1029-E1033 IonicContact NZ-OE1 3.15Å; K1029-E1033 PolarHBondContact NZ-OE1 2.72Å; K1029-E1033 IonicContact NZ-OE2 3.16Å; K1029-E1033 PolarHBondContact NZ-OE2 3.35Å; K1029-E1033 WeakPolarHBondContact O-CA 3.32Å; K1029-E1033 VanDerWaalsContact O-CB 3.22Å; K1029-E1033 WeakPolarHBondContact O-CB 3Å; K1029-E1033 WeakPolarHBondContact O-CG 2.94Å; K1029-E1033 PolarHBondContact O-N 2.96Å; E1033-S1037 WeakPolarHBondContact O-CB 3.04Å; E1033-S1037 PolarHBondContact O-N 2.76Å |
| 1034 | S | 71.6 | Confident | 66.6 | Low | 66 Ų | 66 | 94.5 Ų | 94.5 | 46% | 0.462 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.9 | -46.1 | 157.1 | -167.2 | 0 | 0 | 0 | 0 | 110.5 | N1030 S1037 E1038 | N1030-S1034 WeakPolarHBondContact O-CA 3.44Å; N1030-S1034 WeakPolarHBondContact O-CB 3.35Å; N1030-S1034 PolarHBondContact O-N 3.21Å; S1034-S1037 CarbonylContact O-C 3.54Å; S1034-S1037 PolarHBondContact O-N 3.31Å; S1034-E1038 VanDerWaalsContact O-CB 3.32Å; S1034-E1038 WeakPolarHBondContact O-CB 2.92Å; S1034-E1038 WeakPolarHBondContact O-CG 3.33Å; S1034-E1038 PolarHBondContact O-N 2.92Å |
| 1035 | M | 65.8 | Low | 67.1 | Low | 70 Ų | 70 | 98.6 Ų | 98.6 | 35% | 0.345 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.3 | -24.2 | 170 | -73.4 | 165.9 | 55.5 | 0 | 0 | 112.9 | K1031 E1038 L1039 | K1031-M1035 HydrophobicContact CG-SD 4.43Å; K1031-M1035 WeakPolarHBondContact O-CA 3.49Å; K1031-M1035 WeakPolarHBondContact O-CB 2.86Å; K1031-M1035 WeakPolarHBondContact O-CG 3.28Å; K1031-M1035 PolarHBondContact O-N 2.89Å; M1035-E1038 CarbonylContact O-C 3.3Å; M1035-L1039 HydrophobicContact CB-CD1 4.43Å; M1035-L1039 VanDerWaalsContact O-CA 3.3Å; M1035-L1039 WeakPolarHBondContact O-CA 3.04Å; M1035-L1039 WeakPolarHBondContact O-CB 2.79Å; M1035-L1039 WeakPolarHBondContact O-CD1 3.39Å; M1035-L1039 WeakPolarHBondContact O-CG 3.31Å; M1035-L1039 PolarHBondContact O-N 2.79Å |
| 1036 | I | 69.2 | Low | 67.4 | Low | 89 Ų | 89 | 98.3 Ų | 98.3 | 46% | 0.456 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.3 | -35.4 | 169.1 | -79.4 | 161.5 | 0 | 0 | 0 | 109.4 | H1032 L1039 E1040 | H1032-I1036 VanDerWaalsContact O-CA 3.31Å; H1032-I1036 WeakPolarHBondContact O-CA 3.14Å; H1032-I1036 WeakPolarHBondContact O-CB 3.11Å; H1032-I1036 WeakPolarHBondContact O-CD1 3.43Å; H1032-I1036 WeakPolarHBondContact O-CG1 3.16Å; H1032-I1036 PolarHBondContact O-N 3.16Å; I1036-L1039 CarbonylContact O-C 3.59Å; I1036-L1039 VanDerWaalsContact O-C 3.24Å; I1036-L1039 PolarHBondContact O-N 3.4Å; I1036-E1040 HydrophobicContact CG2-CG 4.05Å; I1036-E1040 WeakPolarHBondContact O-CA 3.35Å; I1036-E1040 WeakPolarHBondContact O-CB 3.45Å; I1036-E1040 VanDerWaalsContact O-CG 3.22Å; I1036-E1040 WeakPolarHBondContact O-CG 3.48Å; I1036-E1040 PolarHBondContact O-N 3.49Å |
| 1037 | S | 74.7 | Confident | 67.7 | Low | 64 Ų | 64 | 99.3 Ų | 99.3 | 45% | 0.448 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.5 | -40.6 | 170.7 | -174.2 | 0 | 0 | 0 | 0 | 111.7 | E1033 S1034 E1040 V1041 | E1033-S1037 WeakPolarHBondContact O-CB 3.04Å; E1033-S1037 PolarHBondContact O-N 2.76Å; S1034-S1037 CarbonylContact O-C 3.54Å; S1034-S1037 PolarHBondContact O-N 3.31Å; S1037-E1040 PolarHBondContact O-N 3.39Å; S1037-V1041 VanDerWaalsContact O-CB 3.25Å; S1037-V1041 WeakPolarHBondContact O-CB 3.23Å; S1037-V1041 VanDerWaalsContact O-CG2 3.26Å; S1037-V1041 WeakPolarHBondContact O-CG2 3.46Å; S1037-V1041 PolarHBondContact O-N 2.87Å |
| 1038 | E | 70.2 | Confident | 68 | Low | 102 Ų | 102 | 99.9 Ų | 99.9 | 48% | 0.477 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74 | -22.2 | 170.7 | -71.5 | -167.8 | 142.8 | 0 | 0 | 112.7 | S1034 M1035 R1042 | S1034-E1038 VanDerWaalsContact O-CB 3.32Å; S1034-E1038 WeakPolarHBondContact O-CB 2.92Å; S1034-E1038 WeakPolarHBondContact O-CG 3.33Å; S1034-E1038 PolarHBondContact O-N 2.92Å; M1035-E1038 CarbonylContact O-C 3.3Å; E1038-R1042 VanDerWaalsContact O-CA 3.29Å; E1038-R1042 WeakPolarHBondContact O-CA 3.31Å; E1038-R1042 WeakPolarHBondContact O-CB 3.11Å; E1038-R1042 WeakPolarHBondContact O-CG 3.09Å; E1038-R1042 PolarHBondContact O-N 2.76Å |
| 1039 | L | 62.8 | Low | 68 | Low | 88 Ų | 88 | 98 Ų | 98 | 46% | 0.461 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -91.9 | -3.5 | 169.6 | -69.4 | 165.3 | 0 | 0 | 0 | 112.1 | M1035 I1036 L1043 | M1035-L1039 HydrophobicContact CB-CD1 4.43Å; M1035-L1039 VanDerWaalsContact O-CA 3.3Å; M1035-L1039 WeakPolarHBondContact O-CA 3.04Å; M1035-L1039 WeakPolarHBondContact O-CB 2.79Å; M1035-L1039 WeakPolarHBondContact O-CD1 3.39Å; M1035-L1039 WeakPolarHBondContact O-CG 3.31Å; M1035-L1039 PolarHBondContact O-N 2.79Å; I1036-L1039 CarbonylContact O-C 3.59Å; I1036-L1039 VanDerWaalsContact O-C 3.24Å; I1036-L1039 PolarHBondContact O-N 3.4Å; L1039-L1043 VanDerWaalsContact C-N 3.34Å; L1039-L1043 VanDerWaalsContact O-CA 3.31Å; L1039-L1043 WeakPolarHBondContact O-CA 3.29Å; L1039-L1043 WeakPolarHBondContact O-CB 3.43Å; L1039-L1043 PolarHBondContact O-N 3.41Å |
| 1040 | E | 71 | Confident | 67.9 | Low | 105 Ų | 105 | 99.8 Ų | 99.8 | 49% | 0.491 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -101.6 | -31.1 | 169.4 | -84.7 | -175.8 | -170.3 | 0 | 0 | 110.2 | I1036 S1037 K1044 | I1036-E1040 HydrophobicContact CG2-CG 4.05Å; I1036-E1040 WeakPolarHBondContact O-CA 3.35Å; I1036-E1040 WeakPolarHBondContact O-CB 3.45Å; I1036-E1040 VanDerWaalsContact O-CG 3.22Å; I1036-E1040 WeakPolarHBondContact O-CG 3.48Å; I1036-E1040 PolarHBondContact O-N 3.49Å; S1037-E1040 PolarHBondContact O-N 3.39Å; E1040-K1044 WeakPolarHBondContact O-CB 3.25Å; E1040-K1044 WeakPolarHBondContact O-CG 3.49Å; E1040-K1044 PolarHBondContact O-N 2.93Å |
| 1041 | V | 73.1 | Confident | 68.1 | Low | 96 Ų | 96 | 101.6 Ų | 101.6 | 58% | 0.582 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -80 | -37.7 | 166.2 | 173.2 | 0 | 0 | 0 | 0 | 109.8 | S1037 K1045 | S1037-V1041 VanDerWaalsContact O-CB 3.25Å; S1037-V1041 WeakPolarHBondContact O-CB 3.23Å; S1037-V1041 VanDerWaalsContact O-CG2 3.26Å; S1037-V1041 WeakPolarHBondContact O-CG2 3.46Å; S1037-V1041 PolarHBondContact O-N 2.87Å; V1041-K1045 WeakPolarHBondContact O-CB 3.43Å; V1041-K1045 PolarHBondContact O-N 3.19Å |
| 1042 | R | 66.7 | Low | 68.2 | Low | 140 Ų | 140 | 101 Ų | 101 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.4 | -59.1 | 158.2 | -73 | 170 | 178.1 | 155.2 | 2.3 | 108.4 | E1038 K1044 K1045 E1046 | E1038-R1042 VanDerWaalsContact O-CA 3.29Å; E1038-R1042 WeakPolarHBondContact O-CA 3.31Å; E1038-R1042 WeakPolarHBondContact O-CB 3.11Å; E1038-R1042 WeakPolarHBondContact O-CG 3.09Å; E1038-R1042 PolarHBondContact O-N 2.76Å; R1042-K1044 CarbonylContact O-C 3.01Å; R1042-K1044 PolarHBondContact O-N 3.31Å; R1042-K1045 CarbonylContact O-C 3.48Å; R1042-K1045 WeakPolarHBondContact O-CA 3.5Å; R1042-K1045 WeakPolarHBondContact O-CB 3.48Å; R1042-K1045 PolarHBondContact O-N 2.91Å; R1042-E1046 WeakPolarHBondContact O-CA 3Å; R1042-E1046 VanDerWaalsContact O-CB 3.22Å; R1042-E1046 WeakPolarHBondContact O-CB 2.94Å; R1042-E1046 PolarHBondContact O-N 3.13Å |
| 1043 | L | 64.4 | Low | 68 | Low | 87 Ų | 87 | 100.7 Ų | 100.7 | 46% | 0.455 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -52.7 | -32.6 | 179.9 | -178.6 | 66.8 | 0 | 0 | 0 | 113.7 | L1039 E1046 E1047 | L1039-L1043 VanDerWaalsContact C-N 3.34Å; L1039-L1043 VanDerWaalsContact O-CA 3.31Å; L1039-L1043 WeakPolarHBondContact O-CA 3.29Å; L1039-L1043 WeakPolarHBondContact O-CB 3.43Å; L1039-L1043 PolarHBondContact O-N 3.41Å; L1043-E1046 CarbonylContact O-C 3.33Å; L1043-E1046 PolarHBondContact O-N 2.96Å; L1043-E1047 HydrophobicContact CD1-CG 4.19Å; L1043-E1047 HydrophobicContact CG-CG 4.21Å; L1043-E1047 WeakPolarHBondContact O-CA 3.34Å; L1043-E1047 WeakPolarHBondContact O-CB 3.48Å; L1043-E1047 WeakPolarHBondContact O-CG 3.42Å; L1043-E1047 PolarHBondContact O-N 3.34Å |
| 1044 | K | 71.9 | Confident | 67.9 | Low | 139 Ų | 139 | 100.6 Ų | 100.6 | 60% | 0.604 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -74.1 | -33.1 | 170.1 | -82.4 | 170.9 | 178.1 | 153.7 | 0 | 114.1 | E1040 R1042 E1046 K1048 | E1040-K1044 WeakPolarHBondContact O-CB 3.25Å; E1040-K1044 WeakPolarHBondContact O-CG 3.49Å; E1040-K1044 PolarHBondContact O-N 2.93Å; R1042-K1044 CarbonylContact O-C 3.01Å; R1042-K1044 PolarHBondContact O-N 3.31Å; K1044-E1046 VanDerWaalsContact C-N 3.3Å; K1044-K1048 WeakPolarHBondContact O-CB 2.95Å; K1044-K1048 PolarHBondContact O-N 2.98Å |
| 1045 | K | 71.4 | Confident | 68 | Low | 155 Ų | 155 | 105.2 Ų | 105.2 | 67% | 0.674 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -76.8 | -14.6 | 168 | -162.8 | 178.9 | -177.4 | -173.3 | 0 | 112.7 | V1041 R1042 S1049 | V1041-K1045 WeakPolarHBondContact O-CB 3.43Å; V1041-K1045 PolarHBondContact O-N 3.19Å; R1042-K1045 CarbonylContact O-C 3.48Å; R1042-K1045 WeakPolarHBondContact O-CA 3.5Å; R1042-K1045 WeakPolarHBondContact O-CB 3.48Å; R1042-K1045 PolarHBondContact O-N 2.91Å; K1045-S1049 WeakPolarHBondContact O-CA 3.03Å; K1045-S1049 WeakPolarHBondContact O-CB 3.4Å; K1045-S1049 PolarHBondContact O-N 2.99Å; K1045-S1049 PolarHBondContact O-OG 3.38Å; K1045-S1049 VanDerWaalsContact O-OG 3.14Å |
| 1046 | E | 61.3 | Low | 67.8 | Low | 96 Ų | 96 | 105.8 Ų | 105.8 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -101.4 | -16.8 | 178.5 | -141 | 80.9 | -141.2 | 0 | 0 | 110.9 | R1042 L1043 K1044 S1049 R1050 | R1042-E1046 WeakPolarHBondContact O-CA 3Å; R1042-E1046 VanDerWaalsContact O-CB 3.22Å; R1042-E1046 WeakPolarHBondContact O-CB 2.94Å; R1042-E1046 PolarHBondContact O-N 3.13Å; L1043-E1046 CarbonylContact O-C 3.33Å; L1043-E1046 PolarHBondContact O-N 2.96Å; K1044-E1046 VanDerWaalsContact C-N 3.3Å; E1046-S1049 VanDerWaalsContact CA-OG 3.29Å; E1046-S1049 WeakPolarHBondContact CA-OG 3.11Å; E1046-S1049 CarbonylContact O-C 3.56Å; E1046-R1050 VanDerWaalsContact C-N 3.32Å; E1046-R1050 WeakPolarHBondContact O-CA 2.92Å; E1046-R1050 WeakPolarHBondContact O-CB 2.88Å; E1046-R1050 WeakPolarHBondContact O-CG 3.37Å; E1046-R1050 PolarHBondContact O-N 3.44Å |
| 1047 | E | 68.2 | Low | 67.7 | Low | 94 Ų | 94 | 106.8 Ų | 106.8 | 44% | 0.439 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -87.9 | -41.4 | 166.3 | -85.4 | -178.8 | 147.4 | 0 | 0 | 108.5 | L1043 R1050 Q1051 | L1043-E1047 HydrophobicContact CD1-CG 4.19Å; L1043-E1047 HydrophobicContact CG-CG 4.21Å; L1043-E1047 WeakPolarHBondContact O-CA 3.34Å; L1043-E1047 WeakPolarHBondContact O-CB 3.48Å; L1043-E1047 WeakPolarHBondContact O-CG 3.42Å; L1043-E1047 PolarHBondContact O-N 3.34Å; E1047-R1050 CarbonylContact O-C 3.52Å; E1047-R1050 VanDerWaalsContact O-C 3.32Å; E1047-R1050 WeakPolarHBondContact O-CA 2.95Å; E1047-R1050 PolarHBondContact O-N 3.39Å; E1047-R1050 VanDerWaalsContact O-N 3.16Å; E1047-Q1051 WeakPolarHBondContact O-CG 3.24Å; E1047-Q1051 PolarHBondContact O-N 2.97Å |
| 1048 | K | 71.9 | Confident | 67.5 | Low | 134 Ų | 134 | 112.8 Ų | 112.8 | 58% | 0.583 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -72.3 | -40.3 | 168.9 | -161.2 | 174.8 | -175.1 | -175.1 | 0 | 110.8 | K1044 R1050 Q1051 E1052 | K1044-K1048 WeakPolarHBondContact O-CB 2.95Å; K1044-K1048 PolarHBondContact O-N 2.98Å; K1048-R1050 VanDerWaalsContact C-N 3.28Å; K1048-Q1051 PolarHBondContact O-N 3.14Å; K1048-E1052 PolarHBondContact O-N 3.32Å |
| 1049 | S | 60.2 | Low | 67.6 | Low | 32 Ų | 32 | 113.9 Ų | 113.9 | 22% | 0.224 | 52% | 0.518 | C | S | . | . | H | α-helix | trans | -75.6 | -8 | 163 | 90.6 | 0 | 0 | 0 | 0 | 113.1 | K1045 E1046 L1053 | K1045-S1049 WeakPolarHBondContact O-CA 3.03Å; K1045-S1049 WeakPolarHBondContact O-CB 3.4Å; K1045-S1049 PolarHBondContact O-N 2.99Å; K1045-S1049 PolarHBondContact O-OG 3.38Å; K1045-S1049 VanDerWaalsContact O-OG 3.14Å; E1046-S1049 VanDerWaalsContact CA-OG 3.29Å; E1046-S1049 WeakPolarHBondContact CA-OG 3.11Å; E1046-S1049 CarbonylContact O-C 3.56Å; S1049-L1053 VanDerWaalsContact O-CA 3.22Å; S1049-L1053 WeakPolarHBondContact O-CA 2.83Å; S1049-L1053 WeakPolarHBondContact O-CB 3.3Å; S1049-L1053 VanDerWaalsContact O-CD1 3.28Å; S1049-L1053 WeakPolarHBondContact O-CD1 3.25Å; S1049-L1053 WeakPolarHBondContact O-CG 2.82Å; S1049-L1053 PolarHBondContact O-N 3.42Å |
| 1050 | R | 63.3 | Low | 67.4 | Low | 141 Ų | 141 | 113.5 Ų | 113.5 | 53% | 0.532 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -85.5 | -16.7 | 159.5 | -99.5 | -177.7 | 62.4 | -167.2 | -4.5 | 113.7 | E1046 E1047 K1048 L1053 E1054 | E1046-R1050 VanDerWaalsContact C-N 3.32Å; E1046-R1050 WeakPolarHBondContact O-CA 2.92Å; E1046-R1050 WeakPolarHBondContact O-CB 2.88Å; E1046-R1050 WeakPolarHBondContact O-CG 3.37Å; E1046-R1050 PolarHBondContact O-N 3.44Å; E1047-R1050 CarbonylContact O-C 3.52Å; E1047-R1050 VanDerWaalsContact O-C 3.32Å; E1047-R1050 WeakPolarHBondContact O-CA 2.95Å; E1047-R1050 PolarHBondContact O-N 3.39Å; E1047-R1050 VanDerWaalsContact O-N 3.16Å; K1048-R1050 VanDerWaalsContact C-N 3.28Å; R1050-L1053 CarbonylContact O-C 3.54Å; R1050-E1054 IonicContact CZ-OE1 3.48Å; R1050-E1054 IonicContact NE-OE1 3.35Å; R1050-E1054 IonicContact NH2-OE1 3.4Å; R1050-E1054 PolarHBondContact NH2-OE1 2.97Å; R1050-E1054 WeakPolarHBondContact O-CA 3.33Å; R1050-E1054 WeakPolarHBondContact O-CB 2.84Å; R1050-E1054 WeakPolarHBondContact O-CG 3.34Å; R1050-E1054 PolarHBondContact O-N 2.79Å |
| 1051 | Q | 70.6 | Confident | 67.3 | Low | 131 Ų | 131 | 113 Ų | 113 | 61% | 0.612 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -85.8 | -34.1 | 168.3 | -75.6 | 179.6 | 9.5 | 0 | 0 | 110.2 | E1047 K1048 E1054 K1055 | E1047-Q1051 WeakPolarHBondContact O-CG 3.24Å; E1047-Q1051 PolarHBondContact O-N 2.97Å; K1048-Q1051 PolarHBondContact O-N 3.14Å; Q1051-E1054 PolarHBondContact O-N 3.02Å; Q1051-K1055 WeakPolarHBondContact O-CG 2.86Å; Q1051-K1055 PolarHBondContact O-N 2.92Å |
| 1052 | E | 69.4 | Low | 67.3 | Low | 122 Ų | 122 | 109.8 Ų | 109.8 | 57% | 0.57 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -76.4 | -32.5 | 167.1 | -68.5 | 174.3 | -178.2 | 0 | 0 | 111.4 | K1048 E1054 K1055 L1056 | K1048-E1052 PolarHBondContact O-N 3.32Å; E1052-E1054 VanDerWaalsContact C-N 3.34Å; E1052-K1055 CarbonylContact O-C 3.53Å; E1052-L1056 WeakPolarHBondContact O-CA 3.17Å; E1052-L1056 WeakPolarHBondContact O-CB 2.97Å; E1052-L1056 PolarHBondContact O-N 3.45Å |
| 1053 | L | 59.9 | Low | 67.3 | Low | 74 Ų | 74 | 105.6 Ų | 105.6 | 39% | 0.387 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -82 | 2.6 | 161.6 | -68.2 | 158.8 | 0 | 0 | 0 | 112.8 | S1049 R1050 L1056 K1057 | S1049-L1053 VanDerWaalsContact O-CA 3.22Å; S1049-L1053 WeakPolarHBondContact O-CA 2.83Å; S1049-L1053 WeakPolarHBondContact O-CB 3.3Å; S1049-L1053 VanDerWaalsContact O-CD1 3.28Å; S1049-L1053 WeakPolarHBondContact O-CD1 3.25Å; S1049-L1053 WeakPolarHBondContact O-CG 2.82Å; S1049-L1053 PolarHBondContact O-N 3.42Å; R1050-L1053 CarbonylContact O-C 3.54Å; L1053-L1056 HydrophobicContact CD2-CB 4.42Å; L1053-L1056 HydrophobicContact CD2-CD2 4.01Å; L1053-K1057 VanDerWaalsContact O-CA 3.3Å; L1053-K1057 WeakPolarHBondContact O-CA 2.98Å; L1053-K1057 WeakPolarHBondContact O-CB 3.44Å; L1053-K1057 PolarHBondContact O-N 3.12Å |
| 1054 | E | 68.8 | Low | 67.2 | Low | 88 Ų | 88 | 103 Ų | 103 | 41% | 0.411 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -100.1 | -24.8 | 163.2 | -88 | 169.1 | -162.7 | 0 | 0 | 109.8 | R1050 Q1051 E1052 R1058 | R1050-E1054 IonicContact CZ-OE1 3.48Å; R1050-E1054 IonicContact NE-OE1 3.35Å; R1050-E1054 IonicContact NH2-OE1 3.4Å; R1050-E1054 PolarHBondContact NH2-OE1 2.97Å; R1050-E1054 WeakPolarHBondContact O-CA 3.33Å; R1050-E1054 WeakPolarHBondContact O-CB 2.84Å; R1050-E1054 WeakPolarHBondContact O-CG 3.34Å; R1050-E1054 PolarHBondContact O-N 2.79Å; Q1051-E1054 PolarHBondContact O-N 3.02Å; E1052-E1054 VanDerWaalsContact C-N 3.34Å; E1054-R1058 VanDerWaalsContact O-CB 3.23Å; E1054-R1058 WeakPolarHBondContact O-CB 3.22Å; E1054-R1058 WeakPolarHBondContact O-CG 3.4Å; E1054-R1058 PolarHBondContact O-N 2.96Å |
| 1055 | K | 72.7 | Confident | 67.4 | Low | 163 Ų | 163 | 99.5 Ų | 99.5 | 71% | 0.709 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -72.3 | -41.4 | 159.5 | -74.7 | 177.1 | 178.1 | 175.8 | 0 | 111.7 | Q1051 E1052 R1058 K1059 | Q1051-K1055 WeakPolarHBondContact O-CG 2.86Å; Q1051-K1055 PolarHBondContact O-N 2.92Å; E1052-K1055 CarbonylContact O-C 3.53Å; K1055-R1058 CarbonylContact O-C 3.51Å; K1055-R1058 PolarHBondContact O-N 3.29Å; K1055-K1059 WeakPolarHBondContact O-CB 3.13Å; K1055-K1059 PolarHBondContact O-N 2.93Å |
| 1056 | L | 63.2 | Low | 67.4 | Low | 82 Ų | 82 | 96.4 Ų | 96.4 | 43% | 0.429 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -83.8 | -14.9 | 175.1 | -155 | 84 | 0 | 0 | 0 | 111.7 | E1052 L1053 K1059 L1060 | E1052-L1056 WeakPolarHBondContact O-CA 3.17Å; E1052-L1056 WeakPolarHBondContact O-CB 2.97Å; E1052-L1056 PolarHBondContact O-N 3.45Å; L1053-L1056 HydrophobicContact CD2-CB 4.42Å; L1053-L1056 HydrophobicContact CD2-CD2 4.01Å; L1056-K1059 HydrophobicContact CD1-CB 4.34Å; L1056-K1059 HydrophobicContact CD1-CD 4.37Å; L1056-K1059 CarbonylContact O-C 3.38Å; L1056-L1060 HydrophobicContact CD2-CD1 4.21Å; L1056-L1060 HydrophobicContact CG-CD1 4.22Å; L1056-L1060 WeakPolarHBondContact O-CA 3.08Å; L1056-L1060 WeakPolarHBondContact O-CB 3.45Å; L1056-L1060 VanDerWaalsContact O-CD1 3.3Å; L1056-L1060 WeakPolarHBondContact O-CD1 3.47Å; L1056-L1060 WeakPolarHBondContact O-CG 3.29Å; L1056-L1060 PolarHBondContact O-N 2.87Å |
| 1057 | K | 66 | Low | 67.7 | Low | 110 Ų | 110 | 96.8 Ų | 96.8 | 48% | 0.478 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -85.1 | -28.1 | 161.1 | 178.2 | 174.6 | 173.5 | -70.6 | 0 | 111.9 | L1053 K1059 L1060 E1061 | L1053-K1057 VanDerWaalsContact O-CA 3.3Å; L1053-K1057 WeakPolarHBondContact O-CA 2.98Å; L1053-K1057 WeakPolarHBondContact O-CB 3.44Å; L1053-K1057 PolarHBondContact O-N 3.12Å; K1057-K1059 VanDerWaalsContact C-N 3.27Å; K1057-L1060 CarbonylContact O-C 3.6Å; K1057-L1060 PolarHBondContact O-N 3.47Å; K1057-E1061 HydrophobicContact CG-CG 4.12Å; K1057-E1061 IonicContact NZ-OE1 2.69Å; K1057-E1061 PolarHBondContact NZ-OE1 3.33Å; K1057-E1061 WeakPolarHBondContact O-CA 3.02Å; K1057-E1061 WeakPolarHBondContact O-CB 3.36Å; K1057-E1061 VanDerWaalsContact O-CD 3.28Å; K1057-E1061 WeakPolarHBondContact O-CG 3.16Å; K1057-E1061 PolarHBondContact O-N 2.96Å |
| 1058 | R | 70.4 | Confident | 67.9 | Low | 189 Ų | 189 | 98.7 Ų | 98.7 | 71% | 0.713 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.5 | -33.2 | 161.8 | -79.1 | 176 | -174.8 | -172.2 | 4 | 111.6 | E1054 K1055 E1061 G1062 | E1054-R1058 VanDerWaalsContact O-CB 3.23Å; E1054-R1058 WeakPolarHBondContact O-CB 3.22Å; E1054-R1058 WeakPolarHBondContact O-CG 3.4Å; E1054-R1058 PolarHBondContact O-N 2.96Å; K1055-R1058 CarbonylContact O-C 3.51Å; K1055-R1058 PolarHBondContact O-N 3.29Å; R1058-E1061 PolarHBondContact O-N 3.45Å; R1058-G1062 PolarHBondContact O-N 2.82Å |
| 1059 | K | 71.6 | Confident | 68 | Low | 126 Ų | 126 | 98.8 Ų | 98.8 | 55% | 0.548 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70 | -48.4 | 169.7 | -137 | -172.8 | 179.1 | -133.8 | 0 | 110.3 | K1055 L1056 K1057 E1061 G1062 D1063 | K1055-K1059 WeakPolarHBondContact O-CB 3.13Å; K1055-K1059 PolarHBondContact O-N 2.93Å; L1056-K1059 HydrophobicContact CD1-CB 4.34Å; L1056-K1059 HydrophobicContact CD1-CD 4.37Å; L1056-K1059 CarbonylContact O-C 3.38Å; K1057-K1059 VanDerWaalsContact C-N 3.27Å; K1059-E1061 PolarHBondContact O-N 3.27Å; K1059-E1061 VanDerWaalsContact O-N 3.08Å; K1059-G1062 CarbonylContact O-C 3.58Å; K1059-G1062 WeakPolarHBondContact O-CA 3.03Å; K1059-G1062 PolarHBondContact O-N 3.38Å; K1059-D1063 WeakPolarHBondContact O-CA 2.83Å; K1059-D1063 VanDerWaalsContact O-CB 3.31Å; K1059-D1063 WeakPolarHBondContact O-CB 3.4Å; K1059-D1063 PolarHBondContact O-N 2.96Å |
| 1060 | L | 59.3 | Low | 68.4 | Low | 80 Ų | 80 | 102.2 Ų | 102.2 | 42% | 0.419 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -79.6 | 27.3 | 169 | -59 | 160.1 | 0 | 0 | 0 | 113.7 | L1056 K1057 D1063 A1064 | L1056-L1060 HydrophobicContact CD2-CD1 4.21Å; L1056-L1060 HydrophobicContact CG-CD1 4.22Å; L1056-L1060 WeakPolarHBondContact O-CA 3.08Å; L1056-L1060 WeakPolarHBondContact O-CB 3.45Å; L1056-L1060 VanDerWaalsContact O-CD1 3.3Å; L1056-L1060 WeakPolarHBondContact O-CD1 3.47Å; L1056-L1060 WeakPolarHBondContact O-CG 3.29Å; L1056-L1060 PolarHBondContact O-N 2.87Å; K1057-L1060 CarbonylContact O-C 3.6Å; K1057-L1060 PolarHBondContact O-N 3.47Å; L1060-D1063 HydrophobicContact CD2-CB 4.26Å; L1060-A1064 WeakPolarHBondContact O-CB 3.18Å |
| 1061 | E | 69.7 | Low | 68.7 | Low | 93 Ų | 93 | 99 Ų | 99 | 44% | 0.435 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -128.8 | -23.3 | 165.7 | -82.7 | 162.4 | 172 | 0 | 0 | 107.9 | K1057 R1058 K1059 A1064 S1065 | K1057-E1061 HydrophobicContact CG-CG 4.12Å; K1057-E1061 IonicContact NZ-OE1 2.69Å; K1057-E1061 PolarHBondContact NZ-OE1 3.33Å; K1057-E1061 WeakPolarHBondContact O-CA 3.02Å; K1057-E1061 WeakPolarHBondContact O-CB 3.36Å; K1057-E1061 VanDerWaalsContact O-CD 3.28Å; K1057-E1061 WeakPolarHBondContact O-CG 3.16Å; K1057-E1061 PolarHBondContact O-N 2.96Å; R1058-E1061 PolarHBondContact O-N 3.45Å; K1059-E1061 PolarHBondContact O-N 3.27Å; K1059-E1061 VanDerWaalsContact O-N 3.08Å; E1061-A1064 CarbonylContact O-C 3.58Å; E1061-S1065 WeakPolarHBondContact O-CB 3.49Å; E1061-S1065 PolarHBondContact O-N 3.05Å |
| 1062 | G | 72.1 | Confident | 69 | Low | 30 Ų | 30 | 95.1 Ų | 95.1 | 31% | 0.309 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.5 | -66.1 | 154.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1058 K1059 A1064 S1065 D1066 | R1058-G1062 PolarHBondContact O-N 2.82Å; K1059-G1062 CarbonylContact O-C 3.58Å; K1059-G1062 WeakPolarHBondContact O-CA 3.03Å; K1059-G1062 PolarHBondContact O-N 3.38Å; G1062-A1064 PolarHBondContact O-N 3.46Å; G1062-S1065 CarbonylContact O-C 3.36Å; G1062-S1065 VanDerWaalsContact O-CA 3.26Å; G1062-S1065 WeakPolarHBondContact O-CA 3.24Å; G1062-S1065 VanDerWaalsContact O-CB 3.24Å; G1062-S1065 WeakPolarHBondContact O-CB 2.98Å; G1062-S1065 PolarHBondContact O-N 2.94Å; G1062-D1066 PolarHBondContact O-N 2.84Å |
| 1063 | D | 66.3 | Low | 69.2 | Low | 52 Ų | 52 | 94.1 Ų | 94.1 | 28% | 0.278 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -55 | -17.1 | 166.2 | -36.8 | -32.3 | 0 | 0 | 0 | 112.8 | K1059 L1060 F1067 | K1059-D1063 WeakPolarHBondContact O-CA 2.83Å; K1059-D1063 VanDerWaalsContact O-CB 3.31Å; K1059-D1063 WeakPolarHBondContact O-CB 3.4Å; K1059-D1063 PolarHBondContact O-N 2.96Å; L1060-D1063 HydrophobicContact CD2-CB 4.26Å; D1063-F1067 WeakPolarHBondContact O-CA 3.36Å; D1063-F1067 WeakPolarHBondContact O-CB 3.41Å; D1063-F1067 WeakPolarHBondContact O-CD2 3.17Å; D1063-F1067 WeakPolarHBondContact O-CG 3.47Å; D1063-F1067 PolarHBondContact O-N 3.23Å |
| 1064 | A | 63.3 | Low | 69.6 | Low | 33 Ų | 33 | 94.5 Ų | 94.5 | 27% | 0.273 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -110.6 | 13.8 | 164.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | L1060 E1061 G1062 F1067 H1068 | L1060-A1064 WeakPolarHBondContact O-CB 3.18Å; E1061-A1064 CarbonylContact O-C 3.58Å; G1062-A1064 PolarHBondContact O-N 3.46Å; A1064-F1067 HydrophobicContact CB-CB 4.39Å; A1064-H1068 VanDerWaalsContact O-CB 3.25Å; A1064-H1068 WeakPolarHBondContact O-CB 2.94Å; A1064-H1068 PolarHBondContact O-N 2.94Å; A1064-H1068 PolarHBondContact O-ND1 2.84Å |
| 1065 | S | 75 | Confident | 69.6 | Low | 65 Ų | 65 | 96.2 Ų | 96.2 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -88 | -44.5 | 148.5 | -175.9 | 0 | 0 | 0 | 0 | 108 | E1061 G1062 H1068 E1069 | E1061-S1065 WeakPolarHBondContact O-CB 3.49Å; E1061-S1065 PolarHBondContact O-N 3.05Å; G1062-S1065 CarbonylContact O-C 3.36Å; G1062-S1065 VanDerWaalsContact O-CA 3.26Å; G1062-S1065 WeakPolarHBondContact O-CA 3.24Å; G1062-S1065 VanDerWaalsContact O-CB 3.24Å; G1062-S1065 WeakPolarHBondContact O-CB 2.98Å; G1062-S1065 PolarHBondContact O-N 2.94Å; S1065-H1068 VanDerWaalsContact C-N 3.32Å; S1065-H1068 CarbonylContact O-C 3.44Å; S1065-H1068 VanDerWaalsContact O-C 3.3Å; S1065-H1068 VanDerWaalsContact O-CA 3.29Å; S1065-H1068 WeakPolarHBondContact O-CA 3.18Å; S1065-H1068 WeakPolarHBondContact O-CB 3.32Å; S1065-H1068 PolarHBondContact O-N 3.38Å; S1065-E1069 VanDerWaalsContact O-CB 3.32Å; S1065-E1069 WeakPolarHBondContact O-CB 3.39Å; S1065-E1069 PolarHBondContact O-N 3.47Å |
| 1066 | D | 72.3 | Confident | 69.7 | Low | 89 Ų | 89 | 90.8 Ų | 90.8 | 48% | 0.476 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.8 | -31.3 | 171.9 | -58.8 | 13.6 | 0 | 0 | 0 | 111.2 | G1062 Q1070 | G1062-D1066 PolarHBondContact O-N 2.84Å; D1066-Q1070 WeakPolarHBondContact O-CA 3.45Å; D1066-Q1070 WeakPolarHBondContact O-CB 3.17Å; D1066-Q1070 WeakPolarHBondContact O-CG 2.9Å; D1066-Q1070 PolarHBondContact O-N 2.71Å |
| 1067 | F | 66.8 | Low | 70.1 | Confident | 105 Ų | 105 | 91.9 Ų | 91.9 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -87 | 1.7 | 159.3 | -57.8 | -46.3 | 0 | 0 | 0 | 112.9 | D1063 A1064 Q1070 I1071 | D1063-F1067 WeakPolarHBondContact O-CA 3.36Å; D1063-F1067 WeakPolarHBondContact O-CB 3.41Å; D1063-F1067 WeakPolarHBondContact O-CD2 3.17Å; D1063-F1067 WeakPolarHBondContact O-CG 3.47Å; D1063-F1067 PolarHBondContact O-N 3.23Å; A1064-F1067 HydrophobicContact CB-CB 4.39Å; F1067-Q1070 HydrophobicContact CD1-CB 4.4Å; F1067-I1071 WeakPolarHBondContact O-CB 3.27Å; F1067-I1071 WeakPolarHBondContact O-CD1 3.18Å; F1067-I1071 WeakPolarHBondContact O-CG1 3.35Å; F1067-I1071 PolarHBondContact O-N 2.64Å |
| 1068 | H | 72.2 | Confident | 70.3 | Confident | 134 Ų | 134 | 90.4 Ų | 90.4 | 62% | 0.62 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -91.6 | -20.2 | 158 | -102.8 | 83.2 | 0 | 0 | 0 | 111.7 | A1064 S1065 I1071 A1072 | A1064-H1068 VanDerWaalsContact O-CB 3.25Å; A1064-H1068 WeakPolarHBondContact O-CB 2.94Å; A1064-H1068 PolarHBondContact O-N 2.94Å; A1064-H1068 PolarHBondContact O-ND1 2.84Å; S1065-H1068 VanDerWaalsContact C-N 3.32Å; S1065-H1068 CarbonylContact O-C 3.44Å; S1065-H1068 VanDerWaalsContact O-C 3.3Å; S1065-H1068 VanDerWaalsContact O-CA 3.29Å; S1065-H1068 WeakPolarHBondContact O-CA 3.18Å; S1065-H1068 WeakPolarHBondContact O-CB 3.32Å; S1065-H1068 PolarHBondContact O-N 3.38Å; H1068-I1071 CarbonylContact O-C 3.54Å; H1068-A1072 WeakPolarHBondContact O-CA 3.49Å; H1068-A1072 WeakPolarHBondContact O-CB 3.47Å; H1068-A1072 PolarHBondContact O-N 2.92Å |
| 1069 | E | 74.6 | Confident | 70.4 | Confident | 136 Ų | 136 | 84.1 Ų | 84.1 | 64% | 0.636 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -93.6 | -34.4 | 177.1 | -160.8 | 160.7 | -117.8 | 0 | 0 | 109.5 | S1065 A1072 D1073 | S1065-E1069 VanDerWaalsContact O-CB 3.32Å; S1065-E1069 WeakPolarHBondContact O-CB 3.39Å; S1065-E1069 PolarHBondContact O-N 3.47Å; E1069-A1072 CarbonylContact O-C 3.53Å; E1069-A1072 WeakPolarHBondContact O-CB 3.4Å; E1069-A1072 PolarHBondContact O-N 2.73Å; E1069-D1073 WeakPolarHBondContact O-CB 3.41Å; E1069-D1073 PolarHBondContact O-N 2.8Å |
| 1070 | Q | 68.3 | Low | 70.5 | Confident | 103 Ų | 103 | 83.1 Ų | 83.1 | 48% | 0.481 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -77.4 | -20.5 | 158.7 | -67.3 | 175.6 | 19.8 | 0 | 0 | 112.8 | D1066 F1067 L1074 | D1066-Q1070 WeakPolarHBondContact O-CA 3.45Å; D1066-Q1070 WeakPolarHBondContact O-CB 3.17Å; D1066-Q1070 WeakPolarHBondContact O-CG 2.9Å; D1066-Q1070 PolarHBondContact O-N 2.71Å; F1067-Q1070 HydrophobicContact CD1-CB 4.4Å; Q1070-L1074 WeakPolarHBondContact O-CA 2.99Å; Q1070-L1074 WeakPolarHBondContact O-CB 2.77Å; Q1070-L1074 WeakPolarHBondContact O-CD1 3.24Å; Q1070-L1074 WeakPolarHBondContact O-CG 3.03Å; Q1070-L1074 PolarHBondContact O-N 2.7Å |
| 1071 | I | 70 | Confident | 70.9 | Confident | 75 Ų | 75 | 83.7 Ų | 83.7 | 39% | 0.385 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -84.3 | -12.2 | 160.5 | -67.9 | 169.2 | 0 | 0 | 0 | 110.7 | F1067 H1068 L1074 Q1075 | F1067-I1071 WeakPolarHBondContact O-CB 3.27Å; F1067-I1071 WeakPolarHBondContact O-CD1 3.18Å; F1067-I1071 WeakPolarHBondContact O-CG1 3.35Å; F1067-I1071 PolarHBondContact O-N 2.64Å; H1068-I1071 CarbonylContact O-C 3.54Å; I1071-L1074 CarbonylContact O-C 3.43Å; I1071-Q1075 HydrophobicContact CG2-CG 4Å; I1071-Q1075 VanDerWaalsContact CG2-NE2 3.25Å; I1071-Q1075 WeakPolarHBondContact O-CA 3.33Å; I1071-Q1075 WeakPolarHBondContact O-CB 3.12Å; I1071-Q1075 WeakPolarHBondContact O-CG 3.19Å; I1071-Q1075 PolarHBondContact O-N 3.5Å |
| 1072 | A | 76.2 | Confident | 70.9 | Confident | 48 Ų | 48 | 85.7 Ų | 85.7 | 40% | 0.397 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -81.7 | -39.7 | 167 | 0 | 0 | 0 | 0 | 0 | 110.5 | H1068 E1069 Q1075 A1076 | H1068-A1072 WeakPolarHBondContact O-CA 3.49Å; H1068-A1072 WeakPolarHBondContact O-CB 3.47Å; H1068-A1072 PolarHBondContact O-N 2.92Å; E1069-A1072 CarbonylContact O-C 3.53Å; E1069-A1072 WeakPolarHBondContact O-CB 3.4Å; E1069-A1072 PolarHBondContact O-N 2.73Å; A1072-Q1075 CarbonylContact O-C 3.57Å; A1072-Q1075 VanDerWaalsContact O-C 3.31Å; A1072-Q1075 WeakPolarHBondContact O-CA 3.45Å; A1072-Q1075 PolarHBondContact O-N 3.41Å; A1072-Q1075 VanDerWaalsContact O-N 3.16Å; A1072-A1076 VanDerWaalsContact O-CB 3.27Å; A1072-A1076 WeakPolarHBondContact O-CB 3.49Å; A1072-A1076 PolarHBondContact O-N 3.1Å |
| 1073 | D | 74.6 | Confident | 71 | Confident | 102 Ų | 102 | 90.4 Ų | 90.4 | 55% | 0.545 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -77.3 | -31.6 | 172.6 | -86.9 | -4.1 | 0 | 0 | 0 | 111.5 | E1069 Q1075 A1076 Q1077 | E1069-D1073 WeakPolarHBondContact O-CB 3.41Å; E1069-D1073 PolarHBondContact O-N 2.8Å; D1073-Q1075 VanDerWaalsContact C-N 3.33Å; D1073-A1076 PolarHBondContact O-N 3.01Å; D1073-Q1077 WeakPolarHBondContact O-CA 3.39Å; D1073-Q1077 WeakPolarHBondContact O-CB 3.39Å; D1073-Q1077 WeakPolarHBondContact O-CG 3.15Å; D1073-Q1077 PolarHBondContact O-N 2.89Å |
| 1074 | L | 67.8 | Low | 71.2 | Confident | 82 Ų | 82 | 92.8 Ų | 92.8 | 43% | 0.429 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -80.6 | -7.2 | 162.3 | -64.1 | 166.8 | 0 | 0 | 0 | 112.2 | Q1070 I1071 I1078 | Q1070-L1074 WeakPolarHBondContact O-CA 2.99Å; Q1070-L1074 WeakPolarHBondContact O-CB 2.77Å; Q1070-L1074 WeakPolarHBondContact O-CD1 3.24Å; Q1070-L1074 WeakPolarHBondContact O-CG 3.03Å; Q1070-L1074 PolarHBondContact O-N 2.7Å; I1071-L1074 CarbonylContact O-C 3.43Å; L1074-I1078 WeakPolarHBondContact O-CA 3.31Å; L1074-I1078 WeakPolarHBondContact O-CB 3.5Å; L1074-I1078 VanDerWaalsContact O-CD1 3.23Å; L1074-I1078 WeakPolarHBondContact O-CD1 3.31Å; L1074-I1078 WeakPolarHBondContact O-CG1 3.19Å; L1074-I1078 PolarHBondContact O-N 2.98Å |
| 1075 | Q | 70.2 | Confident | 71.3 | Confident | 123 Ų | 123 | 95.4 Ų | 95.4 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -94.8 | -16.4 | 162.5 | -81.2 | 171.5 | 25.5 | 0 | 0 | 111.8 | I1071 A1072 D1073 A1079 | I1071-Q1075 HydrophobicContact CG2-CG 4Å; I1071-Q1075 VanDerWaalsContact CG2-NE2 3.25Å; I1071-Q1075 WeakPolarHBondContact O-CA 3.33Å; I1071-Q1075 WeakPolarHBondContact O-CB 3.12Å; I1071-Q1075 WeakPolarHBondContact O-CG 3.19Å; I1071-Q1075 PolarHBondContact O-N 3.5Å; A1072-Q1075 CarbonylContact O-C 3.57Å; A1072-Q1075 VanDerWaalsContact O-C 3.31Å; A1072-Q1075 WeakPolarHBondContact O-CA 3.45Å; A1072-Q1075 PolarHBondContact O-N 3.41Å; A1072-Q1075 VanDerWaalsContact O-N 3.16Å; D1073-Q1075 VanDerWaalsContact C-N 3.33Å; Q1075-A1079 WeakPolarHBondContact O-CA 3.44Å; Q1075-A1079 WeakPolarHBondContact O-CB 3.1Å; Q1075-A1079 PolarHBondContact O-N 3.18Å |
| 1076 | A | 73.5 | Confident | 71.2 | Confident | 50 Ų | 50 | 94.4 Ų | 94.4 | 41% | 0.413 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -82.4 | -41.2 | 168 | 0 | 0 | 0 | 0 | 0 | 108.8 | A1072 D1073 A1079 E1080 | A1072-A1076 VanDerWaalsContact O-CB 3.27Å; A1072-A1076 WeakPolarHBondContact O-CB 3.49Å; A1072-A1076 PolarHBondContact O-N 3.1Å; D1073-A1076 PolarHBondContact O-N 3.01Å; A1076-A1079 CarbonylContact O-C 3.51Å; A1076-A1079 PolarHBondContact O-N 2.73Å; A1076-E1080 WeakPolarHBondContact O-CA 3.46Å; A1076-E1080 WeakPolarHBondContact O-CB 2.87Å; A1076-E1080 PolarHBondContact O-N 2.9Å |
| 1077 | Q | 71 | Confident | 71.1 | Confident | 104 Ų | 104 | 96.1 Ų | 96.1 | 49% | 0.486 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76.8 | -24.4 | 166.9 | -67 | 177.1 | 13.3 | 0 | 0 | 112.6 | D1073 L1081 | D1073-Q1077 WeakPolarHBondContact O-CA 3.39Å; D1073-Q1077 WeakPolarHBondContact O-CB 3.39Å; D1073-Q1077 WeakPolarHBondContact O-CG 3.15Å; D1073-Q1077 PolarHBondContact O-N 2.89Å; Q1077-L1081 VanDerWaalsContact O-CA 3.26Å; Q1077-L1081 WeakPolarHBondContact O-CA 3.5Å; Q1077-L1081 WeakPolarHBondContact O-CB 3.47Å; Q1077-L1081 WeakPolarHBondContact O-CD1 3.35Å; Q1077-L1081 WeakPolarHBondContact O-CG 3.34Å; Q1077-L1081 PolarHBondContact O-N 3.41Å |
| 1078 | I | 70.3 | Confident | 71.3 | Confident | 80 Ų | 80 | 97 Ų | 97 | 41% | 0.41 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -85.9 | -13.3 | 163.8 | -67.1 | 164.7 | 0 | 0 | 0 | 110.9 | L1074 K1082 | L1074-I1078 WeakPolarHBondContact O-CA 3.31Å; L1074-I1078 WeakPolarHBondContact O-CB 3.5Å; L1074-I1078 VanDerWaalsContact O-CD1 3.23Å; L1074-I1078 WeakPolarHBondContact O-CD1 3.31Å; L1074-I1078 WeakPolarHBondContact O-CG1 3.19Å; L1074-I1078 PolarHBondContact O-N 2.98Å; I1078-K1082 HydrophobicContact CG2-CD 3.78Å; I1078-K1082 HydrophobicContact CG2-CG 3.95Å; I1078-K1082 WeakPolarHBondContact O-CA 3.13Å; I1078-K1082 WeakPolarHBondContact O-CB 3.14Å; I1078-K1082 WeakPolarHBondContact O-CD 3.22Å; I1078-K1082 WeakPolarHBondContact O-CG 3.49Å; I1078-K1082 PolarHBondContact O-N 2.83Å |
| 1079 | A | 73.8 | Confident | 71.2 | Confident | 56 Ų | 56 | 95.4 Ų | 95.4 | 46% | 0.463 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -82.9 | -34.1 | 165.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | Q1075 A1076 K1082 M1083 | Q1075-A1079 WeakPolarHBondContact O-CA 3.44Å; Q1075-A1079 WeakPolarHBondContact O-CB 3.1Å; Q1075-A1079 PolarHBondContact O-N 3.18Å; A1076-A1079 CarbonylContact O-C 3.51Å; A1076-A1079 PolarHBondContact O-N 2.73Å; A1079-K1082 CarbonylContact O-C 3.43Å; A1079-K1082 VanDerWaalsContact O-C 3.3Å; A1079-K1082 PolarHBondContact O-N 3Å; A1079-M1083 WeakPolarHBondContact O-CA 3.48Å; A1079-M1083 WeakPolarHBondContact O-CB 3.12Å; A1079-M1083 PolarHBondContact O-N 3.32Å |
| 1080 | E | 72.6 | Confident | 71.1 | Confident | 105 Ų | 105 | 95.5 Ų | 95.5 | 49% | 0.491 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -81.7 | -37.8 | 174.8 | -176.6 | 166.8 | -156.8 | 0 | 0 | 110.4 | A1076 K1082 M1083 Q1084 | A1076-E1080 WeakPolarHBondContact O-CA 3.46Å; A1076-E1080 WeakPolarHBondContact O-CB 2.87Å; A1076-E1080 PolarHBondContact O-N 2.9Å; E1080-K1082 VanDerWaalsContact C-N 3.32Å; E1080-M1083 CarbonylContact O-C 3.59Å; E1080-M1083 PolarHBondContact O-N 3.02Å; E1080-M1083 VanDerWaalsContact O-N 3.14Å; E1080-Q1084 WeakPolarHBondContact O-CA 3.37Å; E1080-Q1084 VanDerWaalsContact O-CB 3.23Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.38Å; E1080-Q1084 VanDerWaalsContact O-CG 3.24Å; E1080-Q1084 WeakPolarHBondContact O-CG 3.26Å; E1080-Q1084 PolarHBondContact O-N 3.41Å |
| 1081 | L | 67.3 | Low | 71.3 | Confident | 93 Ų | 93 | 94.6 Ų | 94.6 | 49% | 0.487 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -75.4 | -13.9 | 163.8 | -63.5 | 166.9 | 0 | 0 | 0 | 112.3 | Q1077 L1085 | Q1077-L1081 VanDerWaalsContact O-CA 3.26Å; Q1077-L1081 WeakPolarHBondContact O-CA 3.5Å; Q1077-L1081 WeakPolarHBondContact O-CB 3.47Å; Q1077-L1081 WeakPolarHBondContact O-CD1 3.35Å; Q1077-L1081 WeakPolarHBondContact O-CG 3.34Å; Q1077-L1081 PolarHBondContact O-N 3.41Å; L1081-L1085 VanDerWaalsContact O-CA 3.25Å; L1081-L1085 WeakPolarHBondContact O-CA 3.48Å; L1081-L1085 WeakPolarHBondContact O-CB 3.37Å; L1081-L1085 PolarHBondContact O-N 3.44Å |
| 1082 | K | 71.6 | Confident | 71.1 | Confident | 135 Ų | 135 | 95.5 Ų | 95.5 | 59% | 0.587 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -93.1 | -2.8 | 160 | -74.8 | 170.9 | -179.8 | 173.3 | 0 | 113.1 | I1078 A1079 E1080 A1086 | I1078-K1082 HydrophobicContact CG2-CD 3.78Å; I1078-K1082 HydrophobicContact CG2-CG 3.95Å; I1078-K1082 WeakPolarHBondContact O-CA 3.13Å; I1078-K1082 WeakPolarHBondContact O-CB 3.14Å; I1078-K1082 WeakPolarHBondContact O-CD 3.22Å; I1078-K1082 WeakPolarHBondContact O-CG 3.49Å; I1078-K1082 PolarHBondContact O-N 2.83Å; A1079-K1082 CarbonylContact O-C 3.43Å; A1079-K1082 VanDerWaalsContact O-C 3.3Å; A1079-K1082 PolarHBondContact O-N 3Å; E1080-K1082 VanDerWaalsContact C-N 3.32Å; K1082-A1086 WeakPolarHBondContact O-CA 3.5Å; K1082-A1086 WeakPolarHBondContact O-CB 3.44Å; K1082-A1086 PolarHBondContact O-N 3.24Å |
| 1083 | M | 73.9 | Confident | 71 | Confident | 129 Ų | 129 | 99.7 Ų | 99.7 | 64% | 0.635 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -97.7 | -30.7 | 167.7 | -166.5 | 175.3 | 71 | 0 | 0 | 109.3 | A1079 E1080 K1087 | A1079-M1083 WeakPolarHBondContact O-CA 3.48Å; A1079-M1083 WeakPolarHBondContact O-CB 3.12Å; A1079-M1083 PolarHBondContact O-N 3.32Å; E1080-M1083 CarbonylContact O-C 3.59Å; E1080-M1083 PolarHBondContact O-N 3.02Å; E1080-M1083 VanDerWaalsContact O-N 3.14Å; M1083-K1087 WeakPolarHBondContact O-CA 3.32Å; M1083-K1087 WeakPolarHBondContact O-CB 3.49Å; M1083-K1087 PolarHBondContact O-N 2.89Å |
| 1084 | Q | 70 | Confident | 70.9 | Confident | 102 Ų | 102 | 97 Ų | 97 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -79.2 | -26.6 | 163 | -65.3 | 179.1 | 25.4 | 0 | 0 | 111.4 | E1080 K1087 K1088 | E1080-Q1084 WeakPolarHBondContact O-CA 3.37Å; E1080-Q1084 VanDerWaalsContact O-CB 3.23Å; E1080-Q1084 WeakPolarHBondContact O-CB 3.38Å; E1080-Q1084 VanDerWaalsContact O-CG 3.24Å; E1080-Q1084 WeakPolarHBondContact O-CG 3.26Å; E1080-Q1084 PolarHBondContact O-N 3.41Å; Q1084-K1087 CarbonylContact O-C 3.51Å; Q1084-K1088 WeakPolarHBondContact O-CA 3.25Å; Q1084-K1088 WeakPolarHBondContact O-CB 3.33Å; Q1084-K1088 WeakPolarHBondContact O-CG 3.19Å; Q1084-K1088 PolarHBondContact O-N 3.19Å |
| 1085 | L | 64.6 | Low | 70.9 | Confident | 88 Ų | 88 | 95.4 Ų | 95.4 | 46% | 0.461 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -91.6 | -20.1 | 167.1 | -168.6 | 136.5 | 0 | 0 | 0 | 112.8 | L1081 K1088 E1089 | L1081-L1085 VanDerWaalsContact O-CA 3.25Å; L1081-L1085 WeakPolarHBondContact O-CA 3.48Å; L1081-L1085 WeakPolarHBondContact O-CB 3.37Å; L1081-L1085 PolarHBondContact O-N 3.44Å; L1085-K1088 CarbonylContact O-C 3.47Å; L1085-E1089 VanDerWaalsContact CD2-CD 3.41Å; L1085-E1089 HydrophobicContact CD2-CG 3.88Å; L1085-E1089 WeakPolarHBondContact CD2-OE1 3.35Å; L1085-E1089 HydrophobicContact CG-CG 4.24Å; L1085-E1089 WeakPolarHBondContact O-CA 3.27Å; L1085-E1089 WeakPolarHBondContact O-CB 3.17Å; L1085-E1089 WeakPolarHBondContact O-CG 3.32Å; L1085-E1089 PolarHBondContact O-N 3.46Å |
| 1086 | A | 72.9 | Confident | 70.9 | Confident | 43 Ų | 43 | 93 Ų | 93 | 36% | 0.355 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -74.8 | -30.4 | 159.1 | 0 | 0 | 0 | 0 | 0 | 111 | K1082 E1089 E1090 | K1082-A1086 WeakPolarHBondContact O-CA 3.5Å; K1082-A1086 WeakPolarHBondContact O-CB 3.44Å; K1082-A1086 PolarHBondContact O-N 3.24Å; A1086-E1089 CarbonylContact O-C 3.6Å; A1086-E1089 PolarHBondContact O-N 3.09Å; A1086-E1090 VanDerWaalsContact O-CB 3.28Å; A1086-E1090 WeakPolarHBondContact O-CB 3.39Å; A1086-E1090 WeakPolarHBondContact O-CG 3.13Å; A1086-E1090 PolarHBondContact O-N 3.4Å |
| 1087 | K | 72 | Confident | 70.9 | Confident | 125 Ų | 125 | 93.1 Ų | 93.1 | 54% | 0.543 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -80.9 | -24.4 | 170.8 | -170.7 | 176.3 | -179.8 | -175.6 | 0 | 112.5 | M1083 Q1084 E1091 | M1083-K1087 WeakPolarHBondContact O-CA 3.32Å; M1083-K1087 WeakPolarHBondContact O-CB 3.49Å; M1083-K1087 PolarHBondContact O-N 2.89Å; Q1084-K1087 CarbonylContact O-C 3.51Å; K1087-E1091 WeakPolarHBondContact O-CA 3.24Å; K1087-E1091 WeakPolarHBondContact O-CB 3.43Å; K1087-E1091 WeakPolarHBondContact O-CG 3.37Å; K1087-E1091 PolarHBondContact O-N 3.06Å |
| 1088 | K | 69.2 | Low | 71 | Confident | 125 Ų | 125 | 96.4 Ų | 96.4 | 54% | 0.543 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -86.4 | -12 | 164.9 | -70.5 | -72.7 | -179.7 | -164 | 0 | 112.5 | Q1084 L1085 E1091 L1092 | Q1084-K1088 WeakPolarHBondContact O-CA 3.25Å; Q1084-K1088 WeakPolarHBondContact O-CB 3.33Å; Q1084-K1088 WeakPolarHBondContact O-CG 3.19Å; Q1084-K1088 PolarHBondContact O-N 3.19Å; L1085-K1088 CarbonylContact O-C 3.47Å; K1088-E1091 HydrophobicContact CD-CB 4.39Å; K1088-E1091 WeakPolarHBondContact CD-OE2 3.11Å; K1088-E1091 WeakPolarHBondContact CE-OE2 3.42Å; K1088-E1091 IonicContact NZ-OE2 3.14Å; K1088-E1091 PolarHBondContact NZ-OE2 2.94Å; K1088-L1092 VanDerWaalsContact O-CA 3.31Å; K1088-L1092 WeakPolarHBondContact O-CA 3.5Å; K1088-L1092 WeakPolarHBondContact O-CB 3.13Å; K1088-L1092 PolarHBondContact O-N 3.37Å |
| 1089 | E | 70.8 | Confident | 70.8 | Confident | 100 Ų | 100 | 96.2 Ų | 96.2 | 47% | 0.467 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -92.2 | -19.5 | 163.8 | -77 | 171 | 155 | 0 | 0 | 110.9 | L1085 A1086 Q1093 | L1085-E1089 VanDerWaalsContact CD2-CD 3.41Å; L1085-E1089 HydrophobicContact CD2-CG 3.88Å; L1085-E1089 WeakPolarHBondContact CD2-OE1 3.35Å; L1085-E1089 HydrophobicContact CG-CG 4.24Å; L1085-E1089 WeakPolarHBondContact O-CA 3.27Å; L1085-E1089 WeakPolarHBondContact O-CB 3.17Å; L1085-E1089 WeakPolarHBondContact O-CG 3.32Å; L1085-E1089 PolarHBondContact O-N 3.46Å; A1086-E1089 CarbonylContact O-C 3.6Å; A1086-E1089 PolarHBondContact O-N 3.09Å; E1089-Q1093 VanDerWaalsContact O-CA 3.32Å; E1089-Q1093 WeakPolarHBondContact O-CA 3.18Å; E1089-Q1093 WeakPolarHBondContact O-CB 3.5Å; E1089-Q1093 WeakPolarHBondContact O-CG 3.3Å; E1089-Q1093 PolarHBondContact O-N 2.85Å |
| 1090 | E | 73.4 | Confident | 70.8 | Confident | 138 Ų | 138 | 98.2 Ų | 98.2 | 65% | 0.645 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -84.1 | -34.8 | 163.7 | -81.7 | -173 | 144.2 | 0 | 0 | 110.1 | A1086 A1094 | A1086-E1090 VanDerWaalsContact O-CB 3.28Å; A1086-E1090 WeakPolarHBondContact O-CB 3.39Å; A1086-E1090 WeakPolarHBondContact O-CG 3.13Å; A1086-E1090 PolarHBondContact O-N 3.4Å; E1090-A1094 WeakPolarHBondContact O-CA 3.36Å; E1090-A1094 WeakPolarHBondContact O-CB 2.87Å; E1090-A1094 PolarHBondContact O-N 3.36Å |
| 1091 | E | 70.6 | Confident | 70.9 | Confident | 84 Ų | 84 | 97.9 Ų | 97.9 | 39% | 0.393 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.3 | -24.3 | 167.8 | -72.1 | 169.3 | -152.4 | 0 | 0 | 111.2 | K1087 K1088 A1095 | K1087-E1091 WeakPolarHBondContact O-CA 3.24Å; K1087-E1091 WeakPolarHBondContact O-CB 3.43Å; K1087-E1091 WeakPolarHBondContact O-CG 3.37Å; K1087-E1091 PolarHBondContact O-N 3.06Å; K1088-E1091 HydrophobicContact CD-CB 4.39Å; K1088-E1091 WeakPolarHBondContact CD-OE2 3.11Å; K1088-E1091 WeakPolarHBondContact CE-OE2 3.42Å; K1088-E1091 IonicContact NZ-OE2 3.14Å; K1088-E1091 PolarHBondContact NZ-OE2 2.94Å; E1091-A1095 VanDerWaalsContact O-CA 3.31Å; E1091-A1095 WeakPolarHBondContact O-CA 3.41Å; E1091-A1095 WeakPolarHBondContact O-CB 3.48Å; E1091-A1095 PolarHBondContact O-N 2.88Å |
| 1092 | L | 67.1 | Low | 70.9 | Confident | 93 Ų | 93 | 99.1 Ų | 99.1 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -91.4 | -20.2 | 169.6 | -174.8 | 66.7 | 0 | 0 | 0 | 112.4 | K1088 A1095 L1096 | K1088-L1092 VanDerWaalsContact O-CA 3.31Å; K1088-L1092 WeakPolarHBondContact O-CA 3.5Å; K1088-L1092 WeakPolarHBondContact O-CB 3.13Å; K1088-L1092 PolarHBondContact O-N 3.37Å; L1092-A1095 CarbonylContact O-C 3.48Å; L1092-L1096 HydrophobicContact CD1-CD1 4.2Å; L1092-L1096 HydrophobicContact CD1-CG 3.9Å; L1092-L1096 HydrophobicContact CD2-CD1 4.46Å; L1092-L1096 HydrophobicContact CG-CD1 3.86Å; L1092-L1096 HydrophobicContact CG-CG 4.01Å; L1092-L1096 VanDerWaalsContact O-CA 3.28Å; L1092-L1096 WeakPolarHBondContact O-CA 3.43Å; L1092-L1096 WeakPolarHBondContact O-CB 3.05Å; L1092-L1096 WeakPolarHBondContact O-CD1 3.04Å; L1092-L1096 WeakPolarHBondContact O-CG 3.01Å; L1092-L1096 PolarHBondContact O-N 3.15Å |
| 1093 | Q | 73.7 | Confident | 70.8 | Confident | 137 Ų | 137 | 95.7 Ų | 95.7 | 64% | 0.64 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -86.1 | -22 | 164.3 | -75.1 | 179.6 | 8 | 0 | 0 | 111.3 | E1089 A1097 | E1089-Q1093 VanDerWaalsContact O-CA 3.32Å; E1089-Q1093 WeakPolarHBondContact O-CA 3.18Å; E1089-Q1093 WeakPolarHBondContact O-CB 3.5Å; E1089-Q1093 WeakPolarHBondContact O-CG 3.3Å; E1089-Q1093 PolarHBondContact O-N 2.85Å; Q1093-A1097 WeakPolarHBondContact O-CA 3.35Å; Q1093-A1097 WeakPolarHBondContact O-CB 3.25Å; Q1093-A1097 PolarHBondContact O-N 2.87Å |
| 1094 | A | 72.5 | Confident | 70.9 | Confident | 45 Ų | 45 | 91.5 Ų | 91.5 | 37% | 0.372 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -84.1 | -26.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1090 R1098 | E1090-A1094 WeakPolarHBondContact O-CA 3.36Å; E1090-A1094 WeakPolarHBondContact O-CB 2.87Å; E1090-A1094 PolarHBondContact O-N 3.36Å; A1094-R1098 WeakPolarHBondContact O-CA 3.37Å; A1094-R1098 WeakPolarHBondContact O-CB 3.34Å; A1094-R1098 WeakPolarHBondContact O-CD 2.91Å; A1094-R1098 WeakPolarHBondContact O-CG 3.31Å; A1094-R1098 PolarHBondContact O-N 2.89Å |
| 1095 | A | 68.9 | Low | 70.9 | Confident | 48 Ų | 48 | 92.7 Ų | 92.7 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -87 | -15 | 168 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1091 L1092 R1098 L1099 | E1091-A1095 VanDerWaalsContact O-CA 3.31Å; E1091-A1095 WeakPolarHBondContact O-CA 3.41Å; E1091-A1095 WeakPolarHBondContact O-CB 3.48Å; E1091-A1095 PolarHBondContact O-N 2.88Å; L1092-A1095 CarbonylContact O-C 3.48Å; A1095-R1098 CarbonylContact O-C 3.45Å; A1095-L1099 WeakPolarHBondContact O-CA 3.41Å; A1095-L1099 WeakPolarHBondContact O-CB 3.47Å; A1095-L1099 PolarHBondContact O-N 3.46Å |
| 1096 | L | 68.8 | Low | 71.2 | Confident | 74 Ų | 74 | 94.7 Ų | 94.7 | 39% | 0.387 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -95.7 | -25.3 | 165.9 | -72.8 | 170.5 | 0 | 0 | 0 | 111.8 | L1092 L1099 D1100 | L1092-L1096 HydrophobicContact CD1-CD1 4.2Å; L1092-L1096 HydrophobicContact CD1-CG 3.9Å; L1092-L1096 HydrophobicContact CD2-CD1 4.46Å; L1092-L1096 HydrophobicContact CG-CD1 3.86Å; L1092-L1096 HydrophobicContact CG-CG 4.01Å; L1092-L1096 VanDerWaalsContact O-CA 3.28Å; L1092-L1096 WeakPolarHBondContact O-CA 3.43Å; L1092-L1096 WeakPolarHBondContact O-CB 3.05Å; L1092-L1096 WeakPolarHBondContact O-CD1 3.04Å; L1092-L1096 WeakPolarHBondContact O-CG 3.01Å; L1092-L1096 PolarHBondContact O-N 3.15Å; L1096-L1099 HydrophobicContact CD2-CB 4.07Å; L1096-L1099 HydrophobicContact CD2-CD2 3.86Å; L1096-L1099 CarbonylContact O-C 3.49Å; L1096-L1099 PolarHBondContact O-N 3.43Å; L1096-D1100 WeakPolarHBondContact O-CA 3.08Å; L1096-D1100 WeakPolarHBondContact O-CB 3.22Å; L1096-D1100 PolarHBondContact O-N 3.43Å |
| 1097 | A | 74.3 | Confident | 71.1 | Confident | 51 Ų | 51 | 96.9 Ų | 96.9 | 42% | 0.421 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77 | -27.2 | 162.4 | 0 | 0 | 0 | 0 | 0 | 110.4 | Q1093 D1101 | Q1093-A1097 WeakPolarHBondContact O-CA 3.35Å; Q1093-A1097 WeakPolarHBondContact O-CB 3.25Å; Q1093-A1097 PolarHBondContact O-N 2.87Å; A1097-D1101 WeakPolarHBondContact O-CA 3.06Å; A1097-D1101 WeakPolarHBondContact O-CB 3.01Å; A1097-D1101 PolarHBondContact O-N 3.49Å |
| 1098 | R | 73.1 | Confident | 71.2 | Confident | 174 Ų | 174 | 95.9 Ų | 95.9 | 66% | 0.657 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -79.4 | -22.8 | 159.8 | -70.8 | 170.5 | -169 | 173.2 | 5.5 | 113.1 | A1094 A1095 E1102 | A1094-R1098 WeakPolarHBondContact O-CA 3.37Å; A1094-R1098 WeakPolarHBondContact O-CB 3.34Å; A1094-R1098 WeakPolarHBondContact O-CD 2.91Å; A1094-R1098 WeakPolarHBondContact O-CG 3.31Å; A1094-R1098 PolarHBondContact O-N 2.89Å; A1095-R1098 CarbonylContact O-C 3.45Å; R1098-E1102 VanDerWaalsContact O-CA 3.27Å; R1098-E1102 WeakPolarHBondContact O-CA 3.32Å; R1098-E1102 WeakPolarHBondContact O-CB 3.46Å; R1098-E1102 WeakPolarHBondContact O-CG 3.3Å; R1098-E1102 PolarHBondContact O-N 2.85Å |
| 1099 | L | 65.7 | Low | 71.2 | Confident | 76 Ų | 76 | 91.9 Ų | 91.9 | 40% | 0.398 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -79.9 | -24.1 | 169.1 | -157.5 | 73.8 | 0 | 0 | 0 | 110.3 | A1095 L1096 E1102 I1103 | A1095-L1099 WeakPolarHBondContact O-CA 3.41Å; A1095-L1099 WeakPolarHBondContact O-CB 3.47Å; A1095-L1099 PolarHBondContact O-N 3.46Å; L1096-L1099 HydrophobicContact CD2-CB 4.07Å; L1096-L1099 HydrophobicContact CD2-CD2 3.86Å; L1096-L1099 CarbonylContact O-C 3.49Å; L1096-L1099 PolarHBondContact O-N 3.43Å; L1099-E1102 CarbonylContact O-C 3.55Å; L1099-I1103 HydrophobicContact CD2-CD1 4Å; L1099-I1103 HydrophobicContact CG-CD1 3.76Å; L1099-I1103 HydrophobicContact CG-CG1 4.24Å; L1099-I1103 VanDerWaalsContact O-CA 3.28Å; L1099-I1103 WeakPolarHBondContact O-CA 3.5Å; L1099-I1103 WeakPolarHBondContact O-CB 3.32Å; L1099-I1103 WeakPolarHBondContact O-CD1 3.22Å; L1099-I1103 WeakPolarHBondContact O-CG1 3.48Å; L1099-I1103 PolarHBondContact O-N 3.49Å |
| 1100 | D | 73.4 | Confident | 70.9 | Confident | 98 Ų | 98 | 90.1 Ų | 90.1 | 52% | 0.524 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -90.6 | -26.9 | 175.1 | -73.3 | -23.2 | 0 | 0 | 0 | 110.7 | L1096 A1104 | L1096-D1100 WeakPolarHBondContact O-CA 3.08Å; L1096-D1100 WeakPolarHBondContact O-CB 3.22Å; L1096-D1100 PolarHBondContact O-N 3.43Å; D1100-A1104 WeakPolarHBondContact O-CA 2.95Å; D1100-A1104 WeakPolarHBondContact O-CB 3.1Å; D1100-A1104 PolarHBondContact O-N 2.86Å |
| 1101 | D | 74.2 | Confident | 70.9 | Confident | 97 Ų | 97 | 89 Ų | 89 | 52% | 0.519 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -77.9 | -30.6 | 161.1 | -85.3 | -27.5 | 0 | 0 | 0 | 111 | A1097 Q1105 | A1097-D1101 WeakPolarHBondContact O-CA 3.06Å; A1097-D1101 WeakPolarHBondContact O-CB 3.01Å; A1097-D1101 PolarHBondContact O-N 3.49Å; D1101-Q1105 WeakPolarHBondContact O-CA 3.34Å; D1101-Q1105 WeakPolarHBondContact O-CB 3.39Å; D1101-Q1105 WeakPolarHBondContact O-CG 3.03Å; D1101-Q1105 PolarHBondContact O-N 3.13Å |
| 1102 | E | 68.6 | Low | 71 | Confident | 120 Ų | 120 | 91.3 Ų | 91.3 | 56% | 0.561 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -81.3 | -19 | 169.2 | -74.9 | 178.6 | -171.4 | 0 | 0 | 111.5 | R1098 L1099 K1106 | R1098-E1102 VanDerWaalsContact O-CA 3.27Å; R1098-E1102 WeakPolarHBondContact O-CA 3.32Å; R1098-E1102 WeakPolarHBondContact O-CB 3.46Å; R1098-E1102 WeakPolarHBondContact O-CG 3.3Å; R1098-E1102 PolarHBondContact O-N 2.85Å; L1099-E1102 CarbonylContact O-C 3.55Å; E1102-K1106 VanDerWaalsContact O-CA 3.26Å; E1102-K1106 WeakPolarHBondContact O-CA 3.04Å; E1102-K1106 WeakPolarHBondContact O-CB 3.19Å; E1102-K1106 PolarHBondContact O-N 2.79Å |
| 1103 | I | 69.3 | Low | 71 | Confident | 63 Ų | 63 | 90.7 Ų | 90.7 | 32% | 0.323 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -90.3 | -27.2 | 169.1 | -74.7 | 165.7 | 0 | 0 | 0 | 109.5 | L1099 K1106 N1107 | L1099-I1103 HydrophobicContact CD2-CD1 4Å; L1099-I1103 HydrophobicContact CG-CD1 3.76Å; L1099-I1103 HydrophobicContact CG-CG1 4.24Å; L1099-I1103 VanDerWaalsContact O-CA 3.28Å; L1099-I1103 WeakPolarHBondContact O-CA 3.5Å; L1099-I1103 WeakPolarHBondContact O-CB 3.32Å; L1099-I1103 WeakPolarHBondContact O-CD1 3.22Å; L1099-I1103 WeakPolarHBondContact O-CG1 3.48Å; L1099-I1103 PolarHBondContact O-N 3.49Å; I1103-K1106 CarbonylContact O-C 3.59Å; I1103-N1107 VanDerWaalsContact CG2-ND2 3.35Å; I1103-N1107 WeakPolarHBondContact CG2-ND2 3.5Å; I1103-N1107 VanDerWaalsContact O-CA 3.29Å; I1103-N1107 WeakPolarHBondContact O-CA 3.22Å; I1103-N1107 WeakPolarHBondContact O-CB 3.29Å; I1103-N1107 PolarHBondContact O-N 3.47Å; I1103-N1107 PolarHBondContact O-ND2 2.9Å |
| 1104 | A | 75 | Confident | 70.9 | Confident | 41 Ų | 41 | 92.7 Ų | 92.7 | 34% | 0.339 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -78.7 | -30.5 | 166.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | D1100 N1108 | D1100-A1104 WeakPolarHBondContact O-CA 2.95Å; D1100-A1104 WeakPolarHBondContact O-CB 3.1Å; D1100-A1104 PolarHBondContact O-N 2.86Å; A1104-N1108 WeakPolarHBondContact O-CA 3.11Å; A1104-N1108 WeakPolarHBondContact O-CB 3.06Å; A1104-N1108 PolarHBondContact O-N 3.32Å; A1104-N1108 PolarHBondContact O-ND2 3.46Å |
| 1105 | Q | 71 | Confident | 70.9 | Confident | 126 Ų | 126 | 95.1 Ų | 95.1 | 59% | 0.589 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -81.4 | -31 | 168.6 | -70.8 | 172.8 | 49.1 | 0 | 0 | 111.6 | D1101 N1108 A1109 | D1101-Q1105 WeakPolarHBondContact O-CA 3.34Å; D1101-Q1105 WeakPolarHBondContact O-CB 3.39Å; D1101-Q1105 WeakPolarHBondContact O-CG 3.03Å; D1101-Q1105 PolarHBondContact O-N 3.13Å; Q1105-N1108 CarbonylContact O-C 3.55Å; Q1105-A1109 VanDerWaalsContact O-CA 3.24Å; Q1105-A1109 WeakPolarHBondContact O-CA 3.3Å; Q1105-A1109 WeakPolarHBondContact O-CB 3.43Å; Q1105-A1109 PolarHBondContact O-N 3.18Å |
| 1106 | K | 70 | Confident | 70.9 | Confident | 130 Ų | 130 | 97.3 Ų | 97.3 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -79.9 | -19 | 168.6 | -179.7 | -174.3 | 170.5 | -170.3 | 0 | 112 | E1102 I1103 A1109 L1110 | E1102-K1106 VanDerWaalsContact O-CA 3.26Å; E1102-K1106 WeakPolarHBondContact O-CA 3.04Å; E1102-K1106 WeakPolarHBondContact O-CB 3.19Å; E1102-K1106 PolarHBondContact O-N 2.79Å; I1103-K1106 CarbonylContact O-C 3.59Å; K1106-A1109 CarbonylContact O-C 3.3Å; K1106-L1110 HydrophobicContact CG-CD1 3.9Å; K1106-L1110 HydrophobicContact CG-CG 4.13Å; K1106-L1110 VanDerWaalsContact O-CA 3.31Å; K1106-L1110 WeakPolarHBondContact O-CA 3.35Å; K1106-L1110 WeakPolarHBondContact O-CB 2.92Å; K1106-L1110 WeakPolarHBondContact O-CD1 3.37Å; K1106-L1110 WeakPolarHBondContact O-CG 2.81Å; K1106-L1110 PolarHBondContact O-N 2.89Å |
| 1107 | N | 72.1 | Confident | 70.7 | Confident | 90 Ų | 90 | 99.2 Ų | 99.2 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -89.2 | -33.5 | 168.5 | -70.4 | -19 | 0 | 0 | 0 | 110.7 | I1103 A1109 K1111 | I1103-N1107 VanDerWaalsContact CG2-ND2 3.35Å; I1103-N1107 WeakPolarHBondContact CG2-ND2 3.5Å; I1103-N1107 VanDerWaalsContact O-CA 3.29Å; I1103-N1107 WeakPolarHBondContact O-CA 3.22Å; I1103-N1107 WeakPolarHBondContact O-CB 3.29Å; I1103-N1107 PolarHBondContact O-N 3.47Å; I1103-N1107 PolarHBondContact O-ND2 2.9Å; N1107-A1109 VanDerWaalsContact C-N 3.28Å; N1107-K1111 WeakPolarHBondContact O-CA 3.26Å; N1107-K1111 WeakPolarHBondContact O-CB 3.39Å; N1107-K1111 PolarHBondContact O-N 3.32Å |
| 1108 | N | 72.6 | Confident | 70.7 | Confident | 104 Ų | 104 | 98 Ų | 98 | 56% | 0.556 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -73.8 | -20.9 | 165.4 | -74.3 | -44.6 | 0 | 0 | 0 | 112 | A1104 Q1105 K1112 | A1104-N1108 WeakPolarHBondContact O-CA 3.11Å; A1104-N1108 WeakPolarHBondContact O-CB 3.06Å; A1104-N1108 PolarHBondContact O-N 3.32Å; A1104-N1108 PolarHBondContact O-ND2 3.46Å; Q1105-N1108 CarbonylContact O-C 3.55Å; N1108-K1112 WeakPolarHBondContact O-CA 3.37Å; N1108-K1112 WeakPolarHBondContact O-CB 3.14Å; N1108-K1112 VanDerWaalsContact O-CG 3.22Å; N1108-K1112 WeakPolarHBondContact O-CG 3.21Å; N1108-K1112 PolarHBondContact O-N 2.89Å |
| 1109 | A | 69.9 | Low | 70.6 | Confident | 40 Ų | 40 | 94.8 Ų | 94.8 | 33% | 0.331 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -98.7 | -9.3 | 170.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1105 K1106 N1107 I1113 | Q1105-A1109 VanDerWaalsContact O-CA 3.24Å; Q1105-A1109 WeakPolarHBondContact O-CA 3.3Å; Q1105-A1109 WeakPolarHBondContact O-CB 3.43Å; Q1105-A1109 PolarHBondContact O-N 3.18Å; K1106-A1109 CarbonylContact O-C 3.3Å; N1107-A1109 VanDerWaalsContact C-N 3.28Å; A1109-I1113 VanDerWaalsContact O-CA 3.3Å; A1109-I1113 WeakPolarHBondContact O-CA 3.44Å; A1109-I1113 WeakPolarHBondContact O-CB 3Å; A1109-I1113 VanDerWaalsContact O-CD1 3.23Å; A1109-I1113 WeakPolarHBondContact O-CD1 3.28Å; A1109-I1113 WeakPolarHBondContact O-CG1 3.32Å; A1109-I1113 PolarHBondContact O-N 3.18Å |
| 1110 | L | 65.3 | Low | 70.8 | Confident | 63 Ų | 63 | 95.4 Ų | 95.4 | 33% | 0.33 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -91.6 | -21.4 | 159.9 | -79.5 | 168.5 | 0 | 0 | 0 | 110.4 | K1106 R1114 | K1106-L1110 HydrophobicContact CG-CD1 3.9Å; K1106-L1110 HydrophobicContact CG-CG 4.13Å; K1106-L1110 VanDerWaalsContact O-CA 3.31Å; K1106-L1110 WeakPolarHBondContact O-CA 3.35Å; K1106-L1110 WeakPolarHBondContact O-CB 2.92Å; K1106-L1110 WeakPolarHBondContact O-CD1 3.37Å; K1106-L1110 WeakPolarHBondContact O-CG 2.81Å; K1106-L1110 PolarHBondContact O-N 2.89Å; L1110-R1114 WeakPolarHBondContact O-CA 3.21Å; L1110-R1114 WeakPolarHBondContact O-CB 2.91Å; L1110-R1114 WeakPolarHBondContact O-CD 3.29Å; L1110-R1114 WeakPolarHBondContact O-CG 3.3Å; L1110-R1114 PolarHBondContact O-N 2.81Å |
| 1111 | K | 73.3 | Confident | 70.8 | Confident | 115 Ų | 115 | 93.8 Ų | 93.8 | 50% | 0.5 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -80.4 | -42.8 | 166.3 | -163.2 | 168.1 | -173.6 | 171.7 | 0 | 109.3 | N1107 R1114 E1115 | N1107-K1111 WeakPolarHBondContact O-CA 3.26Å; N1107-K1111 WeakPolarHBondContact O-CB 3.39Å; N1107-K1111 PolarHBondContact O-N 3.32Å; K1111-R1114 CarbonylContact O-C 3.56Å; K1111-R1114 PolarHBondContact O-N 3.04Å; K1111-E1115 WeakPolarHBondContact CG-OE1 3.41Å; K1111-E1115 VanDerWaalsContact O-CB 3.24Å; K1111-E1115 WeakPolarHBondContact O-CB 3.34Å; K1111-E1115 WeakPolarHBondContact O-CG 3.35Å; K1111-E1115 PolarHBondContact O-N 3.32Å |
| 1112 | K | 71.5 | Confident | 70.7 | Confident | 133 Ų | 133 | 92.9 Ų | 92.9 | 58% | 0.578 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -68.6 | -32.3 | 163.7 | -75.5 | 179.6 | 173.2 | -177.5 | 0 | 114 | N1108 R1114 E1115 L1116 | N1108-K1112 WeakPolarHBondContact O-CA 3.37Å; N1108-K1112 WeakPolarHBondContact O-CB 3.14Å; N1108-K1112 VanDerWaalsContact O-CG 3.22Å; N1108-K1112 WeakPolarHBondContact O-CG 3.21Å; N1108-K1112 PolarHBondContact O-N 2.89Å; K1112-R1114 VanDerWaalsContact C-N 3.35Å; K1112-E1115 CarbonylContact O-C 3.47Å; K1112-L1116 WeakPolarHBondContact O-CA 3.24Å; K1112-L1116 WeakPolarHBondContact O-CB 3.35Å; K1112-L1116 WeakPolarHBondContact O-CD1 3.26Å; K1112-L1116 WeakPolarHBondContact O-CG 3.49Å; K1112-L1116 PolarHBondContact O-N 3.21Å |
| 1113 | I | 68.1 | Low | 70.7 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 41% | 0.41 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -73.8 | -25.5 | 169.4 | -73.8 | 163.7 | 0 | 0 | 0 | 110.3 | A1109 L1116 E1117 | A1109-I1113 VanDerWaalsContact O-CA 3.3Å; A1109-I1113 WeakPolarHBondContact O-CA 3.44Å; A1109-I1113 WeakPolarHBondContact O-CB 3Å; A1109-I1113 VanDerWaalsContact O-CD1 3.23Å; A1109-I1113 WeakPolarHBondContact O-CD1 3.28Å; A1109-I1113 WeakPolarHBondContact O-CG1 3.32Å; A1109-I1113 PolarHBondContact O-N 3.18Å; I1113-L1116 CarbonylContact O-C 3.5Å; I1113-E1117 HydrophobicContact CG2-CG 3.74Å; I1113-E1117 WeakPolarHBondContact CG2-OE1 3.41Å; I1113-E1117 VanDerWaalsContact O-CA 3.29Å; I1113-E1117 WeakPolarHBondContact O-CA 3.2Å; I1113-E1117 WeakPolarHBondContact O-CB 3.3Å; I1113-E1117 WeakPolarHBondContact O-CG 3.46Å; I1113-E1117 PolarHBondContact O-N 3.03Å |
| 1114 | R | 70.8 | Confident | 70.6 | Confident | 179 Ų | 179 | 94.3 Ų | 94.3 | 68% | 0.675 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -82.3 | -23.2 | 168.8 | -75.7 | 168.4 | -177.5 | 176.7 | 0.4 | 114.4 | L1110 K1111 K1112 G1118 | L1110-R1114 WeakPolarHBondContact O-CA 3.21Å; L1110-R1114 WeakPolarHBondContact O-CB 2.91Å; L1110-R1114 WeakPolarHBondContact O-CD 3.29Å; L1110-R1114 WeakPolarHBondContact O-CG 3.3Å; L1110-R1114 PolarHBondContact O-N 2.81Å; K1111-R1114 CarbonylContact O-C 3.56Å; K1111-R1114 PolarHBondContact O-N 3.04Å; K1112-R1114 VanDerWaalsContact C-N 3.35Å; R1114-G1118 WeakPolarHBondContact O-CA 3.35Å; R1114-G1118 PolarHBondContact O-N 3.16Å |
| 1115 | E | 73.3 | Confident | 70.5 | Confident | 95 Ų | 95 | 99.3 Ų | 99.3 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -83.1 | -23.3 | 169.9 | -70.3 | 159.5 | 179.7 | 0 | 0 | 110.2 | K1111 K1112 H1119 | K1111-E1115 WeakPolarHBondContact CG-OE1 3.41Å; K1111-E1115 VanDerWaalsContact O-CB 3.24Å; K1111-E1115 WeakPolarHBondContact O-CB 3.34Å; K1111-E1115 WeakPolarHBondContact O-CG 3.35Å; K1111-E1115 PolarHBondContact O-N 3.32Å; K1112-E1115 CarbonylContact O-C 3.47Å; E1115-H1119 WeakPolarHBondContact O-CA 3.3Å; E1115-H1119 WeakPolarHBondContact O-CB 3.26Å; E1115-H1119 PolarHBondContact O-CD2 3.44Å; E1115-H1119 PolarHBondContact O-N 3.42Å |
| 1116 | L | 67.9 | Low | 70.6 | Confident | 95 Ų | 95 | 97.9 Ų | 97.9 | 50% | 0.497 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -98.5 | -13.1 | 171.2 | -65.6 | 168.5 | 0 | 0 | 0 | 113.1 | K1112 I1113 I1120 | K1112-L1116 WeakPolarHBondContact O-CA 3.24Å; K1112-L1116 WeakPolarHBondContact O-CB 3.35Å; K1112-L1116 WeakPolarHBondContact O-CD1 3.26Å; K1112-L1116 WeakPolarHBondContact O-CG 3.49Å; K1112-L1116 PolarHBondContact O-N 3.21Å; I1113-L1116 CarbonylContact O-C 3.5Å; L1116-I1120 WeakPolarHBondContact O-CA 3.31Å; L1116-I1120 WeakPolarHBondContact O-CB 3.47Å; L1116-I1120 WeakPolarHBondContact O-CD1 3.44Å; L1116-I1120 WeakPolarHBondContact O-CG1 3.28Å; L1116-I1120 PolarHBondContact O-N 2.91Å |
| 1117 | E | 65.7 | Low | 70.5 | Confident | 113 Ų | 113 | 95.4 Ų | 95.4 | 53% | 0.528 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -91.8 | -29.9 | 163.7 | -77.4 | 167.6 | 162.7 | 0 | 0 | 108.9 | I1113 S1121 | I1113-E1117 HydrophobicContact CG2-CG 3.74Å; I1113-E1117 WeakPolarHBondContact CG2-OE1 3.41Å; I1113-E1117 VanDerWaalsContact O-CA 3.29Å; I1113-E1117 WeakPolarHBondContact O-CA 3.2Å; I1113-E1117 WeakPolarHBondContact O-CB 3.3Å; I1113-E1117 WeakPolarHBondContact O-CG 3.46Å; I1113-E1117 PolarHBondContact O-N 3.03Å; E1117-S1121 WeakPolarHBondContact O-CA 3.22Å; E1117-S1121 WeakPolarHBondContact O-CB 3.34Å; E1117-S1121 PolarHBondContact O-N 3.35Å |
| 1118 | G | 74.3 | Confident | 70.5 | Confident | 25 Ų | 25 | 95.2 Ų | 95.2 | 26% | 0.258 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -56.6 | -68.9 | 156.4 | 0 | 0 | 0 | 0 | 0 | 107.8 | R1114 I1120 S1121 D1122 | R1114-G1118 WeakPolarHBondContact O-CA 3.35Å; R1114-G1118 PolarHBondContact O-N 3.16Å; G1118-I1120 VanDerWaalsContact C-N 3.28Å; G1118-I1120 PolarHBondContact O-N 3.2Å; G1118-I1120 VanDerWaalsContact O-N 3.14Å; G1118-S1121 CarbonylContact O-C 3.53Å; G1118-S1121 WeakPolarHBondContact O-CA 3.46Å; G1118-S1121 WeakPolarHBondContact O-CB 3.39Å; G1118-S1121 PolarHBondContact O-N 2.84Å; G1118-D1122 PolarHBondContact O-N 2.9Å |
| 1119 | H | 71 | Confident | 70.5 | Confident | 108 Ų | 108 | 93.2 Ų | 93.2 | 50% | 0.5 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.8 | -15.3 | 177.3 | -67.1 | -21.3 | 0 | 0 | 0 | 115.8 | E1115 D1122 L1123 | E1115-H1119 WeakPolarHBondContact O-CA 3.3Å; E1115-H1119 WeakPolarHBondContact O-CB 3.26Å; E1115-H1119 PolarHBondContact O-CD2 3.44Å; E1115-H1119 PolarHBondContact O-N 3.42Å; H1119-D1122 WeakPolarHBondContact CA-OD2 3.16Å; H1119-D1122 IonicContact CE1-OD2 3.96Å; H1119-D1122 IonicContact CG-OD2 2.79Å; H1119-D1122 IonicContact ND1-OD2 3.76Å; H1119-D1122 PolarHBondContact ND1-OD2 2.77Å; H1119-L1123 WeakPolarHBondContact O-CA 3.2Å; H1119-L1123 WeakPolarHBondContact O-CB 3.26Å; H1119-L1123 VanDerWaalsContact O-CD1 3.32Å; H1119-L1123 WeakPolarHBondContact O-CD1 2.94Å; H1119-L1123 WeakPolarHBondContact O-CG 3.14Å; H1119-L1123 PolarHBondContact O-N 3.45Å |
| 1120 | I | 68.7 | Low | 70.5 | Confident | 89 Ų | 89 | 96.4 Ų | 96.4 | 46% | 0.456 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -86.4 | -22.3 | 166.1 | -74.7 | 164.3 | 0 | 0 | 0 | 110.9 | L1116 G1118 L1123 Q1124 | L1116-I1120 WeakPolarHBondContact O-CA 3.31Å; L1116-I1120 WeakPolarHBondContact O-CB 3.47Å; L1116-I1120 WeakPolarHBondContact O-CD1 3.44Å; L1116-I1120 WeakPolarHBondContact O-CG1 3.28Å; L1116-I1120 PolarHBondContact O-N 2.91Å; G1118-I1120 VanDerWaalsContact C-N 3.28Å; G1118-I1120 PolarHBondContact O-N 3.2Å; G1118-I1120 VanDerWaalsContact O-N 3.14Å; I1120-L1123 CarbonylContact O-C 3.41Å; I1120-Q1124 HydrophobicContact CG2-CG 4.11Å; I1120-Q1124 WeakPolarHBondContact O-CA 3.47Å; I1120-Q1124 WeakPolarHBondContact O-CB 3.44Å; I1120-Q1124 WeakPolarHBondContact O-CG 3.33Å; I1120-Q1124 PolarHBondContact O-N 3.08Å |
| 1121 | S | 73.4 | Confident | 70.7 | Confident | 64 Ų | 64 | 99.3 Ų | 99.3 | 45% | 0.448 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -76.7 | -43.9 | 167.2 | -170.8 | 0 | 0 | 0 | 0 | 110.2 | E1117 G1118 Q1124 E1125 | E1117-S1121 WeakPolarHBondContact O-CA 3.22Å; E1117-S1121 WeakPolarHBondContact O-CB 3.34Å; E1117-S1121 PolarHBondContact O-N 3.35Å; G1118-S1121 CarbonylContact O-C 3.53Å; G1118-S1121 WeakPolarHBondContact O-CA 3.46Å; G1118-S1121 WeakPolarHBondContact O-CB 3.39Å; G1118-S1121 PolarHBondContact O-N 2.84Å; S1121-Q1124 CarbonylContact O-C 3.58Å; S1121-Q1124 PolarHBondContact O-N 3.09Å; S1121-E1125 WeakPolarHBondContact O-CB 3.4Å; S1121-E1125 PolarHBondContact O-N 2.86Å |
| 1122 | D | 72.6 | Confident | 70.5 | Confident | 78 Ų | 78 | 96.6 Ų | 96.6 | 42% | 0.417 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -61 | -48.8 | 169.7 | -47.7 | -31 | 0 | 0 | 0 | 108.9 | G1118 H1119 Q1124 E1125 D1126 | G1118-D1122 PolarHBondContact O-N 2.9Å; H1119-D1122 WeakPolarHBondContact CA-OD2 3.16Å; H1119-D1122 IonicContact CE1-OD2 3.96Å; H1119-D1122 IonicContact CG-OD2 2.79Å; H1119-D1122 IonicContact ND1-OD2 3.76Å; H1119-D1122 PolarHBondContact ND1-OD2 2.77Å; D1122-Q1124 PolarHBondContact O-N 2.72Å; D1122-E1125 PolarHBondContact O-N 2.87Å; D1122-D1126 WeakPolarHBondContact O-CA 3.15Å; D1122-D1126 WeakPolarHBondContact O-CB 3.47Å; D1122-D1126 PolarHBondContact O-N 3.36Å |
| 1123 | L | 69.7 | Low | 70.5 | Confident | 108 Ų | 108 | 92.7 Ų | 92.7 | 57% | 0.565 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -78.3 | 8.8 | 171.8 | -60.4 | 167.4 | 0 | 0 | 0 | 113.9 | H1119 I1120 L1127 | H1119-L1123 WeakPolarHBondContact O-CA 3.2Å; H1119-L1123 WeakPolarHBondContact O-CB 3.26Å; H1119-L1123 VanDerWaalsContact O-CD1 3.32Å; H1119-L1123 WeakPolarHBondContact O-CD1 2.94Å; H1119-L1123 WeakPolarHBondContact O-CG 3.14Å; H1119-L1123 PolarHBondContact O-N 3.45Å; I1120-L1123 CarbonylContact O-C 3.41Å; L1123-L1127 WeakPolarHBondContact O-CB 3.45Å; L1123-L1127 PolarHBondContact O-N 2.94Å |
| 1124 | Q | 67.5 | Low | 70.5 | Confident | 104 Ų | 104 | 95.5 Ų | 95.5 | 49% | 0.486 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -109.8 | -27 | 165.3 | -85.9 | 171.2 | 8 | 0 | 0 | 111.4 | I1120 S1121 D1122 D1128 | I1120-Q1124 HydrophobicContact CG2-CG 4.11Å; I1120-Q1124 WeakPolarHBondContact O-CA 3.47Å; I1120-Q1124 WeakPolarHBondContact O-CB 3.44Å; I1120-Q1124 WeakPolarHBondContact O-CG 3.33Å; I1120-Q1124 PolarHBondContact O-N 3.08Å; S1121-Q1124 CarbonylContact O-C 3.58Å; S1121-Q1124 PolarHBondContact O-N 3.09Å; D1122-Q1124 PolarHBondContact O-N 2.72Å; Q1124-D1128 WeakPolarHBondContact O-CA 3.33Å; Q1124-D1128 WeakPolarHBondContact O-CB 3.14Å; Q1124-D1128 PolarHBondContact O-N 3.43Å |
| 1125 | E | 72.5 | Confident | 70.4 | Confident | 146 Ų | 146 | 92 Ų | 92 | 68% | 0.682 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -83 | -34.6 | 170.3 | -165.3 | 157.1 | -127.8 | 0 | 0 | 109.5 | S1121 D1122 S1129 | S1121-E1125 WeakPolarHBondContact O-CB 3.4Å; S1121-E1125 PolarHBondContact O-N 2.86Å; D1122-E1125 PolarHBondContact O-N 2.87Å; E1125-S1129 WeakPolarHBondContact O-CA 2.98Å; E1125-S1129 WeakPolarHBondContact O-CB 3.4Å; E1125-S1129 PolarHBondContact O-N 2.85Å; E1125-S1129 PolarHBondContact O-OG 2.88Å |
| 1126 | D | 72.6 | Confident | 70.4 | Confident | 96 Ų | 96 | 94.4 Ų | 94.4 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -48.9 | 157.7 | -74 | -17.8 | 0 | 0 | 0 | 110.3 | D1122 D1128 S1129 E1130 | D1122-D1126 WeakPolarHBondContact O-CA 3.15Å; D1122-D1126 WeakPolarHBondContact O-CB 3.47Å; D1122-D1126 PolarHBondContact O-N 3.36Å; D1126-D1128 VanDerWaalsContact C-N 3.32Å; D1126-D1128 PolarHBondContact O-N 2.95Å; D1126-S1129 PolarHBondContact O-N 3.09Å; D1126-S1129 PolarHBondContact O-OG 3.1Å; D1126-E1130 VanDerWaalsContact O-CA 3.29Å; D1126-E1130 WeakPolarHBondContact O-CA 3.14Å; D1126-E1130 WeakPolarHBondContact O-CB 3.17Å; D1126-E1130 PolarHBondContact O-N 3.39Å |
| 1127 | L | 67.6 | Low | 70.5 | Confident | 79 Ų | 79 | 92.3 Ų | 92.3 | 41% | 0.414 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -29.6 | 179 | -179.2 | 64.5 | 0 | 0 | 0 | 113 | L1123 R1131 | L1123-L1127 WeakPolarHBondContact O-CB 3.45Å; L1123-L1127 PolarHBondContact O-N 2.94Å; L1127-R1131 HydrophobicContact CD1-CG 4.22Å; L1127-R1131 HydrophobicContact CG-CG 4.35Å; L1127-R1131 WeakPolarHBondContact O-CA 3.44Å; L1127-R1131 WeakPolarHBondContact O-CB 3.33Å; L1127-R1131 WeakPolarHBondContact O-CD 3.39Å; L1127-R1131 WeakPolarHBondContact O-CG 3.43Å; L1127-R1131 PolarHBondContact O-N 3.47Å |
| 1128 | D | 72.1 | Confident | 70.5 | Confident | 85 Ų | 85 | 91.2 Ų | 91.2 | 46% | 0.455 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -89.7 | -20.4 | 176.7 | -71.7 | -22.7 | 0 | 0 | 0 | 113.2 | Q1124 D1126 R1131 A1132 | Q1124-D1128 WeakPolarHBondContact O-CA 3.33Å; Q1124-D1128 WeakPolarHBondContact O-CB 3.14Å; Q1124-D1128 PolarHBondContact O-N 3.43Å; D1126-D1128 VanDerWaalsContact C-N 3.32Å; D1126-D1128 PolarHBondContact O-N 2.95Å; D1128-R1131 CarbonylContact O-C 3.42Å; D1128-R1131 WeakPolarHBondContact OD1-CD 3.44Å; D1128-R1131 IonicContact OD1-CZ 2.73Å; D1128-R1131 IonicContact OD1-NE 3.8Å; D1128-R1131 IonicContact OD1-NH1 3.53Å; D1128-R1131 PolarHBondContact OD1-NH1 2.68Å; D1128-A1132 WeakPolarHBondContact O-CA 3.35Å; D1128-A1132 WeakPolarHBondContact O-CB 3.14Å; D1128-A1132 PolarHBondContact O-N 2.73Å |
| 1129 | S | 73.7 | Confident | 70.3 | Confident | 62 Ų | 62 | 96.1 Ų | 96.1 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -83.3 | -33.4 | 165.3 | 72.1 | 0 | 0 | 0 | 0 | 112.4 | E1125 D1126 A1132 A1133 | E1125-S1129 WeakPolarHBondContact O-CA 2.98Å; E1125-S1129 WeakPolarHBondContact O-CB 3.4Å; E1125-S1129 PolarHBondContact O-N 2.85Å; E1125-S1129 PolarHBondContact O-OG 2.88Å; D1126-S1129 PolarHBondContact O-N 3.09Å; D1126-S1129 PolarHBondContact O-OG 3.1Å; S1129-A1132 CarbonylContact O-C 3.57Å; S1129-A1132 PolarHBondContact O-N 3.33Å; S1129-A1133 WeakPolarHBondContact O-CB 3.39Å; S1129-A1133 PolarHBondContact O-N 2.7Å |
| 1130 | E | 70 | Confident | 70.3 | Confident | 108 Ų | 108 | 96.5 Ų | 96.5 | 51% | 0.505 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.6 | -34.6 | 165.1 | -176.9 | 75.9 | 171.2 | 0 | 0 | 109.5 | D1126 R1134 | D1126-E1130 VanDerWaalsContact O-CA 3.29Å; D1126-E1130 WeakPolarHBondContact O-CA 3.14Å; D1126-E1130 WeakPolarHBondContact O-CB 3.17Å; D1126-E1130 PolarHBondContact O-N 3.39Å; E1130-R1134 VanDerWaalsContact O-CA 3.3Å; E1130-R1134 WeakPolarHBondContact O-CA 3.19Å; E1130-R1134 WeakPolarHBondContact O-CB 3.14Å; E1130-R1134 PolarHBondContact O-N 3.11Å |
| 1131 | R | 68.2 | Low | 70.3 | Confident | 123 Ų | 123 | 100 Ų | 100 | 46% | 0.464 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -76.5 | -25.6 | 166.8 | -76.7 | 158.4 | 168.3 | 174 | -1.1 | 111.8 | L1127 D1128 N1135 | L1127-R1131 HydrophobicContact CD1-CG 4.22Å; L1127-R1131 HydrophobicContact CG-CG 4.35Å; L1127-R1131 WeakPolarHBondContact O-CA 3.44Å; L1127-R1131 WeakPolarHBondContact O-CB 3.33Å; L1127-R1131 WeakPolarHBondContact O-CD 3.39Å; L1127-R1131 WeakPolarHBondContact O-CG 3.43Å; L1127-R1131 PolarHBondContact O-N 3.47Å; D1128-R1131 CarbonylContact O-C 3.42Å; D1128-R1131 WeakPolarHBondContact OD1-CD 3.44Å; D1128-R1131 IonicContact OD1-CZ 2.73Å; D1128-R1131 IonicContact OD1-NE 3.8Å; D1128-R1131 IonicContact OD1-NH1 3.53Å; D1128-R1131 PolarHBondContact OD1-NH1 2.68Å; R1131-N1135 WeakPolarHBondContact O-CA 3.3Å; R1131-N1135 WeakPolarHBondContact O-CB 3.39Å; R1131-N1135 PolarHBondContact O-N 2.78Å; R1131-N1135 PolarHBondContact O-ND2 3.32Å |
| 1132 | A | 70.4 | Confident | 70.1 | Confident | 58 Ų | 58 | 104.7 Ų | 104.7 | 48% | 0.479 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.4 | -44.5 | 169.8 | 0 | 0 | 0 | 0 | 0 | 109.4 | D1128 S1129 K1136 | D1128-A1132 WeakPolarHBondContact O-CA 3.35Å; D1128-A1132 WeakPolarHBondContact O-CB 3.14Å; D1128-A1132 PolarHBondContact O-N 2.73Å; S1129-A1132 CarbonylContact O-C 3.57Å; S1129-A1132 PolarHBondContact O-N 3.33Å; A1132-K1136 WeakPolarHBondContact O-CB 3.16Å; A1132-K1136 PolarHBondContact O-N 2.79Å |
| 1133 | A | 70.9 | Confident | 70 | Confident | 51 Ų | 51 | 104.4 Ų | 104.4 | 42% | 0.421 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68 | -37.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | S1129 K1136 A1137 | S1129-A1133 WeakPolarHBondContact O-CB 3.39Å; S1129-A1133 PolarHBondContact O-N 2.7Å; A1133-K1136 CarbonylContact O-C 3.54Å; A1133-K1136 PolarHBondContact O-N 2.96Å; A1133-A1137 WeakPolarHBondContact O-CA 3.43Å; A1133-A1137 WeakPolarHBondContact O-CB 2.97Å; A1133-A1137 PolarHBondContact O-N 2.89Å |
| 1134 | R | 68.2 | Low | 69.8 | Low | 140 Ų | 140 | 104.3 Ų | 104.3 | 53% | 0.528 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -84.7 | -26.8 | 177.3 | -170.6 | -172.1 | -160.4 | 118.9 | -2.5 | 112.8 | E1130 K1136 E1138 | E1130-R1134 VanDerWaalsContact O-CA 3.3Å; E1130-R1134 WeakPolarHBondContact O-CA 3.19Å; E1130-R1134 WeakPolarHBondContact O-CB 3.14Å; E1130-R1134 PolarHBondContact O-N 3.11Å; R1134-K1136 VanDerWaalsContact C-N 3.33Å; R1134-E1138 HydrophobicContact CG-CG 4.14Å; R1134-E1138 IonicContact NE-OE1 2.73Å; R1134-E1138 WeakPolarHBondContact O-CA 3.46Å; R1134-E1138 WeakPolarHBondContact O-CB 3.24Å; R1134-E1138 VanDerWaalsContact O-CG 3.26Å; R1134-E1138 WeakPolarHBondContact O-CG 3.32Å; R1134-E1138 PolarHBondContact O-N 3.4Å |
| 1135 | N | 68.8 | Low | 69.8 | Low | 104 Ų | 104 | 100.6 Ų | 100.6 | 56% | 0.556 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -74 | -29.9 | 162.9 | -75.9 | -42.5 | 0 | 0 | 0 | 110.2 | R1131 K1139 | R1131-N1135 WeakPolarHBondContact O-CA 3.3Å; R1131-N1135 WeakPolarHBondContact O-CB 3.39Å; R1131-N1135 PolarHBondContact O-N 2.78Å; R1131-N1135 PolarHBondContact O-ND2 3.32Å; N1135-K1139 WeakPolarHBondContact O-CA 3.42Å; N1135-K1139 WeakPolarHBondContact O-CB 3.32Å; N1135-K1139 PolarHBondContact O-N 3.01Å |
| 1136 | K | 71.8 | Confident | 69.5 | Low | 146 Ų | 146 | 99.4 Ų | 99.4 | 64% | 0.635 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -77.1 | -29.9 | 173.3 | -167.6 | 174.9 | -172.3 | -179.9 | 0 | 112.1 | A1132 A1133 R1134 Q1140 | A1132-K1136 WeakPolarHBondContact O-CB 3.16Å; A1132-K1136 PolarHBondContact O-N 2.79Å; A1133-K1136 CarbonylContact O-C 3.54Å; A1133-K1136 PolarHBondContact O-N 2.96Å; R1134-K1136 VanDerWaalsContact C-N 3.33Å; K1136-Q1140 WeakPolarHBondContact O-CB 3.21Å; K1136-Q1140 WeakPolarHBondContact O-CG 3.3Å; K1136-Q1140 PolarHBondContact O-N 2.68Å |
| 1137 | A | 70.5 | Confident | 69.5 | Low | 51 Ų | 51 | 100.3 Ų | 100.3 | 42% | 0.421 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -89.7 | -30.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | A1133 Q1140 K1141 | A1133-A1137 WeakPolarHBondContact O-CA 3.43Å; A1133-A1137 WeakPolarHBondContact O-CB 2.97Å; A1133-A1137 PolarHBondContact O-N 2.89Å; A1137-Q1140 CarbonylContact O-C 3.54Å; A1137-K1141 WeakPolarHBondContact O-CA 2.91Å; A1137-K1141 WeakPolarHBondContact O-CB 3.36Å; A1137-K1141 PolarHBondContact O-N 2.91Å |
| 1138 | E | 66.7 | Low | 69.3 | Low | 90 Ų | 90 | 101.7 Ų | 101.7 | 42% | 0.421 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.3 | -29.4 | 165.4 | -73.5 | -173.3 | -166.1 | 0 | 0 | 111.1 | R1134 K1141 R1142 | R1134-E1138 HydrophobicContact CG-CG 4.14Å; R1134-E1138 IonicContact NE-OE1 2.73Å; R1134-E1138 WeakPolarHBondContact O-CA 3.46Å; R1134-E1138 WeakPolarHBondContact O-CB 3.24Å; R1134-E1138 VanDerWaalsContact O-CG 3.26Å; R1134-E1138 WeakPolarHBondContact O-CG 3.32Å; R1134-E1138 PolarHBondContact O-N 3.4Å; E1138-K1141 CarbonylContact O-C 3.56Å; E1138-K1141 PolarHBondContact O-N 3.26Å; E1138-R1142 VanDerWaalsContact O-CB 3.31Å; E1138-R1142 WeakPolarHBondContact O-CB 2.91Å; E1138-R1142 PolarHBondContact O-N 2.91Å |
| 1139 | K | 70.1 | Confident | 69.1 | Low | 129 Ų | 129 | 104 Ų | 104 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -67 | -51.9 | 162.7 | -176.9 | 170.3 | 179.5 | 178.3 | 0 | 109.9 | N1135 K1141 R1142 D1143 | N1135-K1139 WeakPolarHBondContact O-CA 3.42Å; N1135-K1139 WeakPolarHBondContact O-CB 3.32Å; N1135-K1139 PolarHBondContact O-N 3.01Å; K1139-K1141 PolarHBondContact O-N 2.64Å; K1139-K1141 VanDerWaalsContact O-N 3.12Å; K1139-R1142 CarbonylContact O-C 3.54Å; K1139-R1142 WeakPolarHBondContact O-CA 3.23Å; K1139-R1142 PolarHBondContact O-N 3.49Å; K1139-D1143 WeakPolarHBondContact CE-OD1 2.98Å; K1139-D1143 VanDerWaalsContact CE-OD2 3.31Å; K1139-D1143 WeakPolarHBondContact CE-OD2 2.78Å; K1139-D1143 WeakPolarHBondContact CG-OD1 3.08Å; K1139-D1143 WeakPolarHBondContact CG-OD2 3.33Å; K1139-D1143 WeakPolarHBondContact O-CB 3.45Å; K1139-D1143 PolarHBondContact O-N 2.7Å |
| 1140 | Q | 70.2 | Confident | 68.9 | Low | 116 Ų | 116 | 103.7 Ų | 103.7 | 54% | 0.542 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -61.4 | -23.3 | 174.7 | -78.9 | 179.1 | -51.4 | 0 | 0 | 113.2 | K1136 A1137 L1144 | K1136-Q1140 WeakPolarHBondContact O-CB 3.21Å; K1136-Q1140 WeakPolarHBondContact O-CG 3.3Å; K1136-Q1140 PolarHBondContact O-N 2.68Å; A1137-Q1140 CarbonylContact O-C 3.54Å; Q1140-L1144 WeakPolarHBondContact O-CA 3.19Å; Q1140-L1144 WeakPolarHBondContact O-CB 3.35Å; Q1140-L1144 WeakPolarHBondContact O-CD1 3.42Å; Q1140-L1144 WeakPolarHBondContact O-CG 3.23Å; Q1140-L1144 PolarHBondContact O-N 3.49Å |
| 1141 | K | 69.6 | Low | 68.5 | Low | 163 Ų | 163 | 103.6 Ų | 103.6 | 71% | 0.709 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -91.2 | -10.8 | 173.5 | -175.8 | -178.3 | 175 | -172.8 | 0 | 113.3 | A1137 E1138 K1139 G1145 | A1137-K1141 WeakPolarHBondContact O-CA 2.91Å; A1137-K1141 WeakPolarHBondContact O-CB 3.36Å; A1137-K1141 PolarHBondContact O-N 2.91Å; E1138-K1141 CarbonylContact O-C 3.56Å; E1138-K1141 PolarHBondContact O-N 3.26Å; K1139-K1141 PolarHBondContact O-N 2.64Å; K1139-K1141 VanDerWaalsContact O-N 3.12Å; K1141-G1145 WeakPolarHBondContact O-CA 3.17Å; K1141-G1145 PolarHBondContact O-N 2.67Å |
| 1142 | R | 68.7 | Low | 68.3 | Low | 162 Ų | 162 | 102.5 Ų | 102.5 | 61% | 0.611 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -85 | -48.4 | 161.2 | -101.9 | -166.8 | 170.2 | 97.5 | -3.2 | 109.9 | E1138 K1139 G1145 E1146 | E1138-R1142 VanDerWaalsContact O-CB 3.31Å; E1138-R1142 WeakPolarHBondContact O-CB 2.91Å; E1138-R1142 PolarHBondContact O-N 2.91Å; K1139-R1142 CarbonylContact O-C 3.54Å; K1139-R1142 WeakPolarHBondContact O-CA 3.23Å; K1139-R1142 PolarHBondContact O-N 3.49Å; R1142-G1145 CarbonylContact O-C 3.55Å; R1142-G1145 WeakPolarHBondContact O-CA 3.09Å; R1142-G1145 PolarHBondContact O-N 2.99Å; R1142-E1146 VanDerWaalsContact O-CB 3.25Å; R1142-E1146 WeakPolarHBondContact O-CB 3.47Å; R1142-E1146 WeakPolarHBondContact O-CG 3.24Å; R1142-E1146 PolarHBondContact O-N 2.77Å |
| 1143 | D | 71.1 | Confident | 67.8 | Low | 72 Ų | 72 | 103.7 Ų | 103.7 | 39% | 0.385 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -57.7 | -54.3 | 173 | -57.3 | -5.7 | 0 | 0 | 0 | 109.2 | K1139 G1145 E1147 | K1139-D1143 WeakPolarHBondContact CE-OD1 2.98Å; K1139-D1143 VanDerWaalsContact CE-OD2 3.31Å; K1139-D1143 WeakPolarHBondContact CE-OD2 2.78Å; K1139-D1143 WeakPolarHBondContact CG-OD1 3.08Å; K1139-D1143 WeakPolarHBondContact CG-OD2 3.33Å; K1139-D1143 WeakPolarHBondContact O-CB 3.45Å; K1139-D1143 PolarHBondContact O-N 2.7Å; D1143-G1145 PolarHBondContact O-N 2.71Å; D1143-E1147 VanDerWaalsContact O-CB 3.25Å; D1143-E1147 WeakPolarHBondContact O-CB 3.43Å; D1143-E1147 VanDerWaalsContact O-CG 3.28Å; D1143-E1147 WeakPolarHBondContact O-CG 3.25Å; D1143-E1147 PolarHBondContact O-N 3.46Å |
| 1144 | L | 64.7 | Low | 67.6 | Low | 106 Ų | 106 | 107.2 Ų | 107.2 | 56% | 0.555 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -69.8 | -14.4 | 170.2 | -66.4 | 166.6 | 0 | 0 | 0 | 113.6 | Q1140 L1148 | Q1140-L1144 WeakPolarHBondContact O-CA 3.19Å; Q1140-L1144 WeakPolarHBondContact O-CB 3.35Å; Q1140-L1144 WeakPolarHBondContact O-CD1 3.42Å; Q1140-L1144 WeakPolarHBondContact O-CG 3.23Å; Q1140-L1144 PolarHBondContact O-N 3.49Å; L1144-L1148 WeakPolarHBondContact O-CB 3.33Å; L1144-L1148 PolarHBondContact O-N 2.75Å |
| 1145 | G | 66.8 | Low | 66.9 | Low | 25 Ų | 25 | 105.6 Ų | 105.6 | 26% | 0.258 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -85.2 | -43.6 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | K1141 R1142 D1143 L1148 E1149 | K1141-G1145 WeakPolarHBondContact O-CA 3.17Å; K1141-G1145 PolarHBondContact O-N 2.67Å; R1142-G1145 CarbonylContact O-C 3.55Å; R1142-G1145 WeakPolarHBondContact O-CA 3.09Å; R1142-G1145 PolarHBondContact O-N 2.99Å; D1143-G1145 PolarHBondContact O-N 2.71Å; G1145-L1148 CarbonylContact O-C 3.49Å; G1145-L1148 PolarHBondContact O-N 3.4Å; G1145-E1149 WeakPolarHBondContact O-CB 3.43Å; G1145-E1149 WeakPolarHBondContact O-CG 3.5Å; G1145-E1149 PolarHBondContact O-N 3.36Å |
| 1146 | E | 67.8 | Low | 66.5 | Low | 122 Ų | 122 | 106.5 Ų | 106.5 | 57% | 0.57 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -73 | -35.1 | 170.7 | -66.7 | 170.9 | -156.3 | 0 | 0 | 109.7 | R1142 A1150 | R1142-E1146 VanDerWaalsContact O-CB 3.25Å; R1142-E1146 WeakPolarHBondContact O-CB 3.47Å; R1142-E1146 WeakPolarHBondContact O-CG 3.24Å; R1142-E1146 PolarHBondContact O-N 2.77Å; E1146-A1150 WeakPolarHBondContact O-CA 3.33Å; E1146-A1150 WeakPolarHBondContact O-CB 3.43Å; E1146-A1150 PolarHBondContact O-N 3.36Å |
| 1147 | E | 71 | Confident | 65.8 | Low | 115 Ų | 115 | 106 Ų | 106 | 54% | 0.537 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -65.7 | -36.6 | 165 | -77.8 | -175.9 | 170.8 | 0 | 0 | 112.2 | D1143 L1151 | D1143-E1147 VanDerWaalsContact O-CB 3.25Å; D1143-E1147 WeakPolarHBondContact O-CB 3.43Å; D1143-E1147 VanDerWaalsContact O-CG 3.28Å; D1143-E1147 WeakPolarHBondContact O-CG 3.25Å; D1143-E1147 PolarHBondContact O-N 3.46Å; E1147-L1151 WeakPolarHBondContact O-CB 3.35Å; E1147-L1151 VanDerWaalsContact O-CG 3.28Å; E1147-L1151 WeakPolarHBondContact O-CG 3.32Å; E1147-L1151 PolarHBondContact O-N 3.38Å |
| 1148 | L | 63.6 | Low | 65 | Low | 108 Ų | 108 | 107.1 Ų | 107.1 | 57% | 0.565 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -79.4 | -29.3 | 178.5 | -168 | 153.7 | 0 | 0 | 0 | 112.4 | L1144 G1145 K1152 | L1144-L1148 WeakPolarHBondContact O-CB 3.33Å; L1144-L1148 PolarHBondContact O-N 2.75Å; G1145-L1148 CarbonylContact O-C 3.49Å; G1145-L1148 PolarHBondContact O-N 3.4Å; L1148-K1152 HydrophobicContact CD2-CD 4.21Å; L1148-K1152 WeakPolarHBondContact O-CB 3.48Å; L1148-K1152 PolarHBondContact O-N 2.75Å |
| 1149 | E | 67.8 | Low | 63.8 | Low | 134 Ų | 134 | 109.5 Ų | 109.5 | 63% | 0.626 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -74.4 | -37.1 | 168 | -75.8 | -162.4 | 150.8 | 0 | 0 | 111.7 | G1145 K1152 T1153 | G1145-E1149 WeakPolarHBondContact O-CB 3.43Å; G1145-E1149 WeakPolarHBondContact O-CG 3.5Å; G1145-E1149 PolarHBondContact O-N 3.36Å; E1149-K1152 PolarHBondContact O-N 3.1Å; E1149-T1153 WeakPolarHBondContact O-CB 3.25Å; E1149-T1153 PolarHBondContact O-N 3.46Å; E1149-T1153 PolarHBondContact O-OG1 2.81Å |
| 1150 | A | 70 | Confident | 62.7 | Low | 54 Ų | 54 | 110.6 Ų | 110.6 | 45% | 0.446 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65.2 | -47.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1146 K1152 T1153 E1154 | E1146-A1150 WeakPolarHBondContact O-CA 3.33Å; E1146-A1150 WeakPolarHBondContact O-CB 3.43Å; E1146-A1150 PolarHBondContact O-N 3.36Å; A1150-K1152 VanDerWaalsContact C-N 3.33Å; A1150-K1152 PolarHBondContact O-N 2.9Å; A1150-T1153 WeakPolarHBondContact O-CB 3.17Å; A1150-T1153 PolarHBondContact O-N 3.16Å; A1150-T1153 VanDerWaalsContact O-N 3.14Å; A1150-E1154 PolarHBondContact O-N 3.32Å |
| 1151 | L | 61.9 | Low | 61.6 | Low | 106 Ų | 106 | 109.7 Ų | 109.7 | 56% | 0.555 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -64.4 | -33.5 | 172.9 | -80.8 | 165.6 | 0 | 0 | 0 | 112.3 | E1147 L1155 | E1147-L1151 WeakPolarHBondContact O-CB 3.35Å; E1147-L1151 VanDerWaalsContact O-CG 3.28Å; E1147-L1151 WeakPolarHBondContact O-CG 3.32Å; E1147-L1151 PolarHBondContact O-N 3.38Å; L1151-L1155 WeakPolarHBondContact O-CB 3.45Å; L1151-L1155 PolarHBondContact O-N 2.87Å |
| 1152 | K | 63.4 | Low | 60.7 | Low | 101 Ų | 101 | 106.4 Ų | 106.4 | 44% | 0.439 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.3 | -44.2 | 170.1 | -104.3 | 177.1 | 133.2 | -80.4 | 0 | 111 | L1148 E1149 A1150 L1155 E1156 | L1148-K1152 HydrophobicContact CD2-CD 4.21Å; L1148-K1152 WeakPolarHBondContact O-CB 3.48Å; L1148-K1152 PolarHBondContact O-N 2.75Å; E1149-K1152 PolarHBondContact O-N 3.1Å; A1150-K1152 VanDerWaalsContact C-N 3.33Å; A1150-K1152 PolarHBondContact O-N 2.9Å; K1152-L1155 PolarHBondContact O-N 2.92Å; K1152-E1156 IonicContact NZ-OE1 2.69Å; K1152-E1156 PolarHBondContact NZ-OE1 3.43Å; K1152-E1156 WeakPolarHBondContact O-CB 3.27Å; K1152-E1156 WeakPolarHBondContact O-CG 3.28Å; K1152-E1156 PolarHBondContact O-N 3.18Å |
| 1153 | T | 60.5 | Low | 60.1 | Low | 83 Ų | 83 | 102.1 Ų | 102.1 | 51% | 0.509 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -61.9 | -48.5 | 178.2 | -49.8 | 0 | 0 | 0 | 0 | 109.7 | E1149 A1150 L1155 E1156 D1157 | E1149-T1153 WeakPolarHBondContact O-CB 3.25Å; E1149-T1153 PolarHBondContact O-N 3.46Å; E1149-T1153 PolarHBondContact O-OG1 2.81Å; A1150-T1153 WeakPolarHBondContact O-CB 3.17Å; A1150-T1153 PolarHBondContact O-N 3.16Å; A1150-T1153 VanDerWaalsContact O-N 3.14Å; T1153-L1155 VanDerWaalsContact C-N 3.33Å; T1153-L1155 PolarHBondContact O-N 3.13Å; T1153-E1156 PolarHBondContact O-N 3.48Å; T1153-D1157 WeakPolarHBondContact O-CB 3.28Å; T1153-D1157 PolarHBondContact O-N 2.86Å |
| 1154 | E | 65.4 | Low | 59.4 | Low | 125 Ų | 125 | 103.8 Ų | 103.8 | 58% | 0.584 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -60.8 | -36.6 | 172.7 | -72.6 | -165.3 | 140.5 | 0 | 0 | 112.9 | A1150 T1158 | A1150-E1154 PolarHBondContact O-N 3.32Å; E1154-T1158 VanDerWaalsContact O-CB 3.27Å; E1154-T1158 WeakPolarHBondContact O-CB 3.4Å; E1154-T1158 VanDerWaalsContact O-CG2 3.26Å; E1154-T1158 WeakPolarHBondContact O-CG2 3.03Å; E1154-T1158 PolarHBondContact O-N 2.88Å; E1154-T1158 PolarHBondContact O-OG1 3.31Å |
| 1155 | L | 54 | Low | 59.1 | Low | 106 Ų | 106 | 103.1 Ų | 103.1 | 56% | 0.555 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -77.4 | -28.5 | -179.6 | -159.8 | 82.2 | 0 | 0 | 0 | 113.1 | L1151 K1152 T1153 | L1151-L1155 WeakPolarHBondContact O-CB 3.45Å; L1151-L1155 PolarHBondContact O-N 2.87Å; K1152-L1155 PolarHBondContact O-N 2.92Å; T1153-L1155 VanDerWaalsContact C-N 3.33Å; T1153-L1155 PolarHBondContact O-N 3.13Å |
| 1156 | E | 60.6 | Low | 58.7 | Low | 122 Ų | 122 | 108.8 Ų | 108.8 | 57% | 0.57 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -80.1 | -30.1 | 173.1 | -70.8 | 176.5 | -159.9 | 0 | 0 | 110.9 | K1152 T1153 | K1152-E1156 IonicContact NZ-OE1 2.69Å; K1152-E1156 PolarHBondContact NZ-OE1 3.43Å; K1152-E1156 WeakPolarHBondContact O-CB 3.27Å; K1152-E1156 WeakPolarHBondContact O-CG 3.28Å; K1152-E1156 PolarHBondContact O-N 3.18Å; T1153-E1156 PolarHBondContact O-N 3.48Å |
| 1157 | D | 58.3 | Low | 58.6 | Low | 135 Ų | 135 | 110.3 Ų | 110.3 | 72% | 0.722 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -79.1 | -19.7 | 170.6 | -80.2 | -22.5 | 0 | 0 | 0 | 114.3 | T1153 | T1153-D1157 WeakPolarHBondContact O-CB 3.28Å; T1153-D1157 PolarHBondContact O-N 2.86Å |
| 1158 | T | 53.6 | Low | 58.3 | Low | 76 Ų | 76 | 109.6 Ų | 109.6 | 47% | 0.466 | 59% | 0.592 | S | S | . | * | trans | -104.7 | 63.8 | -177.2 | 55.5 | 0 | 0 | 0 | 0 | 114.3 | E1154 | E1154-T1158 VanDerWaalsContact O-CB 3.27Å; E1154-T1158 WeakPolarHBondContact O-CB 3.4Å; E1154-T1158 VanDerWaalsContact O-CG2 3.26Å; E1154-T1158 WeakPolarHBondContact O-CG2 3.03Å; E1154-T1158 PolarHBondContact O-N 2.88Å; E1154-T1158 PolarHBondContact O-OG1 3.31Å | ||
| 1159 | L | 40.9 | Very low | 58.1 | Low | 139 Ų | 139 | 110 Ų | 110 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | trans | -88.7 | -9.4 | -173.1 | -105 | 165.3 | 0 | 0 | 0 | 117.1 | ||||
| 1160 | D | 45.9 | Very low | 58.2 | Low | 152 Ų | 152 | 106 Ų | 106 | 81% | 0.813 | 58% | 0.576 | S | S | * | * | trans | -104 | 100.7 | -169.3 | -92.4 | -38.1 | 0 | 0 | 0 | 116.5 | ||||
| 1161 | S | 48.2 | Very low | 58.3 | Low | 97 Ų | 97 | 110.2 Ų | 110.2 | 68% | 0.678 | 58% | 0.584 | S | S | * | * | trans | 52.7 | 109.1 | 145.8 | 71.2 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1162 | T | 49.9 | Very low | 58.7 | Low | 94 Ų | 94 | 113.1 Ų | 113.1 | 58% | 0.577 | 59% | 0.588 | S | S | * | * | -166.7 | 148.3 | 128.2 | 9.1 | 0 | 0 | 0 | 0 | 112.5 | T1164 Q1165 | T1162-T1164 VanDerWaalsContact C-N 3.31Å; T1162-T1164 PolarHBondContact O-N 2.99Å; T1162-Q1165 WeakPolarHBondContact O-CB 3.11Å; T1162-Q1165 PolarHBondContact O-N 3.4Å | |||
| 1163 | A | 56.4 | Low | 59.1 | Low | 73 Ų | 73 | 113.8 Ų | 113.8 | 60% | 0.603 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.2 | -28.3 | -174.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | Q1165 Q1166 | A1163-Q1165 VanDerWaalsContact C-N 3.26Å; A1163-Q1165 PolarHBondContact O-N 2.94Å; A1163-Q1166 WeakPolarHBondContact O-CA 3.01Å; A1163-Q1166 WeakPolarHBondContact O-CB 2.8Å; A1163-Q1166 PolarHBondContact O-N 3.44Å |
| 1164 | T | 57.5 | Low | 59.8 | Low | 107 Ų | 107 | 116.2 Ų | 116.2 | 66% | 0.656 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -64.5 | -28.6 | 173.5 | 22 | 0 | 0 | 0 | 0 | 112.8 | T1162 Q1166 L1168 | T1162-T1164 VanDerWaalsContact C-N 3.31Å; T1162-T1164 PolarHBondContact O-N 2.99Å; T1164-Q1166 PolarHBondContact O-N 3.17Å; T1164-L1168 PolarHBondContact O-N 3.45Å; T1164-L1168 VanDerWaalsContact O-N 3.11Å |
| 1165 | Q | 56.6 | Low | 60.2 | Low | 91 Ų | 91 | 116 Ų | 116 | 43% | 0.425 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -68.8 | -19.6 | 168.5 | -77.4 | -171.2 | -16.6 | 0 | 0 | 112.6 | T1162 A1163 R1169 | T1162-Q1165 WeakPolarHBondContact O-CB 3.11Å; T1162-Q1165 PolarHBondContact O-N 3.4Å; A1163-Q1165 VanDerWaalsContact C-N 3.26Å; A1163-Q1165 PolarHBondContact O-N 2.94Å; Q1165-R1169 WeakPolarHBondContact O-CA 3.12Å; Q1165-R1169 WeakPolarHBondContact O-CB 3.36Å; Q1165-R1169 VanDerWaalsContact O-CG 3.27Å; Q1165-R1169 WeakPolarHBondContact O-CG 2.74Å; Q1165-R1169 PolarHBondContact O-N 3.3Å |
| 1166 | Q | 58.6 | Low | 60.8 | Low | 145 Ų | 145 | 114.3 Ų | 114.3 | 68% | 0.678 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -76.3 | -35.4 | 174.8 | -71.7 | -174.3 | -40 | 0 | 0 | 112.7 | A1163 T1164 A1170 | A1163-Q1166 WeakPolarHBondContact O-CA 3.01Å; A1163-Q1166 WeakPolarHBondContact O-CB 2.8Å; A1163-Q1166 PolarHBondContact O-N 3.44Å; T1164-Q1166 PolarHBondContact O-N 3.17Å; Q1166-A1170 VanDerWaalsContact O-CB 3.23Å; Q1166-A1170 WeakPolarHBondContact O-CB 3.21Å; Q1166-A1170 PolarHBondContact O-N 2.98Å |
| 1167 | E | 67.1 | Low | 61.4 | Low | 153 Ų | 153 | 112.4 Ų | 112.4 | 72% | 0.715 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -72.9 | -37 | 169.9 | -75.9 | -163.3 | 142.2 | 0 | 0 | 111.9 | A1170 K1171 | E1167-A1170 PolarHBondContact O-N 2.95Å; E1167-K1171 PolarHBondContact O-N 3.02Å |
| 1168 | L | 63.2 | Low | 62.3 | Low | 101 Ų | 101 | 110.3 Ų | 110.3 | 53% | 0.529 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -69.3 | -35.5 | 174.7 | -137.6 | 85.4 | 0 | 0 | 0 | 111.9 | T1164 R1172 | T1164-L1168 PolarHBondContact O-N 3.45Å; T1164-L1168 VanDerWaalsContact O-N 3.11Å; L1168-R1172 VanDerWaalsContact O-CB 3.23Å; L1168-R1172 WeakPolarHBondContact O-CB 3.21Å; L1168-R1172 WeakPolarHBondContact O-CG 3.06Å; L1168-R1172 PolarHBondContact O-N 2.59Å |
| 1169 | R | 60.3 | Low | 63 | Low | 117 Ų | 117 | 112.2 Ų | 112.2 | 44% | 0.442 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -65.4 | -47.2 | 167 | -82.7 | -172 | -179.4 | -174.1 | 2.3 | 110.4 | Q1165 K1171 R1172 E1173 | Q1165-R1169 WeakPolarHBondContact O-CA 3.12Å; Q1165-R1169 WeakPolarHBondContact O-CB 3.36Å; Q1165-R1169 VanDerWaalsContact O-CG 3.27Å; Q1165-R1169 WeakPolarHBondContact O-CG 2.74Å; Q1165-R1169 PolarHBondContact O-N 3.3Å; R1169-K1171 VanDerWaalsContact C-N 3.31Å; R1169-K1171 PolarHBondContact O-N 3.02Å; R1169-R1172 CarbonylContact O-C 3.49Å; R1169-R1172 PolarHBondContact O-N 3.31Å; R1169-R1172 VanDerWaalsContact O-N 3.16Å; R1169-E1173 WeakPolarHBondContact O-CA 3.33Å; R1169-E1173 WeakPolarHBondContact O-CB 3.27Å; R1169-E1173 WeakPolarHBondContact O-CG 3.45Å; R1169-E1173 PolarHBondContact O-N 3.08Å |
| 1170 | A | 70.8 | Confident | 64.5 | Low | 49 Ų | 49 | 111.5 Ų | 111.5 | 41% | 0.405 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -60 | -40 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1166 E1167 Q1174 | Q1166-A1170 VanDerWaalsContact O-CB 3.23Å; Q1166-A1170 WeakPolarHBondContact O-CB 3.21Å; Q1166-A1170 PolarHBondContact O-N 2.98Å; E1167-A1170 PolarHBondContact O-N 2.95Å; A1170-Q1174 VanDerWaalsContact O-CB 3.24Å; A1170-Q1174 WeakPolarHBondContact O-CB 3.21Å; A1170-Q1174 PolarHBondContact O-N 2.85Å |
| 1171 | K | 72.1 | Confident | 66 | Low | 143 Ų | 143 | 110.1 Ų | 110.1 | 62% | 0.622 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -68.8 | -45.8 | 172 | -88.8 | -171 | 172.3 | -177 | 0 | 112.9 | E1167 R1169 E1173 Q1174 E1175 | E1167-K1171 PolarHBondContact O-N 3.02Å; R1169-K1171 VanDerWaalsContact C-N 3.31Å; R1169-K1171 PolarHBondContact O-N 3.02Å; K1171-E1173 VanDerWaalsContact C-N 3.3Å; K1171-E1173 PolarHBondContact O-N 3.16Å; K1171-Q1174 CarbonylContact O-C 3.55Å; K1171-Q1174 PolarHBondContact O-N 3.01Å; K1171-E1175 WeakPolarHBondContact O-CB 3.1Å; K1171-E1175 WeakPolarHBondContact O-CG 3.19Å; K1171-E1175 PolarHBondContact O-N 2.7Å |
| 1172 | R | 69.9 | Low | 67.2 | Low | 166 Ų | 166 | 107.6 Ų | 107.6 | 63% | 0.626 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.8 | -28 | 176.2 | -76.4 | 179.4 | 168.4 | -178.8 | -5.2 | 112.8 | L1168 R1169 V1176 | L1168-R1172 VanDerWaalsContact O-CB 3.23Å; L1168-R1172 WeakPolarHBondContact O-CB 3.21Å; L1168-R1172 WeakPolarHBondContact O-CG 3.06Å; L1168-R1172 PolarHBondContact O-N 2.59Å; R1169-R1172 CarbonylContact O-C 3.49Å; R1169-R1172 PolarHBondContact O-N 3.31Å; R1169-R1172 VanDerWaalsContact O-N 3.16Å; R1172-V1176 WeakPolarHBondContact O-CA 3.38Å; R1172-V1176 WeakPolarHBondContact O-CB 3.08Å; R1172-V1176 WeakPolarHBondContact O-CG2 2.95Å; R1172-V1176 PolarHBondContact O-N 2.91Å |
| 1173 | E | 71.6 | Confident | 68.1 | Low | 115 Ų | 115 | 108 Ų | 108 | 54% | 0.537 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -74.8 | -35.8 | 171.7 | -77.3 | 174.1 | 159.3 | 0 | 0 | 109.9 | R1169 K1171 V1176 T1177 | R1169-E1173 WeakPolarHBondContact O-CA 3.33Å; R1169-E1173 WeakPolarHBondContact O-CB 3.27Å; R1169-E1173 WeakPolarHBondContact O-CG 3.45Å; R1169-E1173 PolarHBondContact O-N 3.08Å; K1171-E1173 VanDerWaalsContact C-N 3.3Å; K1171-E1173 PolarHBondContact O-N 3.16Å; E1173-V1176 CarbonylContact O-C 3.28Å; E1173-T1177 WeakPolarHBondContact O-CA 3.34Å; E1173-T1177 WeakPolarHBondContact O-CB 3.4Å; E1173-T1177 PolarHBondContact O-N 2.73Å; E1173-T1177 PolarHBondContact O-OG1 2.81Å |
| 1174 | Q | 75.4 | Confident | 68.9 | Low | 135 Ų | 135 | 109 Ų | 109 | 63% | 0.631 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -72.2 | -39.8 | 173.7 | -167.2 | 167.6 | 20 | 0 | 0 | 111.4 | A1170 K1171 T1177 V1178 | A1170-Q1174 VanDerWaalsContact O-CB 3.24Å; A1170-Q1174 WeakPolarHBondContact O-CB 3.21Å; A1170-Q1174 PolarHBondContact O-N 2.85Å; K1171-Q1174 CarbonylContact O-C 3.55Å; K1171-Q1174 PolarHBondContact O-N 3.01Å; Q1174-T1177 CarbonylContact O-C 3.37Å; Q1174-T1177 PolarHBondContact O-N 3.3Å; Q1174-V1178 WeakPolarHBondContact O-CB 3.38Å; Q1174-V1178 VanDerWaalsContact O-CG2 3.3Å; Q1174-V1178 WeakPolarHBondContact O-CG2 3.09Å; Q1174-V1178 PolarHBondContact O-N 2.72Å |
| 1175 | E | 73.8 | Confident | 69.8 | Low | 120 Ų | 120 | 109.4 Ų | 109.4 | 56% | 0.561 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -66.6 | -42.1 | 170.1 | -74.2 | 173.9 | 166.1 | 0 | 0 | 111.2 | K1171 T1177 V1178 L1179 | K1171-E1175 WeakPolarHBondContact O-CB 3.1Å; K1171-E1175 WeakPolarHBondContact O-CG 3.19Å; K1171-E1175 PolarHBondContact O-N 2.7Å; E1175-T1177 VanDerWaalsContact C-N 3.28Å; E1175-T1177 PolarHBondContact O-N 2.73Å; E1175-V1178 PolarHBondContact O-N 3.2Å; E1175-L1179 WeakPolarHBondContact O-CB 3.38Å; E1175-L1179 VanDerWaalsContact O-CG 3.24Å; E1175-L1179 WeakPolarHBondContact O-CG 2.93Å; E1175-L1179 PolarHBondContact O-N 2.74Å |
| 1176 | V | 66.7 | Low | 70.6 | Confident | 70 Ų | 70 | 111.6 Ų | 111.6 | 42% | 0.424 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -70 | -21.7 | 171.8 | 166.8 | 0 | 0 | 0 | 0 | 111.8 | R1172 E1173 K1180 | R1172-V1176 WeakPolarHBondContact O-CA 3.38Å; R1172-V1176 WeakPolarHBondContact O-CB 3.08Å; R1172-V1176 WeakPolarHBondContact O-CG2 2.95Å; R1172-V1176 PolarHBondContact O-N 2.91Å; E1173-V1176 CarbonylContact O-C 3.28Å; V1176-K1180 HydrophobicContact CG1-CD 4.08Å; V1176-K1180 HydrophobicContact CG1-CG 4.27Å; V1176-K1180 WeakPolarHBondContact O-CA 3.36Å; V1176-K1180 WeakPolarHBondContact O-CB 3.09Å; V1176-K1180 WeakPolarHBondContact O-CG 3.28Å; V1176-K1180 PolarHBondContact O-N 3.04Å |
| 1177 | T | 72.6 | Confident | 71.1 | Confident | 82 Ų | 82 | 107.4 Ų | 107.4 | 50% | 0.503 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -84.9 | -30.9 | 173.3 | -61.7 | 0 | 0 | 0 | 0 | 111.4 | E1173 Q1174 E1175 K1181 | E1173-T1177 WeakPolarHBondContact O-CA 3.34Å; E1173-T1177 WeakPolarHBondContact O-CB 3.4Å; E1173-T1177 PolarHBondContact O-N 2.73Å; E1173-T1177 PolarHBondContact O-OG1 2.81Å; Q1174-T1177 CarbonylContact O-C 3.37Å; Q1174-T1177 PolarHBondContact O-N 3.3Å; E1175-T1177 VanDerWaalsContact C-N 3.28Å; E1175-T1177 PolarHBondContact O-N 2.73Å; T1177-K1181 VanDerWaalsContact O-CB 3.25Å; T1177-K1181 WeakPolarHBondContact O-CB 3.46Å; T1177-K1181 WeakPolarHBondContact O-CG 3.38Å; T1177-K1181 PolarHBondContact O-N 2.86Å |
| 1178 | V | 76.4 | Confident | 71.5 | Confident | 91 Ų | 91 | 108.4 Ų | 108.4 | 55% | 0.552 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -74.1 | -40.2 | 169.6 | 169.2 | 0 | 0 | 0 | 0 | 110.6 | Q1174 E1175 K1181 A1182 | Q1174-V1178 WeakPolarHBondContact O-CB 3.38Å; Q1174-V1178 VanDerWaalsContact O-CG2 3.3Å; Q1174-V1178 WeakPolarHBondContact O-CG2 3.09Å; Q1174-V1178 PolarHBondContact O-N 2.72Å; E1175-V1178 PolarHBondContact O-N 3.2Å; V1178-K1181 CarbonylContact O-C 3.56Å; V1178-K1181 PolarHBondContact O-N 2.72Å; V1178-A1182 WeakPolarHBondContact O-CB 3.47Å; V1178-A1182 PolarHBondContact O-N 2.99Å |
| 1179 | L | 69.6 | Low | 72 | Confident | 116 Ų | 116 | 106.4 Ų | 106.4 | 61% | 0.607 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -72.8 | -33.7 | 172.7 | -71.2 | 168.6 | 0 | 0 | 0 | 111.8 | E1175 L1183 | E1175-L1179 WeakPolarHBondContact O-CB 3.38Å; E1175-L1179 VanDerWaalsContact O-CG 3.24Å; E1175-L1179 WeakPolarHBondContact O-CG 2.93Å; E1175-L1179 PolarHBondContact O-N 2.74Å; L1179-L1183 WeakPolarHBondContact O-CA 3.18Å; L1179-L1183 WeakPolarHBondContact O-CB 3.5Å; L1179-L1183 PolarHBondContact O-N 3.23Å |
| 1180 | K | 72 | Confident | 72.6 | Confident | 124 Ų | 124 | 106.7 Ų | 106.7 | 54% | 0.539 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -68.6 | -34.6 | 166.1 | -82.2 | 175.3 | 177.2 | -178 | 0 | 111.6 | V1176 L1183 D1184 | V1176-K1180 HydrophobicContact CG1-CD 4.08Å; V1176-K1180 HydrophobicContact CG1-CG 4.27Å; V1176-K1180 WeakPolarHBondContact O-CA 3.36Å; V1176-K1180 WeakPolarHBondContact O-CB 3.09Å; V1176-K1180 WeakPolarHBondContact O-CG 3.28Å; V1176-K1180 PolarHBondContact O-N 3.04Å; K1180-L1183 CarbonylContact O-C 3.55Å; K1180-D1184 WeakPolarHBondContact O-CA 3.31Å; K1180-D1184 WeakPolarHBondContact O-CB 3.26Å; K1180-D1184 PolarHBondContact O-N 3.17Å |
| 1181 | K | 76.4 | Confident | 72.7 | Confident | 123 Ų | 123 | 110.1 Ų | 110.1 | 54% | 0.535 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -68.6 | -43.5 | 172.5 | -94.7 | -166.6 | 159 | -144 | 0 | 112.4 | T1177 V1178 D1184 E1185 | T1177-K1181 VanDerWaalsContact O-CB 3.25Å; T1177-K1181 WeakPolarHBondContact O-CB 3.46Å; T1177-K1181 WeakPolarHBondContact O-CG 3.38Å; T1177-K1181 PolarHBondContact O-N 2.86Å; V1178-K1181 CarbonylContact O-C 3.56Å; V1178-K1181 PolarHBondContact O-N 2.72Å; K1181-D1184 CarbonylContact O-C 3.59Å; K1181-D1184 PolarHBondContact O-N 3.2Å; K1181-E1185 WeakPolarHBondContact O-CB 3.45Å; K1181-E1185 VanDerWaalsContact O-CG 3.27Å; K1181-E1185 WeakPolarHBondContact O-CG 3.41Å; K1181-E1185 PolarHBondContact O-N 3.3Å |
| 1182 | A | 74.4 | Confident | 72.8 | Confident | 45 Ų | 45 | 105.9 Ų | 105.9 | 37% | 0.372 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -63 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 109.9 | V1178 D1184 E1185 E1186 | V1178-A1182 WeakPolarHBondContact O-CB 3.47Å; V1178-A1182 PolarHBondContact O-N 2.99Å; A1182-D1184 PolarHBondContact O-N 2.82Å; A1182-E1185 PolarHBondContact O-N 3.4Å; A1182-E1186 WeakPolarHBondContact O-CA 3.2Å; A1182-E1186 WeakPolarHBondContact O-CB 3.11Å; A1182-E1186 PolarHBondContact O-N 3.12Å |
| 1183 | L | 68.4 | Low | 73 | Confident | 103 Ų | 103 | 102.9 Ų | 102.9 | 54% | 0.539 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -68.7 | -30.6 | 175.2 | -171 | 68.4 | 0 | 0 | 0 | 112.4 | L1179 K1180 T1187 | L1179-L1183 WeakPolarHBondContact O-CA 3.18Å; L1179-L1183 WeakPolarHBondContact O-CB 3.5Å; L1179-L1183 PolarHBondContact O-N 3.23Å; K1180-L1183 CarbonylContact O-C 3.55Å; L1183-T1187 VanDerWaalsContact O-CA 3.28Å; L1183-T1187 WeakPolarHBondContact O-CA 3.45Å; L1183-T1187 WeakPolarHBondContact O-CB 3.42Å; L1183-T1187 PolarHBondContact O-N 2.85Å; L1183-T1187 PolarHBondContact O-OG1 2.94Å |
| 1184 | D | 74.2 | Confident | 73 | Confident | 94 Ų | 94 | 100.7 Ų | 100.7 | 50% | 0.503 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -80.1 | -27.8 | 174.8 | -76.2 | -17.3 | 0 | 0 | 0 | 111.3 | K1180 K1181 A1182 R1188 | K1180-D1184 WeakPolarHBondContact O-CA 3.31Å; K1180-D1184 WeakPolarHBondContact O-CB 3.26Å; K1180-D1184 PolarHBondContact O-N 3.17Å; K1181-D1184 CarbonylContact O-C 3.59Å; K1181-D1184 PolarHBondContact O-N 3.2Å; A1182-D1184 PolarHBondContact O-N 2.82Å; D1184-R1188 WeakPolarHBondContact O-CA 3.11Å; D1184-R1188 WeakPolarHBondContact O-CB 3.14Å; D1184-R1188 WeakPolarHBondContact O-CD 3.28Å; D1184-R1188 WeakPolarHBondContact O-CG 3.47Å; D1184-R1188 PolarHBondContact O-N 2.63Å |
| 1185 | E | 75.6 | Confident | 72.9 | Confident | 115 Ų | 115 | 101 Ų | 101 | 54% | 0.537 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -85.7 | -31.7 | 176.2 | -73.9 | 173.7 | 162.2 | 0 | 0 | 110.9 | K1181 A1182 R1188 S1189 | K1181-E1185 WeakPolarHBondContact O-CB 3.45Å; K1181-E1185 VanDerWaalsContact O-CG 3.27Å; K1181-E1185 WeakPolarHBondContact O-CG 3.41Å; K1181-E1185 PolarHBondContact O-N 3.3Å; A1182-E1185 PolarHBondContact O-N 3.4Å; E1185-R1188 CarbonylContact O-C 3.59Å; E1185-S1189 VanDerWaalsContact O-CB 3.28Å; E1185-S1189 WeakPolarHBondContact O-CB 3.33Å; E1185-S1189 PolarHBondContact O-N 2.98Å |
| 1186 | E | 73.3 | Confident | 72.8 | Confident | 136 Ų | 136 | 100 Ų | 100 | 64% | 0.636 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -80.4 | -37.6 | 170.7 | -168.4 | 160.6 | -132.3 | 0 | 0 | 110.9 | A1182 R1188 S1189 H1190 | A1182-E1186 WeakPolarHBondContact O-CA 3.2Å; A1182-E1186 WeakPolarHBondContact O-CB 3.11Å; A1182-E1186 PolarHBondContact O-N 3.12Å; E1186-R1188 VanDerWaalsContact C-N 3.34Å; E1186-S1189 CarbonylContact O-C 3.43Å; E1186-S1189 WeakPolarHBondContact O-CB 2.97Å; E1186-S1189 PolarHBondContact O-N 2.79Å; E1186-H1190 WeakPolarHBondContact O-CB 2.91Å; E1186-H1190 PolarHBondContact O-N 2.83Å |
| 1187 | T | 70 | Confident | 72.9 | Confident | 58 Ų | 58 | 101.4 Ų | 101.4 | 36% | 0.356 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -70.4 | -28.2 | 165.6 | -59.3 | 0 | 0 | 0 | 0 | 111 | L1183 E1191 | L1183-T1187 VanDerWaalsContact O-CA 3.28Å; L1183-T1187 WeakPolarHBondContact O-CA 3.45Å; L1183-T1187 WeakPolarHBondContact O-CB 3.42Å; L1183-T1187 PolarHBondContact O-N 2.85Å; L1183-T1187 PolarHBondContact O-OG1 2.94Å; T1187-E1191 HydrophobicContact CG2-CG 4.11Å; T1187-E1191 WeakPolarHBondContact O-CA 3.49Å; T1187-E1191 WeakPolarHBondContact O-CB 3.45Å; T1187-E1191 VanDerWaalsContact O-CG 3.23Å; T1187-E1191 WeakPolarHBondContact O-CG 3.22Å; T1187-E1191 PolarHBondContact O-N 2.91Å |
| 1188 | R | 74.9 | Confident | 72.8 | Confident | 173 Ų | 173 | 106.3 Ų | 106.3 | 65% | 0.653 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -74.9 | -27.2 | 165.7 | -82.8 | 169.2 | 180 | -178.2 | 2.3 | 112.9 | D1184 E1185 E1186 A1192 | D1184-R1188 WeakPolarHBondContact O-CA 3.11Å; D1184-R1188 WeakPolarHBondContact O-CB 3.14Å; D1184-R1188 WeakPolarHBondContact O-CD 3.28Å; D1184-R1188 WeakPolarHBondContact O-CG 3.47Å; D1184-R1188 PolarHBondContact O-N 2.63Å; E1185-R1188 CarbonylContact O-C 3.59Å; E1186-R1188 VanDerWaalsContact C-N 3.34Å; R1188-A1192 WeakPolarHBondContact O-CA 3.3Å; R1188-A1192 WeakPolarHBondContact O-CB 3.17Å; R1188-A1192 PolarHBondContact O-N 2.92Å |
| 1189 | S | 74.4 | Confident | 72.7 | Confident | 60 Ų | 60 | 107.6 Ų | 107.6 | 42% | 0.42 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -71.7 | -42.1 | 172.1 | -172.3 | 0 | 0 | 0 | 0 | 110 | E1185 E1186 A1192 Q1193 | E1185-S1189 VanDerWaalsContact O-CB 3.28Å; E1185-S1189 WeakPolarHBondContact O-CB 3.33Å; E1185-S1189 PolarHBondContact O-N 2.98Å; E1186-S1189 CarbonylContact O-C 3.43Å; E1186-S1189 WeakPolarHBondContact O-CB 2.97Å; E1186-S1189 PolarHBondContact O-N 2.79Å; S1189-A1192 PolarHBondContact O-N 3.03Å; S1189-Q1193 VanDerWaalsContact O-CB 3.26Å; S1189-Q1193 WeakPolarHBondContact O-CB 3.34Å; S1189-Q1193 VanDerWaalsContact O-CG 3.27Å; S1189-Q1193 WeakPolarHBondContact O-CG 3.44Å; S1189-Q1193 PolarHBondContact O-N 3Å |
| 1190 | H | 71.9 | Confident | 72.7 | Confident | 122 Ų | 122 | 107.3 Ų | 107.3 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -74.1 | -34.8 | 173.5 | -112.2 | 9.8 | 0 | 0 | 0 | 112.4 | E1186 Q1193 V1194 | E1186-H1190 WeakPolarHBondContact O-CB 2.91Å; E1186-H1190 PolarHBondContact O-N 2.83Å; H1190-Q1193 PolarHBondContact ND1-OE1 2.99Å; H1190-Q1193 PolarHBondContact O-N 3.5Å; H1190-V1194 WeakPolarHBondContact O-CA 3.44Å; H1190-V1194 WeakPolarHBondContact O-CB 3.23Å; H1190-V1194 WeakPolarHBondContact O-CG2 3.29Å; H1190-V1194 PolarHBondContact O-N 3.24Å |
| 1191 | E | 73.3 | Confident | 72.6 | Confident | 121 Ų | 121 | 106.5 Ų | 106.5 | 57% | 0.565 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -70.8 | -35.6 | 170 | -80.1 | -171.6 | 143.8 | 0 | 0 | 110.1 | T1187 V1194 Q1195 | T1187-E1191 HydrophobicContact CG2-CG 4.11Å; T1187-E1191 WeakPolarHBondContact O-CA 3.49Å; T1187-E1191 WeakPolarHBondContact O-CB 3.45Å; T1187-E1191 VanDerWaalsContact O-CG 3.23Å; T1187-E1191 WeakPolarHBondContact O-CG 3.22Å; T1187-E1191 PolarHBondContact O-N 2.91Å; E1191-V1194 CarbonylContact O-C 3.56Å; E1191-Q1195 VanDerWaalsContact O-CA 3.31Å; E1191-Q1195 WeakPolarHBondContact O-CA 3.07Å; E1191-Q1195 WeakPolarHBondContact O-CB 3.25Å; E1191-Q1195 PolarHBondContact O-N 2.86Å |
| 1192 | A | 74.7 | Confident | 72.3 | Confident | 54 Ų | 54 | 102.9 Ų | 102.9 | 45% | 0.446 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.7 | -38.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.5 | R1188 S1189 Q1195 E1196 | R1188-A1192 WeakPolarHBondContact O-CA 3.3Å; R1188-A1192 WeakPolarHBondContact O-CB 3.17Å; R1188-A1192 PolarHBondContact O-N 2.92Å; S1189-A1192 PolarHBondContact O-N 3.03Å; A1192-Q1195 PolarHBondContact O-N 2.8Å; A1192-E1196 WeakPolarHBondContact O-CA 3.2Å; A1192-E1196 WeakPolarHBondContact O-CB 3.2Å; A1192-E1196 PolarHBondContact O-N 2.63Å |
| 1193 | Q | 73.7 | Confident | 72.4 | Confident | 103 Ų | 103 | 105.8 Ų | 105.8 | 48% | 0.481 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -72.1 | -35.1 | 173 | -78.7 | 177.9 | -26.3 | 0 | 0 | 112.3 | S1189 H1190 M1197 | S1189-Q1193 VanDerWaalsContact O-CB 3.26Å; S1189-Q1193 WeakPolarHBondContact O-CB 3.34Å; S1189-Q1193 VanDerWaalsContact O-CG 3.27Å; S1189-Q1193 WeakPolarHBondContact O-CG 3.44Å; S1189-Q1193 PolarHBondContact O-N 3Å; H1190-Q1193 PolarHBondContact ND1-OE1 2.99Å; H1190-Q1193 PolarHBondContact O-N 3.5Å; Q1193-M1197 WeakPolarHBondContact O-CA 3.47Å; Q1193-M1197 WeakPolarHBondContact O-CB 3.21Å; Q1193-M1197 WeakPolarHBondContact O-CG 3.2Å; Q1193-M1197 PolarHBondContact O-N 2.68Å |
| 1194 | V | 71 | Confident | 72.6 | Confident | 70 Ų | 70 | 102.7 Ų | 102.7 | 42% | 0.424 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -78.9 | -24.2 | 174.7 | 169.5 | 0 | 0 | 0 | 0 | 110.6 | H1190 E1191 R1198 | H1190-V1194 WeakPolarHBondContact O-CA 3.44Å; H1190-V1194 WeakPolarHBondContact O-CB 3.23Å; H1190-V1194 WeakPolarHBondContact O-CG2 3.29Å; H1190-V1194 PolarHBondContact O-N 3.24Å; E1191-V1194 CarbonylContact O-C 3.56Å; V1194-R1198 HydrophobicContact CG1-CG 4.36Å; V1194-R1198 WeakPolarHBondContact O-CA 3.35Å; V1194-R1198 WeakPolarHBondContact O-CB 3.17Å; V1194-R1198 WeakPolarHBondContact O-CD 3.45Å; V1194-R1198 WeakPolarHBondContact O-CG 3.27Å; V1194-R1198 PolarHBondContact O-N 3.42Å |
| 1195 | Q | 73.1 | Confident | 72.5 | Confident | 140 Ų | 140 | 102.2 Ų | 102.2 | 65% | 0.654 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -84.8 | -31.8 | 172.2 | -171.5 | 168 | 38.1 | 0 | 0 | 110.9 | E1191 A1192 R1198 Q1199 | E1191-Q1195 VanDerWaalsContact O-CA 3.31Å; E1191-Q1195 WeakPolarHBondContact O-CA 3.07Å; E1191-Q1195 WeakPolarHBondContact O-CB 3.25Å; E1191-Q1195 PolarHBondContact O-N 2.86Å; A1192-Q1195 PolarHBondContact O-N 2.8Å; Q1195-R1198 CarbonylContact O-C 3.52Å; Q1195-Q1199 WeakPolarHBondContact O-CA 3.37Å; Q1195-Q1199 WeakPolarHBondContact O-CB 3.34Å; Q1195-Q1199 PolarHBondContact O-N 2.71Å |
| 1196 | E | 72.9 | Confident | 72.5 | Confident | 99 Ų | 99 | 102.9 Ų | 102.9 | 46% | 0.463 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.8 | -37.1 | 168.6 | -168.9 | -171.6 | 156.8 | 0 | 0 | 110.4 | A1192 Q1199 K1200 | A1192-E1196 WeakPolarHBondContact O-CA 3.2Å; A1192-E1196 WeakPolarHBondContact O-CB 3.2Å; A1192-E1196 PolarHBondContact O-N 2.63Å; E1196-Q1199 CarbonylContact O-C 3.59Å; E1196-Q1199 PolarHBondContact O-N 3.31Å; E1196-K1200 HydrophobicContact CG-CD 4.33Å; E1196-K1200 WeakPolarHBondContact O-CB 3.4Å; E1196-K1200 VanDerWaalsContact O-CG 3.3Å; E1196-K1200 WeakPolarHBondContact O-CG 3.3Å; E1196-K1200 PolarHBondContact O-N 3.34Å; E1196-K1200 WeakPolarHBondContact OE1-CE 3.45Å; E1196-K1200 IonicContact OE1-NZ 2.7Å; E1196-K1200 PolarHBondContact OE1-NZ 3.29Å |
| 1197 | M | 68.2 | Low | 72.5 | Confident | 100 Ų | 100 | 102.1 Ų | 102.1 | 49% | 0.493 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.8 | -37.6 | 168.8 | -77.2 | -75.7 | -75.7 | 0 | 0 | 111 | Q1193 Q1199 H1201 | Q1193-M1197 WeakPolarHBondContact O-CA 3.47Å; Q1193-M1197 WeakPolarHBondContact O-CB 3.21Å; Q1193-M1197 WeakPolarHBondContact O-CG 3.2Å; Q1193-M1197 PolarHBondContact O-N 2.68Å; M1197-Q1199 VanDerWaalsContact C-N 3.3Å; M1197-H1201 WeakPolarHBondContact O-CA 3.41Å; M1197-H1201 WeakPolarHBondContact O-CB 3.24Å; M1197-H1201 PolarHBondContact O-N 3.12Å; M1197-H1201 PolarHBondContact O-ND1 3.06Å |
| 1198 | R | 70.3 | Confident | 72.3 | Confident | 185 Ų | 185 | 104.2 Ų | 104.2 | 70% | 0.698 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -73.3 | -19.4 | 169.7 | -78.5 | 170.8 | 176.6 | -173.6 | 1 | 112.7 | V1194 Q1195 A1202 | V1194-R1198 HydrophobicContact CG1-CG 4.36Å; V1194-R1198 WeakPolarHBondContact O-CA 3.35Å; V1194-R1198 WeakPolarHBondContact O-CB 3.17Å; V1194-R1198 WeakPolarHBondContact O-CD 3.45Å; V1194-R1198 WeakPolarHBondContact O-CG 3.27Å; V1194-R1198 PolarHBondContact O-N 3.42Å; Q1195-R1198 CarbonylContact O-C 3.52Å; R1198-A1202 WeakPolarHBondContact O-CA 3.2Å; R1198-A1202 WeakPolarHBondContact O-CB 3.35Å; R1198-A1202 PolarHBondContact O-N 3.33Å |
| 1199 | Q | 73.7 | Confident | 72.2 | Confident | 118 Ų | 118 | 99.2 Ų | 99.2 | 55% | 0.551 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -90.4 | -30.1 | 175.3 | -172.9 | 166.6 | 31.4 | 0 | 0 | 110.8 | Q1195 E1196 M1197 Q1203 | Q1195-Q1199 WeakPolarHBondContact O-CA 3.37Å; Q1195-Q1199 WeakPolarHBondContact O-CB 3.34Å; Q1195-Q1199 PolarHBondContact O-N 2.71Å; E1196-Q1199 CarbonylContact O-C 3.59Å; E1196-Q1199 PolarHBondContact O-N 3.31Å; M1197-Q1199 VanDerWaalsContact C-N 3.3Å; Q1199-Q1203 WeakPolarHBondContact O-CA 3.29Å; Q1199-Q1203 WeakPolarHBondContact O-CB 3.45Å; Q1199-Q1203 WeakPolarHBondContact O-CG 3.32Å; Q1199-Q1203 PolarHBondContact O-N 2.93Å |
| 1200 | K | 70.9 | Confident | 72.2 | Confident | 110 Ų | 110 | 102.3 Ų | 102.3 | 48% | 0.478 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -76.7 | -29.3 | 165.5 | -74.6 | 174.5 | -179.3 | 166.7 | 0 | 112.2 | E1196 A1204 | E1196-K1200 HydrophobicContact CG-CD 4.33Å; E1196-K1200 WeakPolarHBondContact O-CB 3.4Å; E1196-K1200 VanDerWaalsContact O-CG 3.3Å; E1196-K1200 WeakPolarHBondContact O-CG 3.3Å; E1196-K1200 PolarHBondContact O-N 3.34Å; E1196-K1200 WeakPolarHBondContact OE1-CE 3.45Å; E1196-K1200 IonicContact OE1-NZ 2.7Å; E1196-K1200 PolarHBondContact OE1-NZ 3.29Å; K1200-A1204 WeakPolarHBondContact O-CA 3.22Å; K1200-A1204 WeakPolarHBondContact O-CB 3.24Å; K1200-A1204 PolarHBondContact O-N 2.96Å |
| 1201 | H | 70.2 | Confident | 72 | Confident | 108 Ų | 108 | 101.7 Ų | 101.7 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -84.1 | -28.4 | 169.3 | -69.8 | 0.7 | 0 | 0 | 0 | 111.4 | M1197 V1205 | M1197-H1201 WeakPolarHBondContact O-CA 3.41Å; M1197-H1201 WeakPolarHBondContact O-CB 3.24Å; M1197-H1201 PolarHBondContact O-N 3.12Å; M1197-H1201 PolarHBondContact O-ND1 3.06Å; H1201-V1205 WeakPolarHBondContact O-CA 3.43Å; H1201-V1205 WeakPolarHBondContact O-CB 3.21Å; H1201-V1205 WeakPolarHBondContact O-CG2 3.29Å; H1201-V1205 PolarHBondContact O-N 3.3Å |
| 1202 | A | 70.5 | Confident | 71.6 | Confident | 46 Ų | 46 | 100.4 Ų | 100.4 | 38% | 0.38 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.5 | -32.4 | 167.7 | 0 | 0 | 0 | 0 | 0 | 110.9 | R1198 V1205 E1206 | R1198-A1202 WeakPolarHBondContact O-CA 3.2Å; R1198-A1202 WeakPolarHBondContact O-CB 3.35Å; R1198-A1202 PolarHBondContact O-N 3.33Å; A1202-V1205 CarbonylContact O-C 3.55Å; A1202-E1206 WeakPolarHBondContact O-CA 3.46Å; A1202-E1206 WeakPolarHBondContact O-CB 3.43Å; A1202-E1206 WeakPolarHBondContact O-CG 3.41Å; A1202-E1206 PolarHBondContact O-N 3.49Å |
| 1203 | Q | 75.6 | Confident | 71.5 | Confident | 107 Ų | 107 | 102 Ų | 102 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.8 | -34.1 | 169.3 | -76.7 | 177.3 | -39.9 | 0 | 0 | 111.9 | Q1199 E1207 | Q1199-Q1203 WeakPolarHBondContact O-CA 3.29Å; Q1199-Q1203 WeakPolarHBondContact O-CB 3.45Å; Q1199-Q1203 WeakPolarHBondContact O-CG 3.32Å; Q1199-Q1203 PolarHBondContact O-N 2.93Å; Q1203-E1207 WeakPolarHBondContact O-CA 3.02Å; Q1203-E1207 WeakPolarHBondContact O-CB 3.43Å; Q1203-E1207 VanDerWaalsContact O-CG 3.25Å; Q1203-E1207 WeakPolarHBondContact O-CG 3.18Å; Q1203-E1207 PolarHBondContact O-N 3.23Å |
| 1204 | A | 72.2 | Confident | 71.3 | Confident | 37 Ų | 37 | 103 Ų | 103 | 31% | 0.306 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.9 | -25.5 | 171.2 | 0 | 0 | 0 | 0 | 0 | 112 | K1200 L1208 | K1200-A1204 WeakPolarHBondContact O-CA 3.22Å; K1200-A1204 WeakPolarHBondContact O-CB 3.24Å; K1200-A1204 PolarHBondContact O-N 2.96Å; A1204-L1208 WeakPolarHBondContact O-CA 3.4Å; A1204-L1208 WeakPolarHBondContact O-CB 3.47Å; A1204-L1208 WeakPolarHBondContact O-CD1 3.47Å; A1204-L1208 WeakPolarHBondContact O-CG 3.45Å; A1204-L1208 PolarHBondContact O-N 2.71Å |
| 1205 | V | 72.6 | Confident | 71.3 | Confident | 84 Ų | 84 | 107.1 Ų | 107.1 | 51% | 0.509 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -83.2 | -30.4 | 170.2 | 170 | 0 | 0 | 0 | 0 | 111.1 | H1201 A1202 L1208 T1209 | H1201-V1205 WeakPolarHBondContact O-CA 3.43Å; H1201-V1205 WeakPolarHBondContact O-CB 3.21Å; H1201-V1205 WeakPolarHBondContact O-CG2 3.29Å; H1201-V1205 PolarHBondContact O-N 3.3Å; A1202-V1205 CarbonylContact O-C 3.55Å; V1205-L1208 CarbonylContact O-C 3.45Å; V1205-T1209 WeakPolarHBondContact O-CA 3.27Å; V1205-T1209 WeakPolarHBondContact O-CB 3.12Å; V1205-T1209 PolarHBondContact O-N 3.07Å; V1205-T1209 PolarHBondContact O-OG1 3.21Å |
| 1206 | E | 74.9 | Confident | 71.1 | Confident | 130 Ų | 130 | 106.8 Ų | 106.8 | 61% | 0.607 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.4 | -35.2 | 168.8 | -79.1 | -179.2 | 139.1 | 0 | 0 | 110.3 | A1202 T1209 E1210 | A1202-E1206 WeakPolarHBondContact O-CA 3.46Å; A1202-E1206 WeakPolarHBondContact O-CB 3.43Å; A1202-E1206 WeakPolarHBondContact O-CG 3.41Å; A1202-E1206 PolarHBondContact O-N 3.49Å; E1206-T1209 CarbonylContact O-C 3.56Å; E1206-T1209 PolarHBondContact O-N 3.33Å; E1206-E1210 WeakPolarHBondContact O-CA 3.09Å; E1206-E1210 WeakPolarHBondContact O-CB 3.42Å; E1206-E1210 WeakPolarHBondContact O-CG 3.09Å; E1206-E1210 PolarHBondContact O-N 3.02Å |
| 1207 | E | 72.9 | Confident | 71 | Confident | 120 Ų | 120 | 109.8 Ų | 109.8 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -71.2 | -37.2 | 168.4 | -78.5 | -173.5 | 145.9 | 0 | 0 | 110.8 | Q1203 T1209 Q1211 | Q1203-E1207 WeakPolarHBondContact O-CA 3.02Å; Q1203-E1207 WeakPolarHBondContact O-CB 3.43Å; Q1203-E1207 VanDerWaalsContact O-CG 3.25Å; Q1203-E1207 WeakPolarHBondContact O-CG 3.18Å; Q1203-E1207 PolarHBondContact O-N 3.23Å; E1207-T1209 VanDerWaalsContact C-N 3.31Å; E1207-Q1211 WeakPolarHBondContact O-CA 3.45Å; E1207-Q1211 WeakPolarHBondContact O-CB 3.35Å; E1207-Q1211 WeakPolarHBondContact O-CG 3.27Å; E1207-Q1211 PolarHBondContact O-N 2.72Å; E1207-Q1211 PolarHBondContact O-NE2 3.25Å |
| 1208 | L | 67.7 | Low | 71 | Confident | 101 Ų | 101 | 107.3 Ų | 107.3 | 53% | 0.529 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -76.1 | -16.4 | 172.2 | -74.7 | 167.9 | 0 | 0 | 0 | 112.8 | A1204 V1205 L1212 | A1204-L1208 WeakPolarHBondContact O-CA 3.4Å; A1204-L1208 WeakPolarHBondContact O-CB 3.47Å; A1204-L1208 WeakPolarHBondContact O-CD1 3.47Å; A1204-L1208 WeakPolarHBondContact O-CG 3.45Å; A1204-L1208 PolarHBondContact O-N 2.71Å; V1205-L1208 CarbonylContact O-C 3.45Å; L1208-L1212 WeakPolarHBondContact O-CA 3.49Å; L1208-L1212 WeakPolarHBondContact O-CB 3.5Å; L1208-L1212 PolarHBondContact O-N 2.77Å |
| 1209 | T | 72.1 | Confident | 70.9 | Confident | 68 Ų | 68 | 104.2 Ų | 104.2 | 42% | 0.417 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -97.6 | -30.1 | 176.6 | -60 | 0 | 0 | 0 | 0 | 111.6 | V1205 E1206 E1207 L1212 E1213 | V1205-T1209 WeakPolarHBondContact O-CA 3.27Å; V1205-T1209 WeakPolarHBondContact O-CB 3.12Å; V1205-T1209 PolarHBondContact O-N 3.07Å; V1205-T1209 PolarHBondContact O-OG1 3.21Å; E1206-T1209 CarbonylContact O-C 3.56Å; E1206-T1209 PolarHBondContact O-N 3.33Å; E1207-T1209 VanDerWaalsContact C-N 3.31Å; T1209-L1212 CarbonylContact O-C 3.55Å; T1209-L1212 PolarHBondContact O-N 2.9Å; T1209-E1213 HydrophobicContact CG2-CG 4.48Å; T1209-E1213 WeakPolarHBondContact O-CA 3.02Å; T1209-E1213 WeakPolarHBondContact O-CB 3.1Å; T1209-E1213 WeakPolarHBondContact O-CG 3.07Å; T1209-E1213 PolarHBondContact O-N 2.65Å |
| 1210 | E | 73.4 | Confident | 70.6 | Confident | 126 Ų | 126 | 101 Ų | 101 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71.9 | -34.4 | 160.5 | -79 | -150.8 | 114.4 | 0 | 0 | 109.8 | E1206 Q1214 | E1206-E1210 WeakPolarHBondContact O-CA 3.09Å; E1206-E1210 WeakPolarHBondContact O-CB 3.42Å; E1206-E1210 WeakPolarHBondContact O-CG 3.09Å; E1206-E1210 PolarHBondContact O-N 3.02Å; E1210-Q1214 WeakPolarHBondContact O-CA 3.43Å; E1210-Q1214 WeakPolarHBondContact O-CB 3.45Å; E1210-Q1214 WeakPolarHBondContact O-CG 3.37Å; E1210-Q1214 PolarHBondContact O-N 2.92Å |
| 1211 | Q | 68.3 | Low | 70.5 | Confident | 108 Ų | 108 | 100.1 Ų | 100.1 | 51% | 0.505 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -72.3 | -34.7 | 167.3 | -71.9 | 167.2 | 41.1 | 0 | 0 | 110.7 | E1207 F1215 | E1207-Q1211 WeakPolarHBondContact O-CA 3.45Å; E1207-Q1211 WeakPolarHBondContact O-CB 3.35Å; E1207-Q1211 WeakPolarHBondContact O-CG 3.27Å; E1207-Q1211 PolarHBondContact O-N 2.72Å; E1207-Q1211 PolarHBondContact O-NE2 3.25Å; Q1211-F1215 WeakPolarHBondContact O-CA 3.36Å; Q1211-F1215 WeakPolarHBondContact O-CB 3.26Å; Q1211-F1215 PolarHBondContact O-N 3.34Å |
| 1212 | L | 65.9 | Low | 70.3 | Confident | 95 Ų | 95 | 100.5 Ų | 100.5 | 50% | 0.497 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -74.1 | -26.3 | 171 | -100.8 | 160.7 | 0 | 0 | 0 | 113.3 | L1208 T1209 K1216 | L1208-L1212 WeakPolarHBondContact O-CA 3.49Å; L1208-L1212 WeakPolarHBondContact O-CB 3.5Å; L1208-L1212 PolarHBondContact O-N 2.77Å; T1209-L1212 CarbonylContact O-C 3.55Å; T1209-L1212 PolarHBondContact O-N 2.9Å; L1212-K1216 WeakPolarHBondContact O-CA 3.39Å; L1212-K1216 WeakPolarHBondContact O-CB 3.3Å; L1212-K1216 WeakPolarHBondContact O-CD 3.07Å; L1212-K1216 WeakPolarHBondContact O-CG 3.21Å; L1212-K1216 PolarHBondContact O-N 3.41Å |
| 1213 | E | 71.3 | Confident | 70.1 | Confident | 88 Ų | 88 | 102 Ų | 102 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -82 | -37.2 | 173.2 | -80.1 | -116.4 | 134.6 | 0 | 0 | 110.4 | T1209 K1216 R1217 | T1209-E1213 HydrophobicContact CG2-CG 4.48Å; T1209-E1213 WeakPolarHBondContact O-CA 3.02Å; T1209-E1213 WeakPolarHBondContact O-CB 3.1Å; T1209-E1213 WeakPolarHBondContact O-CG 3.07Å; T1209-E1213 PolarHBondContact O-N 2.65Å; E1213-K1216 CarbonylContact O-C 3.46Å; E1213-K1216 PolarHBondContact O-N 2.67Å; E1213-R1217 WeakPolarHBondContact O-CA 3.03Å; E1213-R1217 WeakPolarHBondContact O-CB 3.3Å; E1213-R1217 WeakPolarHBondContact O-CG 3.2Å; E1213-R1217 PolarHBondContact O-N 3.01Å; E1213-R1217 IonicContact OE2-CZ 3.86Å; E1213-R1217 IonicContact OE2-NE 2.62Å; E1213-R1217 PolarHBondContact OE2-NE 2.84Å; E1213-R1217 IonicContact OE2-NH2 2.73Å; E1213-R1217 PolarHBondContact OE2-NH2 2.8Å |
| 1214 | Q | 70.1 | Confident | 69.8 | Low | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -69.5 | -33.8 | 168.7 | -73.6 | 179.3 | 25.9 | 0 | 0 | 110.5 | E1210 A1218 | E1210-Q1214 WeakPolarHBondContact O-CA 3.43Å; E1210-Q1214 WeakPolarHBondContact O-CB 3.45Å; E1210-Q1214 WeakPolarHBondContact O-CG 3.37Å; E1210-Q1214 PolarHBondContact O-N 2.92Å; Q1214-A1218 WeakPolarHBondContact O-CA 3.24Å; Q1214-A1218 WeakPolarHBondContact O-CB 3.18Å; Q1214-A1218 PolarHBondContact O-N 3.24Å |
| 1215 | F | 71.1 | Confident | 69.7 | Low | 155 Ų | 155 | 106 Ų | 106 | 68% | 0.68 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -81.6 | -24 | 174 | -149.8 | -80.6 | 0 | 0 | 0 | 111.7 | Q1211 K1219 | Q1211-F1215 WeakPolarHBondContact O-CA 3.36Å; Q1211-F1215 WeakPolarHBondContact O-CB 3.26Å; Q1211-F1215 PolarHBondContact O-N 3.34Å; F1215-K1219 WeakPolarHBondContact O-CA 3.1Å; F1215-K1219 WeakPolarHBondContact O-CB 3.42Å; F1215-K1219 PolarHBondContact O-N 3.24Å |
| 1216 | K | 68.2 | Low | 69.4 | Low | 134 Ų | 134 | 107.1 Ų | 107.1 | 58% | 0.583 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -80.3 | -30.5 | 167.2 | -80.1 | 170 | 179.7 | 174.6 | 0 | 112.9 | L1212 E1213 A1220 | L1212-K1216 WeakPolarHBondContact O-CA 3.39Å; L1212-K1216 WeakPolarHBondContact O-CB 3.3Å; L1212-K1216 WeakPolarHBondContact O-CD 3.07Å; L1212-K1216 WeakPolarHBondContact O-CG 3.21Å; L1212-K1216 PolarHBondContact O-N 3.41Å; E1213-K1216 CarbonylContact O-C 3.46Å; E1213-K1216 PolarHBondContact O-N 2.67Å; K1216-A1220 WeakPolarHBondContact O-CA 3.48Å; K1216-A1220 WeakPolarHBondContact O-CB 3.27Å; K1216-A1220 PolarHBondContact O-N 2.99Å |
| 1217 | R | 70.1 | Confident | 69.1 | Low | 162 Ų | 162 | 107.7 Ų | 107.7 | 61% | 0.611 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -80.8 | -36.1 | 172.5 | -71.2 | 172.8 | -164.7 | -168.2 | 9 | 110.7 | E1213 N1221 | E1213-R1217 WeakPolarHBondContact O-CA 3.03Å; E1213-R1217 WeakPolarHBondContact O-CB 3.3Å; E1213-R1217 WeakPolarHBondContact O-CG 3.2Å; E1213-R1217 PolarHBondContact O-N 3.01Å; E1213-R1217 IonicContact OE2-CZ 3.86Å; E1213-R1217 IonicContact OE2-NE 2.62Å; E1213-R1217 PolarHBondContact OE2-NE 2.84Å; E1213-R1217 IonicContact OE2-NH2 2.73Å; E1213-R1217 PolarHBondContact OE2-NH2 2.8Å; R1217-N1221 WeakPolarHBondContact O-CA 3.28Å; R1217-N1221 WeakPolarHBondContact O-CB 3.42Å; R1217-N1221 PolarHBondContact O-N 2.6Å |
| 1218 | A | 69.1 | Low | 68.9 | Low | 47 Ų | 47 | 105 Ų | 105 | 39% | 0.388 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -72.2 | -32.1 | 167.9 | 0 | 0 | 0 | 0 | 0 | 111 | Q1214 N1221 L1222 | Q1214-A1218 WeakPolarHBondContact O-CA 3.24Å; Q1214-A1218 WeakPolarHBondContact O-CB 3.18Å; Q1214-A1218 PolarHBondContact O-N 3.24Å; A1218-N1221 CarbonylContact O-C 3.57Å; A1218-L1222 WeakPolarHBondContact O-CA 2.94Å; A1218-L1222 WeakPolarHBondContact O-CB 3.27Å; A1218-L1222 WeakPolarHBondContact O-CD1 3.39Å; A1218-L1222 WeakPolarHBondContact O-CG 3.35Å; A1218-L1222 PolarHBondContact O-N 3.48Å |
| 1219 | K | 68.1 | Low | 68.6 | Low | 120 Ų | 120 | 104.5 Ų | 104.5 | 52% | 0.522 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -71.2 | -42.7 | 167.8 | -177.8 | 171.5 | 178.9 | -179.2 | 0 | 112 | F1215 N1221 L1222 D1223 | F1215-K1219 WeakPolarHBondContact O-CA 3.1Å; F1215-K1219 WeakPolarHBondContact O-CB 3.42Å; F1215-K1219 PolarHBondContact O-N 3.24Å; K1219-N1221 VanDerWaalsContact C-N 3.3Å; K1219-N1221 PolarHBondContact O-N 2.83Å; K1219-L1222 CarbonylContact O-C 3.59Å; K1219-L1222 PolarHBondContact O-N 3.06Å; K1219-L1222 VanDerWaalsContact O-N 3.07Å; K1219-D1223 WeakPolarHBondContact CE-OD2 2.97Å; K1219-D1223 WeakPolarHBondContact CG-OD2 3.25Å; K1219-D1223 WeakPolarHBondContact O-CB 3.28Å; K1219-D1223 PolarHBondContact O-N 2.8Å |
| 1220 | A | 67.5 | Low | 68.4 | Low | 51 Ų | 51 | 106.4 Ų | 106.4 | 42% | 0.421 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -68.3 | -31.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112 | K1216 K1224 | K1216-A1220 WeakPolarHBondContact O-CA 3.48Å; K1216-A1220 WeakPolarHBondContact O-CB 3.27Å; K1216-A1220 PolarHBondContact O-N 2.99Å; A1220-K1224 WeakPolarHBondContact O-CB 2.9Å; A1220-K1224 PolarHBondContact O-N 2.98Å |
| 1221 | N | 69.2 | Low | 68.4 | Low | 92 Ų | 92 | 107.2 Ų | 107.2 | 49% | 0.492 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -78.9 | -22.3 | 168.1 | -73.9 | 0.5 | 0 | 0 | 0 | 112.2 | R1217 A1218 K1219 N1225 | R1217-N1221 WeakPolarHBondContact O-CA 3.28Å; R1217-N1221 WeakPolarHBondContact O-CB 3.42Å; R1217-N1221 PolarHBondContact O-N 2.6Å; A1218-N1221 CarbonylContact O-C 3.57Å; K1219-N1221 VanDerWaalsContact C-N 3.3Å; K1219-N1221 PolarHBondContact O-N 2.83Å; N1221-N1225 WeakPolarHBondContact O-CA 3.17Å; N1221-N1225 WeakPolarHBondContact O-CB 3.41Å; N1221-N1225 PolarHBondContact O-N 3.22Å; N1221-N1225 PolarHBondContact O-OD1 2.83Å; N1221-N1225 VanDerWaalsContact O-OD1 3.11Å |
| 1222 | L | 65.8 | Low | 68.4 | Low | 116 Ų | 116 | 106.1 Ų | 106.1 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -82.2 | -27.2 | 169.7 | -83.8 | 164 | 0 | 0 | 0 | 111.6 | A1218 K1219 K1226 | A1218-L1222 WeakPolarHBondContact O-CA 2.94Å; A1218-L1222 WeakPolarHBondContact O-CB 3.27Å; A1218-L1222 WeakPolarHBondContact O-CD1 3.39Å; A1218-L1222 WeakPolarHBondContact O-CG 3.35Å; A1218-L1222 PolarHBondContact O-N 3.48Å; K1219-L1222 CarbonylContact O-C 3.59Å; K1219-L1222 PolarHBondContact O-N 3.06Å; K1219-L1222 VanDerWaalsContact O-N 3.07Å; L1222-K1226 WeakPolarHBondContact O-CA 3.03Å; L1222-K1226 WeakPolarHBondContact O-CB 2.91Å; L1222-K1226 PolarHBondContact O-N 2.95Å |
| 1223 | D | 66.5 | Low | 68.2 | Low | 76 Ų | 76 | 106.7 Ų | 106.7 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -81.8 | -38 | 173.3 | -76.7 | -39.9 | 0 | 0 | 0 | 109.7 | K1219 K1226 Q1227 | K1219-D1223 WeakPolarHBondContact CE-OD2 2.97Å; K1219-D1223 WeakPolarHBondContact CG-OD2 3.25Å; K1219-D1223 WeakPolarHBondContact O-CB 3.28Å; K1219-D1223 PolarHBondContact O-N 2.8Å; D1223-K1226 PolarHBondContact O-N 3.46Å; D1223-Q1227 WeakPolarHBondContact O-CG 3.35Å; D1223-Q1227 PolarHBondContact O-N 2.63Å |
| 1224 | K | 69.3 | Low | 68.2 | Low | 141 Ų | 141 | 105.6 Ų | 105.6 | 61% | 0.613 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -63.3 | -56.9 | 164.1 | -89.3 | -170.2 | 168.5 | -173.3 | 0 | 111 | A1220 K1226 Q1227 T1228 | A1220-K1224 WeakPolarHBondContact O-CB 2.9Å; A1220-K1224 PolarHBondContact O-N 2.98Å; K1224-K1226 PolarHBondContact O-N 2.81Å; K1224-Q1227 CarbonylContact O-C 3.47Å; K1224-Q1227 WeakPolarHBondContact O-CA 3.34Å; K1224-Q1227 WeakPolarHBondContact O-CB 3.26Å; K1224-Q1227 PolarHBondContact O-N 2.82Å; K1224-T1228 PolarHBondContact O-N 2.93Å; K1224-T1228 PolarHBondContact O-OG1 2.79Å |
| 1225 | N | 69.5 | Low | 68.2 | Low | 87 Ų | 87 | 104.5 Ų | 104.5 | 47% | 0.465 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.9 | -17.5 | 178.3 | -64.1 | 7.3 | 0 | 0 | 0 | 111.6 | N1221 L1229 | N1221-N1225 WeakPolarHBondContact O-CA 3.17Å; N1221-N1225 WeakPolarHBondContact O-CB 3.41Å; N1221-N1225 PolarHBondContact O-N 3.22Å; N1221-N1225 PolarHBondContact O-OD1 2.83Å; N1221-N1225 VanDerWaalsContact O-OD1 3.11Å; N1225-L1229 WeakPolarHBondContact O-CA 3.23Å; N1225-L1229 WeakPolarHBondContact O-CB 3.12Å; N1225-L1229 VanDerWaalsContact O-CD1 3.32Å; N1225-L1229 WeakPolarHBondContact O-CD1 3.44Å; N1225-L1229 WeakPolarHBondContact O-CG 3.15Å; N1225-L1229 PolarHBondContact O-N 2.81Å |
| 1226 | K | 66.8 | Low | 67.7 | Low | 109 Ų | 109 | 100.7 Ų | 100.7 | 47% | 0.474 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -73.9 | -44.5 | 166.1 | 174.1 | -178.3 | 169.1 | -170.5 | 0 | 110.7 | L1222 D1223 K1224 T1228 L1229 E1230 | L1222-K1226 WeakPolarHBondContact O-CA 3.03Å; L1222-K1226 WeakPolarHBondContact O-CB 2.91Å; L1222-K1226 PolarHBondContact O-N 2.95Å; D1223-K1226 PolarHBondContact O-N 3.46Å; K1224-K1226 PolarHBondContact O-N 2.81Å; K1226-T1228 VanDerWaalsContact C-N 3.29Å; K1226-T1228 PolarHBondContact O-N 2.83Å; K1226-L1229 CarbonylContact O-C 3.55Å; K1226-L1229 PolarHBondContact O-N 2.9Å; K1226-E1230 VanDerWaalsContact CE-CD 3.48Å; K1226-E1230 WeakPolarHBondContact CE-OE1 3.33Å; K1226-E1230 HydrophobicContact CG-CG 4.15Å; K1226-E1230 IonicContact NZ-OE1 2.76Å; K1226-E1230 WeakPolarHBondContact O-CB 3.13Å; K1226-E1230 WeakPolarHBondContact O-CG 3.1Å; K1226-E1230 PolarHBondContact O-N 3.38Å |
| 1227 | Q | 68.1 | Low | 67.3 | Low | 142 Ų | 142 | 97.3 Ų | 97.3 | 66% | 0.664 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -62.6 | -37.6 | 171.7 | -73.4 | -176.6 | -11.2 | 0 | 0 | 111.9 | D1223 K1224 K1231 | D1223-Q1227 WeakPolarHBondContact O-CG 3.35Å; D1223-Q1227 PolarHBondContact O-N 2.63Å; K1224-Q1227 CarbonylContact O-C 3.47Å; K1224-Q1227 WeakPolarHBondContact O-CA 3.34Å; K1224-Q1227 WeakPolarHBondContact O-CB 3.26Å; K1224-Q1227 PolarHBondContact O-N 2.82Å; Q1227-K1231 VanDerWaalsContact O-CB 3.29Å; Q1227-K1231 WeakPolarHBondContact O-CB 3.35Å; Q1227-K1231 PolarHBondContact O-N 2.81Å |
| 1228 | T | 69.5 | Low | 67.1 | Low | 64 Ų | 64 | 91.5 Ų | 91.5 | 39% | 0.393 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.2 | -42.9 | 172.6 | -43 | 0 | 0 | 0 | 0 | 111 | K1224 K1226 K1231 E1232 | K1224-T1228 PolarHBondContact O-N 2.93Å; K1224-T1228 PolarHBondContact O-OG1 2.79Å; K1226-T1228 VanDerWaalsContact C-N 3.29Å; K1226-T1228 PolarHBondContact O-N 2.83Å; T1228-K1231 CarbonylContact O-C 3.57Å; T1228-K1231 PolarHBondContact O-N 3.42Å; T1228-E1232 HydrophobicContact CG2-CG 4.37Å; T1228-E1232 WeakPolarHBondContact CG2-OE1 3.18Å; T1228-E1232 VanDerWaalsContact O-CB 3.25Å; T1228-E1232 WeakPolarHBondContact O-CB 2.94Å; T1228-E1232 VanDerWaalsContact O-CG 3.27Å; T1228-E1232 WeakPolarHBondContact O-CG 3.13Å; T1228-E1232 PolarHBondContact O-N 3.3Å |
| 1229 | L | 61.5 | Low | 66.8 | Low | 90 Ų | 90 | 95 Ų | 95 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -75.9 | -20 | 176.9 | -74 | 164.9 | 0 | 0 | 0 | 113.6 | N1225 K1226 E1232 N1233 | N1225-L1229 WeakPolarHBondContact O-CA 3.23Å; N1225-L1229 WeakPolarHBondContact O-CB 3.12Å; N1225-L1229 VanDerWaalsContact O-CD1 3.32Å; N1225-L1229 WeakPolarHBondContact O-CD1 3.44Å; N1225-L1229 WeakPolarHBondContact O-CG 3.15Å; N1225-L1229 PolarHBondContact O-N 2.81Å; K1226-L1229 CarbonylContact O-C 3.55Å; K1226-L1229 PolarHBondContact O-N 2.9Å; L1229-E1232 WeakPolarHBondContact CD2-OE2 3.1Å; L1229-N1233 WeakPolarHBondContact O-CB 3.17Å; L1229-N1233 PolarHBondContact O-N 2.67Å; L1229-N1233 PolarHBondContact O-ND2 3.05Å |
| 1230 | E | 67.8 | Low | 66.1 | Low | 107 Ų | 107 | 95.1 Ų | 95.1 | 50% | 0.5 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -78 | -37.9 | 169.9 | -78.2 | 173.1 | 160.1 | 0 | 0 | 109.6 | K1226 N1233 A1234 | K1226-E1230 VanDerWaalsContact CE-CD 3.48Å; K1226-E1230 WeakPolarHBondContact CE-OE1 3.33Å; K1226-E1230 HydrophobicContact CG-CG 4.15Å; K1226-E1230 IonicContact NZ-OE1 2.76Å; K1226-E1230 WeakPolarHBondContact O-CB 3.13Å; K1226-E1230 WeakPolarHBondContact O-CG 3.1Å; K1226-E1230 PolarHBondContact O-N 3.38Å; E1230-N1233 PolarHBondContact O-N 2.87Å; E1230-A1234 PolarHBondContact O-N 3.01Å |
| 1231 | K | 72.4 | Confident | 66 | Low | 143 Ų | 143 | 103.2 Ų | 103.2 | 62% | 0.622 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.5 | -45.7 | 171.3 | -166.9 | -175.4 | 175.9 | -163.1 | 0 | 112.2 | Q1227 T1228 N1233 A1234 D1235 | Q1227-K1231 VanDerWaalsContact O-CB 3.29Å; Q1227-K1231 WeakPolarHBondContact O-CB 3.35Å; Q1227-K1231 PolarHBondContact O-N 2.81Å; T1228-K1231 CarbonylContact O-C 3.57Å; T1228-K1231 PolarHBondContact O-N 3.42Å; K1231-N1233 VanDerWaalsContact C-N 3.28Å; K1231-N1233 PolarHBondContact O-N 2.7Å; K1231-A1234 CarbonylContact O-C 3.48Å; K1231-A1234 WeakPolarHBondContact O-CA 3.42Å; K1231-A1234 VanDerWaalsContact O-CB 3.31Å; K1231-A1234 WeakPolarHBondContact O-CB 3.45Å; K1231-A1234 PolarHBondContact O-N 3.21Å; K1231-D1235 PolarHBondContact O-N 2.74Å |
| 1232 | E | 69.2 | Low | 65.7 | Low | 85 Ų | 85 | 103.7 Ų | 103.7 | 40% | 0.397 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -66.1 | -27.4 | 171.1 | -72.5 | 169.8 | -168 | 0 | 0 | 111.1 | T1228 L1229 L1236 | T1228-E1232 HydrophobicContact CG2-CG 4.37Å; T1228-E1232 WeakPolarHBondContact CG2-OE1 3.18Å; T1228-E1232 VanDerWaalsContact O-CB 3.25Å; T1228-E1232 WeakPolarHBondContact O-CB 2.94Å; T1228-E1232 VanDerWaalsContact O-CG 3.27Å; T1228-E1232 WeakPolarHBondContact O-CG 3.13Å; T1228-E1232 PolarHBondContact O-N 3.3Å; L1229-E1232 WeakPolarHBondContact CD2-OE2 3.1Å; E1232-L1236 HydrophobicContact CB-CD1 4.43Å; E1232-L1236 WeakPolarHBondContact O-CA 3.19Å; E1232-L1236 WeakPolarHBondContact O-CB 3.06Å; E1232-L1236 WeakPolarHBondContact O-CD1 3.32Å; E1232-L1236 WeakPolarHBondContact O-CG 3.34Å; E1232-L1236 PolarHBondContact O-N 3.37Å |
| 1233 | N | 61.9 | Low | 65.1 | Low | 108 Ų | 108 | 103.2 Ų | 103.2 | 58% | 0.578 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -69.4 | -33.6 | 167.2 | -97 | -75.8 | 0 | 0 | 0 | 111.9 | L1229 E1230 K1231 A1237 | L1229-N1233 WeakPolarHBondContact O-CB 3.17Å; L1229-N1233 PolarHBondContact O-N 2.67Å; L1229-N1233 PolarHBondContact O-ND2 3.05Å; E1230-N1233 PolarHBondContact O-N 2.87Å; K1231-N1233 VanDerWaalsContact C-N 3.28Å; K1231-N1233 PolarHBondContact O-N 2.7Å; N1233-A1237 WeakPolarHBondContact O-CB 3.48Å; N1233-A1237 PolarHBondContact O-N 3.11Å |
| 1234 | A | 70.2 | Confident | 65 | Low | 65 Ų | 65 | 102.2 Ų | 102.2 | 54% | 0.537 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -67.6 | -43 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1230 K1231 A1237 G1238 | E1230-A1234 PolarHBondContact O-N 3.01Å; K1231-A1234 CarbonylContact O-C 3.48Å; K1231-A1234 WeakPolarHBondContact O-CA 3.42Å; K1231-A1234 VanDerWaalsContact O-CB 3.31Å; K1231-A1234 WeakPolarHBondContact O-CB 3.45Å; K1231-A1234 PolarHBondContact O-N 3.21Å; A1234-A1237 PolarHBondContact O-N 3.43Å; A1234-G1238 PolarHBondContact O-N 3.4Å |
| 1235 | D | 70.6 | Confident | 64.5 | Low | 100 Ų | 100 | 103.5 Ų | 103.5 | 54% | 0.535 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -74.3 | -39.4 | 179.4 | -66.8 | -35.3 | 0 | 0 | 0 | 112 | K1231 G1238 E1239 | K1231-D1235 PolarHBondContact O-N 2.74Å; D1235-G1238 CarbonylContact O-C 3.52Å; D1235-G1238 WeakPolarHBondContact O-CA 3.49Å; D1235-G1238 PolarHBondContact O-N 2.93Å; D1235-E1239 PolarHBondContact O-N 3.42Å |
| 1236 | L | 59.8 | Low | 63.8 | Low | 76 Ų | 76 | 102.3 Ų | 102.3 | 40% | 0.398 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.4 | -25.2 | 171.4 | -70.5 | 166.3 | 0 | 0 | 0 | 112.8 | E1232 G1238 E1239 L1240 | E1232-L1236 HydrophobicContact CB-CD1 4.43Å; E1232-L1236 WeakPolarHBondContact O-CA 3.19Å; E1232-L1236 WeakPolarHBondContact O-CB 3.06Å; E1232-L1236 WeakPolarHBondContact O-CD1 3.32Å; E1232-L1236 WeakPolarHBondContact O-CG 3.34Å; E1232-L1236 PolarHBondContact O-N 3.37Å; L1236-G1238 PolarHBondContact O-N 3.12Å; L1236-E1239 HydrophobicContact CD2-CB 4.37Å; L1236-E1239 PolarHBondContact O-N 3.01Å; L1236-L1240 WeakPolarHBondContact O-CB 3.34Å; L1236-L1240 VanDerWaalsContact O-CG 3.31Å; L1236-L1240 WeakPolarHBondContact O-CG 2.97Å; L1236-L1240 PolarHBondContact O-N 3.47Å |
| 1237 | A | 60.5 | Low | 63.1 | Low | 63 Ų | 63 | 104.8 Ų | 104.8 | 52% | 0.521 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.8 | -26.6 | 165.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | N1233 A1234 | N1233-A1237 WeakPolarHBondContact O-CB 3.48Å; N1233-A1237 PolarHBondContact O-N 3.11Å; A1234-A1237 PolarHBondContact O-N 3.43Å |
| 1238 | G | 66.9 | Low | 62.8 | Low | 40 Ų | 40 | 106.2 Ų | 106.2 | 41% | 0.412 | 57% | 0.569 | S | S | . | * | H | α-helix | trans | -67.9 | -54.6 | 162.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1234 D1235 L1236 L1240 R1241 | A1234-G1238 PolarHBondContact O-N 3.4Å; D1235-G1238 CarbonylContact O-C 3.52Å; D1235-G1238 WeakPolarHBondContact O-CA 3.49Å; D1235-G1238 PolarHBondContact O-N 2.93Å; L1236-G1238 PolarHBondContact O-N 3.12Å; G1238-L1240 PolarHBondContact O-N 2.99Å; G1238-R1241 WeakPolarHBondContact O-CB 2.93Å; G1238-R1241 PolarHBondContact O-N 3.27Å; G1238-R1241 VanDerWaalsContact O-N 3.14Å |
| 1239 | E | 62.2 | Low | 62.3 | Low | 121 Ų | 121 | 111.5 Ų | 111.5 | 57% | 0.565 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -67.8 | -35.7 | -175.6 | -63.9 | -148.5 | 135.1 | 0 | 0 | 114.2 | D1235 L1236 R1241 V1242 L1243 | D1235-E1239 PolarHBondContact O-N 3.42Å; L1236-E1239 HydrophobicContact CD2-CB 4.37Å; L1236-E1239 PolarHBondContact O-N 3.01Å; E1239-R1241 PolarHBondContact O-N 3.14Å; E1239-R1241 VanDerWaalsContact O-N 3.16Å; E1239-V1242 CarbonylContact O-C 3.57Å; E1239-V1242 WeakPolarHBondContact O-CA 3.46Å; E1239-V1242 WeakPolarHBondContact O-CB 3.42Å; E1239-V1242 PolarHBondContact O-N 2.83Å; E1239-L1243 PolarHBondContact O-N 2.69Å |
| 1240 | L | 53.3 | Low | 62 | Low | 121 Ų | 121 | 112.2 Ų | 112.2 | 63% | 0.634 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -57.1 | -30.3 | 172.9 | -83.1 | 164.5 | 0 | 0 | 0 | 111.8 | L1236 G1238 V1242 G1244 | L1236-L1240 WeakPolarHBondContact O-CB 3.34Å; L1236-L1240 VanDerWaalsContact O-CG 3.31Å; L1236-L1240 WeakPolarHBondContact O-CG 2.97Å; L1236-L1240 PolarHBondContact O-N 3.47Å; G1238-L1240 PolarHBondContact O-N 2.99Å; L1240-V1242 PolarHBondContact O-N 3.37Å; L1240-G1244 PolarHBondContact O-N 3.41Å; L1240-G1244 VanDerWaalsContact O-N 3.16Å |
| 1241 | R | 64.7 | Low | 61.6 | Low | 221 Ų | 221 | 113.4 Ų | 113.4 | 83% | 0.834 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -69.3 | -20.3 | 174.5 | -141.4 | 174.5 | -167.3 | 161.9 | 5.3 | 113.1 | G1238 E1239 | G1238-R1241 WeakPolarHBondContact O-CB 2.93Å; G1238-R1241 PolarHBondContact O-N 3.27Å; G1238-R1241 VanDerWaalsContact O-N 3.14Å; E1239-R1241 PolarHBondContact O-N 3.14Å; E1239-R1241 VanDerWaalsContact O-N 3.16Å |
| 1242 | V | 62.9 | Low | 60.9 | Low | 103 Ų | 103 | 114.7 Ų | 114.7 | 62% | 0.624 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -96.9 | -46.2 | 175.2 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | E1239 L1240 G1244 Q1245 | E1239-V1242 CarbonylContact O-C 3.57Å; E1239-V1242 WeakPolarHBondContact O-CA 3.46Å; E1239-V1242 WeakPolarHBondContact O-CB 3.42Å; E1239-V1242 PolarHBondContact O-N 2.83Å; L1240-V1242 PolarHBondContact O-N 3.37Å; V1242-G1244 PolarHBondContact O-N 2.94Å; V1242-G1244 VanDerWaalsContact O-N 3.14Å; V1242-Q1245 PolarHBondContact O-N 2.84Å |
| 1243 | L | 54 | Low | 60.6 | Low | 105 Ų | 105 | 118.9 Ų | 118.9 | 55% | 0.55 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -61.2 | -24.1 | -179.8 | -127.1 | 165.6 | 0 | 0 | 0 | 112.6 | E1239 Q1245 A1246 | E1239-L1243 PolarHBondContact O-N 2.69Å; L1243-Q1245 PolarHBondContact O-N 2.92Å; L1243-Q1245 VanDerWaalsContact O-N 3.1Å; L1243-A1246 HydrophobicContact CD2-CB 4.46Å; L1243-A1246 PolarHBondContact O-N 3.33Å |
| 1244 | G | 63.1 | Low | 60.3 | Low | 55 Ų | 55 | 120 Ų | 120 | 57% | 0.567 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.2 | -21.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 115.1 | L1240 V1242 | L1240-G1244 PolarHBondContact O-N 3.41Å; L1240-G1244 VanDerWaalsContact O-N 3.16Å; V1242-G1244 PolarHBondContact O-N 2.94Å; V1242-G1244 VanDerWaalsContact O-N 3.14Å |
| 1245 | Q | 59.1 | Low | 59.7 | Low | 168 Ų | 168 | 123.9 Ų | 123.9 | 79% | 0.785 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.8 | -25.2 | 175.2 | -62.3 | -172.2 | -5.8 | 0 | 0 | 113.7 | V1242 L1243 | V1242-Q1245 PolarHBondContact O-N 2.84Å; L1243-Q1245 PolarHBondContact O-N 2.92Å; L1243-Q1245 VanDerWaalsContact O-N 3.1Å |
| 1246 | A | 55.4 | Low | 59.2 | Low | 63 Ų | 63 | 127.3 Ų | 127.3 | 52% | 0.521 | 64% | 0.642 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.3 | -20 | -173 | 0 | 0 | 0 | 0 | 0 | 114.4 | L1243 Q1248 | L1243-A1246 HydrophobicContact CD2-CB 4.46Å; L1243-A1246 PolarHBondContact O-N 3.33Å; A1246-Q1248 PolarHBondContact O-N 3.43Å; A1246-Q1248 VanDerWaalsContact O-N 3.15Å |
| 1247 | K | 52.4 | Low | 59.1 | Low | 160 Ų | 160 | 129.1 Ų | 129.1 | 70% | 0.696 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66 | -18.9 | -170.7 | -164.9 | 170.6 | 179 | 177.6 | 0 | 114.6 | E1249 | K1247-E1249 PolarHBondContact O-N 2.79Š|
| 1248 | Q | 60.5 | Low | 59 | Low | 172 Ų | 172 | 129.7 Ų | 129.7 | 80% | 0.804 | 64% | 0.643 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.6 | -27 | -172.1 | -69 | -171.5 | -12.9 | 0 | 0 | 115.1 | A1246 | A1246-Q1248 PolarHBondContact O-N 3.43Å; A1246-Q1248 VanDerWaalsContact O-N 3.15Å |
| 1249 | E | 59.3 | Low | 58.7 | Low | 175 Ų | 175 | 130.6 Ų | 130.6 | 82% | 0.818 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.1 | -24.6 | -176.4 | -64.8 | -160.8 | 137.7 | 0 | 0 | 114.4 | K1247 | K1247-E1249 PolarHBondContact O-N 2.79Š|
| 1250 | V | 56.5 | Low | 58.5 | Low | 105 Ų | 105 | 131.3 Ų | 131.3 | 64% | 0.636 | 65% | 0.65 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -27.7 | -170.1 | -179.9 | 0 | 0 | 0 | 0 | 112.8 | H1252 K1253 | V1250-H1252 PolarHBondContact O-N 2.9Å; V1250-H1252 VanDerWaalsContact O-N 3.08Å; V1250-K1253 PolarHBondContact O-N 3.37Å |
| 1251 | E | 58.2 | Low | 58.7 | Low | 133 Ų | 133 | 129.1 Ų | 129.1 | 62% | 0.621 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -54.8 | -32.5 | -177.9 | -69.8 | -151.2 | 117.6 | 0 | 0 | 113.5 | K1253 K1254 | E1251-K1253 VanDerWaalsContact C-N 3.3Å; E1251-K1253 PolarHBondContact O-N 2.98Å; E1251-K1254 PolarHBondContact O-N 3.49Å |
| 1252 | H | 59.1 | Low | 58.7 | Low | 169 Ų | 169 | 122.7 Ų | 122.7 | 78% | 0.782 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -72.5 | -20.5 | -173.8 | -148.1 | -42 | 0 | 0 | 0 | 113.9 | V1250 | V1250-H1252 PolarHBondContact O-N 2.9Å; V1250-H1252 VanDerWaalsContact O-N 3.08Å |
| 1253 | K | 62 | Low | 58.9 | Low | 173 Ų | 173 | 123.5 Ų | 123.5 | 75% | 0.752 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -86 | -35.7 | 173.3 | -76.9 | 179.6 | -179.9 | 170.2 | 0 | 112.6 | V1250 E1251 K1255 K1256 | V1250-K1253 PolarHBondContact O-N 3.37Å; E1251-K1253 VanDerWaalsContact C-N 3.3Å; E1251-K1253 PolarHBondContact O-N 2.98Å; K1253-K1255 PolarHBondContact O-N 3.04Å; K1253-K1256 PolarHBondContact O-N 3Å |
| 1254 | K | 55.2 | Low | 59.2 | Low | 133 Ų | 133 | 124.7 Ų | 124.7 | 58% | 0.578 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -55.5 | -49.7 | -174.1 | -160.2 | -172.5 | -174.9 | -120.3 | 0 | 112.2 | E1251 K1256 L1257 E1258 | E1251-K1254 PolarHBondContact O-N 3.49Å; K1254-K1256 PolarHBondContact O-N 2.69Å; K1254-L1257 PolarHBondContact O-N 2.65Å; K1254-L1257 VanDerWaalsContact O-N 3.15Å; K1254-E1258 WeakPolarHBondContact CD-OE1 3.39Å; K1254-E1258 VanDerWaalsContact CE-OE1 3.23Å; K1254-E1258 WeakPolarHBondContact CE-OE1 3.31Å; K1254-E1258 HydrophobicContact CG-CG 4.31Å; K1254-E1258 WeakPolarHBondContact CG-OE1 3.49Å; K1254-E1258 IonicContact NZ-OE1 2.94Å; K1254-E1258 PolarHBondContact NZ-OE1 2.65Å; K1254-E1258 WeakPolarHBondContact O-CG 3.33Å; K1254-E1258 PolarHBondContact O-N 2.72Å |
| 1255 | K | 58.7 | Low | 59 | Low | 146 Ų | 146 | 127.7 Ų | 127.7 | 64% | 0.635 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -55.5 | -22.4 | -179 | -71.5 | -179.4 | 178.7 | 173.1 | 0 | 115.2 | K1253 E1258 | K1253-K1255 PolarHBondContact O-N 3.04Å; K1255-E1258 WeakPolarHBondContact CA-OE2 3.41Å |
| 1256 | K | 60.5 | Low | 59.3 | Low | 171 Ų | 171 | 122 Ų | 122 | 74% | 0.743 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -92.2 | -29.2 | -178.4 | -151.8 | 171.7 | -173.2 | 177.9 | 0 | 113.3 | K1253 K1254 | K1253-K1256 PolarHBondContact O-N 3Å; K1254-K1256 PolarHBondContact O-N 2.69Å |
| 1257 | L | 57.8 | Low | 60 | Low | 115 Ų | 115 | 125.5 Ų | 125.5 | 60% | 0.602 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -75.9 | -37.4 | 170.1 | -75.8 | 166.5 | 0 | 0 | 0 | 111.3 | K1254 A1259 Q1260 V1261 | K1254-L1257 PolarHBondContact O-N 2.65Å; K1254-L1257 VanDerWaalsContact O-N 3.15Å; L1257-A1259 PolarHBondContact O-N 2.85Å; L1257-Q1260 PolarHBondContact O-N 2.9Å; L1257-Q1260 VanDerWaalsContact O-N 3.12Å; L1257-V1261 WeakPolarHBondContact O-CG2 3.31Å; L1257-V1261 PolarHBondContact O-N 2.67Å |
| 1258 | E | 56.8 | Low | 60.3 | Low | 74 Ų | 74 | 121 Ų | 121 | 35% | 0.346 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -55 | -24.4 | 174.4 | -74 | 172.3 | 160.7 | 0 | 0 | 113.3 | K1254 K1255 Q1262 | K1254-E1258 WeakPolarHBondContact CD-OE1 3.39Å; K1254-E1258 VanDerWaalsContact CE-OE1 3.23Å; K1254-E1258 WeakPolarHBondContact CE-OE1 3.31Å; K1254-E1258 HydrophobicContact CG-CG 4.31Å; K1254-E1258 WeakPolarHBondContact CG-OE1 3.49Å; K1254-E1258 IonicContact NZ-OE1 2.94Å; K1254-E1258 PolarHBondContact NZ-OE1 2.65Å; K1254-E1258 WeakPolarHBondContact O-CG 3.33Å; K1254-E1258 PolarHBondContact O-N 2.72Å; K1255-E1258 WeakPolarHBondContact CA-OE2 3.41Å; E1258-Q1262 WeakPolarHBondContact O-CG 3.5Å; E1258-Q1262 PolarHBondContact O-N 2.69Å; E1258-Q1262 PolarHBondContact O-NE2 2.73Å |
| 1259 | A | 60.7 | Low | 60.5 | Low | 59 Ų | 59 | 114.9 Ų | 114.9 | 49% | 0.488 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -79.7 | -41.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1257 Q1262 | L1257-A1259 PolarHBondContact O-N 2.85Å; A1259-Q1262 PolarHBondContact O-N 3.34Å |
| 1260 | Q | 58.8 | Low | 61 | Low | 137 Ų | 137 | 110.4 Ų | 110.4 | 64% | 0.64 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -78.6 | -31.5 | 177.8 | -72.8 | -172.6 | -53 | 0 | 0 | 112.3 | L1257 Q1262 E1263 L1264 | L1257-Q1260 PolarHBondContact O-N 2.9Å; L1257-Q1260 VanDerWaalsContact O-N 3.12Å; Q1260-Q1262 PolarHBondContact O-N 2.61Å; Q1260-E1263 PolarHBondContact O-N 2.68Å; Q1260-L1264 PolarHBondContact O-N 3.07Å |
| 1261 | V | 57.1 | Low | 61.4 | Low | 74 Ų | 74 | 107.5 Ų | 107.5 | 45% | 0.448 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61 | -35.5 | 168.6 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | L1257 E1263 L1264 Q1265 | L1257-V1261 WeakPolarHBondContact O-CG2 3.31Å; L1257-V1261 PolarHBondContact O-N 2.67Å; V1261-E1263 VanDerWaalsContact C-N 3.35Å; V1261-E1263 PolarHBondContact O-N 2.73Å; V1261-L1264 PolarHBondContact O-N 3.18Å; V1261-Q1265 HydrophobicContact CG1-CG 4.07Å; V1261-Q1265 VanDerWaalsContact O-CB 3.23Å; V1261-Q1265 WeakPolarHBondContact O-CB 3.27Å; V1261-Q1265 VanDerWaalsContact O-CG 3.27Å; V1261-Q1265 WeakPolarHBondContact O-CG 3.29Å; V1261-Q1265 PolarHBondContact O-N 2.81Å |
| 1262 | Q | 63.9 | Low | 61.6 | Low | 87 Ų | 87 | 106.5 Ų | 106.5 | 41% | 0.407 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.2 | -28.6 | 175.2 | -89.7 | 165.9 | 70.7 | 0 | 0 | 114.7 | E1258 A1259 Q1260 S1266 | E1258-Q1262 WeakPolarHBondContact O-CG 3.5Å; E1258-Q1262 PolarHBondContact O-N 2.69Å; E1258-Q1262 PolarHBondContact O-NE2 2.73Å; A1259-Q1262 PolarHBondContact O-N 3.34Å; Q1260-Q1262 PolarHBondContact O-N 2.61Å; Q1262-S1266 PolarHBondContact O-N 3.26Å |
| 1263 | E | 68 | Low | 62.1 | Low | 120 Ų | 120 | 104.2 Ų | 104.2 | 56% | 0.561 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -82.5 | -32.7 | 175.9 | -163.1 | -173.5 | 168.6 | 0 | 0 | 112.4 | Q1260 V1261 S1266 K1267 | Q1260-E1263 PolarHBondContact O-N 2.68Å; V1261-E1263 VanDerWaalsContact C-N 3.35Å; V1261-E1263 PolarHBondContact O-N 2.73Å; E1263-S1266 PolarHBondContact O-N 3.39Å; E1263-S1266 PolarHBondContact O-OG 2.87Å; E1263-K1267 PolarHBondContact O-N 3.21Å |
| 1264 | L | 59.6 | Low | 62.5 | Low | 129 Ų | 129 | 98.8 Ų | 98.8 | 68% | 0.675 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -72.3 | -35.9 | 169.2 | -74.6 | 172.2 | 0 | 0 | 0 | 111.5 | Q1260 V1261 S1266 K1267 C1268 | Q1260-L1264 PolarHBondContact O-N 3.07Å; V1261-L1264 PolarHBondContact O-N 3.18Å; L1264-S1266 VanDerWaalsContact C-N 3.33Å; L1264-K1267 PolarHBondContact O-N 3.09Å; L1264-C1268 VanDerWaalsContact O-CB 3.27Å; L1264-C1268 WeakPolarHBondContact O-CB 3.19Å; L1264-C1268 PolarHBondContact O-N 2.63Å |
| 1265 | Q | 58.8 | Low | 63.1 | Low | 118 Ų | 118 | 101.2 Ų | 101.2 | 55% | 0.551 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65.2 | -31.3 | 168.9 | -77.8 | -179.3 | -52.8 | 0 | 0 | 112.1 | V1261 S1269 | V1261-Q1265 HydrophobicContact CG1-CG 4.07Å; V1261-Q1265 VanDerWaalsContact O-CB 3.23Å; V1261-Q1265 WeakPolarHBondContact O-CB 3.27Å; V1261-Q1265 VanDerWaalsContact O-CG 3.27Å; V1261-Q1265 WeakPolarHBondContact O-CG 3.29Å; V1261-Q1265 PolarHBondContact O-N 2.81Å; Q1265-S1269 WeakPolarHBondContact O-CA 3.43Å; Q1265-S1269 WeakPolarHBondContact O-CB 3.44Å; Q1265-S1269 PolarHBondContact O-N 3.09Å; Q1265-S1269 PolarHBondContact O-OG 3.07Å |
| 1266 | S | 66.1 | Low | 63.5 | Low | 50 Ų | 50 | 96.3 Ų | 96.3 | 35% | 0.35 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.3 | -46.2 | 175.6 | 74.7 | 0 | 0 | 0 | 0 | 111.3 | Q1262 E1263 L1264 S1269 D1270 | Q1262-S1266 PolarHBondContact O-N 3.26Å; E1263-S1266 PolarHBondContact O-N 3.39Å; E1263-S1266 PolarHBondContact O-OG 2.87Å; L1264-S1266 VanDerWaalsContact C-N 3.33Å; S1266-S1269 CarbonylContact O-C 3.5Å; S1266-S1269 PolarHBondContact O-N 3.16Å; S1266-S1269 PolarHBondContact O-OG 3.37Å; S1266-D1270 PolarHBondContact O-N 2.72Å |
| 1267 | K | 69.8 | Low | 64.1 | Low | 136 Ų | 136 | 93.8 Ų | 93.8 | 59% | 0.591 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -69.8 | -35.7 | 175.5 | -75.1 | 173.2 | 179.9 | 155.8 | 0 | 113.6 | E1263 L1264 S1269 D1270 G1271 | E1263-K1267 PolarHBondContact O-N 3.21Å; L1264-K1267 PolarHBondContact O-N 3.09Å; K1267-S1269 VanDerWaalsContact C-N 3.32Å; K1267-D1270 PolarHBondContact O-N 3.11Å; K1267-G1271 PolarHBondContact O-N 2.99Å |
| 1268 | C | 59.7 | Low | 64.7 | Low | 65 Ų | 65 | 93.7 Ų | 93.7 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.4 | -42.6 | 169.5 | -150.2 | 0 | 0 | 0 | 0 | 109.6 | L1264 D1270 G1271 E1272 | L1264-C1268 VanDerWaalsContact O-CB 3.27Å; L1264-C1268 WeakPolarHBondContact O-CB 3.19Å; L1264-C1268 PolarHBondContact O-N 2.63Å; C1268-D1270 VanDerWaalsContact C-N 3.28Å; C1268-D1270 PolarHBondContact O-N 2.9Å; C1268-G1271 CarbonylContact O-C 3.54Å; C1268-G1271 PolarHBondContact O-N 2.85Å; C1268-G1271 VanDerWaalsContact O-N 3.17Å; C1268-E1272 VanDerWaalsContact O-CB 3.25Å; C1268-E1272 WeakPolarHBondContact O-CB 3.37Å; C1268-E1272 WeakPolarHBondContact O-CG 3.31Å; C1268-E1272 PolarHBondContact O-N 2.8Å; C1268-E1272 PolarHBondContact SG-OE1 3.05Å |
| 1269 | S | 63.1 | Low | 65.3 | Low | 44 Ų | 44 | 94.6 Ų | 94.6 | 31% | 0.308 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -21.2 | 175.8 | 84 | 0 | 0 | 0 | 0 | 114 | Q1265 S1266 K1267 R1273 | Q1265-S1269 WeakPolarHBondContact O-CA 3.43Å; Q1265-S1269 WeakPolarHBondContact O-CB 3.44Å; Q1265-S1269 PolarHBondContact O-N 3.09Å; Q1265-S1269 PolarHBondContact O-OG 3.07Å; S1266-S1269 CarbonylContact O-C 3.5Å; S1266-S1269 PolarHBondContact O-N 3.16Å; S1266-S1269 PolarHBondContact O-OG 3.37Å; K1267-S1269 VanDerWaalsContact C-N 3.32Å; S1269-R1273 WeakPolarHBondContact O-CA 3.39Å; S1269-R1273 WeakPolarHBondContact O-CB 3.21Å; S1269-R1273 PolarHBondContact O-N 2.87Å; S1269-R1273 PolarHBondContact O-NH2 2.97Å; S1269-R1273 PolarHBondContact OG-NH2 3.42Å |
| 1270 | D | 71.3 | Confident | 65.8 | Low | 81 Ų | 81 | 96.1 Ų | 96.1 | 43% | 0.433 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80.9 | -39 | 171.6 | -76.2 | -15.3 | 0 | 0 | 0 | 110.6 | S1266 K1267 C1268 R1273 A1274 | S1266-D1270 PolarHBondContact O-N 2.72Å; K1267-D1270 PolarHBondContact O-N 3.11Å; C1268-D1270 VanDerWaalsContact C-N 3.28Å; C1268-D1270 PolarHBondContact O-N 2.9Å; D1270-R1273 PolarHBondContact O-N 2.69Å; D1270-R1273 IonicContact OD1-CZ 3.8Å; D1270-R1273 IonicContact OD1-NH1 3.6Å; D1270-R1273 PolarHBondContact OD1-NH1 3.26Å; D1270-R1273 IonicContact OD1-NH2 2.71Å; D1270-R1273 PolarHBondContact OD1-NH2 2.98Å; D1270-A1274 WeakPolarHBondContact O-CB 3.44Å; D1270-A1274 PolarHBondContact O-N 2.62Å |
| 1271 | G | 64.9 | Low | 66.5 | Low | 44 Ų | 44 | 96.3 Ų | 96.3 | 45% | 0.454 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.1 | -37.5 | 170.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1267 C1268 R1275 | K1267-G1271 PolarHBondContact O-N 2.99Å; C1268-G1271 CarbonylContact O-C 3.54Å; C1268-G1271 PolarHBondContact O-N 2.85Å; C1268-G1271 VanDerWaalsContact O-N 3.17Å; G1271-R1275 WeakPolarHBondContact O-CB 3.44Å; G1271-R1275 PolarHBondContact O-N 2.69Å |
| 1272 | E | 61 | Low | 67.2 | Low | 111 Ų | 111 | 95.7 Ų | 95.7 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -75.7 | -27.4 | 172.1 | -69.4 | 159.6 | 178.4 | 0 | 0 | 111.4 | C1268 R1275 A1276 | C1268-E1272 VanDerWaalsContact O-CB 3.25Å; C1268-E1272 WeakPolarHBondContact O-CB 3.37Å; C1268-E1272 WeakPolarHBondContact O-CG 3.31Å; C1268-E1272 PolarHBondContact O-N 2.8Å; C1268-E1272 PolarHBondContact SG-OE1 3.05Å; E1272-R1275 CarbonylContact O-C 3.54Å; E1272-A1276 VanDerWaalsContact O-CA 3.31Å; E1272-A1276 WeakPolarHBondContact O-CA 3.01Å; E1272-A1276 WeakPolarHBondContact O-CB 3.42Å; E1272-A1276 PolarHBondContact O-N 3.12Å |
| 1273 | R | 71 | Confident | 67.5 | Low | 122 Ų | 122 | 96 Ų | 96 | 46% | 0.46 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -75.4 | -37.2 | 169.5 | -167.5 | -177.9 | -39.5 | 107 | 23.4 | 111.4 | S1269 D1270 A1276 E1277 | S1269-R1273 WeakPolarHBondContact O-CA 3.39Å; S1269-R1273 WeakPolarHBondContact O-CB 3.21Å; S1269-R1273 PolarHBondContact O-N 2.87Å; S1269-R1273 PolarHBondContact O-NH2 2.97Å; S1269-R1273 PolarHBondContact OG-NH2 3.42Å; D1270-R1273 PolarHBondContact O-N 2.69Å; D1270-R1273 IonicContact OD1-CZ 3.8Å; D1270-R1273 IonicContact OD1-NH1 3.6Å; D1270-R1273 PolarHBondContact OD1-NH1 3.26Å; D1270-R1273 IonicContact OD1-NH2 2.71Å; D1270-R1273 PolarHBondContact OD1-NH2 2.98Å; R1273-A1276 CarbonylContact O-C 3.58Å; R1273-A1276 PolarHBondContact O-N 2.87Å; R1273-E1277 WeakPolarHBondContact O-CB 3.29Å; R1273-E1277 WeakPolarHBondContact O-CG 3.32Å; R1273-E1277 PolarHBondContact O-N 2.8Å |
| 1274 | A | 70.6 | Confident | 67.8 | Low | 58 Ų | 58 | 96.5 Ų | 96.5 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.7 | -42.9 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110.9 | D1270 A1276 E1277 L1278 | D1270-A1274 WeakPolarHBondContact O-CB 3.44Å; D1270-A1274 PolarHBondContact O-N 2.62Å; A1274-A1276 VanDerWaalsContact C-N 3.32Å; A1274-E1277 PolarHBondContact O-N 2.81Å; A1274-L1278 WeakPolarHBondContact O-CB 3.16Å; A1274-L1278 PolarHBondContact O-N 2.93Å |
| 1275 | R | 65.9 | Low | 68.3 | Low | 185 Ų | 185 | 95.2 Ų | 95.2 | 70% | 0.698 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -74.5 | -18.1 | 175.2 | -170 | 176.5 | 176.3 | -164.2 | -2.1 | 113.2 | G1271 E1272 N1279 | G1271-R1275 WeakPolarHBondContact O-CB 3.44Å; G1271-R1275 PolarHBondContact O-N 2.69Å; E1272-R1275 CarbonylContact O-C 3.54Å; R1275-N1279 WeakPolarHBondContact O-CA 3.25Å; R1275-N1279 WeakPolarHBondContact O-CB 3.41Å; R1275-N1279 PolarHBondContact O-N 2.91Å |
| 1276 | A | 67.4 | Low | 68.8 | Low | 43 Ų | 43 | 94 Ų | 94 | 36% | 0.355 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -94.4 | -15.5 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1272 R1273 A1274 D1280 | E1272-A1276 VanDerWaalsContact O-CA 3.31Å; E1272-A1276 WeakPolarHBondContact O-CA 3.01Å; E1272-A1276 WeakPolarHBondContact O-CB 3.42Å; E1272-A1276 PolarHBondContact O-N 3.12Å; R1273-A1276 CarbonylContact O-C 3.58Å; R1273-A1276 PolarHBondContact O-N 2.87Å; A1274-A1276 VanDerWaalsContact C-N 3.32Å; A1276-D1280 WeakPolarHBondContact O-CA 3.28Å; A1276-D1280 WeakPolarHBondContact O-CB 3.46Å; A1276-D1280 PolarHBondContact O-N 3.33Å |
| 1277 | E | 74.6 | Confident | 69.1 | Low | 117 Ų | 117 | 95.3 Ų | 95.3 | 55% | 0.547 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -82.3 | -31.5 | 162.5 | -80.3 | 179.4 | -148.8 | 0 | 0 | 110.5 | R1273 A1274 K1281 | R1273-E1277 WeakPolarHBondContact O-CB 3.29Å; R1273-E1277 WeakPolarHBondContact O-CG 3.32Å; R1273-E1277 PolarHBondContact O-N 2.8Å; A1274-E1277 PolarHBondContact O-N 2.81Å; E1277-K1281 VanDerWaalsContact O-CB 3.27Å; E1277-K1281 WeakPolarHBondContact O-CB 3.48Å; E1277-K1281 VanDerWaalsContact O-CG 3.29Å; E1277-K1281 WeakPolarHBondContact O-CG 3.45Å; E1277-K1281 PolarHBondContact O-N 3.43Å |
| 1278 | L | 70.3 | Confident | 69.3 | Low | 114 Ų | 114 | 94.1 Ų | 94.1 | 60% | 0.597 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -81.2 | -35.6 | 172.4 | -131.4 | 157 | 0 | 0 | 0 | 111.1 | A1274 K1281 V1282 | A1274-L1278 WeakPolarHBondContact O-CB 3.16Å; A1274-L1278 PolarHBondContact O-N 2.93Å; L1278-K1281 PolarHBondContact O-N 3.45Å; L1278-V1282 HydrophobicContact CD2-CG2 4.07Å; L1278-V1282 VanDerWaalsContact O-CB 3.25Å; L1278-V1282 WeakPolarHBondContact O-CB 2.88Å; L1278-V1282 VanDerWaalsContact O-CG2 3.24Å; L1278-V1282 WeakPolarHBondContact O-CG2 3.34Å; L1278-V1282 PolarHBondContact O-N 3.31Å |
| 1279 | N | 68.6 | Low | 69.8 | Low | 92 Ų | 92 | 95 Ų | 95 | 49% | 0.492 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -65.4 | -50.7 | 160.6 | -88.7 | 19 | 0 | 0 | 0 | 109.6 | R1275 K1281 V1282 H1283 | R1275-N1279 WeakPolarHBondContact O-CA 3.25Å; R1275-N1279 WeakPolarHBondContact O-CB 3.41Å; R1275-N1279 PolarHBondContact O-N 2.91Å; N1279-K1281 PolarHBondContact O-N 3.01Å; N1279-V1282 CarbonylContact O-C 3.57Å; N1279-V1282 PolarHBondContact O-N 3.29Å; N1279-H1283 VanDerWaalsContact O-CA 3.27Å; N1279-H1283 WeakPolarHBondContact O-CA 3.39Å; N1279-H1283 WeakPolarHBondContact O-CB 3.12Å; N1279-H1283 PolarHBondContact O-N 3.47Å |
| 1280 | D | 71.5 | Confident | 70.1 | Confident | 92 Ų | 92 | 98.1 Ų | 98.1 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.1 | -18 | 177 | -80.5 | 0.5 | 0 | 0 | 0 | 113.3 | A1276 K1284 | A1276-D1280 WeakPolarHBondContact O-CA 3.28Å; A1276-D1280 WeakPolarHBondContact O-CB 3.46Å; A1276-D1280 PolarHBondContact O-N 3.33Å; D1280-K1284 WeakPolarHBondContact O-CA 2.84Å; D1280-K1284 WeakPolarHBondContact O-CB 3.24Å; D1280-K1284 WeakPolarHBondContact O-CD 3.21Å; D1280-K1284 WeakPolarHBondContact O-CG 2.91Å; D1280-K1284 PolarHBondContact O-N 2.98Å |
| 1281 | K | 74.3 | Confident | 70.2 | Confident | 141 Ų | 141 | 96.9 Ų | 96.9 | 61% | 0.613 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -86 | -39.6 | 166.9 | -82.1 | 174.9 | 177.6 | 169.9 | 0 | 113.3 | E1277 L1278 N1279 H1283 L1285 | E1277-K1281 VanDerWaalsContact O-CB 3.27Å; E1277-K1281 WeakPolarHBondContact O-CB 3.48Å; E1277-K1281 VanDerWaalsContact O-CG 3.29Å; E1277-K1281 WeakPolarHBondContact O-CG 3.45Å; E1277-K1281 PolarHBondContact O-N 3.43Å; L1278-K1281 PolarHBondContact O-N 3.45Å; N1279-K1281 PolarHBondContact O-N 3.01Å; K1281-H1283 PolarHBondContact O-N 2.91Å; K1281-L1285 WeakPolarHBondContact O-CB 3.46Å; K1281-L1285 WeakPolarHBondContact O-CD1 3.41Å; K1281-L1285 WeakPolarHBondContact O-CG 3.15Å; K1281-L1285 PolarHBondContact O-N 3.22Å |
| 1282 | V | 71.7 | Confident | 70.7 | Confident | 60 Ų | 60 | 99 Ų | 99 | 36% | 0.364 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.9 | -18.2 | 173.6 | 169.2 | 0 | 0 | 0 | 0 | 111.7 | L1278 N1279 L1285 Q1286 | L1278-V1282 HydrophobicContact CD2-CG2 4.07Å; L1278-V1282 VanDerWaalsContact O-CB 3.25Å; L1278-V1282 WeakPolarHBondContact O-CB 2.88Å; L1278-V1282 VanDerWaalsContact O-CG2 3.24Å; L1278-V1282 WeakPolarHBondContact O-CG2 3.34Å; L1278-V1282 PolarHBondContact O-N 3.31Å; N1279-V1282 CarbonylContact O-C 3.57Å; N1279-V1282 PolarHBondContact O-N 3.29Å; V1282-L1285 CarbonylContact O-C 3.57Å; V1282-Q1286 WeakPolarHBondContact O-CA 3.45Å; V1282-Q1286 WeakPolarHBondContact O-CB 3.31Å; V1282-Q1286 WeakPolarHBondContact O-CG 3.49Å; V1282-Q1286 PolarHBondContact O-N 2.72Å; V1282-Q1286 PolarHBondContact O-OE1 2.72Å |
| 1283 | H | 69.3 | Low | 71.2 | Confident | 93 Ų | 93 | 96.6 Ų | 96.6 | 43% | 0.431 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -109.9 | -18.5 | -177.9 | -162.7 | 33.5 | 0 | 0 | 0 | 110.6 | N1279 K1281 N1287 | N1279-H1283 VanDerWaalsContact O-CA 3.27Å; N1279-H1283 WeakPolarHBondContact O-CA 3.39Å; N1279-H1283 WeakPolarHBondContact O-CB 3.12Å; N1279-H1283 PolarHBondContact O-N 3.47Å; K1281-H1283 PolarHBondContact O-N 2.91Å; H1283-N1287 PolarHBondContact CE1-OD1 2.68Å; H1283-N1287 VanDerWaalsContact CE1-OD1 3.29Å; H1283-N1287 PolarHBondContact ND1-OD1 2.97Å; H1283-N1287 WeakPolarHBondContact O-CA 2.98Å; H1283-N1287 WeakPolarHBondContact O-CB 3.4Å; H1283-N1287 PolarHBondContact O-N 3.34Å; H1283-N1287 PolarHBondContact O-ND2 3.01Å; H1283-N1287 PolarHBondContact O-OD1 2.89Å |
| 1284 | K | 73.7 | Confident | 71.2 | Confident | 132 Ų | 132 | 91.9 Ų | 91.9 | 57% | 0.574 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.7 | -39.3 | 148.6 | -80.6 | 172.3 | -179.9 | 174.3 | 0 | 111.3 | D1280 N1287 E1288 | D1280-K1284 WeakPolarHBondContact O-CA 2.84Å; D1280-K1284 WeakPolarHBondContact O-CB 3.24Å; D1280-K1284 WeakPolarHBondContact O-CD 3.21Å; D1280-K1284 WeakPolarHBondContact O-CG 2.91Å; D1280-K1284 PolarHBondContact O-N 2.98Å; K1284-N1287 CarbonylContact O-C 3.49Å; K1284-N1287 PolarHBondContact O-N 2.88Å; K1284-E1288 WeakPolarHBondContact O-CA 3.4Å; K1284-E1288 WeakPolarHBondContact O-CB 3.38Å; K1284-E1288 WeakPolarHBondContact O-CG 3.14Å; K1284-E1288 PolarHBondContact O-N 3.25Å |
| 1285 | L | 71 | Confident | 71.3 | Confident | 101 Ų | 101 | 94.3 Ų | 94.3 | 53% | 0.529 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.4 | -28.6 | 174.1 | -72.2 | 167.6 | 0 | 0 | 0 | 112.2 | K1281 V1282 V1289 | K1281-L1285 WeakPolarHBondContact O-CB 3.46Å; K1281-L1285 WeakPolarHBondContact O-CD1 3.41Å; K1281-L1285 WeakPolarHBondContact O-CG 3.15Å; K1281-L1285 PolarHBondContact O-N 3.22Å; V1282-L1285 CarbonylContact O-C 3.57Å; L1285-V1289 WeakPolarHBondContact O-CA 3.03Å; L1285-V1289 WeakPolarHBondContact O-CB 3.45Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.44Å; L1285-V1289 PolarHBondContact O-N 2.76Å |
| 1286 | Q | 69 | Low | 71.6 | Confident | 92 Ų | 92 | 89.1 Ų | 89.1 | 43% | 0.43 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -82.8 | -23 | 167.4 | -77.3 | 175.6 | -82.8 | 0 | 0 | 112.1 | V1282 E1290 | V1282-Q1286 WeakPolarHBondContact O-CA 3.45Å; V1282-Q1286 WeakPolarHBondContact O-CB 3.31Å; V1282-Q1286 WeakPolarHBondContact O-CG 3.49Å; V1282-Q1286 PolarHBondContact O-N 2.72Å; V1282-Q1286 PolarHBondContact O-OE1 2.72Å; Q1286-E1290 VanDerWaalsContact O-CA 3.31Å; Q1286-E1290 WeakPolarHBondContact O-CA 3.17Å; Q1286-E1290 WeakPolarHBondContact O-CB 3.42Å; Q1286-E1290 WeakPolarHBondContact O-CG 2.82Å; Q1286-E1290 PolarHBondContact O-N 2.89Å |
| 1287 | N | 72 | Confident | 71.8 | Confident | 79 Ų | 79 | 92 Ų | 92 | 42% | 0.422 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -85 | -16 | 168 | -65.6 | -6.8 | 0 | 0 | 0 | 111.7 | H1283 K1284 S1291 | H1283-N1287 PolarHBondContact CE1-OD1 2.68Å; H1283-N1287 VanDerWaalsContact CE1-OD1 3.29Å; H1283-N1287 PolarHBondContact ND1-OD1 2.97Å; H1283-N1287 WeakPolarHBondContact O-CA 2.98Å; H1283-N1287 WeakPolarHBondContact O-CB 3.4Å; H1283-N1287 PolarHBondContact O-N 3.34Å; H1283-N1287 PolarHBondContact O-ND2 3.01Å; H1283-N1287 PolarHBondContact O-OD1 2.89Å; K1284-N1287 CarbonylContact O-C 3.49Å; K1284-N1287 PolarHBondContact O-N 2.88Å; N1287-S1291 WeakPolarHBondContact O-CA 3.25Å; N1287-S1291 WeakPolarHBondContact O-CB 2.95Å; N1287-S1291 PolarHBondContact O-N 3.35Å |
| 1288 | E | 74 | Confident | 71.6 | Confident | 111 Ų | 111 | 91.4 Ų | 91.4 | 52% | 0.519 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -87.7 | -30.7 | 168.3 | -76.9 | 168.5 | -167.1 | 0 | 0 | 109.8 | K1284 S1291 V1292 | K1284-E1288 WeakPolarHBondContact O-CA 3.4Å; K1284-E1288 WeakPolarHBondContact O-CB 3.38Å; K1284-E1288 WeakPolarHBondContact O-CG 3.14Å; K1284-E1288 PolarHBondContact O-N 3.25Å; E1288-S1291 CarbonylContact O-C 3.58Å; E1288-V1292 WeakPolarHBondContact O-CA 3.41Å; E1288-V1292 WeakPolarHBondContact O-CB 3.1Å; E1288-V1292 WeakPolarHBondContact O-CG2 3.03Å; E1288-V1292 PolarHBondContact O-N 3.05Å |
| 1289 | V | 71.2 | Confident | 71.7 | Confident | 83 Ų | 83 | 88.5 Ų | 88.5 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -81.7 | -32.8 | 168.3 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L1285 S1291 T1293 | L1285-V1289 WeakPolarHBondContact O-CA 3.03Å; L1285-V1289 WeakPolarHBondContact O-CB 3.45Å; L1285-V1289 WeakPolarHBondContact O-CG2 3.44Å; L1285-V1289 PolarHBondContact O-N 2.76Å; V1289-S1291 VanDerWaalsContact C-N 3.29Å; V1289-T1293 VanDerWaalsContact O-CA 3.22Å; V1289-T1293 WeakPolarHBondContact O-CA 3.34Å; V1289-T1293 WeakPolarHBondContact O-CB 3.41Å; V1289-T1293 PolarHBondContact O-N 2.99Å; V1289-T1293 PolarHBondContact O-OG1 3.19Å; V1289-T1293 VanDerWaalsContact O-OG1 3.07Å |
| 1290 | E | 69.5 | Low | 71.9 | Confident | 110 Ų | 110 | 88.8 Ų | 88.8 | 51% | 0.514 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -84.3 | -3.4 | 168.4 | -63.9 | 177.7 | -177.4 | 0 | 0 | 112 | Q1286 G1294 | Q1286-E1290 VanDerWaalsContact O-CA 3.31Å; Q1286-E1290 WeakPolarHBondContact O-CA 3.17Å; Q1286-E1290 WeakPolarHBondContact O-CB 3.42Å; Q1286-E1290 WeakPolarHBondContact O-CG 2.82Å; Q1286-E1290 PolarHBondContact O-N 2.89Å; E1290-G1294 WeakPolarHBondContact O-CA 2.87Å; E1290-G1294 PolarHBondContact O-N 2.78Å |
| 1291 | S | 73.9 | Confident | 71.8 | Confident | 54 Ų | 54 | 85.8 Ų | 85.8 | 38% | 0.378 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -102.2 | -20.4 | 162.2 | -176.8 | 0 | 0 | 0 | 0 | 112.6 | N1287 E1288 V1289 M1295 | N1287-S1291 WeakPolarHBondContact O-CA 3.25Å; N1287-S1291 WeakPolarHBondContact O-CB 2.95Å; N1287-S1291 PolarHBondContact O-N 3.35Å; E1288-S1291 CarbonylContact O-C 3.58Å; V1289-S1291 VanDerWaalsContact C-N 3.29Å; S1291-M1295 WeakPolarHBondContact O-CA 3.32Å; S1291-M1295 WeakPolarHBondContact O-CB 3.3Å; S1291-M1295 WeakPolarHBondContact O-CE 3.04Å; S1291-M1295 WeakPolarHBondContact O-CG 3.49Å; S1291-M1295 PolarHBondContact O-N 2.85Å |
| 1292 | V | 73.7 | Confident | 71.6 | Confident | 90 Ų | 90 | 84.3 Ų | 84.3 | 55% | 0.545 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -89.4 | -42.1 | 169.9 | 168 | 0 | 0 | 0 | 0 | 110.5 | E1288 M1295 L1296 | E1288-V1292 WeakPolarHBondContact O-CA 3.41Å; E1288-V1292 WeakPolarHBondContact O-CB 3.1Å; E1288-V1292 WeakPolarHBondContact O-CG2 3.03Å; E1288-V1292 PolarHBondContact O-N 3.05Å; V1292-M1295 HydrophobicContact CG2-CE 4.07Å; V1292-M1295 CarbonylContact O-C 3.57Å; V1292-L1296 WeakPolarHBondContact O-CA 3.24Å; V1292-L1296 WeakPolarHBondContact O-CB 3.45Å; V1292-L1296 PolarHBondContact O-N 2.83Å |
| 1293 | T | 72.4 | Confident | 71.6 | Confident | 59 Ų | 59 | 84 Ų | 84 | 36% | 0.362 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -74.1 | -15.7 | 160.2 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | V1289 N1297 | V1289-T1293 VanDerWaalsContact O-CA 3.22Å; V1289-T1293 WeakPolarHBondContact O-CA 3.34Å; V1289-T1293 WeakPolarHBondContact O-CB 3.41Å; V1289-T1293 PolarHBondContact O-N 2.99Å; V1289-T1293 PolarHBondContact O-OG1 3.19Å; V1289-T1293 VanDerWaalsContact O-OG1 3.07Å; T1293-N1297 WeakPolarHBondContact O-CA 3.36Å; T1293-N1297 WeakPolarHBondContact O-CB 3.46Å; T1293-N1297 PolarHBondContact O-N 3.28Å; T1293-N1297 PolarHBondContact O-ND2 2.73Å; T1293-N1297 PolarHBondContact O-OD1 2.7Å |
| 1294 | G | 70.4 | Confident | 71.7 | Confident | 24 Ų | 24 | 84.3 Ų | 84.3 | 25% | 0.247 | 46% | 0.458 | C | S | . | . | H | α-helix | trans | -77.1 | -44.8 | 165 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1290 L1296 N1297 E1298 | E1290-G1294 WeakPolarHBondContact O-CA 2.87Å; E1290-G1294 PolarHBondContact O-N 2.78Å; G1294-L1296 VanDerWaalsContact C-N 3.27Å; G1294-L1296 PolarHBondContact O-N 3.31Å; G1294-N1297 CarbonylContact O-C 3.48Å; G1294-N1297 PolarHBondContact O-N 3.31Å; G1294-E1298 WeakPolarHBondContact O-CA 3.3Å; G1294-E1298 WeakPolarHBondContact O-CB 3.48Å; G1294-E1298 WeakPolarHBondContact O-CG 3.32Å; G1294-E1298 PolarHBondContact O-N 3.06Å |
| 1295 | M | 72.2 | Confident | 71.4 | Confident | 108 Ų | 108 | 83.9 Ų | 83.9 | 53% | 0.532 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72.2 | -18.8 | 170.4 | -76.4 | -178.5 | -69.6 | 0 | 0 | 112 | S1291 V1292 E1298 A1299 | S1291-M1295 WeakPolarHBondContact O-CA 3.32Å; S1291-M1295 WeakPolarHBondContact O-CB 3.3Å; S1291-M1295 WeakPolarHBondContact O-CE 3.04Å; S1291-M1295 WeakPolarHBondContact O-CG 3.49Å; S1291-M1295 PolarHBondContact O-N 2.85Å; V1292-M1295 HydrophobicContact CG2-CE 4.07Å; V1292-M1295 CarbonylContact O-C 3.57Å; M1295-E1298 CarbonylContact O-C 3.46Å; M1295-A1299 WeakPolarHBondContact O-CA 3.27Å; M1295-A1299 WeakPolarHBondContact O-CB 3.48Å; M1295-A1299 PolarHBondContact O-N 3.02Å |
| 1296 | L | 73.2 | Confident | 71.5 | Confident | 77 Ų | 77 | 84 Ų | 84 | 40% | 0.403 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -85.7 | -44.3 | 169.6 | -167.6 | 69.2 | 0 | 0 | 0 | 109.6 | V1292 G1294 E1298 A1299 E1300 G1301 | V1292-L1296 WeakPolarHBondContact O-CA 3.24Å; V1292-L1296 WeakPolarHBondContact O-CB 3.45Å; V1292-L1296 PolarHBondContact O-N 2.83Å; G1294-L1296 VanDerWaalsContact C-N 3.27Å; G1294-L1296 PolarHBondContact O-N 3.31Å; L1296-E1298 PolarHBondContact O-N 2.97Å; L1296-E1298 VanDerWaalsContact O-N 3.13Å; L1296-A1299 CarbonylContact O-C 3.45Å; L1296-A1299 PolarHBondContact O-N 3.01Å; L1296-E1300 HydrophobicContact CD1-CG 3.97Å; L1296-E1300 HydrophobicContact CG-CG 4Å; L1296-E1300 WeakPolarHBondContact O-CA 3.11Å; L1296-E1300 WeakPolarHBondContact O-CB 3.34Å; L1296-E1300 PolarHBondContact O-N 2.79Å; L1296-G1301 PolarHBondContact O-N 2.95Å |
| 1297 | N | 71.1 | Confident | 71.6 | Confident | 104 Ų | 104 | 82.3 Ų | 82.3 | 56% | 0.556 | 46% | 0.459 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -3.6 | 168.8 | -64.1 | -3.2 | 0 | 0 | 0 | 112.7 | T1293 G1294 G1301 | T1293-N1297 WeakPolarHBondContact O-CA 3.36Å; T1293-N1297 WeakPolarHBondContact O-CB 3.46Å; T1293-N1297 PolarHBondContact O-N 3.28Å; T1293-N1297 PolarHBondContact O-ND2 2.73Å; T1293-N1297 PolarHBondContact O-OD1 2.7Å; G1294-N1297 CarbonylContact O-C 3.48Å; G1294-N1297 PolarHBondContact O-N 3.31Å; N1297-G1301 WeakPolarHBondContact O-CA 2.92Å; N1297-G1301 PolarHBondContact O-N 2.91Å |
| 1298 | E | 70.2 | Confident | 71.5 | Confident | 103 Ų | 103 | 85.5 Ų | 85.5 | 48% | 0.481 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | -9 | 161.1 | -79.2 | -158.5 | 163 | 0 | 0 | 112.9 | G1294 M1295 L1296 K1302 | G1294-E1298 WeakPolarHBondContact O-CA 3.3Å; G1294-E1298 WeakPolarHBondContact O-CB 3.48Å; G1294-E1298 WeakPolarHBondContact O-CG 3.32Å; G1294-E1298 PolarHBondContact O-N 3.06Å; M1295-E1298 CarbonylContact O-C 3.46Å; L1296-E1298 PolarHBondContact O-N 2.97Å; L1296-E1298 VanDerWaalsContact O-N 3.13Å; E1298-K1302 VanDerWaalsContact C-N 3.3Å; E1298-K1302 WeakPolarHBondContact O-CA 3.42Å; E1298-K1302 WeakPolarHBondContact O-CB 3Å; E1298-K1302 WeakPolarHBondContact O-CD 3.35Å; E1298-K1302 WeakPolarHBondContact O-CG 3.26Å; E1298-K1302 PolarHBondContact O-N 3.1Å; E1298-K1302 WeakPolarHBondContact OE2-CE 2.91Å; E1298-K1302 IonicContact OE2-NZ 3.98Å; E1298-K1302 PolarHBondContact OE2-NZ 3.5Å |
| 1299 | A | 73 | Confident | 71.2 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -101.9 | -39.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | M1295 L1296 K1302 A1303 | M1295-A1299 WeakPolarHBondContact O-CA 3.27Å; M1295-A1299 WeakPolarHBondContact O-CB 3.48Å; M1295-A1299 PolarHBondContact O-N 3.02Å; L1296-A1299 CarbonylContact O-C 3.45Å; L1296-A1299 PolarHBondContact O-N 3.01Å; A1299-K1302 CarbonylContact O-C 3.57Å; A1299-K1302 VanDerWaalsContact O-C 3.25Å; A1299-A1303 VanDerWaalsContact O-CA 3.29Å; A1299-A1303 WeakPolarHBondContact O-CA 3.28Å; A1299-A1303 WeakPolarHBondContact O-CB 3.43Å; A1299-A1303 PolarHBondContact O-N 3.42Å |
| 1300 | E | 73.4 | Confident | 71.3 | Confident | 98 Ų | 98 | 82.4 Ų | 82.4 | 46% | 0.458 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.4 | -32.9 | 150.8 | -56.8 | 178.3 | 170.2 | 0 | 0 | 110.2 | L1296 A1303 I1304 | L1296-E1300 HydrophobicContact CD1-CG 3.97Å; L1296-E1300 HydrophobicContact CG-CG 4Å; L1296-E1300 WeakPolarHBondContact O-CA 3.11Å; L1296-E1300 WeakPolarHBondContact O-CB 3.34Å; L1296-E1300 PolarHBondContact O-N 2.79Å; E1300-A1303 CarbonylContact O-C 3.57Å; E1300-A1303 PolarHBondContact O-N 3.21Å; E1300-I1304 WeakPolarHBondContact O-CA 3.44Å; E1300-I1304 WeakPolarHBondContact O-CB 3.48Å; E1300-I1304 VanDerWaalsContact O-CG1 3.28Å; E1300-I1304 WeakPolarHBondContact O-CG1 3.3Å; E1300-I1304 PolarHBondContact O-N 2.92Å |
| 1301 | G | 68.9 | Low | 71.5 | Confident | 29 Ų | 29 | 80.1 Ų | 80.1 | 30% | 0.299 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60.5 | -48.4 | 167.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L1296 N1297 K1305 | L1296-G1301 PolarHBondContact O-N 2.95Å; N1297-G1301 WeakPolarHBondContact O-CA 2.92Å; N1297-G1301 PolarHBondContact O-N 2.91Å; G1301-K1305 VanDerWaalsContact O-CA 3.31Å; G1301-K1305 WeakPolarHBondContact O-CA 3.18Å; G1301-K1305 WeakPolarHBondContact O-CB 3.32Å; G1301-K1305 PolarHBondContact O-N 3.39Å |
| 1302 | K | 68.9 | Low | 71.2 | Confident | 110 Ų | 110 | 80 Ų | 80 | 48% | 0.478 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -86.6 | 10.5 | 171.3 | -60.9 | 159.2 | -163.9 | 151.2 | 0 | 113.1 | E1298 A1299 L1306 | E1298-K1302 VanDerWaalsContact C-N 3.3Å; E1298-K1302 WeakPolarHBondContact O-CA 3.42Å; E1298-K1302 WeakPolarHBondContact O-CB 3Å; E1298-K1302 WeakPolarHBondContact O-CD 3.35Å; E1298-K1302 WeakPolarHBondContact O-CG 3.26Å; E1298-K1302 PolarHBondContact O-N 3.1Å; E1298-K1302 WeakPolarHBondContact OE2-CE 2.91Å; E1298-K1302 IonicContact OE2-NZ 3.98Å; E1298-K1302 PolarHBondContact OE2-NZ 3.5Å; A1299-K1302 CarbonylContact O-C 3.57Å; A1299-K1302 VanDerWaalsContact O-C 3.25Å; K1302-L1306 VanDerWaalsContact C-N 3.26Å; K1302-L1306 WeakPolarHBondContact O-CA 3.44Å; K1302-L1306 WeakPolarHBondContact O-CB 3.19Å; K1302-L1306 WeakPolarHBondContact O-CD1 3.49Å; K1302-L1306 WeakPolarHBondContact O-CG 3.36Å; K1302-L1306 PolarHBondContact O-N 3.27Å |
| 1303 | A | 72.6 | Confident | 70.8 | Confident | 53 Ų | 53 | 80.4 Ų | 80.4 | 44% | 0.438 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -118.8 | -17.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1299 E1300 L1306 A1307 | A1299-A1303 VanDerWaalsContact O-CA 3.29Å; A1299-A1303 WeakPolarHBondContact O-CA 3.28Å; A1299-A1303 WeakPolarHBondContact O-CB 3.43Å; A1299-A1303 PolarHBondContact O-N 3.42Å; E1300-A1303 CarbonylContact O-C 3.57Å; E1300-A1303 PolarHBondContact O-N 3.21Å; A1303-L1306 CarbonylContact O-C 3.52Å; A1303-A1307 WeakPolarHBondContact O-CA 3.37Å; A1303-A1307 WeakPolarHBondContact O-CB 3.17Å; A1303-A1307 PolarHBondContact O-N 3.12Å |
| 1304 | I | 71.9 | Confident | 70.7 | Confident | 101 Ų | 101 | 80 Ų | 80 | 52% | 0.518 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -86.5 | -30.7 | 157.5 | -60.3 | 167.4 | 0 | 0 | 0 | 108.4 | E1300 K1308 | E1300-I1304 WeakPolarHBondContact O-CA 3.44Å; E1300-I1304 WeakPolarHBondContact O-CB 3.48Å; E1300-I1304 VanDerWaalsContact O-CG1 3.28Å; E1300-I1304 WeakPolarHBondContact O-CG1 3.3Å; E1300-I1304 PolarHBondContact O-N 2.92Å; I1304-K1308 HydrophobicContact CG2-CD 4.36Å; I1304-K1308 WeakPolarHBondContact O-CA 3.5Å; I1304-K1308 WeakPolarHBondContact O-CB 3.48Å; I1304-K1308 VanDerWaalsContact O-CG 3.29Å; I1304-K1308 WeakPolarHBondContact O-CG 3.45Å; I1304-K1308 PolarHBondContact O-N 3.33Å |
| 1305 | K | 67.8 | Low | 70.7 | Confident | 123 Ų | 123 | 81.6 Ų | 81.6 | 54% | 0.535 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -82.8 | -26 | 162.5 | -165.3 | 175.5 | -172.3 | -71.7 | 0 | 113 | G1301 D1309 | G1301-K1305 VanDerWaalsContact O-CA 3.31Å; G1301-K1305 WeakPolarHBondContact O-CA 3.18Å; G1301-K1305 WeakPolarHBondContact O-CB 3.32Å; G1301-K1305 PolarHBondContact O-N 3.39Å; K1305-D1309 WeakPolarHBondContact CG-OD1 3.39Å; K1305-D1309 WeakPolarHBondContact CG-OD2 3.24Å; K1305-D1309 IonicContact NZ-OD1 2.83Å; K1305-D1309 IonicContact NZ-OD2 3.22Å; K1305-D1309 PolarHBondContact NZ-OD2 3.38Å; K1305-D1309 WeakPolarHBondContact O-CA 3.35Å; K1305-D1309 WeakPolarHBondContact O-CB 3.5Å; K1305-D1309 PolarHBondContact O-N 3.33Å |
| 1306 | L | 71.6 | Confident | 70.1 | Confident | 103 Ų | 103 | 81 Ų | 81 | 54% | 0.539 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -83 | -6.2 | 159.8 | -69.9 | 166.4 | 0 | 0 | 0 | 112.8 | K1302 A1303 V1310 | K1302-L1306 VanDerWaalsContact C-N 3.26Å; K1302-L1306 WeakPolarHBondContact O-CA 3.44Å; K1302-L1306 WeakPolarHBondContact O-CB 3.19Å; K1302-L1306 WeakPolarHBondContact O-CD1 3.49Å; K1302-L1306 WeakPolarHBondContact O-CG 3.36Å; K1302-L1306 PolarHBondContact O-N 3.27Å; A1303-L1306 CarbonylContact O-C 3.52Å; L1306-V1310 WeakPolarHBondContact O-CA 3.34Å; L1306-V1310 WeakPolarHBondContact O-CB 3.2Å; L1306-V1310 WeakPolarHBondContact O-CG2 3.46Å; L1306-V1310 PolarHBondContact O-N 3.32Å |
| 1307 | A | 71.6 | Confident | 69.7 | Low | 56 Ų | 56 | 81.3 Ų | 81.3 | 46% | 0.463 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -97.7 | -22.5 | 166.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1303 A1311 | A1303-A1307 WeakPolarHBondContact O-CA 3.37Å; A1303-A1307 WeakPolarHBondContact O-CB 3.17Å; A1303-A1307 PolarHBondContact O-N 3.12Å; A1307-A1311 WeakPolarHBondContact O-CA 3.28Å; A1307-A1311 WeakPolarHBondContact O-CB 3.44Å; A1307-A1311 PolarHBondContact O-N 3.49Å |
| 1308 | K | 69.3 | Low | 69.7 | Low | 147 Ų | 147 | 82 Ų | 82 | 64% | 0.639 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -87.1 | -30.2 | 165.3 | -73.9 | 179.9 | 175.8 | 173.3 | 0 | 111.7 | I1304 A1311 S1312 | I1304-K1308 HydrophobicContact CG2-CD 4.36Å; I1304-K1308 WeakPolarHBondContact O-CA 3.5Å; I1304-K1308 WeakPolarHBondContact O-CB 3.48Å; I1304-K1308 VanDerWaalsContact O-CG 3.29Å; I1304-K1308 WeakPolarHBondContact O-CG 3.45Å; I1304-K1308 PolarHBondContact O-N 3.33Å; K1308-A1311 CarbonylContact O-C 3.56Å; K1308-S1312 VanDerWaalsContact O-CA 3.25Å; K1308-S1312 WeakPolarHBondContact O-CA 3.25Å; K1308-S1312 WeakPolarHBondContact O-CB 3.28Å; K1308-S1312 PolarHBondContact O-N 3.06Å |
| 1309 | D | 68.1 | Low | 69.6 | Low | 48 Ų | 48 | 81 Ų | 81 | 26% | 0.257 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -85.8 | -13.4 | 164.4 | -54.5 | -5.5 | 0 | 0 | 0 | 111.2 | K1305 L1313 | K1305-D1309 WeakPolarHBondContact CG-OD1 3.39Å; K1305-D1309 WeakPolarHBondContact CG-OD2 3.24Å; K1305-D1309 IonicContact NZ-OD1 2.83Å; K1305-D1309 IonicContact NZ-OD2 3.22Å; K1305-D1309 PolarHBondContact NZ-OD2 3.38Å; K1305-D1309 WeakPolarHBondContact O-CA 3.35Å; K1305-D1309 WeakPolarHBondContact O-CB 3.5Å; K1305-D1309 PolarHBondContact O-N 3.33Å; D1309-L1313 HydrophobicContact CB-CD1 4.24Å; D1309-L1313 HydrophobicContact CB-CG 4.4Å; D1309-L1313 WeakPolarHBondContact O-CA 3.44Å; D1309-L1313 WeakPolarHBondContact O-CB 3.3Å; D1309-L1313 WeakPolarHBondContact O-CD1 3.38Å; D1309-L1313 WeakPolarHBondContact O-CG 3.18Å; D1309-L1313 PolarHBondContact O-N 3.41Å |
| 1310 | V | 74.1 | Confident | 68.9 | Low | 80 Ų | 80 | 81.5 Ų | 81.5 | 49% | 0.485 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -85.4 | -31.6 | 157.9 | 169 | 0 | 0 | 0 | 0 | 110.6 | L1306 S1312 L1313 S1314 | L1306-V1310 WeakPolarHBondContact O-CA 3.34Å; L1306-V1310 WeakPolarHBondContact O-CB 3.2Å; L1306-V1310 WeakPolarHBondContact O-CG2 3.46Å; L1306-V1310 PolarHBondContact O-N 3.32Å; V1310-S1312 VanDerWaalsContact C-N 3.3Å; V1310-L1313 CarbonylContact O-C 3.56Å; V1310-S1314 VanDerWaalsContact O-CA 3.24Å; V1310-S1314 WeakPolarHBondContact O-CA 3.29Å; V1310-S1314 WeakPolarHBondContact O-CB 3.38Å; V1310-S1314 PolarHBondContact O-N 2.98Å; V1310-S1314 PolarHBondContact O-OG 3.39Å |
| 1311 | A | 72.7 | Confident | 68.6 | Low | 63 Ų | 63 | 81.2 Ų | 81.2 | 52% | 0.521 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -75.4 | -18.8 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | A1307 K1308 S1315 | A1307-A1311 WeakPolarHBondContact O-CA 3.28Å; A1307-A1311 WeakPolarHBondContact O-CB 3.44Å; A1307-A1311 PolarHBondContact O-N 3.49Å; K1308-A1311 CarbonylContact O-C 3.56Å; A1311-S1315 WeakPolarHBondContact O-CA 3.48Å; A1311-S1315 WeakPolarHBondContact O-CB 3.41Å; A1311-S1315 PolarHBondContact O-N 2.95Å |
| 1312 | S | 68.5 | Low | 68.5 | Low | 51 Ų | 51 | 85.4 Ų | 85.4 | 36% | 0.357 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -109.7 | -15.3 | 176.4 | -168.8 | 0 | 0 | 0 | 0 | 113.3 | K1308 V1310 S1314 Q1316 | K1308-S1312 VanDerWaalsContact O-CA 3.25Å; K1308-S1312 WeakPolarHBondContact O-CA 3.25Å; K1308-S1312 WeakPolarHBondContact O-CB 3.28Å; K1308-S1312 PolarHBondContact O-N 3.06Å; V1310-S1312 VanDerWaalsContact C-N 3.3Å; S1312-S1314 VanDerWaalsContact C-N 3.32Å; S1312-Q1316 WeakPolarHBondContact O-CA 3.32Å; S1312-Q1316 WeakPolarHBondContact O-CB 3.5Å; S1312-Q1316 WeakPolarHBondContact O-CG 3.48Å; S1312-Q1316 PolarHBondContact O-N 3.48Å; S1312-Q1316 PolarHBondContact O-OE1 2.85Å |
| 1313 | L | 64.8 | Low | 68 | Low | 98 Ų | 98 | 85.5 Ų | 85.5 | 51% | 0.513 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -98.8 | 26.1 | 151.6 | -49.8 | 161.6 | 0 | 0 | 0 | 110 | D1309 V1310 L1317 | D1309-L1313 HydrophobicContact CB-CD1 4.24Å; D1309-L1313 HydrophobicContact CB-CG 4.4Å; D1309-L1313 WeakPolarHBondContact O-CA 3.44Å; D1309-L1313 WeakPolarHBondContact O-CB 3.3Å; D1309-L1313 WeakPolarHBondContact O-CD1 3.38Å; D1309-L1313 WeakPolarHBondContact O-CG 3.18Å; D1309-L1313 PolarHBondContact O-N 3.41Å; V1310-L1313 CarbonylContact O-C 3.56Å; L1313-L1317 VanDerWaalsContact C-N 3.31Å; L1313-L1317 VanDerWaalsContact O-CB 3.24Å; L1313-L1317 WeakPolarHBondContact O-CB 3.34Å; L1313-L1317 PolarHBondContact O-N 2.78Å |
| 1314 | S | 70.6 | Confident | 67.4 | Low | 51 Ų | 51 | 86.5 Ų | 86.5 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -129 | -26.8 | 156.4 | -58.8 | 0 | 0 | 0 | 0 | 110.6 | V1310 S1312 L1317 Q1318 | V1310-S1314 VanDerWaalsContact O-CA 3.24Å; V1310-S1314 WeakPolarHBondContact O-CA 3.29Å; V1310-S1314 WeakPolarHBondContact O-CB 3.38Å; V1310-S1314 PolarHBondContact O-N 2.98Å; V1310-S1314 PolarHBondContact O-OG 3.39Å; S1312-S1314 VanDerWaalsContact C-N 3.32Å; S1314-L1317 CarbonylContact O-C 3.45Å; S1314-L1317 PolarHBondContact O-N 2.77Å; S1314-Q1318 WeakPolarHBondContact O-CA 3.23Å; S1314-Q1318 WeakPolarHBondContact O-CB 3.49Å; S1314-Q1318 PolarHBondContact O-N 3.06Å |
| 1315 | S | 69.9 | Low | 67.2 | Low | 57 Ų | 57 | 88.1 Ų | 88.1 | 40% | 0.399 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -65.2 | -47.9 | 151.7 | -165.4 | 0 | 0 | 0 | 0 | 108 | A1311 Q1318 D1319 | A1311-S1315 WeakPolarHBondContact O-CA 3.48Å; A1311-S1315 WeakPolarHBondContact O-CB 3.41Å; A1311-S1315 PolarHBondContact O-N 2.95Å; S1315-Q1318 CarbonylContact O-C 3.52Å; S1315-Q1318 PolarHBondContact O-N 3.03Å; S1315-D1319 WeakPolarHBondContact O-CA 3.2Å; S1315-D1319 VanDerWaalsContact O-CB 3.25Å; S1315-D1319 WeakPolarHBondContact O-CB 3.46Å; S1315-D1319 PolarHBondContact O-N 3.42Å; S1315-D1319 PolarHBondContact OG-OD2 2.83Å; S1315-D1319 VanDerWaalsContact OG-OD2 3.1Å |
| 1316 | Q | 60 | Low | 67 | Low | 95 Ų | 95 | 86.6 Ų | 86.6 | 44% | 0.444 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -74.6 | -21 | 168.2 | -62.1 | 161.5 | 7.2 | 0 | 0 | 113.7 | S1312 Q1318 T1320 | S1312-Q1316 WeakPolarHBondContact O-CA 3.32Å; S1312-Q1316 WeakPolarHBondContact O-CB 3.5Å; S1312-Q1316 WeakPolarHBondContact O-CG 3.48Å; S1312-Q1316 PolarHBondContact O-N 3.48Å; S1312-Q1316 PolarHBondContact O-OE1 2.85Å; Q1316-Q1318 PolarHBondContact O-N 2.69Å; Q1316-T1320 WeakPolarHBondContact O-CA 3.33Å; Q1316-T1320 WeakPolarHBondContact O-CB 3.48Å; Q1316-T1320 VanDerWaalsContact O-CG2 3.29Å; Q1316-T1320 WeakPolarHBondContact O-CG2 3.04Å; Q1316-T1320 PolarHBondContact O-N 3.49Å; Q1316-T1320 PolarHBondContact O-OG1 3.29Å |
| 1317 | L | 63.6 | Low | 66.2 | Low | 85 Ų | 85 | 86 Ų | 86 | 45% | 0.445 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -72.4 | -17.7 | 163.9 | -145.1 | 73.8 | 0 | 0 | 0 | 111.7 | L1313 S1314 T1320 Q1321 | L1313-L1317 VanDerWaalsContact C-N 3.31Å; L1313-L1317 VanDerWaalsContact O-CB 3.24Å; L1313-L1317 WeakPolarHBondContact O-CB 3.34Å; L1313-L1317 PolarHBondContact O-N 2.78Å; S1314-L1317 CarbonylContact O-C 3.45Å; S1314-L1317 PolarHBondContact O-N 2.77Å; L1317-T1320 CarbonylContact O-C 3.38Å; L1317-T1320 VanDerWaalsContact O-C 3.29Å; L1317-Q1321 VanDerWaalsContact CD2-NE2 3.32Å; L1317-Q1321 HydrophobicContact CG-CG 4.26Å; L1317-Q1321 WeakPolarHBondContact O-CA 3.23Å; L1317-Q1321 WeakPolarHBondContact O-CB 3.37Å; L1317-Q1321 VanDerWaalsContact O-CD 3.23Å; L1317-Q1321 WeakPolarHBondContact O-CG 3.19Å; L1317-Q1321 PolarHBondContact O-N 3.15Å |
| 1318 | Q | 72.1 | Confident | 65.7 | Low | 118 Ų | 118 | 86 Ų | 86 | 55% | 0.551 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -96.4 | -43.2 | 178.7 | -172.4 | 166.9 | -10.4 | 0 | 0 | 110.6 | S1314 S1315 Q1316 T1320 Q1321 E1322 | S1314-Q1318 WeakPolarHBondContact O-CA 3.23Å; S1314-Q1318 WeakPolarHBondContact O-CB 3.49Å; S1314-Q1318 PolarHBondContact O-N 3.06Å; S1315-Q1318 CarbonylContact O-C 3.52Å; S1315-Q1318 PolarHBondContact O-N 3.03Å; Q1316-Q1318 PolarHBondContact O-N 2.69Å; Q1318-T1320 VanDerWaalsContact C-N 3.25Å; Q1318-T1320 PolarHBondContact O-N 3.47Å; Q1318-Q1321 CarbonylContact O-C 3.43Å; Q1318-Q1321 PolarHBondContact O-N 2.84Å; Q1318-E1322 WeakPolarHBondContact O-CA 2.9Å; Q1318-E1322 VanDerWaalsContact O-CB 3.27Å; Q1318-E1322 WeakPolarHBondContact O-CB 3.33Å; Q1318-E1322 WeakPolarHBondContact O-CG 3.42Å; Q1318-E1322 PolarHBondContact O-N 3.16Å |
| 1319 | D | 67.9 | Low | 65.6 | Low | 81 Ų | 81 | 87 Ų | 87 | 43% | 0.433 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -64.1 | -28 | 165.5 | -55 | -38.9 | 0 | 0 | 0 | 111.2 | S1315 L1323 | S1315-D1319 WeakPolarHBondContact O-CA 3.2Å; S1315-D1319 VanDerWaalsContact O-CB 3.25Å; S1315-D1319 WeakPolarHBondContact O-CB 3.46Å; S1315-D1319 PolarHBondContact O-N 3.42Å; S1315-D1319 PolarHBondContact OG-OD2 2.83Å; S1315-D1319 VanDerWaalsContact OG-OD2 3.1Å; D1319-L1323 WeakPolarHBondContact O-CA 3.45Å; D1319-L1323 WeakPolarHBondContact O-CB 3.32Å; D1319-L1323 WeakPolarHBondContact O-CD1 2.92Å; D1319-L1323 WeakPolarHBondContact O-CG 3Å; D1319-L1323 PolarHBondContact O-N 3.24Å |
| 1320 | T | 58.9 | Low | 65.4 | Low | 64 Ų | 64 | 90.5 Ų | 90.5 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -111.7 | 32.4 | 163.7 | 94.3 | 0 | 0 | 0 | 0 | 113.1 | Q1316 L1317 Q1318 L1323 L1324 | Q1316-T1320 WeakPolarHBondContact O-CA 3.33Å; Q1316-T1320 WeakPolarHBondContact O-CB 3.48Å; Q1316-T1320 VanDerWaalsContact O-CG2 3.29Å; Q1316-T1320 WeakPolarHBondContact O-CG2 3.04Å; Q1316-T1320 PolarHBondContact O-N 3.49Å; Q1316-T1320 PolarHBondContact O-OG1 3.29Å; L1317-T1320 CarbonylContact O-C 3.38Å; L1317-T1320 VanDerWaalsContact O-C 3.29Å; Q1318-T1320 VanDerWaalsContact C-N 3.25Å; Q1318-T1320 PolarHBondContact O-N 3.47Å; T1320-L1323 HydrophobicContact CG2-CB 4.46Å; T1320-L1324 WeakPolarHBondContact O-CB 2.99Å |
| 1321 | Q | 65.7 | Low | 64.6 | Low | 93 Ų | 93 | 91.6 Ų | 91.6 | 44% | 0.435 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -118.1 | -11.1 | 145.8 | -83.5 | 166.7 | 4.8 | 0 | 0 | 110.7 | L1317 Q1318 L1324 Q1325 | L1317-Q1321 VanDerWaalsContact CD2-NE2 3.32Å; L1317-Q1321 HydrophobicContact CG-CG 4.26Å; L1317-Q1321 WeakPolarHBondContact O-CA 3.23Å; L1317-Q1321 WeakPolarHBondContact O-CB 3.37Å; L1317-Q1321 VanDerWaalsContact O-CD 3.23Å; L1317-Q1321 WeakPolarHBondContact O-CG 3.19Å; L1317-Q1321 PolarHBondContact O-N 3.15Å; Q1318-Q1321 CarbonylContact O-C 3.43Å; Q1318-Q1321 PolarHBondContact O-N 2.84Å; Q1321-L1324 CarbonylContact O-C 3.46Å; Q1321-Q1325 WeakPolarHBondContact O-CA 3.35Å; Q1321-Q1325 WeakPolarHBondContact O-CB 3.2Å; Q1321-Q1325 VanDerWaalsContact O-CD 3.26Å; Q1321-Q1325 WeakPolarHBondContact O-CG 3.19Å; Q1321-Q1325 PolarHBondContact O-N 3.18Å; Q1321-Q1325 PolarHBondContact O-NE2 3.46Å |
| 1322 | E | 67.4 | Low | 64.1 | Low | 116 Ų | 116 | 93.7 Ų | 93.7 | 54% | 0.542 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -89.7 | -49.1 | 162.5 | -71.7 | -175.2 | -166 | 0 | 0 | 107.3 | Q1318 L1324 Q1325 E1326 | Q1318-E1322 WeakPolarHBondContact O-CA 2.9Å; Q1318-E1322 VanDerWaalsContact O-CB 3.27Å; Q1318-E1322 WeakPolarHBondContact O-CB 3.33Å; Q1318-E1322 WeakPolarHBondContact O-CG 3.42Å; Q1318-E1322 PolarHBondContact O-N 3.16Å; E1322-L1324 VanDerWaalsContact C-N 3.27Å; E1322-L1324 PolarHBondContact O-N 2.93Å; E1322-Q1325 CarbonylContact O-C 3.6Å; E1322-Q1325 PolarHBondContact O-N 3.46Å; E1322-E1326 WeakPolarHBondContact O-CA 3.06Å; E1322-E1326 WeakPolarHBondContact O-CB 3.49Å; E1322-E1326 PolarHBondContact O-N 3.32Å |
| 1323 | L | 59.1 | Low | 64.1 | Low | 112 Ų | 112 | 96.4 Ų | 96.4 | 59% | 0.586 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.5 | -20 | 162.4 | -71.4 | 164.6 | 0 | 0 | 0 | 113.1 | D1319 T1320 E1327 | D1319-L1323 WeakPolarHBondContact O-CA 3.45Å; D1319-L1323 WeakPolarHBondContact O-CB 3.32Å; D1319-L1323 WeakPolarHBondContact O-CD1 2.92Å; D1319-L1323 WeakPolarHBondContact O-CG 3Å; D1319-L1323 PolarHBondContact O-N 3.24Å; T1320-L1323 HydrophobicContact CG2-CB 4.46Å; L1323-E1327 WeakPolarHBondContact O-CA 3.25Å; L1323-E1327 WeakPolarHBondContact O-CB 3.41Å; L1323-E1327 PolarHBondContact O-N 3.02Å |
| 1324 | L | 59.6 | Low | 63.9 | Low | 75 Ų | 75 | 96 Ų | 96 | 39% | 0.393 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -95.5 | 1.4 | 165.4 | -166.6 | 64.6 | 0 | 0 | 0 | 112.7 | T1320 Q1321 E1322 T1328 | T1320-L1324 WeakPolarHBondContact O-CB 2.99Å; Q1321-L1324 CarbonylContact O-C 3.46Å; E1322-L1324 VanDerWaalsContact C-N 3.27Å; E1322-L1324 PolarHBondContact O-N 2.93Å; L1324-T1328 WeakPolarHBondContact CD1-OG1 3.3Å; L1324-T1328 WeakPolarHBondContact O-CA 3.04Å; L1324-T1328 WeakPolarHBondContact O-CB 3.44Å; L1324-T1328 PolarHBondContact O-N 3.49Å; L1324-T1328 PolarHBondContact O-OG1 2.69Å |
| 1325 | Q | 68.5 | Low | 63.3 | Low | 134 Ų | 134 | 96.3 Ų | 96.3 | 63% | 0.626 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -97.5 | -23.9 | 161.1 | -85.6 | 167.5 | 69.8 | 0 | 0 | 111.4 | Q1321 E1322 T1328 R1329 | Q1321-Q1325 WeakPolarHBondContact O-CA 3.35Å; Q1321-Q1325 WeakPolarHBondContact O-CB 3.2Å; Q1321-Q1325 VanDerWaalsContact O-CD 3.26Å; Q1321-Q1325 WeakPolarHBondContact O-CG 3.19Å; Q1321-Q1325 PolarHBondContact O-N 3.18Å; Q1321-Q1325 PolarHBondContact O-NE2 3.46Å; E1322-Q1325 CarbonylContact O-C 3.6Å; E1322-Q1325 PolarHBondContact O-N 3.46Å; Q1325-T1328 CarbonylContact O-C 3.55Å; Q1325-R1329 WeakPolarHBondContact O-CA 3.4Å; Q1325-R1329 WeakPolarHBondContact O-CB 3.28Å; Q1325-R1329 PolarHBondContact O-N 3.33Å |
| 1326 | E | 62.4 | Low | 63.2 | Low | 92 Ų | 92 | 97 Ų | 97 | 43% | 0.43 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -87.8 | -35.1 | 172.7 | -156 | 89.9 | -89.8 | 0 | 0 | 109.8 | E1322 R1329 Q1330 | E1322-E1326 WeakPolarHBondContact O-CA 3.06Å; E1322-E1326 WeakPolarHBondContact O-CB 3.49Å; E1322-E1326 PolarHBondContact O-N 3.32Å; E1326-R1329 CarbonylContact O-C 3.59Å; E1326-R1329 WeakPolarHBondContact O-CB 3.27Å; E1326-R1329 PolarHBondContact O-N 2.61Å; E1326-R1329 IonicContact OE1-NH1 2.75Å; E1326-R1329 PolarHBondContact OE1-NH1 3.34Å; E1326-Q1330 VanDerWaalsContact O-CB 3.31Å; E1326-Q1330 WeakPolarHBondContact O-CB 3.33Å; E1326-Q1330 VanDerWaalsContact O-CG 3.25Å; E1326-Q1330 WeakPolarHBondContact O-CG 3.43Å; E1326-Q1330 PolarHBondContact O-N 3.04Å |
| 1327 | E | 56.3 | Low | 63.6 | Low | 89 Ų | 89 | 98.8 Ų | 98.8 | 42% | 0.416 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -89.3 | -6 | 164 | -153.8 | -137.6 | -129.4 | 0 | 0 | 112.9 | L1323 K1331 | L1323-E1327 WeakPolarHBondContact O-CA 3.25Å; L1323-E1327 WeakPolarHBondContact O-CB 3.41Å; L1323-E1327 PolarHBondContact O-N 3.02Å; E1327-K1331 VanDerWaalsContact O-CA 3.31Å; E1327-K1331 WeakPolarHBondContact O-CA 3.34Å; E1327-K1331 WeakPolarHBondContact O-CB 3.34Å; E1327-K1331 WeakPolarHBondContact O-CG 3.07Å; E1327-K1331 PolarHBondContact O-N 3.45Å; E1327-K1331 WeakPolarHBondContact OE2-CD 3.33Å; E1327-K1331 VanDerWaalsContact OE2-CE 3.25Å; E1327-K1331 WeakPolarHBondContact OE2-CE 3.27Å; E1327-K1331 IonicContact OE2-NZ 2.69Å; E1327-K1331 PolarHBondContact OE2-NZ 2.74Å |
| 1328 | T | 59.4 | Low | 63.5 | Low | 58 Ų | 58 | 98.9 Ų | 98.9 | 36% | 0.356 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -96 | -3.5 | 153.4 | -53.3 | 0 | 0 | 0 | 0 | 112.3 | L1324 Q1325 L1332 | L1324-T1328 WeakPolarHBondContact CD1-OG1 3.3Å; L1324-T1328 WeakPolarHBondContact O-CA 3.04Å; L1324-T1328 WeakPolarHBondContact O-CB 3.44Å; L1324-T1328 PolarHBondContact O-N 3.49Å; L1324-T1328 PolarHBondContact O-OG1 2.69Å; Q1325-T1328 CarbonylContact O-C 3.55Å; T1328-L1332 HydrophobicContact CG2-CD1 3.6Å; T1328-L1332 WeakPolarHBondContact O-CA 3.21Å; T1328-L1332 WeakPolarHBondContact O-CB 3.49Å; T1328-L1332 WeakPolarHBondContact O-CD1 3.34Å; T1328-L1332 PolarHBondContact O-N 2.8Å |
| 1329 | R | 67.8 | Low | 63.4 | Low | 167 Ų | 167 | 100.8 Ų | 100.8 | 63% | 0.63 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -84.4 | -41.8 | 157.4 | -109 | 172.5 | 154.7 | -173.8 | -2.4 | 110.8 | Q1325 E1326 L1332 N1333 | Q1325-R1329 WeakPolarHBondContact O-CA 3.4Å; Q1325-R1329 WeakPolarHBondContact O-CB 3.28Å; Q1325-R1329 PolarHBondContact O-N 3.33Å; E1326-R1329 CarbonylContact O-C 3.59Å; E1326-R1329 WeakPolarHBondContact O-CB 3.27Å; E1326-R1329 PolarHBondContact O-N 2.61Å; E1326-R1329 IonicContact OE1-NH1 2.75Å; E1326-R1329 PolarHBondContact OE1-NH1 3.34Å; R1329-L1332 CarbonylContact O-C 3.58Å; R1329-L1332 PolarHBondContact O-N 2.83Å; R1329-N1333 WeakPolarHBondContact O-CB 3.49Å; R1329-N1333 PolarHBondContact O-N 3.01Å |
| 1330 | Q | 63.7 | Low | 63.5 | Low | 121 Ų | 121 | 102.1 Ų | 102.1 | 57% | 0.565 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -74.5 | -33.1 | 172 | -67.1 | 176.7 | 46 | 0 | 0 | 109.9 | E1326 N1333 V1334 | E1326-Q1330 VanDerWaalsContact O-CB 3.31Å; E1326-Q1330 WeakPolarHBondContact O-CB 3.33Å; E1326-Q1330 VanDerWaalsContact O-CG 3.25Å; E1326-Q1330 WeakPolarHBondContact O-CG 3.43Å; E1326-Q1330 PolarHBondContact O-N 3.04Å; Q1330-N1333 CarbonylContact O-C 3.44Å; Q1330-N1333 PolarHBondContact O-N 2.75Å; Q1330-V1334 WeakPolarHBondContact O-CA 3.24Å; Q1330-V1334 WeakPolarHBondContact O-CB 3.4Å; Q1330-V1334 WeakPolarHBondContact O-CG2 3.17Å; Q1330-V1334 PolarHBondContact O-N 3.06Å |
| 1331 | K | 57.6 | Low | 63.8 | Low | 104 Ų | 104 | 103.8 Ų | 103.8 | 45% | 0.452 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.1 | -15.3 | 160.2 | -72.5 | 170.5 | 171.8 | 143.1 | 0 | 114.3 | E1327 S1335 | E1327-K1331 VanDerWaalsContact O-CA 3.31Å; E1327-K1331 WeakPolarHBondContact O-CA 3.34Å; E1327-K1331 WeakPolarHBondContact O-CB 3.34Å; E1327-K1331 WeakPolarHBondContact O-CG 3.07Å; E1327-K1331 PolarHBondContact O-N 3.45Å; E1327-K1331 WeakPolarHBondContact OE2-CD 3.33Å; E1327-K1331 VanDerWaalsContact OE2-CE 3.25Å; E1327-K1331 WeakPolarHBondContact OE2-CE 3.27Å; E1327-K1331 IonicContact OE2-NZ 2.69Å; E1327-K1331 PolarHBondContact OE2-NZ 2.74Å; K1331-S1335 WeakPolarHBondContact O-CA 3.36Å; K1331-S1335 WeakPolarHBondContact O-CB 3.12Å; K1331-S1335 PolarHBondContact O-N 3.26Å |
| 1332 | L | 62 | Low | 63.9 | Low | 106 Ų | 106 | 103 Ų | 103 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -78.1 | -29.7 | 162.2 | -108.2 | 75.9 | 0 | 0 | 0 | 111.7 | T1328 R1329 T1336 | T1328-L1332 HydrophobicContact CG2-CD1 3.6Å; T1328-L1332 WeakPolarHBondContact O-CA 3.21Å; T1328-L1332 WeakPolarHBondContact O-CB 3.49Å; T1328-L1332 WeakPolarHBondContact O-CD1 3.34Å; T1328-L1332 PolarHBondContact O-N 2.8Å; R1329-L1332 CarbonylContact O-C 3.58Å; R1329-L1332 PolarHBondContact O-N 2.83Å; L1332-T1336 WeakPolarHBondContact O-CA 3.45Å; L1332-T1336 VanDerWaalsContact O-CB 3.22Å; L1332-T1336 WeakPolarHBondContact O-CB 3.41Å; L1332-T1336 VanDerWaalsContact O-CG2 3.26Å; L1332-T1336 WeakPolarHBondContact O-CG2 3.4Å; L1332-T1336 PolarHBondContact O-N 2.89Å; L1332-T1336 PolarHBondContact O-OG1 2.91Å |
| 1333 | N | 68.5 | Low | 64.2 | Low | 109 Ų | 109 | 102.6 Ų | 102.6 | 58% | 0.583 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -79 | -32.2 | 172.2 | -80.5 | -12 | 0 | 0 | 0 | 112.1 | R1329 Q1330 T1336 K1337 | R1329-N1333 WeakPolarHBondContact O-CB 3.49Å; R1329-N1333 PolarHBondContact O-N 3.01Å; Q1330-N1333 CarbonylContact O-C 3.44Å; Q1330-N1333 PolarHBondContact O-N 2.75Å; N1333-T1336 WeakPolarHBondContact CA-OG1 3.1Å; N1333-T1336 PolarHBondContact O-OG1 3.42Å; N1333-K1337 WeakPolarHBondContact O-CB 3.28Å; N1333-K1337 VanDerWaalsContact O-CG 3.32Å; N1333-K1337 WeakPolarHBondContact O-CG 3.23Å; N1333-K1337 PolarHBondContact O-N 2.78Å |
| 1334 | V | 60.1 | Low | 64.8 | Low | 88 Ų | 88 | 102.4 Ų | 102.4 | 53% | 0.533 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -89.6 | -17.5 | 175.4 | 175 | 0 | 0 | 0 | 0 | 110.7 | Q1330 L1338 | Q1330-V1334 WeakPolarHBondContact O-CA 3.24Å; Q1330-V1334 WeakPolarHBondContact O-CB 3.4Å; Q1330-V1334 WeakPolarHBondContact O-CG2 3.17Å; Q1330-V1334 PolarHBondContact O-N 3.06Å; V1334-L1338 VanDerWaalsContact O-CA 3.31Å; V1334-L1338 WeakPolarHBondContact O-CA 2.93Å; V1334-L1338 WeakPolarHBondContact O-CB 3.47Å; V1334-L1338 PolarHBondContact O-N 3.09Å |
| 1335 | S | 59.1 | Low | 65.3 | Low | 59 Ų | 59 | 105.5 Ų | 105.5 | 41% | 0.413 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -94.2 | -20 | 164.9 | -174.3 | 0 | 0 | 0 | 0 | 112.2 | K1331 R1339 | K1331-S1335 WeakPolarHBondContact O-CA 3.36Å; K1331-S1335 WeakPolarHBondContact O-CB 3.12Å; K1331-S1335 PolarHBondContact O-N 3.26Å; S1335-R1339 WeakPolarHBondContact O-CA 3.09Å; S1335-R1339 WeakPolarHBondContact O-CB 3.36Å; S1335-R1339 PolarHBondContact O-N 3.46Å |
| 1336 | T | 68.6 | Low | 65.4 | Low | 70 Ų | 70 | 102.4 Ų | 102.4 | 43% | 0.429 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -77.3 | -32 | 159.2 | 49.7 | 0 | 0 | 0 | 0 | 110.8 | L1332 N1333 Q1340 | L1332-T1336 WeakPolarHBondContact O-CA 3.45Å; L1332-T1336 VanDerWaalsContact O-CB 3.22Å; L1332-T1336 WeakPolarHBondContact O-CB 3.41Å; L1332-T1336 VanDerWaalsContact O-CG2 3.26Å; L1332-T1336 WeakPolarHBondContact O-CG2 3.4Å; L1332-T1336 PolarHBondContact O-N 2.89Å; L1332-T1336 PolarHBondContact O-OG1 2.91Å; N1333-T1336 WeakPolarHBondContact CA-OG1 3.1Å; N1333-T1336 PolarHBondContact O-OG1 3.42Å; T1336-Q1340 WeakPolarHBondContact O-CA 3.25Å; T1336-Q1340 WeakPolarHBondContact O-CB 3.48Å; T1336-Q1340 WeakPolarHBondContact O-CG 3.44Å; T1336-Q1340 PolarHBondContact O-N 3.23Å |
| 1337 | K | 66.5 | Low | 65.9 | Low | 134 Ų | 134 | 100.4 Ų | 100.4 | 58% | 0.583 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -73 | -33.6 | 164.7 | -80.5 | -174.4 | 170.4 | -171.4 | 0 | 114 | N1333 Q1340 L1341 | N1333-K1337 WeakPolarHBondContact O-CB 3.28Å; N1333-K1337 VanDerWaalsContact O-CG 3.32Å; N1333-K1337 WeakPolarHBondContact O-CG 3.23Å; N1333-K1337 PolarHBondContact O-N 2.78Å; K1337-Q1340 CarbonylContact O-C 3.53Å; K1337-L1341 WeakPolarHBondContact O-CB 3.22Å; K1337-L1341 WeakPolarHBondContact O-CD1 3.24Å; K1337-L1341 WeakPolarHBondContact O-CG 3.32Å; K1337-L1341 PolarHBondContact O-N 3.46Å |
| 1338 | L | 62.8 | Low | 66.4 | Low | 86 Ų | 86 | 101.3 Ų | 101.3 | 45% | 0.45 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -73.6 | -38.4 | 173.7 | -167.4 | 77.1 | 0 | 0 | 0 | 108.9 | V1334 L1341 E1342 | V1334-L1338 VanDerWaalsContact O-CA 3.31Å; V1334-L1338 WeakPolarHBondContact O-CA 2.93Å; V1334-L1338 WeakPolarHBondContact O-CB 3.47Å; V1334-L1338 PolarHBondContact O-N 3.09Å; L1338-L1341 CarbonylContact O-C 3.52Å; L1338-L1341 VanDerWaalsContact O-C 3.26Å; L1338-L1341 WeakPolarHBondContact O-CA 3.25Å; L1338-L1341 PolarHBondContact O-N 3.13Å; L1338-L1341 VanDerWaalsContact O-N 3.14Å; L1338-E1342 HydrophobicContact CG-CG 4.14Å; L1338-E1342 WeakPolarHBondContact O-CA 3.38Å; L1338-E1342 WeakPolarHBondContact O-CB 3.44Å; L1338-E1342 WeakPolarHBondContact O-CG 3.34Å; L1338-E1342 PolarHBondContact O-N 3.31Å |
| 1339 | R | 68.8 | Low | 67 | Low | 158 Ų | 158 | 102 Ų | 102 | 60% | 0.596 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.6 | -29.6 | 172.5 | -167.3 | 178.3 | -165.3 | 150 | 9.9 | 112.6 | S1335 E1342 E1343 | S1335-R1339 WeakPolarHBondContact O-CA 3.09Å; S1335-R1339 WeakPolarHBondContact O-CB 3.36Å; S1335-R1339 PolarHBondContact O-N 3.46Å; R1339-E1342 CarbonylContact O-C 3.59Å; R1339-E1343 HydrophobicContact CG-CG 4.44Å; R1339-E1343 IonicContact NE-OE1 2.67Å; R1339-E1343 WeakPolarHBondContact O-CA 2.94Å; R1339-E1343 WeakPolarHBondContact O-CB 3.37Å; R1339-E1343 WeakPolarHBondContact O-CG 3.34Å; R1339-E1343 PolarHBondContact O-N 3.03Å |
| 1340 | Q | 70.4 | Confident | 67.2 | Low | 110 Ų | 110 | 98.8 Ų | 98.8 | 51% | 0.514 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -72.5 | -34.7 | 165.8 | -79.3 | 172.3 | -26.9 | 0 | 0 | 111.5 | T1336 K1337 E1342 E1343 E1344 | T1336-Q1340 WeakPolarHBondContact O-CA 3.25Å; T1336-Q1340 WeakPolarHBondContact O-CB 3.48Å; T1336-Q1340 WeakPolarHBondContact O-CG 3.44Å; T1336-Q1340 PolarHBondContact O-N 3.23Å; K1337-Q1340 CarbonylContact O-C 3.53Å; Q1340-E1342 VanDerWaalsContact C-N 3.31Å; Q1340-E1343 CarbonylContact O-C 3.55Å; Q1340-E1344 WeakPolarHBondContact O-CA 3.48Å; Q1340-E1344 WeakPolarHBondContact O-CB 2.99Å; Q1340-E1344 WeakPolarHBondContact O-CG 3.48Å; Q1340-E1344 PolarHBondContact O-N 3.3Å |
| 1341 | L | 65.1 | Low | 67.6 | Low | 99 Ų | 99 | 98.1 Ų | 98.1 | 52% | 0.518 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -79.4 | -12.7 | 173 | -73.7 | 165.1 | 0 | 0 | 0 | 112.7 | K1337 L1338 R1345 | K1337-L1341 WeakPolarHBondContact O-CB 3.22Å; K1337-L1341 WeakPolarHBondContact O-CD1 3.24Å; K1337-L1341 WeakPolarHBondContact O-CG 3.32Å; K1337-L1341 PolarHBondContact O-N 3.46Å; L1338-L1341 CarbonylContact O-C 3.52Å; L1338-L1341 VanDerWaalsContact O-C 3.26Å; L1338-L1341 WeakPolarHBondContact O-CA 3.25Å; L1338-L1341 PolarHBondContact O-N 3.13Å; L1338-L1341 VanDerWaalsContact O-N 3.14Å; L1341-R1345 WeakPolarHBondContact O-CA 3.3Å; L1341-R1345 WeakPolarHBondContact O-CB 3.46Å; L1341-R1345 PolarHBondContact O-N 3.01Å |
| 1342 | E | 67.6 | Low | 68 | Low | 75 Ų | 75 | 97.4 Ų | 97.4 | 35% | 0.35 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -100.5 | -21.3 | 172.7 | -74.7 | 168.3 | 156.4 | 0 | 0 | 110.2 | L1338 R1339 Q1340 N1346 | L1338-E1342 HydrophobicContact CG-CG 4.14Å; L1338-E1342 WeakPolarHBondContact O-CA 3.38Å; L1338-E1342 WeakPolarHBondContact O-CB 3.44Å; L1338-E1342 WeakPolarHBondContact O-CG 3.34Å; L1338-E1342 PolarHBondContact O-N 3.31Å; R1339-E1342 CarbonylContact O-C 3.59Å; Q1340-E1342 VanDerWaalsContact C-N 3.31Å; E1342-N1346 WeakPolarHBondContact O-CA 3.26Å; E1342-N1346 WeakPolarHBondContact O-CB 3.28Å; E1342-N1346 PolarHBondContact O-N 3.07Å; E1342-N1346 PolarHBondContact O-ND2 3.47Å; E1342-N1346 PolarHBondContact O-OD1 3.29Å |
| 1343 | E | 73.4 | Confident | 68.5 | Low | 108 Ų | 108 | 95.5 Ų | 95.5 | 51% | 0.505 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -83.8 | -27.7 | 163.5 | -74.6 | 165.1 | -171.4 | 0 | 0 | 110 | R1339 Q1340 S1347 | R1339-E1343 HydrophobicContact CG-CG 4.44Å; R1339-E1343 IonicContact NE-OE1 2.67Å; R1339-E1343 WeakPolarHBondContact O-CA 2.94Å; R1339-E1343 WeakPolarHBondContact O-CB 3.37Å; R1339-E1343 WeakPolarHBondContact O-CG 3.34Å; R1339-E1343 PolarHBondContact O-N 3.03Å; Q1340-E1343 CarbonylContact O-C 3.55Å; E1343-S1347 WeakPolarHBondContact O-CB 3.4Å; E1343-S1347 PolarHBondContact O-N 3.01Å; E1343-S1347 PolarHBondContact O-OG 3.03Å |
| 1344 | E | 71.6 | Confident | 68.7 | Low | 108 Ų | 108 | 97.1 Ų | 97.1 | 51% | 0.505 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -77.3 | -40.9 | 163.5 | -75.1 | 173.9 | -177.6 | 0 | 0 | 110.6 | Q1340 S1347 L1348 | Q1340-E1344 WeakPolarHBondContact O-CA 3.48Å; Q1340-E1344 WeakPolarHBondContact O-CB 2.99Å; Q1340-E1344 WeakPolarHBondContact O-CG 3.48Å; Q1340-E1344 PolarHBondContact O-N 3.3Å; E1344-S1347 WeakPolarHBondContact CA-OG 3.48Å; E1344-S1347 CarbonylContact O-C 3.3Å; E1344-S1347 PolarHBondContact O-N 3.37Å; E1344-S1347 PolarHBondContact O-OG 3.25Å; E1344-L1348 WeakPolarHBondContact O-CA 3.43Å; E1344-L1348 WeakPolarHBondContact O-CB 3.47Å; E1344-L1348 WeakPolarHBondContact O-CD1 3.36Å; E1344-L1348 WeakPolarHBondContact O-CG 3.44Å; E1344-L1348 PolarHBondContact O-N 2.96Å |
| 1345 | R | 70.6 | Confident | 68.9 | Low | 141 Ų | 141 | 99.1 Ų | 99.1 | 53% | 0.532 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.7 | -32.8 | 170.8 | -170.3 | -134.8 | 70.7 | -176.3 | 2.6 | 111.6 | L1341 Q1349 | L1341-R1345 WeakPolarHBondContact O-CA 3.3Å; L1341-R1345 WeakPolarHBondContact O-CB 3.46Å; L1341-R1345 PolarHBondContact O-N 3.01Å; R1345-Q1349 WeakPolarHBondContact O-CA 3.41Å; R1345-Q1349 WeakPolarHBondContact O-CB 3.5Å; R1345-Q1349 PolarHBondContact O-N 3.07Å |
| 1346 | N | 72.2 | Confident | 69.4 | Low | 69 Ų | 69 | 100.7 Ų | 100.7 | 37% | 0.369 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.7 | -41.8 | 171.2 | -72.7 | -20.9 | 0 | 0 | 0 | 110.2 | E1342 L1348 Q1349 D1350 | E1342-N1346 WeakPolarHBondContact O-CA 3.26Å; E1342-N1346 WeakPolarHBondContact O-CB 3.28Å; E1342-N1346 PolarHBondContact O-N 3.07Å; E1342-N1346 PolarHBondContact O-ND2 3.47Å; E1342-N1346 PolarHBondContact O-OD1 3.29Å; N1346-L1348 VanDerWaalsContact C-N 3.3Å; N1346-L1348 PolarHBondContact O-N 3.09Å; N1346-Q1349 CarbonylContact O-C 3.46Å; N1346-Q1349 PolarHBondContact O-N 3.32Å; N1346-D1350 WeakPolarHBondContact O-CA 3.24Å; N1346-D1350 WeakPolarHBondContact O-CB 3.49Å; N1346-D1350 PolarHBondContact O-N 3.26Å |
| 1347 | S | 71.6 | Confident | 69.5 | Low | 50 Ų | 50 | 102.9 Ų | 102.9 | 35% | 0.35 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -72.8 | -19.8 | 174.1 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | E1343 E1344 Q1351 | E1343-S1347 WeakPolarHBondContact O-CB 3.4Å; E1343-S1347 PolarHBondContact O-N 3.01Å; E1343-S1347 PolarHBondContact O-OG 3.03Å; E1344-S1347 WeakPolarHBondContact CA-OG 3.48Å; E1344-S1347 CarbonylContact O-C 3.3Å; E1344-S1347 PolarHBondContact O-N 3.37Å; E1344-S1347 PolarHBondContact O-OG 3.25Å; S1347-Q1351 WeakPolarHBondContact O-CA 3.04Å; S1347-Q1351 WeakPolarHBondContact O-CB 3.48Å; S1347-Q1351 VanDerWaalsContact O-CD 3.31Å; S1347-Q1351 WeakPolarHBondContact O-CG 3.34Å; S1347-Q1351 PolarHBondContact O-N 3.5Å |
| 1348 | L | 68 | Low | 69.6 | Low | 107 Ų | 107 | 98.4 Ų | 98.4 | 56% | 0.56 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -83.9 | -25.5 | 167.8 | -73.2 | 167.8 | 0 | 0 | 0 | 112.5 | E1344 N1346 L1352 | E1344-L1348 WeakPolarHBondContact O-CA 3.43Å; E1344-L1348 WeakPolarHBondContact O-CB 3.47Å; E1344-L1348 WeakPolarHBondContact O-CD1 3.36Å; E1344-L1348 WeakPolarHBondContact O-CG 3.44Å; E1344-L1348 PolarHBondContact O-N 2.96Å; N1346-L1348 VanDerWaalsContact C-N 3.3Å; N1346-L1348 PolarHBondContact O-N 3.09Å; L1348-L1352 WeakPolarHBondContact O-CB 3.14Å; L1348-L1352 PolarHBondContact O-N 3.5Å |
| 1349 | Q | 71.6 | Confident | 69.9 | Low | 74 Ų | 74 | 99.7 Ų | 99.7 | 35% | 0.346 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -81.1 | -40.6 | 172.2 | -174.7 | 68.8 | 55.8 | 0 | 0 | 110.1 | R1345 N1346 Q1351 L1352 D1353 | R1345-Q1349 WeakPolarHBondContact O-CA 3.41Å; R1345-Q1349 WeakPolarHBondContact O-CB 3.5Å; R1345-Q1349 PolarHBondContact O-N 3.07Å; N1346-Q1349 CarbonylContact O-C 3.46Å; N1346-Q1349 PolarHBondContact O-N 3.32Å; Q1349-Q1351 VanDerWaalsContact C-N 3.34Å; Q1349-L1352 CarbonylContact O-C 3.54Å; Q1349-L1352 PolarHBondContact O-N 3.07Å; Q1349-L1352 VanDerWaalsContact O-N 3.13Å; Q1349-D1353 PolarHBondContact NE2-OD1 3.43Å; Q1349-D1353 WeakPolarHBondContact O-CA 2.95Å; Q1349-D1353 WeakPolarHBondContact O-CB 3.32Å; Q1349-D1353 PolarHBondContact O-N 2.86Å |
| 1350 | D | 72.4 | Confident | 70 | Confident | 99 Ų | 99 | 96.9 Ų | 96.9 | 53% | 0.529 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.6 | -37.1 | 168.4 | -63.8 | -27.1 | 0 | 0 | 0 | 109.4 | N1346 E1354 | N1346-D1350 WeakPolarHBondContact O-CA 3.24Å; N1346-D1350 WeakPolarHBondContact O-CB 3.49Å; N1346-D1350 PolarHBondContact O-N 3.26Å; D1350-E1354 WeakPolarHBondContact O-CA 3.18Å; D1350-E1354 WeakPolarHBondContact O-CB 2.94Å; D1350-E1354 VanDerWaalsContact O-CG 3.27Å; D1350-E1354 WeakPolarHBondContact O-CG 2.94Å; D1350-E1354 PolarHBondContact O-N 3.16Å |
| 1351 | Q | 70.4 | Confident | 70 | Confident | 107 Ų | 107 | 94.7 Ų | 94.7 | 50% | 0.5 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.7 | -26.2 | 168.1 | -80.1 | 167.3 | 28.9 | 0 | 0 | 113.1 | S1347 Q1349 E1355 | S1347-Q1351 WeakPolarHBondContact O-CA 3.04Å; S1347-Q1351 WeakPolarHBondContact O-CB 3.48Å; S1347-Q1351 VanDerWaalsContact O-CD 3.31Å; S1347-Q1351 WeakPolarHBondContact O-CG 3.34Å; S1347-Q1351 PolarHBondContact O-N 3.5Å; Q1349-Q1351 VanDerWaalsContact C-N 3.34Å; Q1351-E1355 WeakPolarHBondContact O-CA 3.39Å; Q1351-E1355 WeakPolarHBondContact O-CB 3.41Å; Q1351-E1355 WeakPolarHBondContact O-CG 3.24Å; Q1351-E1355 PolarHBondContact O-N 2.85Å |
| 1352 | L | 67.7 | Low | 69.9 | Low | 88 Ų | 88 | 94.8 Ų | 94.8 | 46% | 0.461 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -78.9 | -30.8 | 174.2 | -178.1 | 62.1 | 0 | 0 | 0 | 111.3 | L1348 Q1349 E1355 M1356 | L1348-L1352 WeakPolarHBondContact O-CB 3.14Å; L1348-L1352 PolarHBondContact O-N 3.5Å; Q1349-L1352 CarbonylContact O-C 3.54Å; Q1349-L1352 PolarHBondContact O-N 3.07Å; Q1349-L1352 VanDerWaalsContact O-N 3.13Å; L1352-E1355 CarbonylContact O-C 3.57Å; L1352-M1356 HydrophobicContact CG-CE 4.45Å; L1352-M1356 VanDerWaalsContact O-CB 3.24Å; L1352-M1356 WeakPolarHBondContact O-CB 3.23Å; L1352-M1356 VanDerWaalsContact O-CG 3.23Å; L1352-M1356 WeakPolarHBondContact O-CG 3.27Å; L1352-M1356 PolarHBondContact O-N 2.91Å |
| 1353 | D | 72.5 | Confident | 69.7 | Low | 67 Ų | 67 | 96.2 Ų | 96.2 | 36% | 0.358 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -85.8 | -31 | 177.2 | -67.8 | -9.3 | 0 | 0 | 0 | 110 | Q1349 M1356 E1357 | Q1349-D1353 PolarHBondContact NE2-OD1 3.43Å; Q1349-D1353 WeakPolarHBondContact O-CA 2.95Å; Q1349-D1353 WeakPolarHBondContact O-CB 3.32Å; Q1349-D1353 PolarHBondContact O-N 2.86Å; D1353-M1356 PolarHBondContact O-N 3.45Å; D1353-M1356 WeakPolarHBondContact OD1-CE 3.13Å; D1353-E1357 VanDerWaalsContact O-CB 3.27Å; D1353-E1357 WeakPolarHBondContact O-CB 3.21Å; D1353-E1357 PolarHBondContact O-N 2.97Å |
| 1354 | E | 71.7 | Confident | 69.5 | Low | 142 Ų | 142 | 96.5 Ų | 96.5 | 66% | 0.664 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -70 | -35.7 | 160.9 | -77.9 | -168.2 | 156.3 | 0 | 0 | 111.2 | D1350 A1358 | D1350-E1354 WeakPolarHBondContact O-CA 3.18Å; D1350-E1354 WeakPolarHBondContact O-CB 2.94Å; D1350-E1354 VanDerWaalsContact O-CG 3.27Å; D1350-E1354 WeakPolarHBondContact O-CG 2.94Å; D1350-E1354 PolarHBondContact O-N 3.16Å; E1354-A1358 WeakPolarHBondContact O-CA 3.39Å; E1354-A1358 WeakPolarHBondContact O-CB 3.46Å; E1354-A1358 PolarHBondContact O-N 2.79Å |
| 1355 | E | 64.1 | Low | 69.3 | Low | 131 Ų | 131 | 97 Ų | 97 | 61% | 0.612 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -70.2 | -31.4 | 169 | -93.6 | -84.8 | 139.8 | 0 | 0 | 111.2 | Q1351 L1352 K1359 | Q1351-E1355 WeakPolarHBondContact O-CA 3.39Å; Q1351-E1355 WeakPolarHBondContact O-CB 3.41Å; Q1351-E1355 WeakPolarHBondContact O-CG 3.24Å; Q1351-E1355 PolarHBondContact O-N 2.85Å; L1352-E1355 CarbonylContact O-C 3.57Å; E1355-K1359 WeakPolarHBondContact O-CA 3.15Å; E1355-K1359 WeakPolarHBondContact O-CB 3.2Å; E1355-K1359 PolarHBondContact O-N 2.66Å |
| 1356 | M | 69.3 | Low | 68.8 | Low | 91 Ų | 91 | 94.3 Ų | 94.3 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -79.9 | -34.4 | 175.9 | -80.7 | -163.6 | -63.2 | 0 | 0 | 112.2 | L1352 D1353 Q1360 | L1352-M1356 HydrophobicContact CG-CE 4.45Å; L1352-M1356 VanDerWaalsContact O-CB 3.24Å; L1352-M1356 WeakPolarHBondContact O-CB 3.23Å; L1352-M1356 VanDerWaalsContact O-CG 3.23Å; L1352-M1356 WeakPolarHBondContact O-CG 3.27Å; L1352-M1356 PolarHBondContact O-N 2.91Å; D1353-M1356 PolarHBondContact O-N 3.45Å; D1353-M1356 WeakPolarHBondContact OD1-CE 3.13Å; M1356-Q1360 VanDerWaalsContact O-CB 3.28Å; M1356-Q1360 WeakPolarHBondContact O-CB 3.32Å; M1356-Q1360 WeakPolarHBondContact O-CG 3.5Å; M1356-Q1360 PolarHBondContact O-N 2.74Å |
| 1357 | E | 71.5 | Confident | 68.6 | Low | 116 Ų | 116 | 94 Ų | 94 | 54% | 0.542 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -69.5 | -40.9 | 166.6 | -86.6 | -118.7 | 106.6 | 0 | 0 | 110.6 | D1353 K1359 Q1360 N1361 | D1353-E1357 VanDerWaalsContact O-CB 3.27Å; D1353-E1357 WeakPolarHBondContact O-CB 3.21Å; D1353-E1357 PolarHBondContact O-N 2.97Å; E1357-K1359 VanDerWaalsContact C-N 3.35Å; E1357-Q1360 PolarHBondContact O-N 3.21Å; E1357-N1361 WeakPolarHBondContact O-CA 3.35Å; E1357-N1361 WeakPolarHBondContact O-CB 3.42Å; E1357-N1361 PolarHBondContact O-N 2.89Å; E1357-N1361 PolarHBondContact O-ND2 3.45Å |
| 1358 | A | 68.7 | Low | 68.4 | Low | 41 Ų | 41 | 95 Ų | 95 | 34% | 0.339 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -67.8 | -35.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | E1354 N1361 L1362 | E1354-A1358 WeakPolarHBondContact O-CA 3.39Å; E1354-A1358 WeakPolarHBondContact O-CB 3.46Å; E1354-A1358 PolarHBondContact O-N 2.79Å; A1358-N1361 CarbonylContact O-C 3.56Å; A1358-L1362 WeakPolarHBondContact O-CA 3.25Å; A1358-L1362 WeakPolarHBondContact O-CB 3.45Å; A1358-L1362 WeakPolarHBondContact O-CD1 3.44Å; A1358-L1362 WeakPolarHBondContact O-CG 3.47Å; A1358-L1362 PolarHBondContact O-N 2.86Å |
| 1359 | K | 69.1 | Low | 68 | Low | 113 Ų | 113 | 94 Ų | 94 | 49% | 0.491 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -72.3 | -41.8 | 173.5 | -180 | 179.8 | 171.1 | -170.2 | 0 | 111.6 | E1355 E1357 L1362 E1363 | E1355-K1359 WeakPolarHBondContact O-CA 3.15Å; E1355-K1359 WeakPolarHBondContact O-CB 3.2Å; E1355-K1359 PolarHBondContact O-N 2.66Å; E1357-K1359 VanDerWaalsContact C-N 3.35Å; K1359-L1362 CarbonylContact O-C 3.52Å; K1359-L1362 PolarHBondContact O-N 2.88Å; K1359-E1363 WeakPolarHBondContact CE-OE1 3.36Å; K1359-E1363 WeakPolarHBondContact O-CB 3.31Å; K1359-E1363 VanDerWaalsContact O-CG 3.3Å; K1359-E1363 WeakPolarHBondContact O-CG 3.4Å; K1359-E1363 PolarHBondContact O-N 2.86Å |
| 1360 | Q | 70.2 | Confident | 67.4 | Low | 99 Ų | 99 | 95 Ų | 95 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -39 | 171.9 | -79.1 | -163.9 | 32.7 | 0 | 0 | 111.3 | M1356 E1357 L1362 E1363 R1364 | M1356-Q1360 VanDerWaalsContact O-CB 3.28Å; M1356-Q1360 WeakPolarHBondContact O-CB 3.32Å; M1356-Q1360 WeakPolarHBondContact O-CG 3.5Å; M1356-Q1360 PolarHBondContact O-N 2.74Å; E1357-Q1360 PolarHBondContact O-N 3.21Å; Q1360-L1362 VanDerWaalsContact C-N 3.34Å; Q1360-E1363 PolarHBondContact O-N 2.71Å; Q1360-R1364 VanDerWaalsContact O-CB 3.32Å; Q1360-R1364 WeakPolarHBondContact O-CB 3.21Å; Q1360-R1364 WeakPolarHBondContact O-CD 3.33Å; Q1360-R1364 WeakPolarHBondContact O-CG 3.29Å; Q1360-R1364 PolarHBondContact O-N 3.39Å |
| 1361 | N | 70.7 | Confident | 67.1 | Low | 63 Ų | 63 | 96.3 Ų | 96.3 | 34% | 0.337 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.6 | -29.6 | 175.2 | -73.1 | -44.8 | 0 | 0 | 0 | 111.9 | E1357 A1358 R1364 H1365 | E1357-N1361 WeakPolarHBondContact O-CA 3.35Å; E1357-N1361 WeakPolarHBondContact O-CB 3.42Å; E1357-N1361 PolarHBondContact O-N 2.89Å; E1357-N1361 PolarHBondContact O-ND2 3.45Å; A1358-N1361 CarbonylContact O-C 3.56Å; N1361-R1364 PolarHBondContact OD1-NH1 2.94Å; N1361-H1365 WeakPolarHBondContact O-CB 3.4Å; N1361-H1365 PolarHBondContact O-N 2.68Å; N1361-H1365 PolarHBondContact O-ND1 2.83Å |
| 1362 | L | 62.1 | Low | 66.5 | Low | 101 Ų | 101 | 96.6 Ų | 96.6 | 53% | 0.529 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -71.4 | -37.8 | 167.4 | -83.9 | 164.9 | 0 | 0 | 0 | 111.3 | A1358 K1359 Q1360 H1365 I1366 | A1358-L1362 WeakPolarHBondContact O-CA 3.25Å; A1358-L1362 WeakPolarHBondContact O-CB 3.45Å; A1358-L1362 WeakPolarHBondContact O-CD1 3.44Å; A1358-L1362 WeakPolarHBondContact O-CG 3.47Å; A1358-L1362 PolarHBondContact O-N 2.86Å; K1359-L1362 CarbonylContact O-C 3.52Å; K1359-L1362 PolarHBondContact O-N 2.88Å; Q1360-L1362 VanDerWaalsContact C-N 3.34Å; L1362-H1365 CarbonylContact O-C 3.54Å; L1362-H1365 PolarHBondContact O-N 3.41Å; L1362-I1366 HydrophobicContact CB-CD1 4.34Å; L1362-I1366 WeakPolarHBondContact O-CA 3.34Å; L1362-I1366 WeakPolarHBondContact O-CB 3.5Å; L1362-I1366 WeakPolarHBondContact O-CD1 3.3Å; L1362-I1366 WeakPolarHBondContact O-CG1 3.25Å; L1362-I1366 PolarHBondContact O-N 3.38Å |
| 1363 | E | 63.5 | Low | 65.8 | Low | 106 Ų | 106 | 96 Ų | 96 | 50% | 0.495 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -71 | -37.5 | 175.7 | -77.1 | 171.6 | -176.3 | 0 | 0 | 110.7 | K1359 Q1360 I1366 S1367 | K1359-E1363 WeakPolarHBondContact CE-OE1 3.36Å; K1359-E1363 WeakPolarHBondContact O-CB 3.31Å; K1359-E1363 VanDerWaalsContact O-CG 3.3Å; K1359-E1363 WeakPolarHBondContact O-CG 3.4Å; K1359-E1363 PolarHBondContact O-N 2.86Å; Q1360-E1363 PolarHBondContact O-N 2.71Å; E1363-I1366 PolarHBondContact O-N 3.43Å; E1363-S1367 WeakPolarHBondContact O-CB 3.21Å; E1363-S1367 PolarHBondContact O-N 3.27Å; E1363-S1367 PolarHBondContact O-OG 3.28Å |
| 1364 | R | 70.1 | Confident | 65.2 | Low | 114 Ų | 114 | 96.7 Ų | 96.7 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 167.7 | -66.6 | 163.3 | -159.9 | 167.4 | 0.8 | 111.6 | Q1360 N1361 S1367 T1368 | Q1360-R1364 VanDerWaalsContact O-CB 3.32Å; Q1360-R1364 WeakPolarHBondContact O-CB 3.21Å; Q1360-R1364 WeakPolarHBondContact O-CD 3.33Å; Q1360-R1364 WeakPolarHBondContact O-CG 3.29Å; Q1360-R1364 PolarHBondContact O-N 3.39Å; N1361-R1364 PolarHBondContact OD1-NH1 2.94Å; R1364-S1367 PolarHBondContact O-OG 3.46Å; R1364-T1368 WeakPolarHBondContact O-CB 2.98Å; R1364-T1368 PolarHBondContact O-N 3.13Å; R1364-T1368 PolarHBondContact O-OG1 3.34Å |
| 1365 | H | 67.4 | Low | 64.5 | Low | 118 Ų | 118 | 96.6 Ų | 96.6 | 55% | 0.546 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -72.3 | -32.1 | 174.3 | -92.5 | 57 | 0 | 0 | 0 | 112.3 | N1361 L1362 L1369 | N1361-H1365 WeakPolarHBondContact O-CB 3.4Å; N1361-H1365 PolarHBondContact O-N 2.68Å; N1361-H1365 PolarHBondContact O-ND1 2.83Å; L1362-H1365 CarbonylContact O-C 3.54Å; L1362-H1365 PolarHBondContact O-N 3.41Å; H1365-L1369 HydrophobicContact CB-CD1 4.47Å; H1365-L1369 WeakPolarHBondContact O-CA 3.19Å; H1365-L1369 WeakPolarHBondContact O-CB 3.17Å; H1365-L1369 WeakPolarHBondContact O-CD1 3.42Å; H1365-L1369 WeakPolarHBondContact O-CG 3.17Å; H1365-L1369 PolarHBondContact O-N 2.67Å |
| 1366 | I | 60.9 | Low | 64.1 | Low | 84 Ų | 84 | 93.1 Ų | 93.1 | 43% | 0.431 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -77.5 | -33.3 | 179.6 | -75.4 | 163.2 | 0 | 0 | 0 | 109.8 | L1362 E1363 N1370 | L1362-I1366 HydrophobicContact CB-CD1 4.34Å; L1362-I1366 WeakPolarHBondContact O-CA 3.34Å; L1362-I1366 WeakPolarHBondContact O-CB 3.5Å; L1362-I1366 WeakPolarHBondContact O-CD1 3.3Å; L1362-I1366 WeakPolarHBondContact O-CG1 3.25Å; L1362-I1366 PolarHBondContact O-N 3.38Å; E1363-I1366 PolarHBondContact O-N 3.43Å; I1366-N1370 WeakPolarHBondContact CG2-ND2 3.3Å; I1366-N1370 WeakPolarHBondContact O-CB 3.36Å; I1366-N1370 VanDerWaalsContact O-CG 3.22Å; I1366-N1370 PolarHBondContact O-N 3.1Å; I1366-N1370 PolarHBondContact O-ND2 3.09Å |
| 1367 | S | 66.2 | Low | 63.3 | Low | 64 Ų | 64 | 95.6 Ų | 95.6 | 45% | 0.448 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.7 | -47 | 168.6 | 66.8 | 0 | 0 | 0 | 0 | 111.1 | E1363 R1364 L1369 N1370 I1371 | E1363-S1367 WeakPolarHBondContact O-CB 3.21Å; E1363-S1367 PolarHBondContact O-N 3.27Å; E1363-S1367 PolarHBondContact O-OG 3.28Å; R1364-S1367 PolarHBondContact O-OG 3.46Å; S1367-L1369 PolarHBondContact O-N 3.47Å; S1367-N1370 PolarHBondContact O-N 3.38Å; S1367-I1371 WeakPolarHBondContact O-CG1 3.01Å; S1367-I1371 PolarHBondContact O-N 3.41Å; S1367-I1371 VanDerWaalsContact O-N 3.13Å |
| 1368 | T | 69.2 | Low | 62.5 | Low | 71 Ų | 71 | 99.4 Ų | 99.4 | 44% | 0.436 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 176.4 | -54.3 | 0 | 0 | 0 | 0 | 112.1 | R1364 I1371 Q1372 | R1364-T1368 WeakPolarHBondContact O-CB 2.98Å; R1364-T1368 PolarHBondContact O-N 3.13Å; R1364-T1368 PolarHBondContact O-OG1 3.34Å; T1368-I1371 PolarHBondContact O-N 3.07Å; T1368-Q1372 WeakPolarHBondContact O-CG 3.39Å; T1368-Q1372 PolarHBondContact O-N 3.41Å; T1368-Q1372 VanDerWaalsContact O-N 3.09Å |
| 1369 | L | 57.6 | Low | 61.9 | Low | 85 Ų | 85 | 107 Ų | 107 | 45% | 0.445 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -71.5 | -39.3 | 176.6 | -75.5 | 166.6 | 0 | 0 | 0 | 111.2 | H1365 S1367 I1371 Q1372 L1373 | H1365-L1369 HydrophobicContact CB-CD1 4.47Å; H1365-L1369 WeakPolarHBondContact O-CA 3.19Å; H1365-L1369 WeakPolarHBondContact O-CB 3.17Å; H1365-L1369 WeakPolarHBondContact O-CD1 3.42Å; H1365-L1369 WeakPolarHBondContact O-CG 3.17Å; H1365-L1369 PolarHBondContact O-N 2.67Å; S1367-L1369 PolarHBondContact O-N 3.47Å; L1369-I1371 PolarHBondContact O-N 3.43Å; L1369-Q1372 CarbonylContact O-C 3.48Å; L1369-Q1372 PolarHBondContact O-N 2.82Å; L1369-Q1372 VanDerWaalsContact O-N 3.1Å; L1369-L1373 WeakPolarHBondContact O-CA 3.44Å; L1369-L1373 WeakPolarHBondContact O-CB 3.16Å; L1369-L1373 PolarHBondContact O-N 2.69Å |
| 1370 | N | 60.1 | Low | 61.1 | Low | 95 Ų | 95 | 106.9 Ų | 106.9 | 51% | 0.508 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.6 | -36.3 | 175.1 | -86.4 | -47.6 | 0 | 0 | 0 | 111.6 | I1366 S1367 S1374 | I1366-N1370 WeakPolarHBondContact CG2-ND2 3.3Å; I1366-N1370 WeakPolarHBondContact O-CB 3.36Å; I1366-N1370 VanDerWaalsContact O-CG 3.22Å; I1366-N1370 PolarHBondContact O-N 3.1Å; I1366-N1370 PolarHBondContact O-ND2 3.09Å; S1367-N1370 PolarHBondContact O-N 3.38Å; N1370-S1374 PolarHBondContact O-N 2.82Å; N1370-S1374 VanDerWaalsContact O-N 3.1Å |
| 1371 | I | 65.1 | Low | 60.5 | Low | 126 Ų | 126 | 110.7 Ų | 110.7 | 65% | 0.646 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -64.1 | -49.1 | 172 | -66.4 | 166.1 | 0 | 0 | 0 | 110.8 | S1367 T1368 L1369 L1373 S1374 | S1367-I1371 WeakPolarHBondContact O-CG1 3.01Å; S1367-I1371 PolarHBondContact O-N 3.41Å; S1367-I1371 VanDerWaalsContact O-N 3.13Å; T1368-I1371 PolarHBondContact O-N 3.07Å; L1369-I1371 PolarHBondContact O-N 3.43Å; I1371-L1373 PolarHBondContact O-N 2.87Å; I1371-S1374 WeakPolarHBondContact O-CB 3.48Å; I1371-S1374 PolarHBondContact O-N 3.37Å |
| 1372 | Q | 59.1 | Low | 59.8 | Low | 114 Ų | 114 | 115.1 Ų | 115.1 | 53% | 0.533 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -71.1 | -26.7 | 179 | -66.9 | 179.2 | 8 | 0 | 0 | 114.3 | T1368 L1369 S1376 | T1368-Q1372 WeakPolarHBondContact O-CG 3.39Å; T1368-Q1372 PolarHBondContact O-N 3.41Å; T1368-Q1372 VanDerWaalsContact O-N 3.09Å; L1369-Q1372 CarbonylContact O-C 3.48Å; L1369-Q1372 PolarHBondContact O-N 2.82Å; L1369-Q1372 VanDerWaalsContact O-N 3.1Å; Q1372-S1376 WeakPolarHBondContact O-CB 3.45Å; Q1372-S1376 PolarHBondContact O-N 3.38Å; Q1372-S1376 VanDerWaalsContact O-N 3.08Å; Q1372-S1376 PolarHBondContact O-OG 3.26Å |
| 1373 | L | 53.3 | Low | 59.5 | Low | 74 Ų | 74 | 117.5 Ų | 117.5 | 39% | 0.387 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -82 | -22.4 | -178.4 | -167 | 111.2 | 0 | 0 | 0 | 111.3 | L1369 I1371 K1377 | L1369-L1373 WeakPolarHBondContact O-CA 3.44Å; L1369-L1373 WeakPolarHBondContact O-CB 3.16Å; L1369-L1373 PolarHBondContact O-N 2.69Å; I1371-L1373 PolarHBondContact O-N 2.87Å; L1373-K1377 HydrophobicContact CD2-CD 4.06Å; L1373-K1377 VanDerWaalsContact CD2-CE 3.46Å; L1373-K1377 HydrophobicContact CD2-CG 4.41Å; L1373-K1377 HydrophobicContact CG-CD 4.49Å; L1373-K1377 HydrophobicContact CG-CG 4.39Å; L1373-K1377 VanDerWaalsContact O-CB 3.23Å; L1373-K1377 WeakPolarHBondContact O-CB 3.49Å; L1373-K1377 VanDerWaalsContact O-CG 3.24Å; L1373-K1377 WeakPolarHBondContact O-CG 3.2Å; L1373-K1377 PolarHBondContact O-N 3.03Å |
| 1374 | S | 59 | Low | 59.2 | Low | 83 Ų | 83 | 114.6 Ų | 114.6 | 58% | 0.58 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -55.8 | -54.2 | 165.6 | -176.5 | 0 | 0 | 0 | 0 | 110.9 | N1370 I1371 | N1370-S1374 PolarHBondContact O-N 2.82Å; N1370-S1374 VanDerWaalsContact O-N 3.1Å; I1371-S1374 WeakPolarHBondContact O-CB 3.48Å; I1371-S1374 PolarHBondContact O-N 3.37Å |
| 1375 | D | 57.7 | Low | 58.9 | Low | 139 Ų | 139 | 113.1 Ų | 113.1 | 74% | 0.743 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -73.2 | -33.5 | 179.7 | -76.5 | -18.7 | 0 | 0 | 0 | 112.8 | ||
| 1376 | S | 54.4 | Low | 58.6 | Low | 59 Ų | 59 | 111.4 Ų | 111.4 | 41% | 0.413 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -75.7 | -28.2 | -178.4 | -57.7 | 0 | 0 | 0 | 0 | 113.8 | Q1372 K1378 K1379 | Q1372-S1376 WeakPolarHBondContact O-CB 3.45Å; Q1372-S1376 PolarHBondContact O-N 3.38Å; Q1372-S1376 VanDerWaalsContact O-N 3.08Å; Q1372-S1376 PolarHBondContact O-OG 3.26Å; S1376-K1378 PolarHBondContact O-N 3.25Å; S1376-K1379 PolarHBondContact O-N 3.25Å |
| 1377 | K | 53 | Low | 58.6 | Low | 143 Ų | 143 | 111.1 Ų | 111.1 | 62% | 0.622 | 59% | 0.586 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.2 | -22.7 | -179.2 | -98.3 | 168.8 | 171.4 | 165.7 | 0 | 114 | L1373 K1379 | L1373-K1377 HydrophobicContact CD2-CD 4.06Å; L1373-K1377 VanDerWaalsContact CD2-CE 3.46Å; L1373-K1377 HydrophobicContact CD2-CG 4.41Å; L1373-K1377 HydrophobicContact CG-CD 4.49Å; L1373-K1377 HydrophobicContact CG-CG 4.39Å; L1373-K1377 VanDerWaalsContact O-CB 3.23Å; L1373-K1377 WeakPolarHBondContact O-CB 3.49Å; L1373-K1377 VanDerWaalsContact O-CG 3.24Å; L1373-K1377 WeakPolarHBondContact O-CG 3.2Å; L1373-K1377 PolarHBondContact O-N 3.03Å; K1377-K1379 VanDerWaalsContact C-N 3.32Å; K1377-K1379 PolarHBondContact O-N 2.82Å |
| 1378 | K | 55.5 | Low | 58.4 | Low | 196 Ų | 196 | 114.5 Ų | 114.5 | 85% | 0.852 | 60% | 0.595 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84 | 6.3 | -176.8 | -135.2 | 169.9 | -170.9 | 169.9 | 0 | 115.3 | S1376 | S1376-K1378 PolarHBondContact O-N 3.25Š|
| 1379 | K | 55.4 | Low | 58.3 | Low | 201 Ų | 201 | 114.3 Ų | 114.3 | 87% | 0.874 | 60% | 0.601 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -136.3 | -6.7 | -179.2 | -73.4 | -176.7 | 178.5 | 173.4 | 0 | 116.5 | S1376 K1377 | S1376-K1379 PolarHBondContact O-N 3.25Å; K1377-K1379 VanDerWaalsContact C-N 3.32Å; K1377-K1379 PolarHBondContact O-N 2.82Å |
| 1380 | L | 53.5 | Low | 58.6 | Low | 110 Ų | 110 | 116.4 Ų | 116.4 | 58% | 0.576 | 61% | 0.612 | S | S | * | * | trans | -102.7 | -4.1 | -161.5 | -139 | 129.1 | 0 | 0 | 0 | 115.7 | D1382 F1383 | L1380-D1382 PolarHBondContact O-N 3.32Å; L1380-F1383 PolarHBondContact O-N 2.78Å | ||
| 1381 | Q | 56.5 | Low | 58.8 | Low | 178 Ų | 178 | 117.2 Ų | 117.2 | 83% | 0.832 | 61% | 0.613 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -22.9 | -162.6 | -162 | 162.5 | 0.5 | 0 | 0 | 115.3 | ||
| 1382 | D | 55.5 | Low | 58.9 | Low | 156 Ų | 156 | 116.4 Ų | 116.4 | 83% | 0.834 | 61% | 0.606 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.1 | -6.2 | 179.2 | -69.1 | -29.7 | 0 | 0 | 0 | 114.3 | L1380 | L1380-D1382 PolarHBondContact O-N 3.32Š|
| 1383 | F | 56.8 | Low | 59.6 | Low | 152 Ų | 152 | 112.1 Ų | 112.1 | 67% | 0.667 | 59% | 0.592 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.1 | -14.9 | -175.1 | -119.8 | -84.6 | 0 | 0 | 0 | 114.5 | L1380 | L1380-F1383 PolarHBondContact O-N 2.78Š|
| 1384 | A | 57.2 | Low | 60.6 | Low | 45 Ų | 45 | 115.5 Ų | 115.5 | 37% | 0.372 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -66.2 | -45.2 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | T1386 V1387 E1388 | A1384-T1386 VanDerWaalsContact C-N 3.26Å; A1384-T1386 PolarHBondContact O-N 3.36Å; A1384-V1387 PolarHBondContact O-N 2.93Å; A1384-E1388 PolarHBondContact O-N 2.9Å; A1384-E1388 VanDerWaalsContact O-N 3.07Å |
| 1385 | S | 62.5 | Low | 61.4 | Low | 82 Ų | 82 | 118.6 Ų | 118.6 | 57% | 0.573 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -62.6 | -30 | -175.3 | 54.9 | 0 | 0 | 0 | 0 | 113.6 | V1387 A1389 | S1385-V1387 VanDerWaalsContact C-N 3.35Å; S1385-A1389 PolarHBondContact O-N 2.97Å |
| 1386 | T | 61.2 | Low | 62.3 | Low | 82 Ų | 82 | 119.7 Ų | 119.7 | 50% | 0.503 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -73.8 | -26 | 175 | -14.3 | 0 | 0 | 0 | 0 | 112.9 | A1384 L1390 | A1384-T1386 VanDerWaalsContact C-N 3.26Å; A1384-T1386 PolarHBondContact O-N 3.36Å; T1386-L1390 WeakPolarHBondContact O-CG 2.87Å |
| 1387 | V | 61.9 | Low | 63.3 | Low | 78 Ų | 78 | 123.4 Ų | 123.4 | 47% | 0.473 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -82 | -44.3 | 177.9 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | A1384 S1385 A1389 L1390 E1391 | A1384-V1387 PolarHBondContact O-N 2.93Å; S1385-V1387 VanDerWaalsContact C-N 3.35Å; V1387-A1389 VanDerWaalsContact C-N 3.28Å; V1387-A1389 PolarHBondContact O-N 2.86Å; V1387-L1390 PolarHBondContact O-N 2.88Å; V1387-E1391 HydrophobicContact CG1-CG 4.45Å; V1387-E1391 PolarHBondContact O-N 3.45Å |
| 1388 | E | 62.4 | Low | 64.5 | Low | 136 Ų | 136 | 121.2 Ų | 121.2 | 64% | 0.636 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -56.4 | -42.1 | 175 | -68.9 | -179.7 | 129.8 | 0 | 0 | 111.9 | A1384 L1390 E1391 E1392 | A1384-E1388 PolarHBondContact O-N 2.9Å; A1384-E1388 VanDerWaalsContact O-N 3.07Å; E1388-L1390 VanDerWaalsContact C-N 3.3Å; E1388-L1390 PolarHBondContact O-N 2.86Å; E1388-E1391 PolarHBondContact O-N 2.96Å; E1388-E1392 PolarHBondContact O-N 3.41Å |
| 1389 | A | 66.1 | Low | 65.7 | Low | 67 Ų | 67 | 118.5 Ų | 118.5 | 55% | 0.554 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -62.8 | -32.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1385 V1387 G1393 | S1385-A1389 PolarHBondContact O-N 2.97Å; V1387-A1389 VanDerWaalsContact C-N 3.28Å; V1387-A1389 PolarHBondContact O-N 2.86Å; A1389-G1393 PolarHBondContact O-N 2.9Å; A1389-G1393 VanDerWaalsContact O-N 3.11Å |
| 1390 | L | 63.5 | Low | 67 | Low | 128 Ų | 128 | 114 Ų | 114 | 67% | 0.67 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -79.2 | -34.1 | 176.2 | -74.7 | 169.7 | 0 | 0 | 0 | 112.2 | T1386 V1387 E1388 G1393 K1394 | T1386-L1390 WeakPolarHBondContact O-CG 2.87Å; V1387-L1390 PolarHBondContact O-N 2.88Å; E1388-L1390 VanDerWaalsContact C-N 3.3Å; E1388-L1390 PolarHBondContact O-N 2.86Å; L1390-G1393 PolarHBondContact O-N 2.99Å; L1390-K1394 WeakPolarHBondContact O-CB 3.19Å; L1390-K1394 PolarHBondContact O-N 2.81Å |
| 1391 | E | 65 | Low | 68.3 | Low | 113 Ų | 113 | 113.9 Ų | 113.9 | 53% | 0.528 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.5 | -37.7 | 173.6 | -67.7 | -149.3 | 139.8 | 0 | 0 | 112.6 | V1387 E1388 G1393 K1394 K1395 | V1387-E1391 HydrophobicContact CG1-CG 4.45Å; V1387-E1391 PolarHBondContact O-N 3.45Å; E1388-E1391 PolarHBondContact O-N 2.96Å; E1391-G1393 VanDerWaalsContact C-N 3.34Å; E1391-K1394 PolarHBondContact O-N 2.86Å; E1391-K1395 WeakPolarHBondContact O-CB 3.37Å; E1391-K1395 WeakPolarHBondContact O-CG 3.49Å; E1391-K1395 PolarHBondContact O-N 2.88Å |
| 1392 | E | 67.6 | Low | 69.5 | Low | 109 Ų | 109 | 110.2 Ų | 110.2 | 51% | 0.509 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -58.5 | -46.9 | 166.4 | -86.9 | -138.4 | 163.2 | 0 | 0 | 111.1 | E1388 K1394 K1395 R1396 | E1388-E1392 PolarHBondContact O-N 3.41Å; E1392-K1394 VanDerWaalsContact C-N 3.34Å; E1392-K1394 PolarHBondContact O-N 2.9Å; E1392-K1395 PolarHBondContact O-N 2.78Å; E1392-R1396 VanDerWaalsContact O-CG 3.31Å; E1392-R1396 WeakPolarHBondContact O-CG 3.34Å; E1392-R1396 PolarHBondContact O-N 2.62Å; E1392-R1396 IonicContact OE2-CZ 2.75Å; E1392-R1396 IonicContact OE2-NE 2.79Å; E1392-R1396 IonicContact OE2-NH2 3.45Å; E1392-R1396 PolarHBondContact OE2-NH2 2.88Å |
| 1393 | G | 73.4 | Confident | 70.8 | Confident | 23 Ų | 23 | 106.5 Ų | 106.5 | 24% | 0.237 | 53% | 0.534 | C | S | . | . | H | α-helix | trans | -56.9 | -46.5 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1389 L1390 E1391 R1396 F1397 | A1389-G1393 PolarHBondContact O-N 2.9Å; A1389-G1393 VanDerWaalsContact O-N 3.11Å; L1390-G1393 PolarHBondContact O-N 2.99Å; E1391-G1393 VanDerWaalsContact C-N 3.34Å; G1393-R1396 PolarHBondContact O-N 2.86Å; G1393-F1397 WeakPolarHBondContact O-CD2 3.44Å; G1393-F1397 PolarHBondContact O-N 3.37Å |
| 1394 | K | 75.3 | Confident | 72.1 | Confident | 145 Ų | 145 | 104.6 Ų | 104.6 | 63% | 0.63 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -61.5 | -47 | 175.7 | -173.3 | -175.4 | 174.6 | -170.1 | 0 | 111.8 | L1390 E1391 E1392 R1396 F1397 Q1398 | L1390-K1394 WeakPolarHBondContact O-CB 3.19Å; L1390-K1394 PolarHBondContact O-N 2.81Å; E1391-K1394 PolarHBondContact O-N 2.86Å; E1392-K1394 VanDerWaalsContact C-N 3.34Å; E1392-K1394 PolarHBondContact O-N 2.9Å; K1394-R1396 VanDerWaalsContact C-N 3.33Å; K1394-R1396 PolarHBondContact O-N 2.64Å; K1394-F1397 PolarHBondContact O-N 2.74Å; K1394-Q1398 VanDerWaalsContact O-CB 3.27Å; K1394-Q1398 WeakPolarHBondContact O-CB 3.22Å; K1394-Q1398 PolarHBondContact O-N 3.25Å |
| 1395 | K | 74.8 | Confident | 73.5 | Confident | 149 Ų | 149 | 105.6 Ų | 105.6 | 65% | 0.648 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.6 | -36.3 | 178.2 | -75.3 | 176.5 | -179.1 | 169.2 | 0 | 112.3 | E1391 E1392 K1399 | E1391-K1395 WeakPolarHBondContact O-CB 3.37Å; E1391-K1395 WeakPolarHBondContact O-CG 3.49Å; E1391-K1395 PolarHBondContact O-N 2.88Å; E1392-K1395 PolarHBondContact O-N 2.78Å; K1395-K1399 VanDerWaalsContact O-CB 3.29Å; K1395-K1399 WeakPolarHBondContact O-CB 3.31Å; K1395-K1399 PolarHBondContact O-N 3.45Å |
| 1396 | R | 76.8 | Confident | 74.6 | Confident | 161 Ų | 161 | 106.7 Ų | 106.7 | 61% | 0.608 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -64.9 | -53.1 | 173.5 | -70.5 | 176.2 | -163.8 | -148.8 | 7.9 | 111.3 | E1392 G1393 K1394 Q1398 K1399 E1400 | E1392-R1396 VanDerWaalsContact O-CG 3.31Å; E1392-R1396 WeakPolarHBondContact O-CG 3.34Å; E1392-R1396 PolarHBondContact O-N 2.62Å; E1392-R1396 IonicContact OE2-CZ 2.75Å; E1392-R1396 IonicContact OE2-NE 2.79Å; E1392-R1396 IonicContact OE2-NH2 3.45Å; E1392-R1396 PolarHBondContact OE2-NH2 2.88Å; G1393-R1396 PolarHBondContact O-N 2.86Å; K1394-R1396 VanDerWaalsContact C-N 3.33Å; K1394-R1396 PolarHBondContact O-N 2.64Å; R1396-Q1398 VanDerWaalsContact C-N 3.33Å; R1396-Q1398 PolarHBondContact O-N 2.75Å; R1396-K1399 PolarHBondContact O-N 2.75Å; R1396-E1400 WeakPolarHBondContact O-CG 3.44Å; R1396-E1400 PolarHBondContact O-N 2.57Å |
| 1397 | F | 76.2 | Confident | 75.8 | Confident | 138 Ų | 138 | 107.4 Ų | 107.4 | 61% | 0.605 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -63.5 | -37 | 179.3 | -70.5 | -50 | 0 | 0 | 0 | 113.1 | G1393 K1394 E1400 I1401 | G1393-F1397 WeakPolarHBondContact O-CD2 3.44Å; G1393-F1397 PolarHBondContact O-N 3.37Å; K1394-F1397 PolarHBondContact O-N 2.74Å; F1397-E1400 WeakPolarHBondContact CD1-OE2 3.28Å; F1397-E1400 PolarHBondContact O-N 3.08Å; F1397-I1401 VanDerWaalsContact O-CG1 3.3Å; F1397-I1401 WeakPolarHBondContact O-CG1 3.42Å; F1397-I1401 PolarHBondContact O-N 3.03Å |
| 1398 | Q | 78.4 | Confident | 76.9 | Confident | 97 Ų | 97 | 111.9 Ų | 111.9 | 45% | 0.453 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.6 | -172.8 | 168.9 | -23.3 | 0 | 0 | 111.2 | K1394 R1396 I1401 E1402 | K1394-Q1398 VanDerWaalsContact O-CB 3.27Å; K1394-Q1398 WeakPolarHBondContact O-CB 3.22Å; K1394-Q1398 PolarHBondContact O-N 3.25Å; R1396-Q1398 VanDerWaalsContact C-N 3.33Å; R1396-Q1398 PolarHBondContact O-N 2.75Å; Q1398-I1401 PolarHBondContact O-N 2.69Å; Q1398-E1402 WeakPolarHBondContact CG-OE1 3.36Å; Q1398-E1402 PolarHBondContact NE2-OE1 3.18Å; Q1398-E1402 WeakPolarHBondContact O-CG 3.37Å; Q1398-E1402 PolarHBondContact O-N 3.05Å |
| 1399 | K | 80.6 | Confident | 78 | Confident | 139 Ų | 139 | 111.1 Ų | 111.1 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -71.7 | -26.9 | 175.3 | -160.3 | 168.7 | -169.1 | 171.5 | 0 | 113.7 | K1395 R1396 N1403 | K1395-K1399 VanDerWaalsContact O-CB 3.29Å; K1395-K1399 WeakPolarHBondContact O-CB 3.31Å; K1395-K1399 PolarHBondContact O-N 3.45Å; R1396-K1399 PolarHBondContact O-N 2.75Å; K1399-N1403 WeakPolarHBondContact O-CB 3.17Å; K1399-N1403 PolarHBondContact O-N 3.15Å; K1399-N1403 PolarHBondContact O-ND2 2.62Å |
| 1400 | E | 81.4 | Confident | 78.8 | Confident | 106 Ų | 106 | 113.2 Ų | 113.2 | 50% | 0.495 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -70.1 | -40.6 | 168.7 | -75.8 | 179.4 | 166.9 | 0 | 0 | 111.4 | R1396 F1397 N1403 L1404 | R1396-E1400 WeakPolarHBondContact O-CG 3.44Å; R1396-E1400 PolarHBondContact O-N 2.57Å; F1397-E1400 WeakPolarHBondContact CD1-OE2 3.28Å; F1397-E1400 PolarHBondContact O-N 3.08Å; E1400-N1403 PolarHBondContact O-N 2.69Å; E1400-L1404 WeakPolarHBondContact O-CB 3.3Å; E1400-L1404 VanDerWaalsContact O-CG 3.24Å; E1400-L1404 WeakPolarHBondContact O-CG 3.22Å; E1400-L1404 PolarHBondContact O-N 2.69Å |
| 1401 | I | 80.6 | Confident | 79.9 | Confident | 107 Ų | 107 | 114 Ų | 114 | 55% | 0.549 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -64 | -46.2 | 173.6 | -70.9 | 165.3 | 0 | 0 | 0 | 110.6 | F1397 Q1398 N1403 L1404 T1405 | F1397-I1401 VanDerWaalsContact O-CG1 3.3Å; F1397-I1401 WeakPolarHBondContact O-CG1 3.42Å; F1397-I1401 PolarHBondContact O-N 3.03Å; Q1398-I1401 PolarHBondContact O-N 2.69Å; I1401-N1403 PolarHBondContact O-N 3.29Å; I1401-L1404 PolarHBondContact O-N 3.02Å; I1401-T1405 WeakPolarHBondContact O-CB 3.41Å; I1401-T1405 PolarHBondContact O-N 2.89Å; I1401-T1405 PolarHBondContact O-OG1 3.46Å; I1401-T1405 VanDerWaalsContact O-OG1 3.07Å |
| 1402 | E | 82.4 | Confident | 81 | Confident | 102 Ų | 102 | 110.8 Ų | 110.8 | 48% | 0.477 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.3 | -47 | 175.5 | -73.1 | 160.1 | -171.3 | 0 | 0 | 111.5 | Q1398 L1404 T1405 Q1406 | Q1398-E1402 WeakPolarHBondContact CG-OE1 3.36Å; Q1398-E1402 PolarHBondContact NE2-OE1 3.18Å; Q1398-E1402 WeakPolarHBondContact O-CG 3.37Å; Q1398-E1402 PolarHBondContact O-N 3.05Å; E1402-L1404 PolarHBondContact O-N 2.74Å; E1402-T1405 PolarHBondContact O-N 2.59Å; E1402-Q1406 WeakPolarHBondContact O-CB 3.32Å; E1402-Q1406 PolarHBondContact O-N 3.49Å |
| 1403 | N | 83.7 | Confident | 81.8 | Confident | 78 Ų | 78 | 108.2 Ų | 108.2 | 42% | 0.417 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63 | -36.3 | 174.7 | -81.3 | -51.2 | 0 | 0 | 0 | 113.3 | K1399 E1400 I1401 Q1407 | K1399-N1403 WeakPolarHBondContact O-CB 3.17Å; K1399-N1403 PolarHBondContact O-N 3.15Å; K1399-N1403 PolarHBondContact O-ND2 2.62Å; E1400-N1403 PolarHBondContact O-N 2.69Å; I1401-N1403 PolarHBondContact O-N 3.29Å; N1403-Q1407 WeakPolarHBondContact O-CB 3.36Å; N1403-Q1407 VanDerWaalsContact O-CG 3.29Å; N1403-Q1407 WeakPolarHBondContact O-CG 3.31Å; N1403-Q1407 PolarHBondContact O-N 2.72Å |
| 1404 | L | 83.3 | Confident | 82.3 | Confident | 111 Ų | 111 | 109.6 Ų | 109.6 | 58% | 0.581 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -72.5 | -38.4 | 177.6 | -77.5 | 168.3 | 0 | 0 | 0 | 111.8 | E1400 I1401 E1402 Q1407 Y1408 | E1400-L1404 WeakPolarHBondContact O-CB 3.3Å; E1400-L1404 VanDerWaalsContact O-CG 3.24Å; E1400-L1404 WeakPolarHBondContact O-CG 3.22Å; E1400-L1404 PolarHBondContact O-N 2.69Å; I1401-L1404 PolarHBondContact O-N 3.02Å; E1402-L1404 PolarHBondContact O-N 2.74Å; L1404-Q1407 PolarHBondContact O-N 2.69Å; L1404-Y1408 WeakPolarHBondContact O-CB 3.46Å; L1404-Y1408 PolarHBondContact O-N 3.07Å |
| 1405 | T | 86.1 | Confident | 82.8 | Confident | 67 Ų | 67 | 110.2 Ų | 110.2 | 41% | 0.411 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.9 | -47.5 | 172.1 | -61.4 | 0 | 0 | 0 | 0 | 110.4 | I1401 E1402 Q1407 Y1408 E1409 | I1401-T1405 WeakPolarHBondContact O-CB 3.41Å; I1401-T1405 PolarHBondContact O-N 2.89Å; I1401-T1405 PolarHBondContact O-OG1 3.46Å; I1401-T1405 VanDerWaalsContact O-OG1 3.07Å; E1402-T1405 PolarHBondContact O-N 2.59Å; T1405-Q1407 PolarHBondContact O-N 3.33Å; T1405-Y1408 CarbonylContact O-C 3.57Å; T1405-Y1408 WeakPolarHBondContact O-CA 3.48Å; T1405-Y1408 WeakPolarHBondContact O-CB 3.42Å; T1405-Y1408 PolarHBondContact O-N 3.44Å; T1405-E1409 HydrophobicContact CG2-CG 4.44Å; T1405-E1409 WeakPolarHBondContact O-CG 3.41Å; T1405-E1409 PolarHBondContact O-N 3.41Å |
| 1406 | Q | 87 | Confident | 83.3 | Confident | 104 Ų | 104 | 106.3 Ų | 106.3 | 49% | 0.486 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -43.2 | 176.5 | -174.1 | 178.2 | -14 | 0 | 0 | 111.7 | E1402 Y1408 E1409 E1410 | E1402-Q1406 WeakPolarHBondContact O-CB 3.32Å; E1402-Q1406 PolarHBondContact O-N 3.49Å; Q1406-Y1408 VanDerWaalsContact C-N 3.26Å; Q1406-Y1408 PolarHBondContact O-N 3.44Å; Q1406-E1409 PolarHBondContact O-N 2.87Å; Q1406-E1410 HydrophobicContact CG-CG 4.42Å; Q1406-E1410 PolarHBondContact NE2-OE1 2.64Å; Q1406-E1410 WeakPolarHBondContact O-CB 3.38Å; Q1406-E1410 WeakPolarHBondContact O-CG 3.35Å; Q1406-E1410 PolarHBondContact O-N 2.93Å |
| 1407 | Q | 84.7 | Confident | 83.5 | Confident | 97 Ų | 97 | 105.7 Ų | 105.7 | 45% | 0.453 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.7 | -26.9 | 174 | -77.1 | 177.2 | 49.2 | 0 | 0 | 113.6 | N1403 L1404 T1405 K1411 | N1403-Q1407 WeakPolarHBondContact O-CB 3.36Å; N1403-Q1407 VanDerWaalsContact O-CG 3.29Å; N1403-Q1407 WeakPolarHBondContact O-CG 3.31Å; N1403-Q1407 PolarHBondContact O-N 2.72Å; L1404-Q1407 PolarHBondContact O-N 2.69Å; T1405-Q1407 PolarHBondContact O-N 3.33Å; Q1407-K1411 WeakPolarHBondContact O-CB 3.21Å; Q1407-K1411 WeakPolarHBondContact O-CD 3.03Å; Q1407-K1411 VanDerWaalsContact O-CG 3.26Å; Q1407-K1411 WeakPolarHBondContact O-CG 3.35Å; Q1407-K1411 PolarHBondContact O-N 3.31Å |
| 1408 | Y | 86 | Confident | 83.8 | Confident | 173 Ų | 173 | 105.1 Ų | 105.1 | 68% | 0.678 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -74.5 | -45.2 | 173.1 | 176 | -97.6 | 0 | 0 | 0 | 111 | L1404 T1405 Q1406 K1411 A1412 | L1404-Y1408 WeakPolarHBondContact O-CB 3.46Å; L1404-Y1408 PolarHBondContact O-N 3.07Å; T1405-Y1408 CarbonylContact O-C 3.57Å; T1405-Y1408 WeakPolarHBondContact O-CA 3.48Å; T1405-Y1408 WeakPolarHBondContact O-CB 3.42Å; T1405-Y1408 PolarHBondContact O-N 3.44Å; Q1406-Y1408 VanDerWaalsContact C-N 3.26Å; Q1406-Y1408 PolarHBondContact O-N 3.44Å; Y1408-K1411 PolarHBondContact O-N 2.86Å; Y1408-A1412 WeakPolarHBondContact O-CB 3.29Å; Y1408-A1412 PolarHBondContact O-N 3.36Å |
| 1409 | E | 85.6 | Confident | 84 | Confident | 120 Ų | 120 | 105 Ų | 105 | 56% | 0.561 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -64 | -43.8 | 176 | -71.9 | 178.2 | 173.3 | 0 | 0 | 112 | T1405 Q1406 K1411 A1412 A1413 | T1405-E1409 HydrophobicContact CG2-CG 4.44Å; T1405-E1409 WeakPolarHBondContact O-CG 3.41Å; T1405-E1409 PolarHBondContact O-N 3.41Å; Q1406-E1409 PolarHBondContact O-N 2.87Å; E1409-K1411 VanDerWaalsContact C-N 3.3Å; E1409-K1411 PolarHBondContact O-N 3.23Å; E1409-A1412 PolarHBondContact O-N 3.29Å; E1409-A1413 VanDerWaalsContact O-CB 3.25Å; E1409-A1413 WeakPolarHBondContact O-CB 3.41Å; E1409-A1413 PolarHBondContact O-N 3.06Å |
| 1410 | E | 83.5 | Confident | 84 | Confident | 110 Ų | 110 | 104.3 Ų | 104.3 | 51% | 0.514 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -59.1 | -40 | 173.1 | -77 | 176.6 | -171.2 | 0 | 0 | 111.7 | Q1406 A1414 | Q1406-E1410 HydrophobicContact CG-CG 4.42Å; Q1406-E1410 PolarHBondContact NE2-OE1 2.64Å; Q1406-E1410 WeakPolarHBondContact O-CB 3.38Å; Q1406-E1410 WeakPolarHBondContact O-CG 3.35Å; Q1406-E1410 PolarHBondContact O-N 2.93Å; E1410-A1414 WeakPolarHBondContact O-CB 3.37Å; E1410-A1414 PolarHBondContact O-N 3.1Å |
| 1411 | K | 85.1 | Confident | 83.8 | Confident | 146 Ų | 146 | 102.6 Ų | 102.6 | 64% | 0.635 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.4 | -36.7 | 175.9 | -77.8 | 174.3 | -178.3 | 168.1 | 0 | 113 | Q1407 Y1408 E1409 A1414 Y1415 | Q1407-K1411 WeakPolarHBondContact O-CB 3.21Å; Q1407-K1411 WeakPolarHBondContact O-CD 3.03Å; Q1407-K1411 VanDerWaalsContact O-CG 3.26Å; Q1407-K1411 WeakPolarHBondContact O-CG 3.35Å; Q1407-K1411 PolarHBondContact O-N 3.31Å; Y1408-K1411 PolarHBondContact O-N 2.86Å; E1409-K1411 VanDerWaalsContact C-N 3.3Å; E1409-K1411 PolarHBondContact O-N 3.23Å; K1411-A1414 PolarHBondContact O-N 2.89Å; K1411-Y1415 WeakPolarHBondContact O-CB 3.38Å; K1411-Y1415 PolarHBondContact O-N 3.27Å |
| 1412 | A | 87.6 | Confident | 83.8 | Confident | 44 Ų | 44 | 101.8 Ų | 101.8 | 36% | 0.364 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -45.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y1408 E1409 Y1415 D1416 | Y1408-A1412 WeakPolarHBondContact O-CB 3.29Å; Y1408-A1412 PolarHBondContact O-N 3.36Å; E1409-A1412 PolarHBondContact O-N 3.29Å; A1412-Y1415 PolarHBondContact O-N 2.95Å; A1412-D1416 WeakPolarHBondContact O-CB 3.49Å; A1412-D1416 PolarHBondContact O-N 3.17Å |
| 1413 | A | 85.2 | Confident | 83.7 | Confident | 56 Ų | 56 | 100.7 Ų | 100.7 | 46% | 0.463 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.8 | -37 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1409 K1417 | E1409-A1413 VanDerWaalsContact O-CB 3.25Å; E1409-A1413 WeakPolarHBondContact O-CB 3.41Å; E1409-A1413 PolarHBondContact O-N 3.06Å; A1413-K1417 WeakPolarHBondContact O-CB 3.4Å; A1413-K1417 PolarHBondContact O-N 3.44Å |
| 1414 | A | 84.6 | Confident | 83.4 | Confident | 51 Ų | 51 | 104.4 Ų | 104.4 | 42% | 0.421 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -39 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1410 K1411 L1418 | E1410-A1414 WeakPolarHBondContact O-CB 3.37Å; E1410-A1414 PolarHBondContact O-N 3.1Å; K1411-A1414 PolarHBondContact O-N 2.89Å; A1414-L1418 WeakPolarHBondContact O-CB 3.49Å; A1414-L1418 PolarHBondContact O-N 2.8Å |
| 1415 | Y | 85 | Confident | 82.9 | Confident | 159 Ų | 159 | 103.5 Ų | 103.5 | 62% | 0.624 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -68 | -51.3 | 176.2 | -173.7 | -88.3 | 0 | 0 | 0 | 111.7 | K1411 A1412 K1417 L1418 E1419 | K1411-Y1415 WeakPolarHBondContact O-CB 3.38Å; K1411-Y1415 PolarHBondContact O-N 3.27Å; A1412-Y1415 PolarHBondContact O-N 2.95Å; Y1415-K1417 VanDerWaalsContact C-N 3.28Å; Y1415-K1417 PolarHBondContact O-N 3.47Å; Y1415-L1418 CarbonylContact O-C 3.47Å; Y1415-L1418 WeakPolarHBondContact O-CA 3.42Å; Y1415-L1418 WeakPolarHBondContact O-CB 3.33Å; Y1415-L1418 PolarHBondContact O-N 3.23Å; Y1415-E1419 WeakPolarHBondContact CE1-OE2 3.44Å; Y1415-E1419 WeakPolarHBondContact O-CB 3.46Å; Y1415-E1419 PolarHBondContact O-N 3.44Å |
| 1416 | D | 84.7 | Confident | 82.4 | Confident | 67 Ų | 67 | 101.8 Ų | 101.8 | 36% | 0.358 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -57.3 | -39.5 | 174.7 | 168.3 | 67.3 | 0 | 0 | 0 | 111.8 | A1412 E1419 K1420 | A1412-D1416 WeakPolarHBondContact O-CB 3.49Å; A1412-D1416 PolarHBondContact O-N 3.17Å; D1416-E1419 PolarHBondContact O-N 3.29Å; D1416-K1420 VanDerWaalsContact O-CB 3.22Å; D1416-K1420 WeakPolarHBondContact O-CB 3.27Å; D1416-K1420 VanDerWaalsContact O-CG 3.25Å; D1416-K1420 WeakPolarHBondContact O-CG 3.3Å; D1416-K1420 PolarHBondContact O-N 3.48Å; D1416-K1420 WeakPolarHBondContact OD1-CD 3.46Å; D1416-K1420 WeakPolarHBondContact OD1-CE 3.18Å; D1416-K1420 IonicContact OD1-NZ 2.63Å; D1416-K1420 PolarHBondContact OD1-NZ 3.02Å; D1416-K1420 IonicContact OD2-NZ 3.91Å; D1416-K1420 PolarHBondContact OD2-NZ 2.79Å |
| 1417 | K | 82.1 | Confident | 82 | Confident | 148 Ų | 148 | 102.7 Ų | 102.7 | 64% | 0.643 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -66.2 | -37.8 | 172.7 | -174 | 173.7 | -176.8 | 176.1 | 0 | 112.5 | A1413 Y1415 T1421 | A1413-K1417 WeakPolarHBondContact O-CB 3.4Å; A1413-K1417 PolarHBondContact O-N 3.44Å; Y1415-K1417 VanDerWaalsContact C-N 3.28Å; Y1415-K1417 PolarHBondContact O-N 3.47Å; K1417-T1421 VanDerWaalsContact O-CB 3.3Å; K1417-T1421 WeakPolarHBondContact O-CB 3.31Å; K1417-T1421 PolarHBondContact O-N 2.84Å; K1417-T1421 PolarHBondContact O-OG1 3Å |
| 1418 | L | 81.8 | Confident | 81.3 | Confident | 125 Ų | 125 | 101.9 Ų | 101.9 | 65% | 0.654 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.3 | -44.5 | 174.7 | -109.7 | 155.6 | 0 | 0 | 0 | 111.7 | A1414 Y1415 T1421 K1422 | A1414-L1418 WeakPolarHBondContact O-CB 3.49Å; A1414-L1418 PolarHBondContact O-N 2.8Å; Y1415-L1418 CarbonylContact O-C 3.47Å; Y1415-L1418 WeakPolarHBondContact O-CA 3.42Å; Y1415-L1418 WeakPolarHBondContact O-CB 3.33Å; Y1415-L1418 PolarHBondContact O-N 3.23Å; L1418-T1421 PolarHBondContact O-N 2.84Å; L1418-K1422 PolarHBondContact O-N 2.79Å |
| 1419 | E | 82.1 | Confident | 80.6 | Confident | 96 Ų | 96 | 96.5 Ų | 96.5 | 45% | 0.449 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.8 | -45.3 | 177.6 | -175.5 | 168.3 | -163.2 | 0 | 0 | 111.3 | Y1415 D1416 T1421 K1422 N1423 | Y1415-E1419 WeakPolarHBondContact CE1-OE2 3.44Å; Y1415-E1419 WeakPolarHBondContact O-CB 3.46Å; Y1415-E1419 PolarHBondContact O-N 3.44Å; D1416-E1419 PolarHBondContact O-N 3.29Å; E1419-T1421 VanDerWaalsContact C-N 3.31Å; E1419-T1421 PolarHBondContact O-N 2.58Å; E1419-K1422 PolarHBondContact O-N 2.87Å; E1419-N1423 WeakPolarHBondContact O-CB 3.06Å; E1419-N1423 PolarHBondContact O-N 2.78Å; E1419-N1423 PolarHBondContact O-ND2 2.71Å |
| 1420 | K | 82.1 | Confident | 80.2 | Confident | 124 Ų | 124 | 94.1 Ų | 94.1 | 54% | 0.539 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -59.7 | -39 | 170.3 | -76.2 | 167 | 175.8 | 157.1 | 0 | 112.3 | D1416 R1424 | D1416-K1420 VanDerWaalsContact O-CB 3.22Å; D1416-K1420 WeakPolarHBondContact O-CB 3.27Å; D1416-K1420 VanDerWaalsContact O-CG 3.25Å; D1416-K1420 WeakPolarHBondContact O-CG 3.3Å; D1416-K1420 PolarHBondContact O-N 3.48Å; D1416-K1420 WeakPolarHBondContact OD1-CD 3.46Å; D1416-K1420 WeakPolarHBondContact OD1-CE 3.18Å; D1416-K1420 IonicContact OD1-NZ 2.63Å; D1416-K1420 PolarHBondContact OD1-NZ 3.02Å; D1416-K1420 IonicContact OD2-NZ 3.91Å; D1416-K1420 PolarHBondContact OD2-NZ 2.79Å; K1420-R1424 VanDerWaalsContact O-CB 3.3Å; K1420-R1424 WeakPolarHBondContact O-CB 3.3Å; K1420-R1424 PolarHBondContact O-N 3.11Å |
| 1421 | T | 76.9 | Confident | 79.8 | Confident | 70 Ų | 70 | 94.1 Ų | 94.1 | 43% | 0.429 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 176.4 | -57.1 | 0 | 0 | 0 | 0 | 111.3 | K1417 L1418 E1419 R1424 L1425 | K1417-T1421 VanDerWaalsContact O-CB 3.3Å; K1417-T1421 WeakPolarHBondContact O-CB 3.31Å; K1417-T1421 PolarHBondContact O-N 2.84Å; K1417-T1421 PolarHBondContact O-OG1 3Å; L1418-T1421 PolarHBondContact O-N 2.84Å; E1419-T1421 VanDerWaalsContact C-N 3.31Å; E1419-T1421 PolarHBondContact O-N 2.58Å; T1421-R1424 PolarHBondContact O-N 2.78Å; T1421-L1425 HydrophobicContact CG2-CD1 4.04Å; T1421-L1425 WeakPolarHBondContact O-CB 3.11Å; T1421-L1425 VanDerWaalsContact O-CG 3.31Å; T1421-L1425 WeakPolarHBondContact O-CG 3.37Å; T1421-L1425 PolarHBondContact O-N 3.21Å |
| 1422 | K | 80 | Confident | 78.9 | Confident | 89 Ų | 89 | 90.6 Ų | 90.6 | 39% | 0.387 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -59.8 | -49.4 | 173.8 | -174.1 | -168.3 | 174.2 | -168.6 | 0 | 110.9 | D56 L1418 E1419 R1424 L1425 Q1426 | D56-K1422 IonicContact OD2-NZ 2.79Å; D56-K1422 PolarHBondContact OD2-NZ 2.93Å; L1418-K1422 PolarHBondContact O-N 2.79Å; E1419-K1422 PolarHBondContact O-N 2.87Å; K1422-R1424 VanDerWaalsContact C-N 3.32Å; K1422-R1424 PolarHBondContact O-N 2.78Å; K1422-L1425 PolarHBondContact O-N 3.41Å; K1422-Q1426 WeakPolarHBondContact O-CB 3.13Å; K1422-Q1426 PolarHBondContact O-N 3.03Å |
| 1423 | N | 79.8 | Confident | 78.3 | Confident | 79 Ų | 79 | 90.6 Ų | 90.6 | 42% | 0.422 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -64 | -36.7 | -178.8 | -68.5 | -18.3 | 0 | 0 | 0 | 111.8 | E1419 Q1427 | E1419-N1423 WeakPolarHBondContact O-CB 3.06Å; E1419-N1423 PolarHBondContact O-N 2.78Å; E1419-N1423 PolarHBondContact O-ND2 2.71Å; N1423-Q1427 WeakPolarHBondContact O-CB 3.38Å; N1423-Q1427 VanDerWaalsContact O-CG 3.28Å; N1423-Q1427 WeakPolarHBondContact O-CG 3.25Å; N1423-Q1427 PolarHBondContact O-N 3.45Å |
| 1424 | R | 77.2 | Confident | 77.9 | Confident | 156 Ų | 156 | 91.8 Ų | 91.8 | 59% | 0.589 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -67 | -43 | 173.9 | -154.2 | -165.7 | 90.6 | 172.7 | 13.5 | 112 | K1420 T1421 K1422 Q1427 E1428 | K1420-R1424 VanDerWaalsContact O-CB 3.3Å; K1420-R1424 WeakPolarHBondContact O-CB 3.3Å; K1420-R1424 PolarHBondContact O-N 3.11Å; T1421-R1424 PolarHBondContact O-N 2.78Å; K1422-R1424 VanDerWaalsContact C-N 3.32Å; K1422-R1424 PolarHBondContact O-N 2.78Å; R1424-Q1427 PolarHBondContact O-N 2.86Å; R1424-E1428 IonicContact CZ-OE1 3.65Å; R1424-E1428 IonicContact NE-OE1 3.42Å; R1424-E1428 PolarHBondContact NE-OE1 2.92Å; R1424-E1428 IonicContact NH2-OE1 2.71Å; R1424-E1428 PolarHBondContact NH2-OE1 3.47Å; R1424-E1428 IonicContact NH2-OE2 3.55Å; R1424-E1428 WeakPolarHBondContact O-CB 3.27Å; R1424-E1428 WeakPolarHBondContact O-CG 3.03Å; R1424-E1428 PolarHBondContact O-N 2.87Å |
| 1425 | L | 73.1 | Confident | 77.3 | Confident | 92 Ų | 92 | 93.2 Ų | 93.2 | 48% | 0.482 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -66.8 | -37.9 | 175.9 | -71 | 170.3 | 0 | 0 | 0 | 112.1 | T1421 K1422 L1429 | T1421-L1425 HydrophobicContact CG2-CD1 4.04Å; T1421-L1425 WeakPolarHBondContact O-CB 3.11Å; T1421-L1425 VanDerWaalsContact O-CG 3.31Å; T1421-L1425 WeakPolarHBondContact O-CG 3.37Å; T1421-L1425 PolarHBondContact O-N 3.21Å; K1422-L1425 PolarHBondContact O-N 3.41Å; L1425-L1429 VanDerWaalsContact O-CB 3.24Å; L1425-L1429 WeakPolarHBondContact O-CB 3.47Å; L1425-L1429 PolarHBondContact O-N 3.11Å |
| 1426 | Q | 77.1 | Confident | 76.4 | Confident | 31 Ų | 31 | 87 Ų | 87 | 15% | 0.145 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -64.8 | -42.1 | 173.3 | -174.9 | 72.2 | 86.8 | 0 | 0 | 111 | K1422 L1429 D1430 | K1422-Q1426 WeakPolarHBondContact O-CB 3.13Å; K1422-Q1426 PolarHBondContact O-N 3.03Å; Q1426-L1429 PolarHBondContact O-N 2.89Å; Q1426-D1430 PolarHBondContact NE2-OD1 2.86Å; Q1426-D1430 VanDerWaalsContact O-CB 3.25Å; Q1426-D1430 WeakPolarHBondContact O-CB 3.49Å; Q1426-D1430 VanDerWaalsContact O-CG 3.27Å; Q1426-D1430 PolarHBondContact O-N 3.29Å |
| 1427 | Q | 77.2 | Confident | 75.9 | Confident | 124 Ų | 124 | 86.4 Ų | 86.4 | 58% | 0.579 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -63.8 | -49.4 | 174.5 | -77.8 | 174.2 | -24.5 | 0 | 0 | 111.7 | N1423 R1424 L1429 D1430 D1431 | N1423-Q1427 WeakPolarHBondContact O-CB 3.38Å; N1423-Q1427 VanDerWaalsContact O-CG 3.28Å; N1423-Q1427 WeakPolarHBondContact O-CG 3.25Å; N1423-Q1427 PolarHBondContact O-N 3.45Å; R1424-Q1427 PolarHBondContact O-N 2.86Å; Q1427-L1429 VanDerWaalsContact C-N 3.27Å; Q1427-L1429 PolarHBondContact O-N 2.96Å; Q1427-D1430 PolarHBondContact O-N 3.33Å; Q1427-D1431 VanDerWaalsContact O-CB 3.3Å; Q1427-D1431 WeakPolarHBondContact O-CB 3.27Å; Q1427-D1431 PolarHBondContact O-N 2.82Å |
| 1428 | E | 70.4 | Confident | 75.6 | Confident | 79 Ų | 79 | 83.7 Ų | 83.7 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -55.6 | -42.1 | 174.3 | -76.5 | 171.3 | -147.9 | 0 | 0 | 111.9 | R1424 L1432 | R1424-E1428 IonicContact CZ-OE1 3.65Å; R1424-E1428 IonicContact NE-OE1 3.42Å; R1424-E1428 PolarHBondContact NE-OE1 2.92Å; R1424-E1428 IonicContact NH2-OE1 2.71Å; R1424-E1428 PolarHBondContact NH2-OE1 3.47Å; R1424-E1428 IonicContact NH2-OE2 3.55Å; R1424-E1428 WeakPolarHBondContact O-CB 3.27Å; R1424-E1428 WeakPolarHBondContact O-CG 3.03Å; R1424-E1428 PolarHBondContact O-N 2.87Å; E1428-L1432 WeakPolarHBondContact O-CB 3.49Å; E1428-L1432 WeakPolarHBondContact O-CD1 3.48Å; E1428-L1432 WeakPolarHBondContact O-CG 3.45Å; E1428-L1432 PolarHBondContact O-N 3.43Å |
| 1429 | L | 70.7 | Confident | 74.9 | Confident | 61 Ų | 61 | 80.8 Ų | 80.8 | 32% | 0.319 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -70.1 | -43.6 | 178.1 | -179.6 | 60.3 | 0 | 0 | 0 | 112.6 | D74 L1425 Q1426 Q1427 V1433 | D74-L1429 HydrophobicContact CB-CD2 4.18Å; D74-L1429 WeakPolarHBondContact OD1-CD2 2.98Å; L1425-L1429 VanDerWaalsContact O-CB 3.24Å; L1425-L1429 WeakPolarHBondContact O-CB 3.47Å; L1425-L1429 PolarHBondContact O-N 3.11Å; Q1426-L1429 PolarHBondContact O-N 2.89Å; Q1427-L1429 VanDerWaalsContact C-N 3.27Å; Q1427-L1429 PolarHBondContact O-N 2.96Å; L1429-V1433 HydrophobicContact CD1-CG2 4.43Å; L1429-V1433 VanDerWaalsContact O-CB 3.28Å; L1429-V1433 WeakPolarHBondContact O-CB 3.43Å; L1429-V1433 VanDerWaalsContact O-CG2 3.3Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.33Å; L1429-V1433 PolarHBondContact O-N 3.16Å |
| 1430 | D | 77.7 | Confident | 74.3 | Confident | 69 Ų | 69 | 78.6 Ų | 78.6 | 37% | 0.369 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -69.5 | -42 | -179.3 | -75.9 | -15.7 | 0 | 0 | 0 | 110.9 | Q1426 Q1427 V1433 V1434 | Q1426-D1430 PolarHBondContact NE2-OD1 2.86Å; Q1426-D1430 VanDerWaalsContact O-CB 3.25Å; Q1426-D1430 WeakPolarHBondContact O-CB 3.49Å; Q1426-D1430 VanDerWaalsContact O-CG 3.27Å; Q1426-D1430 PolarHBondContact O-N 3.29Å; Q1427-D1430 PolarHBondContact O-N 3.33Å; D1430-V1433 CarbonylContact O-C 3.39Å; D1430-V1433 WeakPolarHBondContact O-CB 3.4Å; D1430-V1433 PolarHBondContact O-N 2.9Å; D1430-V1433 VanDerWaalsContact O-N 3.16Å; D1430-V1434 WeakPolarHBondContact O-CB 3.29Å; D1430-V1434 VanDerWaalsContact O-CG2 3.3Å; D1430-V1434 WeakPolarHBondContact O-CG2 3.24Å; D1430-V1434 PolarHBondContact O-N 2.85Å |
| 1431 | D | 74.6 | Confident | 73.9 | Confident | 111 Ų | 111 | 78.7 Ų | 78.7 | 59% | 0.594 | 39% | 0.393 | S | S | * | . | H | α-helix | trans | -61.3 | -48.5 | 172.9 | -74 | -22.2 | 0 | 0 | 0 | 110.8 | Q1427 V1433 V1434 D1435 | Q1427-D1431 VanDerWaalsContact O-CB 3.3Å; Q1427-D1431 WeakPolarHBondContact O-CB 3.27Å; Q1427-D1431 PolarHBondContact O-N 2.82Å; D1431-V1433 PolarHBondContact O-N 3.02Å; D1431-V1434 PolarHBondContact O-N 3.4Å; D1431-D1435 WeakPolarHBondContact O-CB 3.46Å; D1431-D1435 PolarHBondContact O-N 2.58Å |
| 1432 | L | 67.1 | Low | 73.7 | Confident | 71 Ų | 71 | 77.9 Ų | 77.9 | 37% | 0.372 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.3 | -34.2 | 173.9 | -77.1 | 170.4 | 0 | 0 | 0 | 112.3 | E1428 L1436 | E1428-L1432 WeakPolarHBondContact O-CB 3.49Å; E1428-L1432 WeakPolarHBondContact O-CD1 3.48Å; E1428-L1432 WeakPolarHBondContact O-CG 3.45Å; E1428-L1432 PolarHBondContact O-N 3.43Å; L1432-L1436 WeakPolarHBondContact O-CB 3.35Å; L1432-L1436 PolarHBondContact O-N 3.12Å; L1432-L1436 VanDerWaalsContact O-N 3.14Å |
| 1433 | V | 73.9 | Confident | 73.3 | Confident | 45 Ų | 45 | 77.4 Ų | 77.4 | 27% | 0.273 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -72.4 | -42.9 | 176.6 | 152.9 | 0 | 0 | 0 | 0 | 111.8 | K78 L1429 D1430 D1431 L1436 D1437 | K78-V1433 VanDerWaalsContact NZ-CG1 3.34Å; L1429-V1433 HydrophobicContact CD1-CG2 4.43Å; L1429-V1433 VanDerWaalsContact O-CB 3.28Å; L1429-V1433 WeakPolarHBondContact O-CB 3.43Å; L1429-V1433 VanDerWaalsContact O-CG2 3.3Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.33Å; L1429-V1433 PolarHBondContact O-N 3.16Å; D1430-V1433 CarbonylContact O-C 3.39Å; D1430-V1433 WeakPolarHBondContact O-CB 3.4Å; D1430-V1433 PolarHBondContact O-N 2.9Å; D1430-V1433 VanDerWaalsContact O-N 3.16Å; D1431-V1433 PolarHBondContact O-N 3.02Å; V1433-L1436 PolarHBondContact O-N 2.84Å; V1433-D1437 PolarHBondContact O-N 3.07Å |
| 1434 | V | 77.7 | Confident | 73 | Confident | 80 Ų | 80 | 75.7 Ų | 75.7 | 49% | 0.485 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -65.5 | -50 | 179 | 166.4 | 0 | 0 | 0 | 0 | 110.3 | D1430 D1431 L1436 D1437 N1438 | D1430-V1434 WeakPolarHBondContact O-CB 3.29Å; D1430-V1434 VanDerWaalsContact O-CG2 3.3Å; D1430-V1434 WeakPolarHBondContact O-CG2 3.24Å; D1430-V1434 PolarHBondContact O-N 2.85Å; D1431-V1434 PolarHBondContact O-N 3.4Å; V1434-L1436 VanDerWaalsContact C-N 3.32Å; V1434-L1436 PolarHBondContact O-N 2.69Å; V1434-D1437 PolarHBondContact O-N 2.79Å; V1434-N1438 WeakPolarHBondContact CG1-ND2 3Å; V1434-N1438 VanDerWaalsContact O-CB 3.25Å; V1434-N1438 WeakPolarHBondContact O-CB 3.14Å; V1434-N1438 PolarHBondContact O-N 2.98Å; V1434-N1438 PolarHBondContact O-ND2 2.92Å |
| 1435 | D | 71.1 | Confident | 73 | Confident | 81 Ų | 81 | 72 Ų | 72 | 43% | 0.433 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -59.3 | -43.4 | 175.8 | -100.8 | 8.2 | 0 | 0 | 0 | 111.9 | D1431 N1438 Q1439 | D1431-D1435 WeakPolarHBondContact O-CB 3.46Å; D1431-D1435 PolarHBondContact O-N 2.58Å; D1435-N1438 PolarHBondContact O-N 3.39Å; D1435-Q1439 WeakPolarHBondContact O-CB 3.47Å; D1435-Q1439 VanDerWaalsContact O-CG 3.24Å; D1435-Q1439 WeakPolarHBondContact O-CG 3.42Å; D1435-Q1439 PolarHBondContact O-N 3.36Å |
| 1436 | L | 67.3 | Low | 72.9 | Confident | 30 Ų | 30 | 68.9 Ų | 68.9 | 16% | 0.157 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -66.1 | -39.8 | -178.9 | -172.7 | 67.8 | 0 | 0 | 0 | 112.3 | T94 L1432 V1433 V1434 R1440 | T94-L1436 WeakPolarHBondContact O-CD1 3.45Å; L1432-L1436 WeakPolarHBondContact O-CB 3.35Å; L1432-L1436 PolarHBondContact O-N 3.12Å; L1432-L1436 VanDerWaalsContact O-N 3.14Å; V1433-L1436 PolarHBondContact O-N 2.84Å; V1434-L1436 VanDerWaalsContact C-N 3.32Å; V1434-L1436 PolarHBondContact O-N 2.69Å; L1436-R1440 VanDerWaalsContact CD2-NH2 3.31Å; L1436-R1440 VanDerWaalsContact O-CD 3.32Å; L1436-R1440 WeakPolarHBondContact O-CD 3.14Å; L1436-R1440 WeakPolarHBondContact O-CG 3.15Å; L1436-R1440 PolarHBondContact O-N 3.49Å; L1436-R1440 VanDerWaalsContact O-N 3.11Å |
| 1437 | D | 73.3 | Confident | 72.6 | Confident | 53 Ų | 53 | 71.1 Ų | 71.1 | 28% | 0.283 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -78.7 | -31.5 | 176.3 | -79.3 | -31.7 | 0 | 0 | 0 | 113 | K78 V1433 V1434 R1440 Q1441 | K78-D1437 IonicContact NZ-OD2 3.96Å; K78-D1437 PolarHBondContact NZ-OD2 2.94Å; V1433-D1437 PolarHBondContact O-N 3.07Å; V1434-D1437 PolarHBondContact O-N 2.79Å; D1437-R1440 PolarHBondContact O-N 3.4Å; D1437-R1440 WeakPolarHBondContact OD1-CD 3.38Å; D1437-R1440 IonicContact OD1-CZ 3.71Å; D1437-R1440 IonicContact OD1-NE 3.33Å; D1437-R1440 IonicContact OD1-NH1 3.94Å; D1437-R1440 PolarHBondContact OD1-NH1 3.32Å; D1437-Q1441 WeakPolarHBondContact O-CG 3.4Å; D1437-Q1441 PolarHBondContact O-N 3.47Å |
| 1438 | N | 75.5 | Confident | 72.6 | Confident | 91 Ų | 91 | 70.9 Ų | 70.9 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -52.4 | 168.3 | -79.1 | -23.8 | 0 | 0 | 0 | 111 | V1434 D1435 R1440 Q1441 L1442 | V1434-N1438 WeakPolarHBondContact CG1-ND2 3Å; V1434-N1438 VanDerWaalsContact O-CB 3.25Å; V1434-N1438 WeakPolarHBondContact O-CB 3.14Å; V1434-N1438 PolarHBondContact O-N 2.98Å; V1434-N1438 PolarHBondContact O-ND2 2.92Å; D1435-N1438 PolarHBondContact O-N 3.39Å; N1438-R1440 VanDerWaalsContact C-N 3.3Å; N1438-R1440 PolarHBondContact O-N 3.41Å; N1438-Q1441 PolarHBondContact O-N 2.88Å; N1438-L1442 WeakPolarHBondContact O-CB 3.47Å; N1438-L1442 PolarHBondContact O-N 3.43Å |
| 1439 | Q | 68.3 | Low | 72.9 | Confident | 64 Ų | 64 | 73.8 Ų | 73.8 | 30% | 0.299 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -61.6 | -35.9 | 178 | -71.7 | -67.1 | -19.8 | 0 | 0 | 112.2 | D1435 V1443 | D1435-Q1439 WeakPolarHBondContact O-CB 3.47Å; D1435-Q1439 VanDerWaalsContact O-CG 3.24Å; D1435-Q1439 WeakPolarHBondContact O-CG 3.42Å; D1435-Q1439 PolarHBondContact O-N 3.36Å; Q1439-V1443 WeakPolarHBondContact O-CB 3.11Å; Q1439-V1443 VanDerWaalsContact O-CG2 3.3Å; Q1439-V1443 WeakPolarHBondContact O-CG2 3.2Å; Q1439-V1443 PolarHBondContact O-N 3.44Å |
| 1440 | R | 68.3 | Low | 72.9 | Confident | 50 Ų | 50 | 74.3 Ų | 74.3 | 19% | 0.189 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -65.9 | -45.6 | 173.1 | -75.9 | 163 | -174.4 | 178.1 | 2.9 | 113 | T94 C95 L1436 D1437 N1438 L1442 S1444 | T94-R1440 HydrophobicContact CG2-CG 4.46Å; T94-R1440 PolarHBondContact O-NE 3.42Å; T94-R1440 PolarHBondContact O-NH2 2.87Å; C95-R1440 VanDerWaalsContact CA-NH2 3.29Å; C95-R1440 PolarHBondContact SG-NH2 3.42Å; L1436-R1440 VanDerWaalsContact CD2-NH2 3.31Å; L1436-R1440 VanDerWaalsContact O-CD 3.32Å; L1436-R1440 WeakPolarHBondContact O-CD 3.14Å; L1436-R1440 WeakPolarHBondContact O-CG 3.15Å; L1436-R1440 PolarHBondContact O-N 3.49Å; L1436-R1440 VanDerWaalsContact O-N 3.11Å; D1437-R1440 PolarHBondContact O-N 3.4Å; D1437-R1440 WeakPolarHBondContact OD1-CD 3.38Å; D1437-R1440 IonicContact OD1-CZ 3.71Å; D1437-R1440 IonicContact OD1-NE 3.33Å; D1437-R1440 IonicContact OD1-NH1 3.94Å; D1437-R1440 PolarHBondContact OD1-NH1 3.32Å; N1438-R1440 VanDerWaalsContact C-N 3.3Å; N1438-R1440 PolarHBondContact O-N 3.41Å; R1440-L1442 VanDerWaalsContact C-N 3.32Å; R1440-S1444 WeakPolarHBondContact O-CB 3.05Å; R1440-S1444 PolarHBondContact O-N 2.9Å |
| 1441 | Q | 75.2 | Confident | 72.9 | Confident | 127 Ų | 127 | 78.6 Ų | 78.6 | 59% | 0.593 | 39% | 0.391 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 177.6 | -74.3 | -166.6 | 49.5 | 0 | 0 | 110.4 | D1437 N1438 N1445 | D1437-Q1441 WeakPolarHBondContact O-CG 3.4Å; D1437-Q1441 PolarHBondContact O-N 3.47Å; N1438-Q1441 PolarHBondContact O-N 2.88Å; Q1441-N1445 WeakPolarHBondContact O-CB 3.47Å; Q1441-N1445 PolarHBondContact O-N 3.05Å; Q1441-N1445 PolarHBondContact O-ND2 3.09Å; Q1441-N1445 VanDerWaalsContact O-ND2 3.13Å |
| 1442 | L | 72.7 | Confident | 73.1 | Confident | 53 Ų | 53 | 80.1 Ų | 80.1 | 28% | 0.277 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -57.5 | -61.8 | 175.2 | -173.6 | 63.3 | 0 | 0 | 0 | 110.7 | N759 N1438 R1440 S1444 N1445 L1446 | N759-L1442 HydrophobicContact CB-CD2 4.06Å; N1438-L1442 WeakPolarHBondContact O-CB 3.47Å; N1438-L1442 PolarHBondContact O-N 3.43Å; R1440-L1442 VanDerWaalsContact C-N 3.32Å; L1442-S1444 VanDerWaalsContact C-N 3.33Å; L1442-S1444 PolarHBondContact O-N 3.24Å; L1442-N1445 CarbonylContact O-C 3.55Å; L1442-N1445 PolarHBondContact O-N 3.42Å; L1442-L1446 HydrophobicContact CD1-CD1 4.44Å; L1442-L1446 HydrophobicContact CD1-CG 4.44Å; L1442-L1446 HydrophobicContact CG-CD1 4.12Å; L1442-L1446 HydrophobicContact CG-CG 4.47Å; L1442-L1446 WeakPolarHBondContact O-CG 3.48Å; L1442-L1446 PolarHBondContact O-N 3.39Å |
| 1443 | V | 70.3 | Confident | 73.6 | Confident | 79 Ų | 79 | 80.6 Ų | 80.6 | 48% | 0.479 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -56.5 | -43.7 | -179.3 | 171.9 | 0 | 0 | 0 | 0 | 112.1 | Q1439 N1445 L1446 E1447 | Q1439-V1443 WeakPolarHBondContact O-CB 3.11Å; Q1439-V1443 VanDerWaalsContact O-CG2 3.3Å; Q1439-V1443 WeakPolarHBondContact O-CG2 3.2Å; Q1439-V1443 PolarHBondContact O-N 3.44Å; V1443-N1445 VanDerWaalsContact C-N 3.3Å; V1443-N1445 PolarHBondContact O-N 3.24Å; V1443-L1446 PolarHBondContact O-N 2.98Å; V1443-E1447 WeakPolarHBondContact O-CG 3.29Å; V1443-E1447 PolarHBondContact O-N 2.96Å |
| 1444 | S | 73.9 | Confident | 73.7 | Confident | 42 Ų | 42 | 81.7 Ų | 81.7 | 29% | 0.294 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -67.6 | -29.4 | 178.2 | -171.7 | 0 | 0 | 0 | 0 | 113.2 | R1440 L1442 K1448 | R1440-S1444 WeakPolarHBondContact O-CB 3.05Å; R1440-S1444 PolarHBondContact O-N 2.9Å; L1442-S1444 VanDerWaalsContact C-N 3.33Å; L1442-S1444 PolarHBondContact O-N 3.24Å; S1444-K1448 VanDerWaalsContact O-CD 3.27Å; S1444-K1448 WeakPolarHBondContact O-CD 3.2Å; S1444-K1448 WeakPolarHBondContact O-CE 3.35Å; S1444-K1448 WeakPolarHBondContact O-CG 3.48Å; S1444-K1448 PolarHBondContact O-N 2.94Å; S1444-K1448 WeakPolarHBondContact OG-CE 3.49Å; S1444-K1448 PolarHBondContact OG-NZ 2.84Å; S1444-K1448 VanDerWaalsContact OG-NZ 3.12Å |
| 1445 | N | 77.2 | Confident | 73.9 | Confident | 79 Ų | 79 | 83.3 Ų | 83.3 | 42% | 0.422 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -79.6 | -32.3 | 174.7 | -69.2 | -20 | 0 | 0 | 0 | 111.9 | Q1441 L1442 V1443 K1448 K1449 | Q1441-N1445 WeakPolarHBondContact O-CB 3.47Å; Q1441-N1445 PolarHBondContact O-N 3.05Å; Q1441-N1445 PolarHBondContact O-ND2 3.09Å; Q1441-N1445 VanDerWaalsContact O-ND2 3.13Å; L1442-N1445 CarbonylContact O-C 3.55Å; L1442-N1445 PolarHBondContact O-N 3.42Å; V1443-N1445 VanDerWaalsContact C-N 3.3Å; V1443-N1445 PolarHBondContact O-N 3.24Å; N1445-K1448 PolarHBondContact O-N 2.63Å; N1445-K1448 PolarHBondContact OD1-NZ 2.8Å; N1445-K1449 WeakPolarHBondContact O-CG 3.49Å; N1445-K1449 PolarHBondContact O-N 2.68Å |
| 1446 | L | 70.6 | Confident | 74.5 | Confident | 27 Ų | 27 | 84.1 Ų | 84.1 | 14% | 0.141 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -64.3 | -49.7 | 169.9 | -65 | 178.3 | 0 | 0 | 0 | 111 | D757 L760 L1442 V1443 K1448 K1449 Q1450 | D757-L1446 HydrophobicContact CB-CD2 3.68Å; D757-L1446 VanDerWaalsContact OD2-CD2 3.24Å; D757-L1446 WeakPolarHBondContact OD2-CD2 3.25Å; L760-L1446 HydrophobicContact CD2-CD1 4.22Å; L760-L1446 HydrophobicContact CG-CD1 4.49Å; L1442-L1446 HydrophobicContact CD1-CD1 4.44Å; L1442-L1446 HydrophobicContact CD1-CG 4.44Å; L1442-L1446 HydrophobicContact CG-CD1 4.12Å; L1442-L1446 HydrophobicContact CG-CG 4.47Å; L1442-L1446 WeakPolarHBondContact O-CG 3.48Å; L1442-L1446 PolarHBondContact O-N 3.39Å; V1443-L1446 PolarHBondContact O-N 2.98Å; L1446-K1448 VanDerWaalsContact C-N 3.26Å; L1446-K1448 PolarHBondContact O-N 3.39Å; L1446-K1449 PolarHBondContact O-N 3.26Å; L1446-K1449 VanDerWaalsContact O-N 3.15Å; L1446-Q1450 WeakPolarHBondContact O-CB 3.46Å; L1446-Q1450 PolarHBondContact O-N 2.96Å |
| 1447 | E | 72.4 | Confident | 75 | Confident | 77 Ų | 77 | 86 Ų | 86 | 36% | 0.36 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -53.1 | -42.4 | 173.6 | -76.6 | -166.6 | 114.2 | 0 | 0 | 112.2 | V1443 R1451 | V1443-E1447 WeakPolarHBondContact O-CG 3.29Å; V1443-E1447 PolarHBondContact O-N 2.96Å; E1447-R1451 VanDerWaalsContact O-CB 3.32Å; E1447-R1451 WeakPolarHBondContact O-CB 3.49Å; E1447-R1451 WeakPolarHBondContact O-CG 3.39Å; E1447-R1451 PolarHBondContact O-N 2.82Å; E1447-R1451 IonicContact OE1-CZ 2.68Å; E1447-R1451 IonicContact OE1-NH2 3.96Å; E1447-R1451 PolarHBondContact OE1-NH2 3.33Å |
| 1448 | K | 77 | Confident | 75.4 | Confident | 119 Ų | 119 | 85.3 Ų | 85.3 | 52% | 0.517 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -70.8 | -39.6 | 179.2 | -71.6 | 164.4 | -158.8 | 151.2 | 0 | 112.7 | S1444 N1445 L1446 K1452 | S1444-K1448 VanDerWaalsContact O-CD 3.27Å; S1444-K1448 WeakPolarHBondContact O-CD 3.2Å; S1444-K1448 WeakPolarHBondContact O-CE 3.35Å; S1444-K1448 WeakPolarHBondContact O-CG 3.48Å; S1444-K1448 PolarHBondContact O-N 2.94Å; S1444-K1448 WeakPolarHBondContact OG-CE 3.49Å; S1444-K1448 PolarHBondContact OG-NZ 2.84Å; S1444-K1448 VanDerWaalsContact OG-NZ 3.12Å; N1445-K1448 PolarHBondContact O-N 2.63Å; N1445-K1448 PolarHBondContact OD1-NZ 2.8Å; L1446-K1448 VanDerWaalsContact C-N 3.26Å; L1446-K1448 PolarHBondContact O-N 3.39Å; K1448-K1452 VanDerWaalsContact O-CB 3.32Å; K1448-K1452 WeakPolarHBondContact O-CB 3.46Å; K1448-K1452 PolarHBondContact O-N 2.87Å; K1448-K1452 VanDerWaalsContact O-N 3.15Å |
| 1449 | K | 76 | Confident | 75.8 | Confident | 140 Ų | 140 | 85.4 Ų | 85.4 | 61% | 0.609 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.7 | -53.3 | 174.3 | -80.7 | -179.8 | 176.9 | -177.5 | 0 | 110.1 | N1445 L1446 K1452 F1453 | N1445-K1449 WeakPolarHBondContact O-CG 3.49Å; N1445-K1449 PolarHBondContact O-N 2.68Å; L1446-K1449 PolarHBondContact O-N 3.26Å; L1446-K1449 VanDerWaalsContact O-N 3.15Å; K1449-K1452 PolarHBondContact O-N 2.83Å; K1449-F1453 PolarHBondContact O-N 3.26Å |
| 1450 | Q | 70.7 | Confident | 76.4 | Confident | 73 Ų | 73 | 88.4 Ų | 88.4 | 34% | 0.341 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -57.8 | -55.6 | -178.7 | -167.5 | 61.5 | 49.4 | 0 | 0 | 110.5 | L1446 K1452 F1453 D1454 | L1446-Q1450 WeakPolarHBondContact O-CB 3.46Å; L1446-Q1450 PolarHBondContact O-N 2.96Å; Q1450-K1452 PolarHBondContact O-N 3.06Å; Q1450-K1452 VanDerWaalsContact O-N 3.09Å; Q1450-F1453 CarbonylContact O-C 3.31Å; Q1450-F1453 WeakPolarHBondContact O-CA 3.38Å; Q1450-F1453 WeakPolarHBondContact O-CB 3.25Å; Q1450-F1453 PolarHBondContact O-N 2.8Å; Q1450-D1454 PolarHBondContact NE2-OD1 3.11Å; Q1450-D1454 PolarHBondContact O-N 3.15Å |
| 1451 | R | 76.7 | Confident | 77 | Confident | 159 Ų | 159 | 91.7 Ų | 91.7 | 60% | 0.6 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -57.9 | -31.3 | 179 | -69.4 | 175.1 | -163.7 | -162.7 | 9.6 | 113.7 | E1447 Q1455 | E1447-R1451 VanDerWaalsContact O-CB 3.32Å; E1447-R1451 WeakPolarHBondContact O-CB 3.49Å; E1447-R1451 WeakPolarHBondContact O-CG 3.39Å; E1447-R1451 PolarHBondContact O-N 2.82Å; E1447-R1451 IonicContact OE1-CZ 2.68Å; E1447-R1451 IonicContact OE1-NH2 3.96Å; E1447-R1451 PolarHBondContact OE1-NH2 3.33Å; R1451-Q1455 WeakPolarHBondContact O-CB 3.21Å; R1451-Q1455 PolarHBondContact O-N 3.39Å |
| 1452 | K | 80.1 | Confident | 77.4 | Confident | 142 Ų | 142 | 90.1 Ų | 90.1 | 62% | 0.617 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -74.5 | -38.9 | 175.6 | -173.5 | -179.4 | 176.5 | -173.1 | 0 | 111.9 | K1448 K1449 Q1450 L1456 | K1448-K1452 VanDerWaalsContact O-CB 3.32Å; K1448-K1452 WeakPolarHBondContact O-CB 3.46Å; K1448-K1452 PolarHBondContact O-N 2.87Å; K1448-K1452 VanDerWaalsContact O-N 3.15Å; K1449-K1452 PolarHBondContact O-N 2.83Å; Q1450-K1452 PolarHBondContact O-N 3.06Å; Q1450-K1452 VanDerWaalsContact O-N 3.09Å; K1452-L1456 HydrophobicContact CG-CD1 4.45Å; K1452-L1456 WeakPolarHBondContact O-CG 3.16Å; K1452-L1456 PolarHBondContact O-N 2.9Å |
| 1453 | F | 76.7 | Confident | 78.1 | Confident | 82 Ų | 82 | 91.2 Ų | 91.2 | 36% | 0.36 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.5 | -50.2 | 172.1 | 177 | -91.2 | 0 | 0 | 0 | 110.8 | E755 K1449 Q1450 Q1455 L1456 L1457 | E755-F1453 VanDerWaalsContact OE2-CE2 3.29Å; E755-F1453 WeakPolarHBondContact OE2-CE2 3.45Å; K1449-F1453 PolarHBondContact O-N 3.26Å; Q1450-F1453 CarbonylContact O-C 3.31Å; Q1450-F1453 WeakPolarHBondContact O-CA 3.38Å; Q1450-F1453 WeakPolarHBondContact O-CB 3.25Å; Q1450-F1453 PolarHBondContact O-N 2.8Å; F1453-Q1455 VanDerWaalsContact C-N 3.26Å; F1453-Q1455 PolarHBondContact O-N 2.86Å; F1453-L1456 PolarHBondContact O-N 3.4Å; F1453-L1456 VanDerWaalsContact O-N 3.16Å; F1453-L1457 HydrophobicContact CE1-CD2 3.84Å; F1453-L1457 HydrophobicContact CZ-CD2 4.34Å; F1453-L1457 WeakPolarHBondContact O-CB 3.43Å; F1453-L1457 PolarHBondContact O-N 2.74Å |
| 1454 | D | 77.3 | Confident | 78.7 | Confident | 68 Ų | 68 | 91.1 Ų | 91.1 | 36% | 0.364 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -55.6 | -42 | 175.8 | -56 | -26.4 | 0 | 0 | 0 | 111.1 | Q1450 A1458 | Q1450-D1454 PolarHBondContact NE2-OD1 3.11Å; Q1450-D1454 PolarHBondContact O-N 3.15Å; D1454-A1458 WeakPolarHBondContact O-CA 3.42Å; D1454-A1458 WeakPolarHBondContact O-CB 3.43Å; D1454-A1458 PolarHBondContact O-N 3.39Å |
| 1455 | Q | 82 | Confident | 79.3 | Confident | 113 Ų | 113 | 92.1 Ų | 92.1 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.7 | -49.1 | 176.5 | 179.5 | 176.9 | -10.2 | 0 | 0 | 111.9 | R1451 F1453 L1457 A1458 E1459 | R1451-Q1455 WeakPolarHBondContact O-CB 3.21Å; R1451-Q1455 PolarHBondContact O-N 3.39Å; F1453-Q1455 VanDerWaalsContact C-N 3.26Å; F1453-Q1455 PolarHBondContact O-N 2.86Å; Q1455-L1457 PolarHBondContact O-N 3.09Å; Q1455-A1458 CarbonylContact O-C 3.45Å; Q1455-A1458 PolarHBondContact O-N 3.24Å; Q1455-E1459 HydrophobicContact CG-CG 4.42Å; Q1455-E1459 VanDerWaalsContact CG-OE1 3.27Å; Q1455-E1459 WeakPolarHBondContact CG-OE1 3.11Å; Q1455-E1459 PolarHBondContact NE2-OE1 2.94Å; Q1455-E1459 WeakPolarHBondContact O-CB 3.39Å; Q1455-E1459 WeakPolarHBondContact O-CG 3.37Å; Q1455-E1459 PolarHBondContact O-N 3.28Å |
| 1456 | L | 82.2 | Confident | 79.7 | Confident | 99 Ų | 99 | 94.3 Ų | 94.3 | 52% | 0.518 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.9 | -44.4 | 178.5 | -71.9 | 167 | 0 | 0 | 0 | 111.5 | K1452 F1453 A1458 E1459 E1460 | K1452-L1456 HydrophobicContact CG-CD1 4.45Å; K1452-L1456 WeakPolarHBondContact O-CG 3.16Å; K1452-L1456 PolarHBondContact O-N 2.9Å; F1453-L1456 PolarHBondContact O-N 3.4Å; F1453-L1456 VanDerWaalsContact O-N 3.16Å; L1456-A1458 VanDerWaalsContact C-N 3.34Å; L1456-A1458 PolarHBondContact O-N 2.64Å; L1456-E1459 PolarHBondContact O-N 3.2Å; L1456-E1460 PolarHBondContact O-N 3.26Å; L1456-E1460 VanDerWaalsContact O-N 3.12Å |
| 1457 | L | 79.3 | Confident | 80.5 | Confident | 70 Ų | 70 | 100.4 Ų | 100.4 | 37% | 0.366 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -66.6 | -35.3 | 177 | -177 | 60.8 | 0 | 0 | 0 | 111.8 | F1453 Q1455 K1461 | F1453-L1457 HydrophobicContact CE1-CD2 3.84Å; F1453-L1457 HydrophobicContact CZ-CD2 4.34Å; F1453-L1457 WeakPolarHBondContact O-CB 3.43Å; F1453-L1457 PolarHBondContact O-N 2.74Å; Q1455-L1457 PolarHBondContact O-N 3.09Å; L1457-K1461 HydrophobicContact CD1-CD 4.43Å; L1457-K1461 HydrophobicContact CG-CD 4.08Å; L1457-K1461 VanDerWaalsContact O-CB 3.24Å; L1457-K1461 WeakPolarHBondContact O-CB 3.44Å; L1457-K1461 WeakPolarHBondContact O-CD 3.34Å; L1457-K1461 WeakPolarHBondContact O-CG 3.44Å; L1457-K1461 PolarHBondContact O-N 2.86Å |
| 1458 | A | 81.2 | Confident | 81.1 | Confident | 38 Ų | 38 | 98.5 Ų | 98.5 | 31% | 0.314 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.7 | -34.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | D1454 Q1455 L1456 N1462 | D1454-A1458 WeakPolarHBondContact O-CA 3.42Å; D1454-A1458 WeakPolarHBondContact O-CB 3.43Å; D1454-A1458 PolarHBondContact O-N 3.39Å; Q1455-A1458 CarbonylContact O-C 3.45Å; Q1455-A1458 PolarHBondContact O-N 3.24Å; L1456-A1458 VanDerWaalsContact C-N 3.34Å; L1456-A1458 PolarHBondContact O-N 2.64Å; A1458-N1462 WeakPolarHBondContact O-CB 3.46Å; A1458-N1462 PolarHBondContact O-N 2.82Å; A1458-N1462 PolarHBondContact O-ND2 3.24Å |
| 1459 | E | 82.7 | Confident | 81.6 | Confident | 92 Ų | 92 | 96.4 Ų | 96.4 | 43% | 0.43 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62.5 | -49.3 | 175 | -78.3 | 169.7 | -170.3 | 0 | 0 | 110.3 | Q1455 L1456 N1462 I1463 | Q1455-E1459 HydrophobicContact CG-CG 4.42Å; Q1455-E1459 VanDerWaalsContact CG-OE1 3.27Å; Q1455-E1459 WeakPolarHBondContact CG-OE1 3.11Å; Q1455-E1459 PolarHBondContact NE2-OE1 2.94Å; Q1455-E1459 WeakPolarHBondContact O-CB 3.39Å; Q1455-E1459 WeakPolarHBondContact O-CG 3.37Å; Q1455-E1459 PolarHBondContact O-N 3.28Å; L1456-E1459 PolarHBondContact O-N 3.2Å; E1459-N1462 PolarHBondContact O-N 3.15Å; E1459-I1463 VanDerWaalsContact O-CG1 3.3Å; E1459-I1463 WeakPolarHBondContact O-CG1 3.38Å; E1459-I1463 PolarHBondContact O-N 2.89Å |
| 1460 | E | 81.2 | Confident | 82.1 | Confident | 128 Ų | 128 | 95.2 Ų | 95.2 | 60% | 0.598 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -63.2 | -47.3 | 173.2 | -79.8 | -64.5 | 165.9 | 0 | 0 | 113.1 | L1456 N1462 I1463 S1464 | L1456-E1460 PolarHBondContact O-N 3.26Å; L1456-E1460 VanDerWaalsContact O-N 3.12Å; E1460-N1462 VanDerWaalsContact C-N 3.27Å; E1460-N1462 PolarHBondContact O-N 3.21Å; E1460-I1463 PolarHBondContact O-N 2.99Å; E1460-I1463 VanDerWaalsContact O-N 3.14Å; E1460-S1464 PolarHBondContact O-N 2.94Å |
| 1461 | K | 81.9 | Confident | 82.9 | Confident | 119 Ų | 119 | 98.3 Ų | 98.3 | 52% | 0.517 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -57.4 | -39.5 | 174.9 | -78 | 170.3 | 179.4 | 171.5 | 0 | 111.7 | L1457 S1465 | L1457-K1461 HydrophobicContact CD1-CD 4.43Å; L1457-K1461 HydrophobicContact CG-CD 4.08Å; L1457-K1461 VanDerWaalsContact O-CB 3.24Å; L1457-K1461 WeakPolarHBondContact O-CB 3.44Å; L1457-K1461 WeakPolarHBondContact O-CD 3.34Å; L1457-K1461 WeakPolarHBondContact O-CG 3.44Å; L1457-K1461 PolarHBondContact O-N 2.86Å; K1461-S1465 WeakPolarHBondContact O-CB 3.15Å; K1461-S1465 PolarHBondContact O-N 2.76Å |
| 1462 | N | 84.1 | Confident | 83.4 | Confident | 93 Ų | 93 | 94.3 Ų | 94.3 | 50% | 0.497 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -70.9 | -34.3 | 177.6 | -80 | -54.4 | 0 | 0 | 0 | 112.6 | A1458 E1459 E1460 K1466 | A1458-N1462 WeakPolarHBondContact O-CB 3.46Å; A1458-N1462 PolarHBondContact O-N 2.82Å; A1458-N1462 PolarHBondContact O-ND2 3.24Å; E1459-N1462 PolarHBondContact O-N 3.15Å; E1460-N1462 VanDerWaalsContact C-N 3.27Å; E1460-N1462 PolarHBondContact O-N 3.21Å; N1462-K1466 WeakPolarHBondContact O-CB 3.46Å; N1462-K1466 WeakPolarHBondContact O-CD 3.36Å; N1462-K1466 WeakPolarHBondContact O-CG 3.34Å; N1462-K1466 PolarHBondContact O-N 3.13Å |
| 1463 | I | 86.6 | Confident | 83.8 | Confident | 76 Ų | 76 | 94.8 Ų | 94.8 | 39% | 0.39 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -67.2 | -51 | 173.4 | -69.7 | 163.3 | 0 | 0 | 0 | 109.7 | E1459 E1460 S1465 K1466 Y1467 | E1459-I1463 VanDerWaalsContact O-CG1 3.3Å; E1459-I1463 WeakPolarHBondContact O-CG1 3.38Å; E1459-I1463 PolarHBondContact O-N 2.89Å; E1460-I1463 PolarHBondContact O-N 2.99Å; E1460-I1463 VanDerWaalsContact O-N 3.14Å; I1463-S1465 VanDerWaalsContact C-N 3.31Å; I1463-S1465 PolarHBondContact O-N 2.82Å; I1463-K1466 PolarHBondContact O-N 3.17Å; I1463-Y1467 HydrophobicContact CG2-CD2 3.91Å; I1463-Y1467 HydrophobicContact CG2-CE2 3.49Å; I1463-Y1467 VanDerWaalsContact CG2-CE2 3.49Å; I1463-Y1467 WeakPolarHBondContact O-CD2 3.03Å; I1463-Y1467 PolarHBondContact O-N 2.85Å |
| 1464 | S | 82.7 | Confident | 84.4 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 54% | 0.538 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 176.6 | -173.5 | 0 | 0 | 0 | 0 | 112.6 | E1460 Y1467 A1468 | E1460-S1464 PolarHBondContact O-N 2.94Å; S1464-Y1467 PolarHBondContact O-N 2.87Å; S1464-A1468 WeakPolarHBondContact O-CB 3.3Å; S1464-A1468 PolarHBondContact O-N 3.05Å |
| 1465 | S | 86.3 | Confident | 84.9 | Confident | 63 Ų | 63 | 94.3 Ų | 94.3 | 44% | 0.441 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -69.2 | -35.3 | 177.1 | -169.1 | 0 | 0 | 0 | 0 | 112.1 | K1461 I1463 A1468 D1469 | K1461-S1465 WeakPolarHBondContact O-CB 3.15Å; K1461-S1465 PolarHBondContact O-N 2.76Å; I1463-S1465 VanDerWaalsContact C-N 3.31Å; I1463-S1465 PolarHBondContact O-N 2.82Å; S1465-A1468 PolarHBondContact O-N 3.32Å; S1465-D1469 WeakPolarHBondContact O-CB 3.25Å; S1465-D1469 PolarHBondContact O-N 3.39Å |
| 1466 | K | 86.9 | Confident | 85.2 | Confident | 126 Ų | 126 | 91.2 Ų | 91.2 | 55% | 0.548 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.8 | -44.4 | 173.2 | -77.3 | 167.2 | -176.2 | 174.9 | 0 | 111.7 | N1462 I1463 A1468 D1469 E1470 | N1462-K1466 WeakPolarHBondContact O-CB 3.46Å; N1462-K1466 WeakPolarHBondContact O-CD 3.36Å; N1462-K1466 WeakPolarHBondContact O-CG 3.34Å; N1462-K1466 PolarHBondContact O-N 3.13Å; I1463-K1466 PolarHBondContact O-N 3.17Å; K1466-A1468 VanDerWaalsContact C-N 3.31Å; K1466-A1468 PolarHBondContact O-N 3.2Å; K1466-D1469 WeakPolarHBondContact O-CB 3.34Å; K1466-D1469 PolarHBondContact O-N 2.83Å; K1466-E1470 WeakPolarHBondContact O-CB 3.45Å; K1466-E1470 VanDerWaalsContact O-CG 3.31Å; K1466-E1470 WeakPolarHBondContact O-CG 3.21Å; K1466-E1470 PolarHBondContact O-N 2.91Å |
| 1467 | Y | 86.4 | Confident | 85.5 | Confident | 155 Ų | 155 | 91.3 Ų | 91.3 | 61% | 0.608 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -65.9 | -33.7 | 176.3 | -67.8 | -44.8 | 0 | 0 | 0 | 112.7 | I1463 S1464 R1471 | I1463-Y1467 HydrophobicContact CG2-CD2 3.91Å; I1463-Y1467 HydrophobicContact CG2-CE2 3.49Å; I1463-Y1467 VanDerWaalsContact CG2-CE2 3.49Å; I1463-Y1467 WeakPolarHBondContact O-CD2 3.03Å; I1463-Y1467 PolarHBondContact O-N 2.85Å; S1464-Y1467 PolarHBondContact O-N 2.87Å; Y1467-R1471 WeakPolarHBondContact O-CB 3.49Å; Y1467-R1471 PolarHBondContact O-N 3.14Å |
| 1468 | A | 84.7 | Confident | 86 | Confident | 36 Ų | 36 | 90.5 Ų | 90.5 | 30% | 0.298 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -65.7 | -48.3 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | S1464 S1465 K1466 E1470 R1471 D1472 | S1464-A1468 WeakPolarHBondContact O-CB 3.3Å; S1464-A1468 PolarHBondContact O-N 3.05Å; S1465-A1468 PolarHBondContact O-N 3.32Å; K1466-A1468 VanDerWaalsContact C-N 3.31Å; K1466-A1468 PolarHBondContact O-N 3.2Å; A1468-E1470 VanDerWaalsContact C-N 3.34Å; A1468-E1470 PolarHBondContact O-N 3.14Å; A1468-R1471 PolarHBondContact O-N 3.04Å; A1468-D1472 WeakPolarHBondContact O-CB 3.4Å; A1468-D1472 PolarHBondContact O-N 2.88Å |
| 1469 | D | 87.5 | Confident | 86.4 | Confident | 76 Ų | 76 | 94.9 Ų | 94.9 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -56.8 | -43.5 | 174.9 | -100.1 | 35 | 0 | 0 | 0 | 112.6 | S1465 K1466 R1473 | S1465-D1469 WeakPolarHBondContact O-CB 3.25Å; S1465-D1469 PolarHBondContact O-N 3.39Å; K1466-D1469 WeakPolarHBondContact O-CB 3.34Å; K1466-D1469 PolarHBondContact O-N 2.83Å; D1469-R1473 WeakPolarHBondContact O-CB 3.42Å; D1469-R1473 WeakPolarHBondContact O-CD 3.34Å; D1469-R1473 WeakPolarHBondContact O-CG 3.45Å; D1469-R1473 PolarHBondContact O-N 3.17Å; D1469-R1473 IonicContact OD2-CZ 3.81Å; D1469-R1473 IonicContact OD2-NH2 2.62Å; D1469-R1473 PolarHBondContact OD2-NH2 2.89Å |
| 1470 | E | 86.7 | Confident | 86.7 | Confident | 114 Ų | 114 | 95.2 Ų | 95.2 | 53% | 0.533 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -69.7 | -42 | -179.8 | -75.5 | 173.8 | -177.6 | 0 | 0 | 111.5 | K1466 A1468 A1474 | K1466-E1470 WeakPolarHBondContact O-CB 3.45Å; K1466-E1470 VanDerWaalsContact O-CG 3.31Å; K1466-E1470 WeakPolarHBondContact O-CG 3.21Å; K1466-E1470 PolarHBondContact O-N 2.91Å; A1468-E1470 VanDerWaalsContact C-N 3.34Å; A1468-E1470 PolarHBondContact O-N 3.14Å; E1470-A1474 WeakPolarHBondContact O-CB 3.04Å; E1470-A1474 PolarHBondContact O-N 3.21Å |
| 1471 | R | 87.9 | Confident | 87.1 | Confident | 139 Ų | 139 | 95 Ų | 95 | 53% | 0.525 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -59.9 | -50.2 | 171 | -178.1 | -159.8 | 66.4 | -170.4 | -1.3 | 111 | Y1467 A1468 R1473 A1474 E1475 | Y1467-R1471 WeakPolarHBondContact O-CB 3.49Å; Y1467-R1471 PolarHBondContact O-N 3.14Å; A1468-R1471 PolarHBondContact O-N 3.04Å; R1471-R1473 VanDerWaalsContact C-N 3.3Å; R1471-R1473 PolarHBondContact O-N 2.86Å; R1471-A1474 CarbonylContact O-C 3.5Å; R1471-A1474 WeakPolarHBondContact O-CB 3.07Å; R1471-A1474 PolarHBondContact O-N 3.04Å; R1471-A1474 VanDerWaalsContact O-N 3.07Å; R1471-E1475 WeakPolarHBondContact CD-OE1 3.4Å; R1471-E1475 HydrophobicContact CG-CG 4.41Å; R1471-E1475 IonicContact NE-OE1 3.83Å; R1471-E1475 PolarHBondContact O-N 3.39Å |
| 1472 | D | 86.8 | Confident | 87.5 | Confident | 75 Ų | 75 | 95 Ų | 95 | 40% | 0.401 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -68.3 | -31.4 | -173.6 | -74.6 | 12 | 0 | 0 | 0 | 111.7 | A1468 A1476 | A1468-D1472 WeakPolarHBondContact O-CB 3.4Å; A1468-D1472 PolarHBondContact O-N 2.88Å; D1472-A1476 WeakPolarHBondContact O-CB 3.33Å; D1472-A1476 PolarHBondContact O-N 2.78Å |
| 1473 | R | 89 | Confident | 87.8 | Confident | 152 Ų | 152 | 94.9 Ų | 94.9 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -67.2 | -45.4 | 167.4 | -71.2 | 170.7 | -151.7 | -176.2 | 9.8 | 112.1 | D1469 R1471 E1475 A1476 E1477 | D1469-R1473 WeakPolarHBondContact O-CB 3.42Å; D1469-R1473 WeakPolarHBondContact O-CD 3.34Å; D1469-R1473 WeakPolarHBondContact O-CG 3.45Å; D1469-R1473 PolarHBondContact O-N 3.17Å; D1469-R1473 IonicContact OD2-CZ 3.81Å; D1469-R1473 IonicContact OD2-NH2 2.62Å; D1469-R1473 PolarHBondContact OD2-NH2 2.89Å; R1471-R1473 VanDerWaalsContact C-N 3.3Å; R1471-R1473 PolarHBondContact O-N 2.86Å; R1473-E1475 VanDerWaalsContact C-N 3.34Å; R1473-E1475 PolarHBondContact O-N 3.2Å; R1473-A1476 PolarHBondContact O-N 2.86Å; R1473-E1477 WeakPolarHBondContact O-CB 3.16Å; R1473-E1477 PolarHBondContact O-N 3.31Å |
| 1474 | A | 88.5 | Confident | 88 | Confident | 60 Ų | 60 | 96.7 Ų | 96.7 | 50% | 0.496 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63 | -40.3 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | E1470 R1471 A1478 | E1470-A1474 WeakPolarHBondContact O-CB 3.04Å; E1470-A1474 PolarHBondContact O-N 3.21Å; R1471-A1474 CarbonylContact O-C 3.5Å; R1471-A1474 WeakPolarHBondContact O-CB 3.07Å; R1471-A1474 PolarHBondContact O-N 3.04Å; R1471-A1474 VanDerWaalsContact O-N 3.07Å; A1474-A1478 WeakPolarHBondContact O-CB 3.08Å; A1474-A1478 PolarHBondContact O-N 3.22Å |
| 1475 | E | 88.6 | Confident | 88.3 | Confident | 80 Ų | 80 | 95.8 Ų | 95.8 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.7 | -40.9 | 172.3 | -73.1 | -171.1 | -146.5 | 0 | 0 | 112.3 | R1471 R1473 A1478 R1479 | R1471-E1475 WeakPolarHBondContact CD-OE1 3.4Å; R1471-E1475 HydrophobicContact CG-CG 4.41Å; R1471-E1475 IonicContact NE-OE1 3.83Å; R1471-E1475 PolarHBondContact O-N 3.39Å; R1473-E1475 VanDerWaalsContact C-N 3.34Å; R1473-E1475 PolarHBondContact O-N 3.2Å; E1475-A1478 PolarHBondContact O-N 2.88Å; E1475-R1479 WeakPolarHBondContact O-CB 3.41Å; E1475-R1479 VanDerWaalsContact O-CG 3.29Å; E1475-R1479 WeakPolarHBondContact O-CG 3.43Å; E1475-R1479 PolarHBondContact O-N 2.9Å; E1475-R1479 IonicContact OE2-CZ 2.63Å; E1475-R1479 IonicContact OE2-NE 2.65Å; E1475-R1479 IonicContact OE2-NH2 2.63Å; E1475-R1479 PolarHBondContact OE2-NH2 3.06Å |
| 1476 | A | 88 | Confident | 88.5 | Confident | 47 Ų | 47 | 97.6 Ų | 97.6 | 39% | 0.388 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.2 | -44.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | D1472 R1473 A1478 R1479 E1480 | D1472-A1476 WeakPolarHBondContact O-CB 3.33Å; D1472-A1476 PolarHBondContact O-N 2.78Å; R1473-A1476 PolarHBondContact O-N 2.86Å; A1476-A1478 VanDerWaalsContact C-N 3.34Å; A1476-A1478 PolarHBondContact O-N 3.18Å; A1476-R1479 PolarHBondContact O-N 3.15Å; A1476-E1480 WeakPolarHBondContact O-CB 3.47Å; A1476-E1480 PolarHBondContact O-N 2.99Å |
| 1477 | E | 88.6 | Confident | 88.7 | Confident | 101 Ų | 101 | 95.3 Ų | 95.3 | 47% | 0.472 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.5 | -39.7 | 172.4 | -83.6 | -166 | -142.3 | 0 | 0 | 112.5 | R1473 E1480 K1481 | R1473-E1477 WeakPolarHBondContact O-CB 3.16Å; R1473-E1477 PolarHBondContact O-N 3.31Å; E1477-E1480 PolarHBondContact O-N 3.07Å; E1477-K1481 WeakPolarHBondContact O-CB 3.11Å; E1477-K1481 VanDerWaalsContact O-CD 3.25Å; E1477-K1481 WeakPolarHBondContact O-CD 3.32Å; E1477-K1481 WeakPolarHBondContact O-CG 3.26Å; E1477-K1481 PolarHBondContact O-N 2.95Å; E1477-K1481 IonicContact OE2-NZ 2.6Å; E1477-K1481 PolarHBondContact OE2-NZ 3.46Å |
| 1478 | A | 89.1 | Confident | 88.9 | Confident | 53 Ų | 53 | 94 Ų | 94 | 44% | 0.438 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.3 | -48.4 | 177 | 0 | 0 | 0 | 0 | 0 | 111 | A1474 E1475 A1476 E1480 K1481 E1482 | A1474-A1478 WeakPolarHBondContact O-CB 3.08Å; A1474-A1478 PolarHBondContact O-N 3.22Å; E1475-A1478 PolarHBondContact O-N 2.88Å; A1476-A1478 VanDerWaalsContact C-N 3.34Å; A1476-A1478 PolarHBondContact O-N 3.18Å; A1478-E1480 VanDerWaalsContact C-N 3.3Å; A1478-E1480 PolarHBondContact O-N 3.27Å; A1478-K1481 PolarHBondContact O-N 3.12Å; A1478-E1482 WeakPolarHBondContact O-CB 3.2Å; A1478-E1482 PolarHBondContact O-N 3.1Å |
| 1479 | R | 89.6 | Confident | 89.3 | Confident | 131 Ų | 131 | 94.8 Ų | 94.8 | 49% | 0.494 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.3 | -33.5 | 175.5 | -67.6 | -179.9 | -129.1 | 135.4 | -6 | 112.1 | E1475 A1476 T1483 | E1475-R1479 WeakPolarHBondContact O-CB 3.41Å; E1475-R1479 VanDerWaalsContact O-CG 3.29Å; E1475-R1479 WeakPolarHBondContact O-CG 3.43Å; E1475-R1479 PolarHBondContact O-N 2.9Å; E1475-R1479 IonicContact OE2-CZ 2.63Å; E1475-R1479 IonicContact OE2-NE 2.65Å; E1475-R1479 IonicContact OE2-NH2 2.63Å; E1475-R1479 PolarHBondContact OE2-NH2 3.06Å; A1476-R1479 PolarHBondContact O-N 3.15Å; R1479-T1483 VanDerWaalsContact O-CB 3.26Å; R1479-T1483 WeakPolarHBondContact O-CB 3.25Å; R1479-T1483 PolarHBondContact O-N 2.88Å; R1479-T1483 PolarHBondContact O-OG1 3.41Å |
| 1480 | E | 89.8 | Confident | 89.5 | Confident | 99 Ų | 99 | 99.1 Ų | 99.1 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.3 | -43.3 | 173.5 | -164.8 | -162.5 | 151 | 0 | 0 | 111.6 | A1476 E1477 A1478 T1483 K1484 | A1476-E1480 WeakPolarHBondContact O-CB 3.47Å; A1476-E1480 PolarHBondContact O-N 2.99Å; E1477-E1480 PolarHBondContact O-N 3.07Å; A1478-E1480 VanDerWaalsContact C-N 3.3Å; A1478-E1480 PolarHBondContact O-N 3.27Å; E1480-T1483 PolarHBondContact O-N 3Å; E1480-K1484 HydrophobicContact CG-CD 4.43Å; E1480-K1484 WeakPolarHBondContact O-CB 3.31Å; E1480-K1484 WeakPolarHBondContact O-CG 3.47Å; E1480-K1484 PolarHBondContact O-N 3.35Å; E1480-K1484 VanDerWaalsContact OE1-CE 3.25Å; E1480-K1484 WeakPolarHBondContact OE1-CE 3.11Å; E1480-K1484 IonicContact OE1-NZ 2.69Å; E1480-K1484 PolarHBondContact OE1-NZ 2.93Å |
| 1481 | K | 89.2 | Confident | 89.7 | Confident | 122 Ų | 122 | 96.1 Ų | 96.1 | 53% | 0.53 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.4 | -40.5 | 176.1 | -70 | 158.9 | -164 | 166.2 | 0 | 111.4 | E1477 A1478 K1484 A1485 | E1477-K1481 WeakPolarHBondContact O-CB 3.11Å; E1477-K1481 VanDerWaalsContact O-CD 3.25Å; E1477-K1481 WeakPolarHBondContact O-CD 3.32Å; E1477-K1481 WeakPolarHBondContact O-CG 3.26Å; E1477-K1481 PolarHBondContact O-N 2.95Å; E1477-K1481 IonicContact OE2-NZ 2.6Å; E1477-K1481 PolarHBondContact OE2-NZ 3.46Å; A1478-K1481 PolarHBondContact O-N 3.12Å; K1481-K1484 PolarHBondContact O-N 3.48Å; K1481-A1485 WeakPolarHBondContact O-CB 3.47Å; K1481-A1485 PolarHBondContact O-N 2.94Å |
| 1482 | E | 90.8 | Very high | 89.8 | Confident | 119 Ų | 119 | 94.7 Ų | 94.7 | 56% | 0.556 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.8 | -46.3 | 172.7 | -177.4 | 177.5 | -151.8 | 0 | 0 | 111.8 | A1478 K1484 A1485 L1486 | A1478-E1482 WeakPolarHBondContact O-CB 3.2Å; A1478-E1482 PolarHBondContact O-N 3.1Å; E1482-K1484 VanDerWaalsContact C-N 3.29Å; E1482-K1484 PolarHBondContact O-N 3.02Å; E1482-A1485 WeakPolarHBondContact O-CB 3.09Å; E1482-A1485 PolarHBondContact O-N 2.84Å; E1482-A1485 VanDerWaalsContact O-N 3.12Å; E1482-L1486 HydrophobicContact CG-CD1 4.16Å; E1482-L1486 WeakPolarHBondContact O-CB 3.41Å; E1482-L1486 WeakPolarHBondContact O-CG 3.47Å; E1482-L1486 PolarHBondContact O-N 3.45Å |
| 1483 | T | 89.3 | Confident | 90 | Very high | 91 Ų | 91 | 96.9 Ų | 96.9 | 56% | 0.558 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.9 | -39.1 | 175.4 | -59.1 | 0 | 0 | 0 | 0 | 111.5 | R1479 E1480 S1487 | R1479-T1483 VanDerWaalsContact O-CB 3.26Å; R1479-T1483 WeakPolarHBondContact O-CB 3.25Å; R1479-T1483 PolarHBondContact O-N 2.88Å; R1479-T1483 PolarHBondContact O-OG1 3.41Å; E1480-T1483 PolarHBondContact O-N 3Å; T1483-S1487 WeakPolarHBondContact O-CB 3.3Å; T1483-S1487 PolarHBondContact O-N 2.98Å |
| 1484 | K | 90.7 | Very high | 90 | Very high | 115 Ų | 115 | 95.7 Ų | 95.7 | 50% | 0.5 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66 | -40.6 | 173.2 | -78.1 | 168.5 | 169.8 | 172.3 | 0 | 112.2 | E1480 K1481 E1482 S1487 L1488 | E1480-K1484 HydrophobicContact CG-CD 4.43Å; E1480-K1484 WeakPolarHBondContact O-CB 3.31Å; E1480-K1484 WeakPolarHBondContact O-CG 3.47Å; E1480-K1484 PolarHBondContact O-N 3.35Å; E1480-K1484 VanDerWaalsContact OE1-CE 3.25Å; E1480-K1484 WeakPolarHBondContact OE1-CE 3.11Å; E1480-K1484 IonicContact OE1-NZ 2.69Å; E1480-K1484 PolarHBondContact OE1-NZ 2.93Å; K1481-K1484 PolarHBondContact O-N 3.48Å; E1482-K1484 VanDerWaalsContact C-N 3.29Å; E1482-K1484 PolarHBondContact O-N 3.02Å; K1484-S1487 PolarHBondContact O-N 3.4Å; K1484-L1488 WeakPolarHBondContact O-CB 3.32Å; K1484-L1488 VanDerWaalsContact O-CG 3.32Å; K1484-L1488 WeakPolarHBondContact O-CG 3.35Å; K1484-L1488 PolarHBondContact O-N 3.2Å |
| 1485 | A | 89.6 | Confident | 90 | Very high | 58 Ų | 58 | 95.5 Ų | 95.5 | 48% | 0.479 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.9 | -44.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | K1481 E1482 S1487 L1488 A1489 | K1481-A1485 WeakPolarHBondContact O-CB 3.47Å; K1481-A1485 PolarHBondContact O-N 2.94Å; E1482-A1485 WeakPolarHBondContact O-CB 3.09Å; E1482-A1485 PolarHBondContact O-N 2.84Å; E1482-A1485 VanDerWaalsContact O-N 3.12Å; A1485-S1487 VanDerWaalsContact C-N 3.35Å; A1485-S1487 PolarHBondContact O-N 2.77Å; A1485-L1488 PolarHBondContact O-N 3.08Å; A1485-A1489 VanDerWaalsContact O-CB 3.31Å; A1485-A1489 WeakPolarHBondContact O-CB 3.5Å; A1485-A1489 PolarHBondContact O-N 3.06Å |
| 1486 | L | 91.1 | Very high | 90.2 | Very high | 101 Ų | 101 | 96.2 Ų | 96.2 | 53% | 0.529 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.2 | -38.4 | 174.3 | -74.8 | 167.4 | 0 | 0 | 0 | 112.4 | E1482 A1489 R1490 | E1482-L1486 HydrophobicContact CG-CD1 4.16Å; E1482-L1486 WeakPolarHBondContact O-CB 3.41Å; E1482-L1486 WeakPolarHBondContact O-CG 3.47Å; E1482-L1486 PolarHBondContact O-N 3.45Å; L1486-A1489 PolarHBondContact O-N 3.26Å; L1486-R1490 WeakPolarHBondContact O-CB 3.34Å; L1486-R1490 WeakPolarHBondContact O-CG 3.33Å; L1486-R1490 PolarHBondContact O-N 2.87Å |
| 1487 | S | 91.4 | Very high | 90.3 | Very high | 78 Ų | 78 | 100 Ų | 100 | 55% | 0.545 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -65.2 | -44.6 | 175.1 | -175 | 0 | 0 | 0 | 0 | 111.8 | T1483 K1484 A1485 R1490 A1491 | T1483-S1487 WeakPolarHBondContact O-CB 3.3Å; T1483-S1487 PolarHBondContact O-N 2.98Å; K1484-S1487 PolarHBondContact O-N 3.4Å; A1485-S1487 VanDerWaalsContact C-N 3.35Å; A1485-S1487 PolarHBondContact O-N 2.77Å; S1487-R1490 PolarHBondContact O-N 3.47Å; S1487-A1491 WeakPolarHBondContact O-CB 3.33Å; S1487-A1491 PolarHBondContact O-N 2.87Å |
| 1488 | L | 91 | Very high | 90.4 | Very high | 127 Ų | 127 | 97.5 Ų | 97.5 | 67% | 0.665 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.7 | -35.3 | 175 | -71.3 | 169.9 | 0 | 0 | 0 | 112.6 | K1484 A1485 L1492 | K1484-L1488 WeakPolarHBondContact O-CB 3.32Å; K1484-L1488 VanDerWaalsContact O-CG 3.32Å; K1484-L1488 WeakPolarHBondContact O-CG 3.35Å; K1484-L1488 PolarHBondContact O-N 3.2Å; A1485-L1488 PolarHBondContact O-N 3.08Å; L1488-L1492 WeakPolarHBondContact O-CB 3.28Å; L1488-L1492 PolarHBondContact O-N 3.05Å |
| 1489 | A | 91.7 | Very high | 90.4 | Very high | 52 Ų | 52 | 100 Ų | 100 | 43% | 0.43 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65.4 | -46.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | A1485 L1486 L1492 E1493 | A1485-A1489 VanDerWaalsContact O-CB 3.31Å; A1485-A1489 WeakPolarHBondContact O-CB 3.5Å; A1485-A1489 PolarHBondContact O-N 3.06Å; L1486-A1489 PolarHBondContact O-N 3.26Å; A1489-L1492 WeakPolarHBondContact O-CB 3.06Å; A1489-L1492 PolarHBondContact O-N 3.18Å; A1489-E1493 WeakPolarHBondContact O-CB 3.43Å; A1489-E1493 PolarHBondContact O-N 2.89Å |
| 1490 | R | 91.6 | Very high | 90.4 | Very high | 168 Ų | 168 | 98.5 Ų | 98.5 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.3 | -44.3 | 173.3 | -77.6 | -177 | 178 | 166.4 | 0.7 | 112.6 | L1486 S1487 L1492 E1493 E1494 | L1486-R1490 WeakPolarHBondContact O-CB 3.34Å; L1486-R1490 WeakPolarHBondContact O-CG 3.33Å; L1486-R1490 PolarHBondContact O-N 2.87Å; S1487-R1490 PolarHBondContact O-N 3.47Å; R1490-L1492 PolarHBondContact O-N 3.46Å; R1490-E1493 CarbonylContact O-C 3.59Å; R1490-E1493 PolarHBondContact O-N 2.85Å; R1490-E1493 VanDerWaalsContact O-N 3.1Å; R1490-E1494 WeakPolarHBondContact O-CB 3.4Å; R1490-E1494 VanDerWaalsContact O-CG 3.31Å; R1490-E1494 WeakPolarHBondContact O-CG 3.43Å; R1490-E1494 PolarHBondContact O-N 3.33Å |
| 1491 | A | 91.1 | Very high | 90.3 | Very high | 51 Ų | 51 | 99.6 Ų | 99.6 | 42% | 0.421 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.5 | -28.4 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | S1487 A1495 | S1487-A1491 WeakPolarHBondContact O-CB 3.33Å; S1487-A1491 PolarHBondContact O-N 2.87Å; A1491-A1495 VanDerWaalsContact O-CB 3.24Å; A1491-A1495 WeakPolarHBondContact O-CB 3.44Å; A1491-A1495 PolarHBondContact O-N 3.49Å |
| 1492 | L | 91.2 | Very high | 90.1 | Very high | 109 Ų | 109 | 99 Ų | 99 | 57% | 0.571 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -75.8 | -40.2 | 171.2 | 179.4 | 63 | 0 | 0 | 0 | 111.9 | L1488 A1489 R1490 A1495 L1496 | L1488-L1492 WeakPolarHBondContact O-CB 3.28Å; L1488-L1492 PolarHBondContact O-N 3.05Å; A1489-L1492 WeakPolarHBondContact O-CB 3.06Å; A1489-L1492 PolarHBondContact O-N 3.18Å; R1490-L1492 PolarHBondContact O-N 3.46Å; L1492-A1495 PolarHBondContact O-N 2.97Å; L1492-L1496 HydrophobicContact CD1-CD1 4.42Å; L1492-L1496 HydrophobicContact CG-CD1 4.17Å; L1492-L1496 WeakPolarHBondContact O-CB 3.04Å; L1492-L1496 VanDerWaalsContact O-CG 3.26Å; L1492-L1496 WeakPolarHBondContact O-CG 3.29Å; L1492-L1496 PolarHBondContact O-N 3.49Å |
| 1493 | E | 90.1 | Very high | 90 | Very high | 121 Ų | 121 | 97.3 Ų | 97.3 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.4 | -48.8 | 177.5 | -167.9 | 164.2 | -135.9 | 0 | 0 | 111.2 | A1489 R1490 A1495 L1496 E1497 | A1489-E1493 WeakPolarHBondContact O-CB 3.43Å; A1489-E1493 PolarHBondContact O-N 2.89Å; R1490-E1493 CarbonylContact O-C 3.59Å; R1490-E1493 PolarHBondContact O-N 2.85Å; R1490-E1493 VanDerWaalsContact O-N 3.1Å; E1493-A1495 VanDerWaalsContact C-N 3.27Å; E1493-A1495 PolarHBondContact O-N 2.9Å; E1493-L1496 CarbonylContact O-C 3.56Å; E1493-L1496 WeakPolarHBondContact O-CA 3.04Å; E1493-L1496 WeakPolarHBondContact O-CB 3.25Å; E1493-L1496 PolarHBondContact O-N 3.38Å; E1493-E1497 PolarHBondContact O-N 2.94Å |
| 1494 | E | 89.4 | Confident | 89.9 | Confident | 126 Ų | 126 | 99.8 Ų | 99.8 | 59% | 0.589 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -55.3 | -39.9 | 170.4 | -71.9 | 170.8 | -170.4 | 0 | 0 | 111.8 | R1490 A1498 | R1490-E1494 WeakPolarHBondContact O-CB 3.4Å; R1490-E1494 VanDerWaalsContact O-CG 3.31Å; R1490-E1494 WeakPolarHBondContact O-CG 3.43Å; R1490-E1494 PolarHBondContact O-N 3.33Å; E1494-A1498 WeakPolarHBondContact O-CB 3.34Å; E1494-A1498 PolarHBondContact O-N 2.8Å |
| 1495 | A | 88.9 | Confident | 89.8 | Confident | 57 Ų | 57 | 96.6 Ų | 96.6 | 47% | 0.471 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -72.2 | -28 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | A1491 L1492 E1493 K1499 | A1491-A1495 VanDerWaalsContact O-CB 3.24Å; A1491-A1495 WeakPolarHBondContact O-CB 3.44Å; A1491-A1495 PolarHBondContact O-N 3.49Å; L1492-A1495 PolarHBondContact O-N 2.97Å; E1493-A1495 VanDerWaalsContact C-N 3.27Å; E1493-A1495 PolarHBondContact O-N 2.9Å; A1495-K1499 VanDerWaalsContact O-CB 3.26Å; A1495-K1499 WeakPolarHBondContact O-CB 3.37Å; A1495-K1499 PolarHBondContact O-N 3.34Å; A1495-K1499 VanDerWaalsContact O-N 3.11Å |
| 1496 | L | 92.2 | Very high | 89.6 | Confident | 94 Ų | 94 | 98.1 Ų | 98.1 | 49% | 0.492 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -78.5 | -40.8 | 173.7 | -74.3 | 168.6 | 0 | 0 | 0 | 111.5 | L1492 E1493 K1499 E1500 | L1492-L1496 HydrophobicContact CD1-CD1 4.42Å; L1492-L1496 HydrophobicContact CG-CD1 4.17Å; L1492-L1496 WeakPolarHBondContact O-CB 3.04Å; L1492-L1496 VanDerWaalsContact O-CG 3.26Å; L1492-L1496 WeakPolarHBondContact O-CG 3.29Å; L1492-L1496 PolarHBondContact O-N 3.49Å; E1493-L1496 CarbonylContact O-C 3.56Å; E1493-L1496 WeakPolarHBondContact O-CA 3.04Å; E1493-L1496 WeakPolarHBondContact O-CB 3.25Å; E1493-L1496 PolarHBondContact O-N 3.38Å; L1496-K1499 CarbonylContact O-C 3.55Å; L1496-K1499 WeakPolarHBondContact O-CB 3.46Å; L1496-K1499 PolarHBondContact O-N 3.4Å; L1496-E1500 PolarHBondContact O-N 3.29Å |
| 1497 | E | 90.4 | Very high | 89.4 | Confident | 126 Ų | 126 | 100 Ų | 100 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -46.8 | 172 | -72.4 | -162.7 | 135 | 0 | 0 | 111 | E1493 K1499 E1500 E1501 | E1493-E1497 PolarHBondContact O-N 2.94Å; E1497-K1499 VanDerWaalsContact C-N 3.26Å; E1497-K1499 PolarHBondContact O-N 3.21Å; E1497-E1500 CarbonylContact O-C 3.26Å; E1497-E1500 PolarHBondContact O-N 2.8Å; E1497-E1500 VanDerWaalsContact O-N 3.1Å; E1497-E1501 WeakPolarHBondContact O-CB 3.4Å; E1497-E1501 PolarHBondContact O-N 2.84Å |
| 1498 | A | 90 | Very high | 89.1 | Confident | 49 Ų | 49 | 101 Ų | 101 | 41% | 0.405 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.9 | -34.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | E1494 L1502 | E1494-A1498 WeakPolarHBondContact O-CB 3.34Å; E1494-A1498 PolarHBondContact O-N 2.8Å; A1498-L1502 WeakPolarHBondContact O-CB 3.32Å; A1498-L1502 VanDerWaalsContact O-CG 3.24Å; A1498-L1502 WeakPolarHBondContact O-CG 2.95Å; A1498-L1502 PolarHBondContact O-N 2.69Å |
| 1499 | K | 89.1 | Confident | 88.8 | Confident | 105 Ų | 105 | 99.2 Ų | 99.2 | 46% | 0.457 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -43.2 | 171.5 | 177.3 | -175.8 | 166.7 | -69 | 0 | 111.6 | A1495 L1496 E1497 L1502 E1503 | A1495-K1499 VanDerWaalsContact O-CB 3.26Å; A1495-K1499 WeakPolarHBondContact O-CB 3.37Å; A1495-K1499 PolarHBondContact O-N 3.34Å; A1495-K1499 VanDerWaalsContact O-N 3.11Å; L1496-K1499 CarbonylContact O-C 3.55Å; L1496-K1499 WeakPolarHBondContact O-CB 3.46Å; L1496-K1499 PolarHBondContact O-N 3.4Å; E1497-K1499 VanDerWaalsContact C-N 3.26Å; E1497-K1499 PolarHBondContact O-N 3.21Å; K1499-L1502 PolarHBondContact O-N 2.67Å; K1499-E1503 WeakPolarHBondContact CE-OE1 3.1Å; K1499-E1503 IonicContact NZ-OE1 3.71Å; K1499-E1503 PolarHBondContact NZ-OE1 2.72Å; K1499-E1503 IonicContact NZ-OE2 2.86Å; K1499-E1503 WeakPolarHBondContact O-CG 3.12Å; K1499-E1503 PolarHBondContact O-N 3.45Å |
| 1500 | E | 89.1 | Confident | 88.4 | Confident | 100 Ų | 100 | 103 Ų | 103 | 47% | 0.467 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -65 | -39 | 175.1 | -82.9 | -156.4 | -163.6 | 0 | 0 | 112.1 | L1496 E1497 E1503 R1504 | L1496-E1500 PolarHBondContact O-N 3.29Å; E1497-E1500 CarbonylContact O-C 3.26Å; E1497-E1500 PolarHBondContact O-N 2.8Å; E1497-E1500 VanDerWaalsContact O-N 3.1Å; E1500-E1503 CarbonylContact O-C 3.45Å; E1500-E1503 PolarHBondContact O-N 3.47Å; E1500-E1503 VanDerWaalsContact O-N 3.15Å; E1500-R1504 WeakPolarHBondContact O-CB 3.42Å; E1500-R1504 VanDerWaalsContact O-CG 3.22Å; E1500-R1504 WeakPolarHBondContact O-CG 3.36Å; E1500-R1504 PolarHBondContact O-N 2.61Å; E1500-R1504 IonicContact OE2-CZ 3.48Å; E1500-R1504 IonicContact OE2-NE 2.72Å; E1500-R1504 IonicContact OE2-NH2 3.46Å; E1500-R1504 PolarHBondContact OE2-NH2 2.63Å |
| 1501 | E | 88 | Confident | 88 | Confident | 123 Ų | 123 | 97 Ų | 97 | 58% | 0.575 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -67.8 | -38.6 | 176 | -172.9 | 167.4 | -144.7 | 0 | 0 | 111.2 | E1497 E1503 R1504 T1505 | E1497-E1501 WeakPolarHBondContact O-CB 3.4Å; E1497-E1501 PolarHBondContact O-N 2.84Å; E1501-E1503 VanDerWaalsContact C-N 3.32Å; E1501-E1503 PolarHBondContact O-N 3.31Å; E1501-R1504 PolarHBondContact O-N 2.75Å; E1501-T1505 HydrophobicContact CG-CG2 4.45Å; E1501-T1505 WeakPolarHBondContact O-CB 3.41Å; E1501-T1505 WeakPolarHBondContact O-CG2 3.46Å; E1501-T1505 PolarHBondContact O-N 3.16Å; E1501-T1505 PolarHBondContact O-OG1 2.77Å |
| 1502 | L | 86.4 | Confident | 87.4 | Confident | 110 Ų | 110 | 99 Ų | 99 | 58% | 0.576 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.6 | -37.8 | 167.6 | -76 | 168.7 | 0 | 0 | 0 | 112.1 | A1498 K1499 T1505 N1506 | A1498-L1502 WeakPolarHBondContact O-CB 3.32Å; A1498-L1502 VanDerWaalsContact O-CG 3.24Å; A1498-L1502 WeakPolarHBondContact O-CG 2.95Å; A1498-L1502 PolarHBondContact O-N 2.69Å; K1499-L1502 PolarHBondContact O-N 2.67Å; L1502-T1505 WeakPolarHBondContact CA-OG1 3.38Å; L1502-T1505 PolarHBondContact O-OG1 3.29Å; L1502-N1506 VanDerWaalsContact O-CB 3.26Å; L1502-N1506 WeakPolarHBondContact O-CB 3.21Å; L1502-N1506 PolarHBondContact O-N 2.61Å; L1502-N1506 PolarHBondContact O-ND2 2.76Å |
| 1503 | E | 88.8 | Confident | 86.7 | Confident | 83 Ų | 83 | 100 Ų | 100 | 39% | 0.388 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72.9 | -35.1 | 174.7 | -76.5 | -178 | -161.7 | 0 | 0 | 113.2 | K1499 E1500 E1501 K1507 | K1499-E1503 WeakPolarHBondContact CE-OE1 3.1Å; K1499-E1503 IonicContact NZ-OE1 3.71Å; K1499-E1503 PolarHBondContact NZ-OE1 2.72Å; K1499-E1503 IonicContact NZ-OE2 2.86Å; K1499-E1503 WeakPolarHBondContact O-CG 3.12Å; K1499-E1503 PolarHBondContact O-N 3.45Å; E1500-E1503 CarbonylContact O-C 3.45Å; E1500-E1503 PolarHBondContact O-N 3.47Å; E1500-E1503 VanDerWaalsContact O-N 3.15Å; E1501-E1503 VanDerWaalsContact C-N 3.32Å; E1501-E1503 PolarHBondContact O-N 3.31Å; E1503-K1507 WeakPolarHBondContact O-CB 3.45Å; E1503-K1507 VanDerWaalsContact O-CG 3.25Å; E1503-K1507 WeakPolarHBondContact O-CG 3.47Å; E1503-K1507 PolarHBondContact O-N 2.58Å |
| 1504 | R | 86.9 | Confident | 86.3 | Confident | 142 Ų | 142 | 100.8 Ų | 100.8 | 54% | 0.536 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.3 | -46.8 | 175.3 | -71.4 | 171.6 | -153.2 | 167 | 6.6 | 110.7 | E1500 E1501 K1507 M1508 | E1500-R1504 WeakPolarHBondContact O-CB 3.42Å; E1500-R1504 VanDerWaalsContact O-CG 3.22Å; E1500-R1504 WeakPolarHBondContact O-CG 3.36Å; E1500-R1504 PolarHBondContact O-N 2.61Å; E1500-R1504 IonicContact OE2-CZ 3.48Å; E1500-R1504 IonicContact OE2-NE 2.72Å; E1500-R1504 IonicContact OE2-NH2 3.46Å; E1500-R1504 PolarHBondContact OE2-NH2 2.63Å; E1501-R1504 PolarHBondContact O-N 2.75Å; R1504-K1507 CarbonylContact O-C 3.23Å; R1504-K1507 WeakPolarHBondContact O-CB 3.41Å; R1504-K1507 PolarHBondContact O-N 2.71Å; R1504-K1507 VanDerWaalsContact O-N 3.13Å; R1504-M1508 WeakPolarHBondContact O-CB 3.33Å; R1504-M1508 PolarHBondContact O-N 2.64Å |
| 1505 | T | 88.3 | Confident | 85.6 | Confident | 49 Ų | 49 | 99.8 Ų | 99.8 | 30% | 0.301 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.7 | -38.5 | 174.7 | 51.4 | 0 | 0 | 0 | 0 | 111.6 | E1501 L1502 K1507 M1508 L1509 | E1501-T1505 HydrophobicContact CG-CG2 4.45Å; E1501-T1505 WeakPolarHBondContact O-CB 3.41Å; E1501-T1505 WeakPolarHBondContact O-CG2 3.46Å; E1501-T1505 PolarHBondContact O-N 3.16Å; E1501-T1505 PolarHBondContact O-OG1 2.77Å; L1502-T1505 WeakPolarHBondContact CA-OG1 3.38Å; L1502-T1505 PolarHBondContact O-OG1 3.29Å; T1505-K1507 VanDerWaalsContact C-N 3.33Å; T1505-K1507 PolarHBondContact O-N 2.97Å; T1505-M1508 PolarHBondContact O-N 2.77Å; T1505-L1509 WeakPolarHBondContact O-CB 3.36Å; T1505-L1509 VanDerWaalsContact O-CG 3.26Å; T1505-L1509 WeakPolarHBondContact O-CG 3.45Å; T1505-L1509 PolarHBondContact O-N 3.23Å |
| 1506 | N | 84.9 | Confident | 84.7 | Confident | 90 Ų | 90 | 102.8 Ų | 102.8 | 48% | 0.481 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.3 | -30.1 | 171.3 | -87.3 | -86.6 | 0 | 0 | 0 | 113.4 | L1502 K1510 | L1502-N1506 VanDerWaalsContact O-CB 3.26Å; L1502-N1506 WeakPolarHBondContact O-CB 3.21Å; L1502-N1506 PolarHBondContact O-N 2.61Å; L1502-N1506 PolarHBondContact O-ND2 2.76Å; N1506-K1510 WeakPolarHBondContact O-CB 3.34Å; N1506-K1510 VanDerWaalsContact O-CG 3.25Å; N1506-K1510 WeakPolarHBondContact O-CG 3.03Å; N1506-K1510 PolarHBondContact O-N 2.65Å |
| 1507 | K | 86.7 | Confident | 83.8 | Confident | 139 Ų | 139 | 102.1 Ų | 102.1 | 60% | 0.604 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -73.2 | -41.9 | 171.1 | -76.2 | 165.9 | -176.6 | 167.3 | 0 | 111.5 | E1503 R1504 T1505 K1510 A1511 | E1503-K1507 WeakPolarHBondContact O-CB 3.45Å; E1503-K1507 VanDerWaalsContact O-CG 3.25Å; E1503-K1507 WeakPolarHBondContact O-CG 3.47Å; E1503-K1507 PolarHBondContact O-N 2.58Å; R1504-K1507 CarbonylContact O-C 3.23Å; R1504-K1507 WeakPolarHBondContact O-CB 3.41Å; R1504-K1507 PolarHBondContact O-N 2.71Å; R1504-K1507 VanDerWaalsContact O-N 3.13Å; T1505-K1507 VanDerWaalsContact C-N 3.33Å; T1505-K1507 PolarHBondContact O-N 2.97Å; K1507-K1510 WeakPolarHBondContact O-CB 3.48Å; K1507-K1510 PolarHBondContact O-N 3.14Å; K1507-A1511 PolarHBondContact O-N 3.19Å |
| 1508 | M | 86.2 | Confident | 82.7 | Confident | 99 Ų | 99 | 99.5 Ų | 99.5 | 49% | 0.488 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -51.3 | 177.1 | -170.3 | -170.5 | 88.7 | 0 | 0 | 110.8 | R1504 T1505 K1510 A1511 E1512 | R1504-M1508 WeakPolarHBondContact O-CB 3.33Å; R1504-M1508 PolarHBondContact O-N 2.64Å; T1505-M1508 PolarHBondContact O-N 2.77Å; M1508-K1510 PolarHBondContact O-N 2.7Å; M1508-A1511 CarbonylContact O-C 3.54Å; M1508-A1511 PolarHBondContact O-N 2.75Å; M1508-E1512 WeakPolarHBondContact O-CB 3.16Å; M1508-E1512 WeakPolarHBondContact O-CG 3.42Å; M1508-E1512 PolarHBondContact O-N 3.31Å |
| 1509 | L | 82.9 | Confident | 81.4 | Confident | 90 Ų | 90 | 100.9 Ų | 100.9 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -30.3 | 175.6 | -72 | 165.1 | 0 | 0 | 0 | 112.5 | T1505 M1513 | T1505-L1509 WeakPolarHBondContact O-CB 3.36Å; T1505-L1509 VanDerWaalsContact O-CG 3.26Å; T1505-L1509 WeakPolarHBondContact O-CG 3.45Å; T1505-L1509 PolarHBondContact O-N 3.23Å; L1509-M1513 WeakPolarHBondContact O-CB 3.11Å; L1509-M1513 WeakPolarHBondContact O-CG 3.44Å; L1509-M1513 PolarHBondContact O-N 2.99Å |
| 1510 | K | 85.1 | Confident | 79.9 | Confident | 131 Ų | 131 | 103.4 Ų | 103.4 | 57% | 0.57 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -72.6 | -44.7 | 171.8 | -79.1 | 175.9 | -179.3 | -176.3 | 0 | 112.4 | N1506 K1507 M1508 M1513 E1514 | N1506-K1510 WeakPolarHBondContact O-CB 3.34Å; N1506-K1510 VanDerWaalsContact O-CG 3.25Å; N1506-K1510 WeakPolarHBondContact O-CG 3.03Å; N1506-K1510 PolarHBondContact O-N 2.65Å; K1507-K1510 WeakPolarHBondContact O-CB 3.48Å; K1507-K1510 PolarHBondContact O-N 3.14Å; M1508-K1510 PolarHBondContact O-N 2.7Å; K1510-M1513 CarbonylContact O-C 3.51Å; K1510-M1513 PolarHBondContact O-N 2.71Å; K1510-E1514 WeakPolarHBondContact O-CB 2.9Å; K1510-E1514 WeakPolarHBondContact O-CG 3.33Å; K1510-E1514 PolarHBondContact O-N 3.47Å |
| 1511 | A | 82.6 | Confident | 78.4 | Confident | 44 Ų | 44 | 105 Ų | 105 | 36% | 0.364 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.9 | -47.4 | 174.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | K1507 M1508 M1513 E1514 D1515 | K1507-A1511 PolarHBondContact O-N 3.19Å; M1508-A1511 CarbonylContact O-C 3.54Å; M1508-A1511 PolarHBondContact O-N 2.75Å; A1511-M1513 VanDerWaalsContact C-N 3.3Å; A1511-M1513 PolarHBondContact O-N 2.76Å; A1511-E1514 CarbonylContact O-C 3.55Å; A1511-E1514 PolarHBondContact O-N 2.89Å; A1511-D1515 WeakPolarHBondContact O-CB 3.31Å; A1511-D1515 PolarHBondContact O-N 2.9Å |
| 1512 | E | 77.7 | Confident | 76.8 | Confident | 91 Ų | 91 | 104.1 Ų | 104.1 | 43% | 0.425 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -56.9 | -40.1 | 172 | -71.7 | 178.7 | 156 | 0 | 0 | 112.1 | M1508 L1516 | M1508-E1512 WeakPolarHBondContact O-CB 3.16Å; M1508-E1512 WeakPolarHBondContact O-CG 3.42Å; M1508-E1512 PolarHBondContact O-N 3.31Å; E1512-L1516 WeakPolarHBondContact O-CB 2.91Å; E1512-L1516 WeakPolarHBondContact O-CD1 3.42Å; E1512-L1516 WeakPolarHBondContact O-CG 3.31Å; E1512-L1516 PolarHBondContact O-N 3.08Å |
| 1513 | M | 77.4 | Confident | 75.2 | Confident | 130 Ų | 130 | 104.1 Ų | 104.1 | 64% | 0.64 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -69.1 | -35.7 | 174.3 | -78.7 | -174.6 | 73.6 | 0 | 0 | 113.2 | L1509 K1510 A1511 V1517 | L1509-M1513 WeakPolarHBondContact O-CB 3.11Å; L1509-M1513 WeakPolarHBondContact O-CG 3.44Å; L1509-M1513 PolarHBondContact O-N 2.99Å; K1510-M1513 CarbonylContact O-C 3.51Å; K1510-M1513 PolarHBondContact O-N 2.71Å; A1511-M1513 VanDerWaalsContact C-N 3.3Å; A1511-M1513 PolarHBondContact O-N 2.76Å; M1513-V1517 WeakPolarHBondContact O-CB 3.39Å; M1513-V1517 WeakPolarHBondContact O-CG2 3.13Å; M1513-V1517 PolarHBondContact O-N 2.94Å |
| 1514 | E | 80.2 | Confident | 73.2 | Confident | 139 Ų | 139 | 102.3 Ų | 102.3 | 65% | 0.65 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -71.9 | -40 | 176.3 | -74 | 172.2 | -169.4 | 0 | 0 | 111.3 | K1510 A1511 V1517 S1518 | K1510-E1514 WeakPolarHBondContact O-CB 2.9Å; K1510-E1514 WeakPolarHBondContact O-CG 3.33Å; K1510-E1514 PolarHBondContact O-N 3.47Å; A1511-E1514 CarbonylContact O-C 3.55Å; A1511-E1514 PolarHBondContact O-N 2.89Å; E1514-V1517 PolarHBondContact O-N 2.78Å; E1514-S1518 PolarHBondContact O-N 2.63Å |
| 1515 | D | 75 | Confident | 71.3 | Confident | 105 Ų | 105 | 103.9 Ų | 103.9 | 56% | 0.561 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -67.4 | -43.3 | 173.1 | -72.7 | -27.7 | 0 | 0 | 0 | 111.5 | A1511 V1517 S1518 S1519 | A1511-D1515 WeakPolarHBondContact O-CB 3.31Å; A1511-D1515 PolarHBondContact O-N 2.9Å; D1515-V1517 VanDerWaalsContact C-N 3.27Å; D1515-V1517 PolarHBondContact O-N 3.23Å; D1515-S1518 PolarHBondContact O-N 2.94Å; D1515-S1518 PolarHBondContact O-OG 3.46Å; D1515-S1518 VanDerWaalsContact O-OG 3.07Å; D1515-S1519 WeakPolarHBondContact O-CB 3Å; D1515-S1519 PolarHBondContact O-N 3.37Å |
| 1516 | L | 70.1 | Confident | 69.2 | Low | 119 Ų | 119 | 108 Ų | 108 | 62% | 0.623 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -66.3 | -26.9 | 173 | -75.1 | 168.8 | 0 | 0 | 0 | 112.9 | E1512 K1520 | E1512-L1516 WeakPolarHBondContact O-CB 2.91Å; E1512-L1516 WeakPolarHBondContact O-CD1 3.42Å; E1512-L1516 WeakPolarHBondContact O-CG 3.31Å; E1512-L1516 PolarHBondContact O-N 3.08Å; L1516-K1520 WeakPolarHBondContact O-CB 3.26Å; L1516-K1520 PolarHBondContact O-N 2.92Å |
| 1517 | V | 73.9 | Confident | 67.6 | Low | 81 Ų | 81 | 110 Ų | 110 | 49% | 0.491 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -75.2 | -46.7 | 171.7 | 163.6 | 0 | 0 | 0 | 0 | 110.7 | M1513 E1514 D1515 S1519 K1520 D1521 | M1513-V1517 WeakPolarHBondContact O-CB 3.39Å; M1513-V1517 WeakPolarHBondContact O-CG2 3.13Å; M1513-V1517 PolarHBondContact O-N 2.94Å; E1514-V1517 PolarHBondContact O-N 2.78Å; D1515-V1517 VanDerWaalsContact C-N 3.27Å; D1515-V1517 PolarHBondContact O-N 3.23Å; V1517-S1519 PolarHBondContact O-N 3.32Å; V1517-K1520 PolarHBondContact O-N 3.12Å; V1517-D1521 PolarHBondContact O-N 2.79Å |
| 1518 | S | 67.3 | Low | 65.8 | Low | 70 Ų | 70 | 111.5 Ų | 111.5 | 49% | 0.49 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -64.1 | -41.6 | 178.2 | 73.3 | 0 | 0 | 0 | 0 | 112.3 | E1514 D1515 K1520 D1521 D1522 | E1514-S1518 PolarHBondContact O-N 2.63Å; D1515-S1518 PolarHBondContact O-N 2.94Å; D1515-S1518 PolarHBondContact O-OG 3.46Å; D1515-S1518 VanDerWaalsContact O-OG 3.07Å; S1518-K1520 PolarHBondContact O-N 2.63Å; S1518-D1521 PolarHBondContact O-N 2.92Å; S1518-D1522 PolarHBondContact O-N 3.23Å |
| 1519 | S | 62.5 | Low | 64.2 | Low | 78 Ų | 78 | 109.9 Ų | 109.9 | 55% | 0.545 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -59.1 | -22.1 | 171.4 | -179 | 0 | 0 | 0 | 0 | 113.5 | D1515 V1517 V1523 | D1515-S1519 WeakPolarHBondContact O-CB 3Å; D1515-S1519 PolarHBondContact O-N 3.37Å; V1517-S1519 PolarHBondContact O-N 3.32Å; S1519-V1523 WeakPolarHBondContact O-CG2 3.39Å |
| 1520 | K | 58.8 | Low | 62.8 | Low | 159 Ų | 159 | 112.5 Ų | 112.5 | 69% | 0.691 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -99.5 | -31.9 | -178.8 | -175.1 | 176.6 | 179.1 | -179 | 0 | 113.6 | L1516 V1517 S1518 D1522 | L1516-K1520 WeakPolarHBondContact O-CB 3.26Å; L1516-K1520 PolarHBondContact O-N 2.92Å; V1517-K1520 PolarHBondContact O-N 3.12Å; S1518-K1520 PolarHBondContact O-N 2.63Å; K1520-D1522 VanDerWaalsContact C-N 3.33Å |
| 1521 | D | 56.5 | Low | 61.6 | Low | 132 Ų | 132 | 111.8 Ų | 111.8 | 71% | 0.706 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -73.5 | -23.4 | 177.8 | -82 | -12.7 | 0 | 0 | 0 | 112.8 | V1517 S1518 V1523 | V1517-D1521 PolarHBondContact O-N 2.79Å; S1518-D1521 PolarHBondContact O-N 2.92Å; D1521-V1523 PolarHBondContact O-N 2.81Å |
| 1522 | D | 53.9 | Low | 60.6 | Low | 105 Ų | 105 | 115 Ų | 115 | 56% | 0.561 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 12.6 | 177.7 | -157.5 | 34.3 | 0 | 0 | 0 | 114.1 | S1518 K1520 K1532 | S1518-D1522 PolarHBondContact O-N 3.23Å; K1520-D1522 VanDerWaalsContact C-N 3.33Å; D1522-K1532 IonicContact OD1-NZ 2.84Å; D1522-K1532 PolarHBondContact OD1-NZ 2.86Å; D1522-K1532 IonicContact OD2-NZ 3.74Å; D1522-K1532 PolarHBondContact OD2-NZ 3.49Å |
| 1523 | V | 53.3 | Low | 60 | Low | 111 Ų | 111 | 113.9 Ų | 113.9 | 67% | 0.673 | 61% | 0.606 | S | S | * | * | S | Bend | trans | -118.5 | 47.1 | -174.2 | -164.5 | 0 | 0 | 0 | 0 | 111.2 | S1519 D1521 | S1519-V1523 WeakPolarHBondContact O-CG2 3.39Å; D1521-V1523 PolarHBondContact O-N 2.81Å |
| 1524 | G | 46.5 | Very low | 59.6 | Low | 44 Ų | 44 | 113 Ų | 113 | 45% | 0.454 | 60% | 0.599 | S | S | . | * | trans | -163.3 | 51.3 | -164.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | E1529 | G1524-E1529 PolarHBondContact N-OE1 2.83Š| ||
| 1525 | K | 48.6 | Very low | 59.2 | Low | 176 Ų | 176 | 113.6 Ų | 113.6 | 77% | 0.765 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -167.7 | 111.4 | 146 | -91.4 | 127.5 | -156.6 | 156.7 | 0 | 114.7 | E1529 | K1525-E1529 PolarHBondContact N-OE1 2.71Š|
| 1526 | N | 43.9 | Very low | 59 | Low | 134 Ų | 134 | 111.1 Ų | 111.1 | 72% | 0.717 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 54.7 | 99 | 146.5 | -64.5 | -22.1 | 0 | 0 | 0 | 119.4 | H1528 E1529 | N1526-H1528 VanDerWaalsContact C-N 3.27Å; N1526-H1528 PolarHBondContact O-N 2.94Å; N1526-E1529 PolarHBondContact N-OE2 2.75Å |
| 1527 | V | 50 | Low | 59.1 | Low | 134 Ų | 134 | 110.1 Ų | 110.1 | 81% | 0.812 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 69.7 | -36.3 | 142.1 | -177.9 | 0 | 0 | 0 | 0 | 118 | ||
| 1528 | H | 50.3 | Low | 59.2 | Low | 170 Ų | 170 | 110.2 Ų | 110.2 | 79% | 0.787 | 58% | 0.579 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.9 | -4.9 | 169.2 | -92.8 | -19.5 | 0 | 0 | 0 | 113.2 | N1526 L1530 | N1526-H1528 VanDerWaalsContact C-N 3.27Å; N1526-H1528 PolarHBondContact O-N 2.94Å; H1528-L1530 VanDerWaalsContact C-N 3.3Å; H1528-L1530 PolarHBondContact O-N 3.21Å |
| 1529 | E | 52.3 | Low | 59.9 | Low | 64 Ų | 64 | 110.4 Ų | 110.4 | 30% | 0.299 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.7 | -20.7 | -176.1 | -64.5 | 170.4 | 120.1 | 0 | 0 | 113.7 | G1524 K1525 N1526 E1531 K1532 S1533 | G1524-E1529 PolarHBondContact N-OE1 2.83Å; K1525-E1529 PolarHBondContact N-OE1 2.71Å; N1526-E1529 PolarHBondContact N-OE2 2.75Å; E1529-E1531 PolarHBondContact O-N 2.74Å; E1529-K1532 PolarHBondContact O-N 3.43Å; E1529-K1532 VanDerWaalsContact O-N 3.1Å; E1529-S1533 VanDerWaalsContact O-CB 3.29Å; E1529-S1533 WeakPolarHBondContact O-CB 3.2Å; E1529-S1533 PolarHBondContact O-N 3.04Å |
| 1530 | L | 53.5 | Low | 60.6 | Low | 146 Ų | 146 | 112 Ų | 112 | 76% | 0.764 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -64.8 | -36.5 | -177.4 | -111.9 | 170.4 | 0 | 0 | 0 | 112.9 | H1528 K1534 | H1528-L1530 VanDerWaalsContact C-N 3.3Å; H1528-L1530 PolarHBondContact O-N 3.21Å; L1530-K1534 WeakPolarHBondContact O-CB 2.92Å; L1530-K1534 PolarHBondContact O-N 2.99Å |
| 1531 | E | 59 | Low | 61.5 | Low | 116 Ų | 116 | 109.5 Ų | 109.5 | 54% | 0.542 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -73.1 | -33 | 171.4 | -84.7 | -162.8 | 86.6 | 0 | 0 | 112.7 | E1529 R1535 | E1529-E1531 PolarHBondContact O-N 2.74Å; E1531-R1535 WeakPolarHBondContact O-CB 3.24Å; E1531-R1535 VanDerWaalsContact O-CG 3.23Å; E1531-R1535 WeakPolarHBondContact O-CG 3.47Å; E1531-R1535 PolarHBondContact O-N 3.03Å; E1531-R1535 IonicContact OE1-CZ 3.4Å; E1531-R1535 IonicContact OE1-NE 2.68Å; E1531-R1535 IonicContact OE1-NH2 3.34Å; E1531-R1535 PolarHBondContact OE1-NH2 2.99Å |
| 1532 | K | 62.9 | Low | 62.7 | Low | 112 Ų | 112 | 108.1 Ų | 108.1 | 49% | 0.487 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -71.2 | -46 | 179.5 | -157 | -165 | -174.7 | -156 | 0 | 111 | D1522 E1529 R1535 A1536 | D1522-K1532 IonicContact OD1-NZ 2.84Å; D1522-K1532 PolarHBondContact OD1-NZ 2.86Å; D1522-K1532 IonicContact OD2-NZ 3.74Å; D1522-K1532 PolarHBondContact OD2-NZ 3.49Å; E1529-K1532 PolarHBondContact O-N 3.43Å; E1529-K1532 VanDerWaalsContact O-N 3.1Å; K1532-R1535 PolarHBondContact O-N 2.88Å; K1532-A1536 PolarHBondContact O-N 3.38Å |
| 1533 | S | 63.5 | Low | 64.1 | Low | 67 Ų | 67 | 108.3 Ų | 108.3 | 47% | 0.469 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -65.7 | -41 | 173.7 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | E1529 A1536 L1537 | E1529-S1533 VanDerWaalsContact O-CB 3.29Å; E1529-S1533 WeakPolarHBondContact O-CB 3.2Å; E1529-S1533 PolarHBondContact O-N 3.04Å; S1533-A1536 PolarHBondContact O-N 2.96Å; S1533-L1537 WeakPolarHBondContact O-CB 3.02Å; S1533-L1537 PolarHBondContact O-N 2.83Å |
| 1534 | K | 70.3 | Confident | 65.5 | Low | 111 Ų | 111 | 108.2 Ų | 108.2 | 48% | 0.483 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -59.3 | -47.8 | 171.2 | -173.5 | -165.1 | 172.9 | -114.2 | 0 | 110.9 | L1530 A1536 L1537 E1538 | L1530-K1534 WeakPolarHBondContact O-CB 2.92Å; L1530-K1534 PolarHBondContact O-N 2.99Å; K1534-A1536 PolarHBondContact O-N 3.47Å; K1534-L1537 CarbonylContact O-C 3.48Å; K1534-L1537 PolarHBondContact O-N 3.45Å; K1534-E1538 WeakPolarHBondContact CE-OE1 3.3Å; K1534-E1538 WeakPolarHBondContact CE-OE2 3.45Å; K1534-E1538 HydrophobicContact CG-CG 4.31Å; K1534-E1538 IonicContact NZ-OE1 2.68Å; K1534-E1538 PolarHBondContact NZ-OE1 2.75Å; K1534-E1538 IonicContact NZ-OE2 3.85Å; K1534-E1538 PolarHBondContact NZ-OE2 3.07Å; K1534-E1538 WeakPolarHBondContact O-CB 3.36Å; K1534-E1538 VanDerWaalsContact O-CG 3.31Å; K1534-E1538 WeakPolarHBondContact O-CG 3.38Å; K1534-E1538 PolarHBondContact O-N 3Å |
| 1535 | R | 71.7 | Confident | 67.3 | Low | 152 Ų | 152 | 110.1 Ų | 110.1 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -63.1 | -38.7 | 177.8 | -73.6 | 175.1 | -158.6 | -176.6 | 9.1 | 112.5 | E1531 K1532 E1538 T1539 | E1531-R1535 WeakPolarHBondContact O-CB 3.24Å; E1531-R1535 VanDerWaalsContact O-CG 3.23Å; E1531-R1535 WeakPolarHBondContact O-CG 3.47Å; E1531-R1535 PolarHBondContact O-N 3.03Å; E1531-R1535 IonicContact OE1-CZ 3.4Å; E1531-R1535 IonicContact OE1-NE 2.68Å; E1531-R1535 IonicContact OE1-NH2 3.34Å; E1531-R1535 PolarHBondContact OE1-NH2 2.99Å; K1532-R1535 PolarHBondContact O-N 2.88Å; R1535-E1538 PolarHBondContact O-N 3.38Å; R1535-T1539 PolarHBondContact O-N 3.11Å; R1535-T1539 PolarHBondContact O-OG1 3.13Å; R1535-T1539 VanDerWaalsContact O-OG1 3.09Å |
| 1536 | A | 70 | Confident | 69.2 | Low | 52 Ų | 52 | 104.7 Ų | 104.7 | 43% | 0.43 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.8 | -40.9 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | K1532 S1533 K1534 T1539 Q1540 | K1532-A1536 PolarHBondContact O-N 3.38Å; S1533-A1536 PolarHBondContact O-N 2.96Å; K1534-A1536 PolarHBondContact O-N 3.47Å; A1536-T1539 PolarHBondContact O-N 2.98Å; A1536-Q1540 WeakPolarHBondContact O-CG 3.09Å; A1536-Q1540 PolarHBondContact O-N 2.98Å |
| 1537 | L | 72.4 | Confident | 71.2 | Confident | 99 Ų | 99 | 103.2 Ų | 103.2 | 52% | 0.518 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.1 | -32.1 | 172.6 | -79.9 | 165.9 | 0 | 0 | 0 | 112.9 | S1533 K1534 M1541 | S1533-L1537 WeakPolarHBondContact O-CB 3.02Å; S1533-L1537 PolarHBondContact O-N 2.83Å; K1534-L1537 CarbonylContact O-C 3.48Å; K1534-L1537 PolarHBondContact O-N 3.45Å; L1537-M1541 WeakPolarHBondContact O-CB 3.15Å; L1537-M1541 PolarHBondContact O-N 3.19Å |
| 1538 | E | 77 | Confident | 72.9 | Confident | 82 Ų | 82 | 101.4 Ų | 101.4 | 38% | 0.383 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.6 | -42.1 | 172.5 | -74.1 | 176.5 | 131.5 | 0 | 0 | 110.4 | K1534 R1535 M1541 E1542 | K1534-E1538 WeakPolarHBondContact CE-OE1 3.3Å; K1534-E1538 WeakPolarHBondContact CE-OE2 3.45Å; K1534-E1538 HydrophobicContact CG-CG 4.31Å; K1534-E1538 IonicContact NZ-OE1 2.68Å; K1534-E1538 PolarHBondContact NZ-OE1 2.75Å; K1534-E1538 IonicContact NZ-OE2 3.85Å; K1534-E1538 PolarHBondContact NZ-OE2 3.07Å; K1534-E1538 WeakPolarHBondContact O-CB 3.36Å; K1534-E1538 VanDerWaalsContact O-CG 3.31Å; K1534-E1538 WeakPolarHBondContact O-CG 3.38Å; K1534-E1538 PolarHBondContact O-N 3Å; R1535-E1538 PolarHBondContact O-N 3.38Å; E1538-M1541 PolarHBondContact O-N 3.28Å; E1538-E1542 WeakPolarHBondContact O-CB 3.23Å; E1538-E1542 PolarHBondContact O-N 2.99Å |
| 1539 | T | 81.2 | Confident | 74.6 | Confident | 75 Ų | 75 | 99.1 Ų | 99.1 | 46% | 0.46 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -60.9 | -51.6 | 171.3 | -58.4 | 0 | 0 | 0 | 0 | 111.5 | R1535 A1536 M1541 E1542 E1543 | R1535-T1539 PolarHBondContact O-N 3.11Å; R1535-T1539 PolarHBondContact O-OG1 3.13Å; R1535-T1539 VanDerWaalsContact O-OG1 3.09Å; A1536-T1539 PolarHBondContact O-N 2.98Å; T1539-M1541 VanDerWaalsContact C-N 3.3Å; T1539-M1541 PolarHBondContact O-N 3.42Å; T1539-E1542 PolarHBondContact O-N 3.22Å; T1539-E1542 VanDerWaalsContact O-N 3.1Å; T1539-E1543 HydrophobicContact CG2-CG 4.38Å; T1539-E1543 WeakPolarHBondContact CG2-OE1 3.38Å; T1539-E1543 WeakPolarHBondContact O-CG 3.39Å; T1539-E1543 PolarHBondContact O-N 3.38Å |
| 1540 | Q | 76.9 | Confident | 76.4 | Confident | 112 Ų | 112 | 101.6 Ų | 101.6 | 52% | 0.523 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.1 | -34.7 | 178.4 | -75.8 | -175 | -28.7 | 0 | 0 | 112.8 | A1536 M1544 | A1536-Q1540 WeakPolarHBondContact O-CG 3.09Å; A1536-Q1540 PolarHBondContact O-N 2.98Å; Q1540-M1544 VanDerWaalsContact O-CB 3.3Å; Q1540-M1544 WeakPolarHBondContact O-CB 3.38Å; Q1540-M1544 WeakPolarHBondContact O-CG 3.49Å; Q1540-M1544 PolarHBondContact O-N 3.41Å |
| 1541 | M | 77.1 | Confident | 78.1 | Confident | 106 Ų | 106 | 99.7 Ų | 99.7 | 52% | 0.522 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.3 | -36.8 | 174.2 | -168.3 | -162.5 | -45.6 | 0 | 0 | 111.3 | L1537 E1538 T1539 K1545 | L1537-M1541 WeakPolarHBondContact O-CB 3.15Å; L1537-M1541 PolarHBondContact O-N 3.19Å; E1538-M1541 PolarHBondContact O-N 3.28Å; T1539-M1541 VanDerWaalsContact C-N 3.3Å; T1539-M1541 PolarHBondContact O-N 3.42Å; M1541-K1545 VanDerWaalsContact O-CG 3.29Å; M1541-K1545 WeakPolarHBondContact O-CG 3.41Å; M1541-K1545 PolarHBondContact O-N 2.82Å |
| 1542 | E | 83.4 | Confident | 79.5 | Confident | 103 Ų | 103 | 100.5 Ų | 100.5 | 48% | 0.481 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -69.4 | -44.2 | 175.2 | -151.6 | 77 | 157.7 | 0 | 0 | 111 | E1538 T1539 M1544 K1545 T1546 | E1538-E1542 WeakPolarHBondContact O-CB 3.23Å; E1538-E1542 PolarHBondContact O-N 2.99Å; T1539-E1542 PolarHBondContact O-N 3.22Å; T1539-E1542 VanDerWaalsContact O-N 3.1Å; E1542-M1544 VanDerWaalsContact C-N 3.34Å; E1542-M1544 PolarHBondContact O-N 2.83Å; E1542-K1545 CarbonylContact O-C 3.57Å; E1542-K1545 WeakPolarHBondContact O-CB 3.32Å; E1542-K1545 PolarHBondContact O-N 3.21Å; E1542-K1545 VanDerWaalsContact O-N 3.09Å; E1542-K1545 IonicContact OE2-NZ 3.68Å; E1542-K1545 PolarHBondContact OE2-NZ 3.5Å; E1542-T1546 PolarHBondContact O-N 2.89Å; E1542-T1546 PolarHBondContact O-OG1 3.06Å; E1542-T1546 VanDerWaalsContact O-OG1 3.06Å |
| 1543 | E | 82.5 | Confident | 80.7 | Confident | 108 Ų | 108 | 101 Ų | 101 | 51% | 0.505 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.1 | -45.1 | 172.8 | -71.6 | 167.6 | 170.9 | 0 | 0 | 111.6 | T1539 K1545 T1546 Q1547 | T1539-E1543 HydrophobicContact CG2-CG 4.38Å; T1539-E1543 WeakPolarHBondContact CG2-OE1 3.38Å; T1539-E1543 WeakPolarHBondContact O-CG 3.39Å; T1539-E1543 PolarHBondContact O-N 3.38Å; E1543-K1545 VanDerWaalsContact C-N 3.35Å; E1543-K1545 PolarHBondContact O-N 3.49Å; E1543-T1546 PolarHBondContact O-N 3.33Å; E1543-Q1547 WeakPolarHBondContact O-CG 3.36Å; E1543-Q1547 PolarHBondContact O-N 2.97Å |
| 1544 | M | 82.8 | Confident | 82 | Confident | 109 Ų | 109 | 104.2 Ų | 104.2 | 54% | 0.537 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68 | -29.3 | 175.4 | -73.8 | -67.6 | -53.7 | 0 | 0 | 113.3 | Q1540 E1542 L1548 | Q1540-M1544 VanDerWaalsContact O-CB 3.3Å; Q1540-M1544 WeakPolarHBondContact O-CB 3.38Å; Q1540-M1544 WeakPolarHBondContact O-CG 3.49Å; Q1540-M1544 PolarHBondContact O-N 3.41Å; E1542-M1544 VanDerWaalsContact C-N 3.34Å; E1542-M1544 PolarHBondContact O-N 2.83Å; M1544-L1548 WeakPolarHBondContact O-CB 3.46Å; M1544-L1548 WeakPolarHBondContact O-CG 3.27Å; M1544-L1548 PolarHBondContact O-N 2.81Å; M1544-L1548 VanDerWaalsContact O-N 3.11Å |
| 1545 | K | 84.9 | Confident | 83 | Confident | 85 Ų | 85 | 103.9 Ų | 103.9 | 37% | 0.37 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.5 | -46.8 | 170.2 | -75.7 | 174.9 | -153.4 | 157.9 | 0 | 110.9 | M1541 E1542 E1543 Q1547 L1548 E1549 | M1541-K1545 VanDerWaalsContact O-CG 3.29Å; M1541-K1545 WeakPolarHBondContact O-CG 3.41Å; M1541-K1545 PolarHBondContact O-N 2.82Å; E1542-K1545 CarbonylContact O-C 3.57Å; E1542-K1545 WeakPolarHBondContact O-CB 3.32Å; E1542-K1545 PolarHBondContact O-N 3.21Å; E1542-K1545 VanDerWaalsContact O-N 3.09Å; E1542-K1545 IonicContact OE2-NZ 3.68Å; E1542-K1545 PolarHBondContact OE2-NZ 3.5Å; E1543-K1545 VanDerWaalsContact C-N 3.35Å; E1543-K1545 PolarHBondContact O-N 3.49Å; K1545-Q1547 VanDerWaalsContact C-N 3.26Å; K1545-Q1547 PolarHBondContact O-N 2.67Å; K1545-L1548 CarbonylContact O-C 3.55Å; K1545-L1548 WeakPolarHBondContact O-CA 3.43Å; K1545-L1548 PolarHBondContact O-N 3.42Å; K1545-E1549 WeakPolarHBondContact O-CB 3.47Å; K1545-E1549 WeakPolarHBondContact O-CG 3.44Å; K1545-E1549 PolarHBondContact O-N 3.13Å |
| 1546 | T | 87.4 | Confident | 83.9 | Confident | 62 Ų | 62 | 101.3 Ų | 101.3 | 38% | 0.38 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58 | -42.3 | 177.9 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | E1542 E1543 L1548 E1549 E1550 | E1542-T1546 PolarHBondContact O-N 2.89Å; E1542-T1546 PolarHBondContact O-OG1 3.06Å; E1542-T1546 VanDerWaalsContact O-OG1 3.06Å; E1543-T1546 PolarHBondContact O-N 3.33Å; T1546-L1548 PolarHBondContact O-N 2.87Å; T1546-E1549 PolarHBondContact O-N 3.33Å; T1546-E1550 HydrophobicContact CG2-CG 4.4Å; T1546-E1550 VanDerWaalsContact O-CB 3.27Å; T1546-E1550 WeakPolarHBondContact O-CB 3.25Å; T1546-E1550 WeakPolarHBondContact O-CG 3.45Å; T1546-E1550 PolarHBondContact O-N 3Å |
| 1547 | Q | 87.4 | Confident | 84.9 | Confident | 103 Ų | 103 | 101.7 Ų | 101.7 | 48% | 0.481 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65 | -35 | 172.9 | -72.2 | 176.5 | 9.4 | 0 | 0 | 113.6 | E1543 K1545 L1551 | E1543-Q1547 WeakPolarHBondContact O-CG 3.36Å; E1543-Q1547 PolarHBondContact O-N 2.97Å; K1545-Q1547 VanDerWaalsContact C-N 3.26Å; K1545-Q1547 PolarHBondContact O-N 2.67Å; Q1547-L1551 VanDerWaalsContact O-CB 3.28Å; Q1547-L1551 WeakPolarHBondContact O-CB 3.39Å; Q1547-L1551 WeakPolarHBondContact O-CD1 3.31Å; Q1547-L1551 WeakPolarHBondContact O-CG 3.25Å; Q1547-L1551 PolarHBondContact O-N 2.93Å |
| 1548 | L | 84.9 | Confident | 85.8 | Confident | 96 Ų | 96 | 101.4 Ų | 101.4 | 50% | 0.503 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -71.8 | -40.4 | 174.4 | -79.9 | 168.7 | 0 | 0 | 0 | 112.2 | M1544 K1545 T1546 L1551 E1552 | M1544-L1548 WeakPolarHBondContact O-CB 3.46Å; M1544-L1548 WeakPolarHBondContact O-CG 3.27Å; M1544-L1548 PolarHBondContact O-N 2.81Å; M1544-L1548 VanDerWaalsContact O-N 3.11Å; K1545-L1548 CarbonylContact O-C 3.55Å; K1545-L1548 WeakPolarHBondContact O-CA 3.43Å; K1545-L1548 PolarHBondContact O-N 3.42Å; T1546-L1548 PolarHBondContact O-N 2.87Å; L1548-L1551 PolarHBondContact O-N 3.28Å; L1548-E1552 WeakPolarHBondContact O-CB 3.37Å; L1548-E1552 WeakPolarHBondContact O-CG 3.49Å; L1548-E1552 PolarHBondContact O-N 2.92Å |
| 1549 | E | 86.7 | Confident | 86.5 | Confident | 121 Ų | 121 | 102.6 Ų | 102.6 | 57% | 0.565 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.1 | -42.9 | 175.4 | -71.5 | 174.1 | -179.7 | 0 | 0 | 110.5 | K1545 T1546 E1552 D1553 | K1545-E1549 WeakPolarHBondContact O-CB 3.47Å; K1545-E1549 WeakPolarHBondContact O-CG 3.44Å; K1545-E1549 PolarHBondContact O-N 3.13Å; T1546-E1549 PolarHBondContact O-N 3.33Å; E1549-E1552 PolarHBondContact O-N 3Å; E1549-D1553 WeakPolarHBondContact O-CB 3.39Å; E1549-D1553 PolarHBondContact O-N 3.5Å |
| 1550 | E | 88.5 | Confident | 87.1 | Confident | 116 Ų | 116 | 101.6 Ų | 101.6 | 54% | 0.542 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.7 | -43.3 | 172 | -75.6 | 172.5 | 166.9 | 0 | 0 | 111.9 | T1546 E1554 | T1546-E1550 HydrophobicContact CG2-CG 4.4Å; T1546-E1550 VanDerWaalsContact O-CB 3.27Å; T1546-E1550 WeakPolarHBondContact O-CB 3.25Å; T1546-E1550 WeakPolarHBondContact O-CG 3.45Å; T1546-E1550 PolarHBondContact O-N 3Å; E1550-E1554 WeakPolarHBondContact O-CB 3.41Å; E1550-E1554 WeakPolarHBondContact O-CG 3.41Å; E1550-E1554 PolarHBondContact O-N 3.3Å |
| 1551 | L | 88.8 | Confident | 87.8 | Confident | 106 Ų | 106 | 99.1 Ų | 99.1 | 56% | 0.555 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -71.5 | -33.9 | 177 | -75.4 | 170 | 0 | 0 | 0 | 113.3 | Q1547 L1548 L1555 | Q1547-L1551 VanDerWaalsContact O-CB 3.28Å; Q1547-L1551 WeakPolarHBondContact O-CB 3.39Å; Q1547-L1551 WeakPolarHBondContact O-CD1 3.31Å; Q1547-L1551 WeakPolarHBondContact O-CG 3.25Å; Q1547-L1551 PolarHBondContact O-N 2.93Å; L1548-L1551 PolarHBondContact O-N 3.28Å; L1551-L1555 WeakPolarHBondContact O-CB 3.22Å; L1551-L1555 PolarHBondContact O-N 2.89Å |
| 1552 | E | 88.3 | Confident | 88.6 | Confident | 133 Ų | 133 | 99.3 Ų | 99.3 | 62% | 0.621 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -71.7 | -38.5 | 174.1 | -76.1 | -174.4 | 179.3 | 0 | 0 | 111.1 | L1548 E1549 L1555 Q1556 | L1548-E1552 WeakPolarHBondContact O-CB 3.37Å; L1548-E1552 WeakPolarHBondContact O-CG 3.49Å; L1548-E1552 PolarHBondContact O-N 2.92Å; E1549-E1552 PolarHBondContact O-N 3Å; E1552-L1555 PolarHBondContact O-N 3.45Å; E1552-Q1556 WeakPolarHBondContact O-CB 3.41Å; E1552-Q1556 PolarHBondContact O-N 3.25Å |
| 1553 | D | 90.1 | Very high | 89 | Confident | 122 Ų | 122 | 99.1 Ų | 99.1 | 65% | 0.652 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.5 | -42.9 | 172.3 | -91.5 | -10.2 | 0 | 0 | 0 | 112.1 | E1549 Q1556 A1557 | E1549-D1553 WeakPolarHBondContact O-CB 3.39Å; E1549-D1553 PolarHBondContact O-N 3.5Å; D1553-Q1556 PolarHBondContact O-N 3.46Å; D1553-A1557 WeakPolarHBondContact O-CB 3.33Å; D1553-A1557 PolarHBondContact O-N 3.47Å |
| 1554 | E | 89.7 | Confident | 89.5 | Confident | 135 Ų | 135 | 102.4 Ų | 102.4 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.8 | -41.6 | 173.7 | -80.9 | -161.8 | 161.1 | 0 | 0 | 111.8 | E1550 T1558 | E1550-E1554 WeakPolarHBondContact O-CB 3.41Å; E1550-E1554 WeakPolarHBondContact O-CG 3.41Å; E1550-E1554 PolarHBondContact O-N 3.3Å; E1554-T1558 VanDerWaalsContact O-CB 3.27Å; E1554-T1558 WeakPolarHBondContact O-CB 3.13Å; E1554-T1558 PolarHBondContact O-N 3.49Å; E1554-T1558 PolarHBondContact O-OG1 3.39Å |
| 1555 | L | 90.8 | Very high | 89.9 | Confident | 104 Ų | 104 | 102.8 Ų | 102.8 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -65 | -48.6 | 175.8 | 178.3 | 60.3 | 0 | 0 | 0 | 111 | L1551 E1552 A1557 T1558 E1559 | L1551-L1555 WeakPolarHBondContact O-CB 3.22Å; L1551-L1555 PolarHBondContact O-N 2.89Å; E1552-L1555 PolarHBondContact O-N 3.45Å; L1555-A1557 PolarHBondContact O-N 2.81Å; L1555-T1558 CarbonylContact O-C 3.53Å; L1555-T1558 WeakPolarHBondContact O-CB 3.32Å; L1555-T1558 PolarHBondContact O-N 2.91Å; L1555-T1558 VanDerWaalsContact O-N 3.14Å; L1555-E1559 HydrophobicContact CD1-CG 4.11Å; L1555-E1559 HydrophobicContact CG-CG 4.44Å; L1555-E1559 WeakPolarHBondContact O-CG 3.24Å; L1555-E1559 PolarHBondContact O-N 3.17Å |
| 1556 | Q | 91.8 | Very high | 90.2 | Very high | 99 Ų | 99 | 103.3 Ų | 103.3 | 46% | 0.463 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -44.6 | 178.8 | 177.8 | 58 | 49.1 | 0 | 0 | 111.2 | E1552 D1553 T1558 E1559 D1560 | E1552-Q1556 WeakPolarHBondContact O-CB 3.41Å; E1552-Q1556 PolarHBondContact O-N 3.25Å; D1553-Q1556 PolarHBondContact O-N 3.46Å; Q1556-T1558 VanDerWaalsContact C-N 3.28Å; Q1556-T1558 PolarHBondContact O-N 2.75Å; Q1556-E1559 PolarHBondContact O-N 3.07Å; Q1556-D1560 PolarHBondContact NE2-OD2 3.38Å; Q1556-D1560 WeakPolarHBondContact O-CB 3.22Å; Q1556-D1560 PolarHBondContact O-N 2.88Å |
| 1557 | A | 91 | Very high | 90.4 | Very high | 60 Ų | 60 | 104.5 Ų | 104.5 | 50% | 0.496 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.4 | -37.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1553 L1555 A1561 | D1553-A1557 WeakPolarHBondContact O-CB 3.33Å; D1553-A1557 PolarHBondContact O-N 3.47Å; L1555-A1557 PolarHBondContact O-N 2.81Å; A1557-A1561 VanDerWaalsContact O-CB 3.24Å; A1557-A1561 WeakPolarHBondContact O-CB 3.3Å; A1557-A1561 PolarHBondContact O-N 3.33Å |
| 1558 | T | 91.2 | Very high | 90.7 | Very high | 92 Ų | 92 | 104 Ų | 104 | 56% | 0.564 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -71.4 | -41.2 | 176.6 | -60.4 | 0 | 0 | 0 | 0 | 112.2 | E1554 L1555 Q1556 A1561 K1562 | E1554-T1558 VanDerWaalsContact O-CB 3.27Å; E1554-T1558 WeakPolarHBondContact O-CB 3.13Å; E1554-T1558 PolarHBondContact O-N 3.49Å; E1554-T1558 PolarHBondContact O-OG1 3.39Å; L1555-T1558 CarbonylContact O-C 3.53Å; L1555-T1558 WeakPolarHBondContact O-CB 3.32Å; L1555-T1558 PolarHBondContact O-N 2.91Å; L1555-T1558 VanDerWaalsContact O-N 3.14Å; Q1556-T1558 VanDerWaalsContact C-N 3.28Å; Q1556-T1558 PolarHBondContact O-N 2.75Å; T1558-A1561 PolarHBondContact O-N 2.97Å; T1558-K1562 VanDerWaalsContact O-CB 3.3Å; T1558-K1562 WeakPolarHBondContact O-CB 3.41Å; T1558-K1562 PolarHBondContact O-N 2.98Å |
| 1559 | E | 92.1 | Very high | 90.9 | Very high | 108 Ų | 108 | 103.4 Ų | 103.4 | 51% | 0.505 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -66.8 | -41.2 | 175.1 | -67.3 | -133.9 | 126.8 | 0 | 0 | 111.5 | L1555 Q1556 K1562 L1563 | L1555-E1559 HydrophobicContact CD1-CG 4.11Å; L1555-E1559 HydrophobicContact CG-CG 4.44Å; L1555-E1559 WeakPolarHBondContact O-CG 3.24Å; L1555-E1559 PolarHBondContact O-N 3.17Å; Q1556-E1559 PolarHBondContact O-N 3.07Å; E1559-K1562 PolarHBondContact O-N 3.33Å; E1559-L1563 VanDerWaalsContact O-CB 3.31Å; E1559-L1563 WeakPolarHBondContact O-CB 3.18Å; E1559-L1563 PolarHBondContact O-N 2.83Å |
| 1560 | D | 92.5 | Very high | 91 | Very high | 54 Ų | 54 | 104.5 Ų | 104.5 | 29% | 0.289 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.1 | -42.9 | 173.3 | -91.8 | -40.8 | 0 | 0 | 0 | 112.2 | Q1556 K1562 L1563 R1564 | Q1556-D1560 PolarHBondContact NE2-OD2 3.38Å; Q1556-D1560 WeakPolarHBondContact O-CB 3.22Å; Q1556-D1560 PolarHBondContact O-N 2.88Å; D1560-K1562 VanDerWaalsContact C-N 3.34Å; D1560-K1562 PolarHBondContact O-N 3Å; D1560-L1563 PolarHBondContact O-N 3.31Å; D1560-R1564 WeakPolarHBondContact O-CB 3.13Å; D1560-R1564 WeakPolarHBondContact O-CD 3.5Å; D1560-R1564 WeakPolarHBondContact O-CG 3.15Å; D1560-R1564 PolarHBondContact O-N 3.26Å |
| 1561 | A | 92.8 | Very high | 91.2 | Very high | 59 Ų | 59 | 101.8 Ų | 101.8 | 49% | 0.488 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -61.7 | -43.5 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | A1557 T1558 L1565 | A1557-A1561 VanDerWaalsContact O-CB 3.24Å; A1557-A1561 WeakPolarHBondContact O-CB 3.3Å; A1557-A1561 PolarHBondContact O-N 3.33Å; T1558-A1561 PolarHBondContact O-N 2.97Å; A1561-L1565 WeakPolarHBondContact O-CB 3.32Å; A1561-L1565 PolarHBondContact O-N 3.32Å |
| 1562 | K | 92.6 | Very high | 91.3 | Very high | 111 Ų | 111 | 101.5 Ų | 101.5 | 48% | 0.483 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63 | -46.8 | 174.4 | 175.3 | -170.1 | 162.4 | -156.1 | 0 | 111.8 | T1558 E1559 D1560 R1564 L1565 E1566 | T1558-K1562 VanDerWaalsContact O-CB 3.3Å; T1558-K1562 WeakPolarHBondContact O-CB 3.41Å; T1558-K1562 PolarHBondContact O-N 2.98Å; E1559-K1562 PolarHBondContact O-N 3.33Å; D1560-K1562 VanDerWaalsContact C-N 3.34Å; D1560-K1562 PolarHBondContact O-N 3Å; K1562-R1564 PolarHBondContact O-N 3.2Å; K1562-L1565 CarbonylContact O-C 3.59Å; K1562-L1565 PolarHBondContact O-N 3.15Å; K1562-L1565 VanDerWaalsContact O-N 3.14Å; K1562-E1566 WeakPolarHBondContact CE-OE1 3.23Å; K1562-E1566 PolarHBondContact O-N 3.25Å |
| 1563 | L | 92.6 | Very high | 91.4 | Very high | 99 Ų | 99 | 100.4 Ų | 100.4 | 52% | 0.518 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.8 | -43.4 | -180 | -177.8 | 62.7 | 0 | 0 | 0 | 111.2 | E1559 D1560 L1565 E1566 V1567 | E1559-L1563 VanDerWaalsContact O-CB 3.31Å; E1559-L1563 WeakPolarHBondContact O-CB 3.18Å; E1559-L1563 PolarHBondContact O-N 2.83Å; D1560-L1563 PolarHBondContact O-N 3.31Å; L1563-L1565 VanDerWaalsContact C-N 3.3Å; L1563-L1565 PolarHBondContact O-N 3.45Å; L1563-E1566 PolarHBondContact O-N 2.92Å; L1563-V1567 HydrophobicContact CD1-CG2 4.35Å; L1563-V1567 WeakPolarHBondContact O-CB 3.17Å; L1563-V1567 VanDerWaalsContact O-CG2 3.31Å; L1563-V1567 WeakPolarHBondContact O-CG2 3.33Å; L1563-V1567 PolarHBondContact O-N 2.98Å |
| 1564 | R | 92.2 | Very high | 91.4 | Very high | 177 Ų | 177 | 95.9 Ų | 95.9 | 67% | 0.668 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -58.8 | -40.9 | 172.8 | -69.7 | 166.7 | -161.8 | -168.5 | 8.6 | 111.6 | D1560 K1562 N1568 | D1560-R1564 WeakPolarHBondContact O-CB 3.13Å; D1560-R1564 WeakPolarHBondContact O-CD 3.5Å; D1560-R1564 WeakPolarHBondContact O-CG 3.15Å; D1560-R1564 PolarHBondContact O-N 3.26Å; K1562-R1564 PolarHBondContact O-N 3.2Å; R1564-N1568 WeakPolarHBondContact O-CB 3.14Å; R1564-N1568 PolarHBondContact O-N 3.1Å |
| 1565 | L | 91 | Very high | 91.6 | Very high | 117 Ų | 117 | 94 Ų | 94 | 61% | 0.613 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -70.1 | -40.2 | 177.7 | -172.2 | 148.7 | 0 | 0 | 0 | 112.5 | A1561 K1562 L1563 M1569 | A1561-L1565 WeakPolarHBondContact O-CB 3.32Å; A1561-L1565 PolarHBondContact O-N 3.32Å; K1562-L1565 CarbonylContact O-C 3.59Å; K1562-L1565 PolarHBondContact O-N 3.15Å; K1562-L1565 VanDerWaalsContact O-N 3.14Å; L1563-L1565 VanDerWaalsContact C-N 3.3Å; L1563-L1565 PolarHBondContact O-N 3.45Å; L1565-M1569 VanDerWaalsContact O-CB 3.29Å; L1565-M1569 WeakPolarHBondContact O-CB 3.31Å; L1565-M1569 PolarHBondContact O-N 3.3Å |
| 1566 | E | 91.1 | Very high | 91.6 | Very high | 95 Ų | 95 | 95.6 Ų | 95.6 | 44% | 0.444 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.2 | -44.5 | 175.3 | -74.7 | -174.8 | -167.1 | 0 | 0 | 111.6 | K1562 L1563 M1569 Q1570 | K1562-E1566 WeakPolarHBondContact CE-OE1 3.23Å; K1562-E1566 PolarHBondContact O-N 3.25Å; L1563-E1566 PolarHBondContact O-N 2.92Å; E1566-M1569 PolarHBondContact O-N 2.92Å; E1566-Q1570 WeakPolarHBondContact O-CB 3.37Å; E1566-Q1570 PolarHBondContact O-N 2.8Å |
| 1567 | V | 92.4 | Very high | 91.5 | Very high | 87 Ų | 87 | 96.9 Ų | 96.9 | 53% | 0.527 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -63.7 | -44 | 175.2 | 171 | 0 | 0 | 0 | 0 | 111.4 | L1563 Q1570 A1571 | L1563-V1567 HydrophobicContact CD1-CG2 4.35Å; L1563-V1567 WeakPolarHBondContact O-CB 3.17Å; L1563-V1567 VanDerWaalsContact O-CG2 3.31Å; L1563-V1567 WeakPolarHBondContact O-CG2 3.33Å; L1563-V1567 PolarHBondContact O-N 2.98Å; V1567-Q1570 PolarHBondContact O-N 3.11Å; V1567-A1571 WeakPolarHBondContact O-CB 3.33Å; V1567-A1571 PolarHBondContact O-N 3.46Å |
| 1568 | N | 92.7 | Very high | 91.5 | Very high | 94 Ų | 94 | 101.7 Ų | 101.7 | 50% | 0.503 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.9 | -43.8 | 176.4 | -169.3 | -2 | 0 | 0 | 0 | 111.3 | R1564 Q1570 A1571 L1572 | R1564-N1568 WeakPolarHBondContact O-CB 3.14Å; R1564-N1568 PolarHBondContact O-N 3.1Å; N1568-Q1570 VanDerWaalsContact C-N 3.28Å; N1568-Q1570 PolarHBondContact O-N 2.7Å; N1568-A1571 PolarHBondContact O-N 2.75Å; N1568-L1572 WeakPolarHBondContact O-CB 3.44Å; N1568-L1572 WeakPolarHBondContact O-CG 3.09Å; N1568-L1572 PolarHBondContact O-N 3Å |
| 1569 | M | 89.6 | Confident | 91.5 | Very high | 83 Ų | 83 | 101.6 Ų | 101.6 | 41% | 0.409 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -34.8 | 173.1 | 176.9 | 177.6 | 45.1 | 0 | 0 | 112.4 | L1565 E1566 K1573 | L1565-M1569 VanDerWaalsContact O-CB 3.29Å; L1565-M1569 WeakPolarHBondContact O-CB 3.31Å; L1565-M1569 PolarHBondContact O-N 3.3Å; E1566-M1569 PolarHBondContact O-N 2.92Å; M1569-K1573 HydrophobicContact CG-CD 4.29Å; M1569-K1573 VanDerWaalsContact O-CG 3.28Å; M1569-K1573 WeakPolarHBondContact O-CG 3.32Å; M1569-K1573 PolarHBondContact O-N 3.22Å; M1569-K1573 PolarHBondContact SD-NZ 2.91Å |
| 1570 | Q | 90.1 | Very high | 91.4 | Very high | 144 Ų | 144 | 100.1 Ų | 100.1 | 67% | 0.673 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -71.7 | -40.2 | 175.2 | -174.6 | 170.5 | -11.2 | 0 | 0 | 111.9 | E1566 V1567 N1568 K1573 G1574 | E1566-Q1570 WeakPolarHBondContact O-CB 3.37Å; E1566-Q1570 PolarHBondContact O-N 2.8Å; V1567-Q1570 PolarHBondContact O-N 3.11Å; N1568-Q1570 VanDerWaalsContact C-N 3.28Å; N1568-Q1570 PolarHBondContact O-N 2.7Å; Q1570-K1573 PolarHBondContact O-N 3.45Å; Q1570-G1574 PolarHBondContact O-N 3.35Å |
| 1571 | A | 91.7 | Very high | 91.3 | Very high | 59 Ų | 59 | 103.1 Ų | 103.1 | 49% | 0.488 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.1 | -45.3 | 173.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1567 N1568 K1573 G1574 Q1575 | V1567-A1571 WeakPolarHBondContact O-CB 3.33Å; V1567-A1571 PolarHBondContact O-N 3.46Å; N1568-A1571 PolarHBondContact O-N 2.75Å; A1571-K1573 PolarHBondContact O-N 3.4Å; A1571-G1574 CarbonylContact O-C 3.48Å; A1571-G1574 PolarHBondContact O-N 2.73Å; A1571-Q1575 WeakPolarHBondContact O-CB 3.27Å; A1571-Q1575 PolarHBondContact O-N 3.26Å |
| 1572 | L | 91.6 | Very high | 91.2 | Very high | 99 Ų | 99 | 102.4 Ų | 102.4 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.7 | -37.6 | 175.6 | -72.8 | 168.6 | 0 | 0 | 0 | 112.6 | N1568 Q1575 F1576 | N1568-L1572 WeakPolarHBondContact O-CB 3.44Å; N1568-L1572 WeakPolarHBondContact O-CG 3.09Å; N1568-L1572 PolarHBondContact O-N 3Å; L1572-Q1575 PolarHBondContact O-N 2.97Å; L1572-F1576 WeakPolarHBondContact O-CB 3.44Å; L1572-F1576 PolarHBondContact O-N 2.97Å |
| 1573 | K | 90.5 | Very high | 91.2 | Very high | 111 Ų | 111 | 105 Ų | 105 | 48% | 0.483 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -48.6 | 172.2 | -76.1 | 167.9 | -174.4 | 165.8 | 0 | 111.8 | M1569 Q1570 A1571 Q1575 F1576 E1577 | M1569-K1573 HydrophobicContact CG-CD 4.29Å; M1569-K1573 VanDerWaalsContact O-CG 3.28Å; M1569-K1573 WeakPolarHBondContact O-CG 3.32Å; M1569-K1573 PolarHBondContact O-N 3.22Å; M1569-K1573 PolarHBondContact SD-NZ 2.91Å; Q1570-K1573 PolarHBondContact O-N 3.45Å; A1571-K1573 PolarHBondContact O-N 3.4Å; K1573-Q1575 PolarHBondContact O-N 3.41Å; K1573-F1576 PolarHBondContact O-N 3.07Å; K1573-F1576 VanDerWaalsContact O-N 3.14Å; K1573-E1577 WeakPolarHBondContact O-CB 3.35Å; K1573-E1577 WeakPolarHBondContact O-CG 3.49Å; K1573-E1577 PolarHBondContact O-N 3.08Å |
| 1574 | G | 90 | Very high | 91 | Very high | 26 Ų | 26 | 104.4 Ų | 104.4 | 27% | 0.268 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.1 | -18.5 | 177.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q1570 A1571 R1578 | Q1570-G1574 PolarHBondContact O-N 3.35Å; A1571-G1574 CarbonylContact O-C 3.48Å; A1571-G1574 PolarHBondContact O-N 2.73Å; G1574-R1578 PolarHBondContact O-NE 3.39Å; G1574-R1578 PolarHBondContact O-NH2 2.84Å |
| 1575 | Q | 92.6 | Very high | 90.9 | Very high | 96 Ų | 96 | 101.2 Ų | 101.2 | 45% | 0.449 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -77.3 | -54.8 | 164.5 | 179 | 174.3 | -8.8 | 0 | 0 | 110.7 | A1571 L1572 K1573 E1577 R1578 D1579 | A1571-Q1575 WeakPolarHBondContact O-CB 3.27Å; A1571-Q1575 PolarHBondContact O-N 3.26Å; L1572-Q1575 PolarHBondContact O-N 2.97Å; K1573-Q1575 PolarHBondContact O-N 3.41Å; Q1575-E1577 PolarHBondContact O-N 3.18Å; Q1575-R1578 WeakPolarHBondContact O-CA 3.35Å; Q1575-R1578 WeakPolarHBondContact O-CB 3.48Å; Q1575-R1578 PolarHBondContact O-N 3.38Å; Q1575-D1579 WeakPolarHBondContact CG-OD2 3.47Å; Q1575-D1579 PolarHBondContact O-N 3.45Å |
| 1576 | F | 90.6 | Very high | 90.9 | Very high | 137 Ų | 137 | 100.4 Ų | 100.4 | 60% | 0.601 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -55.9 | -35.5 | -179.9 | -179.2 | -93.5 | 0 | 0 | 0 | 113.5 | L1572 K1573 L1580 | L1572-F1576 WeakPolarHBondContact O-CB 3.44Å; L1572-F1576 PolarHBondContact O-N 2.97Å; K1573-F1576 PolarHBondContact O-N 3.07Å; K1573-F1576 VanDerWaalsContact O-N 3.14Å; F1576-L1580 HydrophobicContact CE1-CD2 4.42Å; F1576-L1580 WeakPolarHBondContact O-CB 3.42Å; F1576-L1580 PolarHBondContact O-N 2.88Å |
| 1577 | E | 89.9 | Confident | 90.8 | Very high | 127 Ų | 127 | 99.4 Ų | 99.4 | 59% | 0.593 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.2 | -36.3 | 175.5 | -73.9 | 170.4 | 176.4 | 0 | 0 | 112.3 | K1573 Q1575 Q1581 | K1573-E1577 WeakPolarHBondContact O-CB 3.35Å; K1573-E1577 WeakPolarHBondContact O-CG 3.49Å; K1573-E1577 PolarHBondContact O-N 3.08Å; Q1575-E1577 PolarHBondContact O-N 3.18Å; E1577-Q1581 WeakPolarHBondContact O-CB 3.39Å; E1577-Q1581 PolarHBondContact O-N 3.47Å |
| 1578 | R | 91.4 | Very high | 90.6 | Very high | 161 Ų | 161 | 99.9 Ų | 99.9 | 61% | 0.608 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -72 | -42.9 | 172.5 | -77.6 | 177.7 | -72.2 | 150.7 | 2.3 | 112 | G1574 Q1575 L1580 Q1581 A1582 | G1574-R1578 PolarHBondContact O-NE 3.39Å; G1574-R1578 PolarHBondContact O-NH2 2.84Å; Q1575-R1578 WeakPolarHBondContact O-CA 3.35Å; Q1575-R1578 WeakPolarHBondContact O-CB 3.48Å; Q1575-R1578 PolarHBondContact O-N 3.38Å; R1578-L1580 VanDerWaalsContact C-N 3.26Å; R1578-L1580 PolarHBondContact O-N 3.42Å; R1578-Q1581 PolarHBondContact O-N 2.92Å; R1578-A1582 WeakPolarHBondContact O-CB 3.37Å; R1578-A1582 PolarHBondContact O-N 3.26Å |
| 1579 | D | 92.3 | Very high | 90.4 | Very high | 89 Ų | 89 | 101.7 Ų | 101.7 | 48% | 0.476 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.8 | -36 | 176.4 | -63.3 | -15.6 | 0 | 0 | 0 | 110.9 | Q1575 R1583 | Q1575-D1579 WeakPolarHBondContact CG-OD2 3.47Å; Q1575-D1579 PolarHBondContact O-N 3.45Å; D1579-R1583 VanDerWaalsContact O-CB 3.22Å; D1579-R1583 WeakPolarHBondContact O-CB 3.35Å; D1579-R1583 PolarHBondContact O-N 3.14Å; D1579-R1583 VanDerWaalsContact O-N 3.08Å |
| 1580 | L | 89.6 | Confident | 90.4 | Very high | 77 Ų | 77 | 102.9 Ų | 102.9 | 40% | 0.403 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.9 | -46.3 | 173.4 | -178.6 | 62.8 | 0 | 0 | 0 | 111.9 | F1576 R1578 R1583 D1584 | F1576-L1580 HydrophobicContact CE1-CD2 4.42Å; F1576-L1580 WeakPolarHBondContact O-CB 3.42Å; F1576-L1580 PolarHBondContact O-N 2.88Å; R1578-L1580 VanDerWaalsContact C-N 3.26Å; R1578-L1580 PolarHBondContact O-N 3.42Å; L1580-R1583 PolarHBondContact O-N 2.69Å; L1580-D1584 PolarHBondContact O-N 3.26Å |
| 1581 | Q | 90.9 | Very high | 90.4 | Very high | 117 Ų | 117 | 103.9 Ų | 103.9 | 55% | 0.547 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -59.8 | -50.6 | 176.6 | -179.9 | -178.4 | -20.5 | 0 | 0 | 111.4 | E1577 R1578 R1583 D1584 E1585 | E1577-Q1581 WeakPolarHBondContact O-CB 3.39Å; E1577-Q1581 PolarHBondContact O-N 3.47Å; R1578-Q1581 PolarHBondContact O-N 2.92Å; Q1581-R1583 PolarHBondContact O-N 2.79Å; Q1581-D1584 PolarHBondContact O-N 2.8Å; Q1581-E1585 HydrophobicContact CG-CG 4.5Å; Q1581-E1585 WeakPolarHBondContact CG-OE1 3.43Å; Q1581-E1585 PolarHBondContact NE2-OE1 3.5Å; Q1581-E1585 WeakPolarHBondContact O-CG 3.4Å; Q1581-E1585 PolarHBondContact O-N 3.43Å |
| 1582 | A | 91 | Very high | 90.1 | Very high | 44 Ų | 44 | 107.3 Ų | 107.3 | 36% | 0.364 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -60.1 | -34.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112 | R1578 Q1586 | R1578-A1582 WeakPolarHBondContact O-CB 3.37Å; R1578-A1582 PolarHBondContact O-N 3.26Å; A1582-Q1586 WeakPolarHBondContact O-CB 3.38Å; A1582-Q1586 VanDerWaalsContact O-CG 3.31Å; A1582-Q1586 WeakPolarHBondContact O-CG 3.37Å; A1582-Q1586 PolarHBondContact O-N 3.45Å |
| 1583 | R | 91.1 | Very high | 90 | Very high | 166 Ų | 166 | 107.7 Ų | 107.7 | 63% | 0.626 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.9 | -39.4 | 173.8 | -175.1 | 177.3 | -176.7 | 167.5 | 3.5 | 112.5 | D1579 L1580 Q1581 Q1586 N1587 | D1579-R1583 VanDerWaalsContact O-CB 3.22Å; D1579-R1583 WeakPolarHBondContact O-CB 3.35Å; D1579-R1583 PolarHBondContact O-N 3.14Å; D1579-R1583 VanDerWaalsContact O-N 3.08Å; L1580-R1583 PolarHBondContact O-N 2.69Å; Q1581-R1583 PolarHBondContact O-N 2.79Å; R1583-Q1586 PolarHBondContact O-N 2.69Å; R1583-N1587 WeakPolarHBondContact O-CB 3.48Å; R1583-N1587 PolarHBondContact O-N 2.91Å; R1583-N1587 PolarHBondContact O-ND2 3.41Å; R1583-N1587 VanDerWaalsContact O-ND2 3.12Å; R1583-N1587 PolarHBondContact O-OD1 3.24Å |
| 1584 | D | 89.6 | Confident | 89.9 | Confident | 87 Ų | 87 | 107.3 Ų | 107.3 | 47% | 0.465 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -72 | -33.6 | 177.9 | -78.9 | -19.1 | 0 | 0 | 0 | 112.3 | L1580 Q1581 N1587 E1588 | L1580-D1584 PolarHBondContact O-N 3.26Å; Q1581-D1584 PolarHBondContact O-N 2.8Å; D1584-N1587 WeakPolarHBondContact O-CB 3.38Å; D1584-N1587 PolarHBondContact O-N 3.46Å; D1584-N1587 PolarHBondContact OD1-ND2 2.71Å; D1584-N1587 VanDerWaalsContact OD1-ND2 3.11Å; D1584-E1588 PolarHBondContact O-N 3.36Å |
| 1585 | E | 89 | Confident | 89.7 | Confident | 109 Ų | 109 | 111.2 Ų | 111.2 | 51% | 0.509 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 168.4 | -72.1 | 169.7 | -172.4 | 0 | 0 | 111.2 | Q1581 N1587 E1588 E1589 | Q1581-E1585 HydrophobicContact CG-CG 4.5Å; Q1581-E1585 WeakPolarHBondContact CG-OE1 3.43Å; Q1581-E1585 PolarHBondContact NE2-OE1 3.5Å; Q1581-E1585 WeakPolarHBondContact O-CG 3.4Å; Q1581-E1585 PolarHBondContact O-N 3.43Å; E1585-N1587 VanDerWaalsContact C-N 3.31Å; E1585-N1587 PolarHBondContact O-N 3.41Å; E1585-E1588 PolarHBondContact O-N 2.8Å; E1585-E1589 PolarHBondContact O-N 3.14Å |
| 1586 | Q | 90.9 | Very high | 89.4 | Confident | 101 Ų | 101 | 115 Ų | 115 | 47% | 0.472 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.2 | -34 | 172.1 | -74.9 | 179.7 | 19.7 | 0 | 0 | 113.3 | A1582 R1583 K1590 | A1582-Q1586 WeakPolarHBondContact O-CB 3.38Å; A1582-Q1586 VanDerWaalsContact O-CG 3.31Å; A1582-Q1586 WeakPolarHBondContact O-CG 3.37Å; A1582-Q1586 PolarHBondContact O-N 3.45Å; R1583-Q1586 PolarHBondContact O-N 2.69Å; Q1586-K1590 WeakPolarHBondContact O-CB 3.39Å; Q1586-K1590 WeakPolarHBondContact O-CD 3.29Å; Q1586-K1590 VanDerWaalsContact O-CG 3.26Å; Q1586-K1590 WeakPolarHBondContact O-CG 3.44Å; Q1586-K1590 PolarHBondContact O-N 3.14Å |
| 1587 | N | 90.5 | Very high | 89.3 | Confident | 74 Ų | 74 | 111.8 Ų | 111.8 | 40% | 0.396 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.4 | -39.6 | 175.7 | -70.4 | -32 | 0 | 0 | 0 | 110.7 | R1583 D1584 E1585 R1591 | R1583-N1587 WeakPolarHBondContact O-CB 3.48Å; R1583-N1587 PolarHBondContact O-N 2.91Å; R1583-N1587 PolarHBondContact O-ND2 3.41Å; R1583-N1587 VanDerWaalsContact O-ND2 3.12Å; R1583-N1587 PolarHBondContact O-OD1 3.24Å; D1584-N1587 WeakPolarHBondContact O-CB 3.38Å; D1584-N1587 PolarHBondContact O-N 3.46Å; D1584-N1587 PolarHBondContact OD1-ND2 2.71Å; D1584-N1587 VanDerWaalsContact OD1-ND2 3.11Å; E1585-N1587 VanDerWaalsContact C-N 3.31Å; E1585-N1587 PolarHBondContact O-N 3.41Å; N1587-R1591 VanDerWaalsContact O-CB 3.25Å; N1587-R1591 WeakPolarHBondContact O-CB 3.2Å; N1587-R1591 PolarHBondContact O-N 2.84Å |
| 1588 | E | 87.5 | Confident | 89 | Confident | 97 Ų | 97 | 110.7 Ų | 110.7 | 45% | 0.453 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.3 | -39.6 | 176 | -156.8 | -169.5 | 155.6 | 0 | 0 | 111.6 | D1584 E1585 R1591 R1592 | D1584-E1588 PolarHBondContact O-N 3.36Å; E1585-E1588 PolarHBondContact O-N 2.8Å; E1588-R1591 WeakPolarHBondContact O-CB 3.25Å; E1588-R1591 PolarHBondContact O-N 3.43Å; E1588-R1592 VanDerWaalsContact O-CG 3.3Å; E1588-R1592 WeakPolarHBondContact O-CG 3.47Å; E1588-R1592 PolarHBondContact O-N 3.3Å; E1588-R1592 IonicContact OE1-CZ 3.55Å; E1588-R1592 VanDerWaalsContact OE1-CZ 3.24Å; E1588-R1592 IonicContact OE1-NE 2.71Å; E1588-R1592 PolarHBondContact OE1-NE 3.02Å; E1588-R1592 VanDerWaalsContact OE1-NE 3.09Å; E1588-R1592 IonicContact OE1-NH2 2.65Å; E1588-R1592 PolarHBondContact OE1-NH2 3.32Å; E1588-R1592 IonicContact OE2-NH2 3.98Å |
| 1589 | E | 88.5 | Confident | 88.7 | Confident | 132 Ų | 132 | 108.7 Ų | 108.7 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -60.7 | -50.4 | 173.6 | -176.7 | 171.1 | -135.7 | 0 | 0 | 111.7 | E1585 R1591 R1592 Q1593 | E1585-E1589 PolarHBondContact O-N 3.14Å; E1589-R1591 VanDerWaalsContact C-N 3.27Å; E1589-R1591 PolarHBondContact O-N 2.85Å; E1589-R1592 PolarHBondContact O-N 3.42Å; E1589-R1592 VanDerWaalsContact O-N 3.1Å; E1589-Q1593 PolarHBondContact O-N 3.37Å |
| 1590 | K | 88.9 | Confident | 88.4 | Confident | 107 Ų | 107 | 109.4 Ų | 109.4 | 47% | 0.465 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -59.4 | -37.3 | 174.6 | -74.6 | 167.8 | -177 | 165.5 | 0 | 112.2 | Q1586 Q1593 L1594 | Q1586-K1590 WeakPolarHBondContact O-CB 3.39Å; Q1586-K1590 WeakPolarHBondContact O-CD 3.29Å; Q1586-K1590 VanDerWaalsContact O-CG 3.26Å; Q1586-K1590 WeakPolarHBondContact O-CG 3.44Å; Q1586-K1590 PolarHBondContact O-N 3.14Å; K1590-Q1593 PolarHBondContact O-N 3Å; K1590-L1594 WeakPolarHBondContact O-CB 3.44Å; K1590-L1594 VanDerWaalsContact O-CG 3.29Å; K1590-L1594 WeakPolarHBondContact O-CG 3.24Å; K1590-L1594 PolarHBondContact O-N 3Å |
| 1591 | R | 89.7 | Confident | 88.3 | Confident | 165 Ų | 165 | 112.8 Ų | 112.8 | 62% | 0.623 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.1 | -44.9 | 173.8 | 178.2 | -177.9 | 169.8 | 177.9 | 1.6 | 111.6 | N1587 E1588 E1589 Q1593 L1594 Q1595 | N1587-R1591 VanDerWaalsContact O-CB 3.25Å; N1587-R1591 WeakPolarHBondContact O-CB 3.2Å; N1587-R1591 PolarHBondContact O-N 2.84Å; E1588-R1591 WeakPolarHBondContact O-CB 3.25Å; E1588-R1591 PolarHBondContact O-N 3.43Å; E1589-R1591 VanDerWaalsContact C-N 3.27Å; E1589-R1591 PolarHBondContact O-N 2.85Å; R1591-Q1593 VanDerWaalsContact C-N 3.34Å; R1591-L1594 PolarHBondContact O-N 3.01Å; R1591-Q1595 WeakPolarHBondContact O-CB 3.4Å; R1591-Q1595 WeakPolarHBondContact O-CG 3.39Å; R1591-Q1595 PolarHBondContact O-N 3.11Å |
| 1592 | R | 86.3 | Confident | 88.1 | Confident | 132 Ų | 132 | 112.7 Ų | 112.7 | 50% | 0.498 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -38.9 | 176.2 | -69.2 | 169.9 | -173.6 | 176.1 | 3.1 | 111.4 | E1588 E1589 Q1595 R1596 | E1588-R1592 VanDerWaalsContact O-CG 3.3Å; E1588-R1592 WeakPolarHBondContact O-CG 3.47Å; E1588-R1592 PolarHBondContact O-N 3.3Å; E1588-R1592 IonicContact OE1-CZ 3.55Å; E1588-R1592 VanDerWaalsContact OE1-CZ 3.24Å; E1588-R1592 IonicContact OE1-NE 2.71Å; E1588-R1592 PolarHBondContact OE1-NE 3.02Å; E1588-R1592 VanDerWaalsContact OE1-NE 3.09Å; E1588-R1592 IonicContact OE1-NH2 2.65Å; E1588-R1592 PolarHBondContact OE1-NH2 3.32Å; E1588-R1592 IonicContact OE2-NH2 3.98Å; E1589-R1592 PolarHBondContact O-N 3.42Å; E1589-R1592 VanDerWaalsContact O-N 3.1Å; R1592-Q1595 PolarHBondContact O-N 3.25Å; R1592-R1596 PolarHBondContact O-N 3.4Å |
| 1593 | Q | 88.9 | Confident | 87.8 | Confident | 107 Ų | 107 | 113 Ų | 113 | 50% | 0.5 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -62.9 | -48.3 | 174 | -173.4 | 179.6 | 16.3 | 0 | 0 | 111.7 | E1589 K1590 R1591 Q1595 R1596 Q1597 | E1589-Q1593 PolarHBondContact O-N 3.37Å; K1590-Q1593 PolarHBondContact O-N 3Å; R1591-Q1593 VanDerWaalsContact C-N 3.34Å; Q1593-Q1595 VanDerWaalsContact C-N 3.28Å; Q1593-Q1595 PolarHBondContact O-N 3.41Å; Q1593-R1596 PolarHBondContact O-N 3.36Å; Q1593-R1596 VanDerWaalsContact O-N 3.16Å; Q1593-Q1597 WeakPolarHBondContact O-CG 3.21Å; Q1593-Q1597 PolarHBondContact O-N 2.7Å |
| 1594 | L | 89 | Confident | 87.6 | Confident | 103 Ų | 103 | 111.2 Ų | 111.2 | 54% | 0.539 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.5 | -34.2 | 175.5 | -72.7 | 168.6 | 0 | 0 | 0 | 112.4 | K1590 R1591 L1598 | K1590-L1594 WeakPolarHBondContact O-CB 3.44Å; K1590-L1594 VanDerWaalsContact O-CG 3.29Å; K1590-L1594 WeakPolarHBondContact O-CG 3.24Å; K1590-L1594 PolarHBondContact O-N 3Å; R1591-L1594 PolarHBondContact O-N 3.01Å; L1594-L1598 WeakPolarHBondContact O-CB 3.41Å; L1594-L1598 VanDerWaalsContact O-CG 3.26Å; L1594-L1598 WeakPolarHBondContact O-CG 3.29Å; L1594-L1598 PolarHBondContact O-N 2.71Å |
| 1595 | Q | 85.7 | Confident | 87.3 | Confident | 107 Ų | 107 | 110.7 Ų | 110.7 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -69.3 | -34.4 | 174.3 | -74.5 | -176.6 | -103 | 0 | 0 | 112.7 | R1591 R1592 Q1593 H1599 | R1591-Q1595 WeakPolarHBondContact O-CB 3.4Å; R1591-Q1595 WeakPolarHBondContact O-CG 3.39Å; R1591-Q1595 PolarHBondContact O-N 3.11Å; R1592-Q1595 PolarHBondContact O-N 3.25Å; Q1593-Q1595 VanDerWaalsContact C-N 3.28Å; Q1593-Q1595 PolarHBondContact O-N 3.41Å; Q1595-H1599 PolarHBondContact O-N 2.78Å; Q1595-H1599 VanDerWaalsContact O-N 3.13Å |
| 1596 | R | 86.7 | Confident | 87 | Confident | 175 Ų | 175 | 112 Ų | 112 | 66% | 0.66 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -66.5 | -49.6 | 171 | -72.7 | 176.5 | 179.7 | 164.3 | -3 | 111.6 | R1592 Q1593 L1598 H1599 E1600 | R1592-R1596 PolarHBondContact O-N 3.4Å; Q1593-R1596 PolarHBondContact O-N 3.36Å; Q1593-R1596 VanDerWaalsContact O-N 3.16Å; R1596-L1598 VanDerWaalsContact C-N 3.28Å; R1596-L1598 PolarHBondContact O-N 2.77Å; R1596-H1599 CarbonylContact O-C 3.53Å; R1596-H1599 WeakPolarHBondContact O-CA 3.42Å; R1596-H1599 WeakPolarHBondContact O-CB 3.28Å; R1596-H1599 PolarHBondContact O-N 2.94Å; R1596-E1600 WeakPolarHBondContact O-CB 3.36Å; R1596-E1600 VanDerWaalsContact O-CG 3.31Å; R1596-E1600 WeakPolarHBondContact O-CG 3.4Å; R1596-E1600 PolarHBondContact O-N 3.16Å |
| 1597 | Q | 88.4 | Confident | 86.7 | Confident | 71 Ų | 71 | 110.9 Ų | 110.9 | 33% | 0.332 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.7 | -37.3 | 177.9 | -70.9 | 178.9 | -35.8 | 0 | 0 | 112.7 | Q1593 E1600 Y1601 | Q1593-Q1597 WeakPolarHBondContact O-CG 3.21Å; Q1593-Q1597 PolarHBondContact O-N 2.7Å; Q1597-E1600 WeakPolarHBondContact CA-OE2 3.48Å; Q1597-Y1601 HydrophobicContact CB-CE2 4.48Å; Q1597-Y1601 WeakPolarHBondContact O-CD2 3.45Å; Q1597-Y1601 PolarHBondContact O-N 3.39Å |
| 1598 | L | 83.9 | Confident | 86.3 | Confident | 104 Ų | 104 | 111.8 Ų | 111.8 | 55% | 0.545 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64 | -42.6 | 171.5 | -76.7 | 168.3 | 0 | 0 | 0 | 111.9 | L1594 R1596 Y1601 E1602 | L1594-L1598 WeakPolarHBondContact O-CB 3.41Å; L1594-L1598 VanDerWaalsContact O-CG 3.26Å; L1594-L1598 WeakPolarHBondContact O-CG 3.29Å; L1594-L1598 PolarHBondContact O-N 2.71Å; R1596-L1598 VanDerWaalsContact C-N 3.28Å; R1596-L1598 PolarHBondContact O-N 2.77Å; L1598-Y1601 PolarHBondContact O-N 3.47Å; L1598-E1602 VanDerWaalsContact O-CB 3.29Å; L1598-E1602 WeakPolarHBondContact O-CB 3.47Å; L1598-E1602 WeakPolarHBondContact O-CG 3.44Å; L1598-E1602 PolarHBondContact O-N 2.9Å |
| 1599 | H | 84.9 | Confident | 86.1 | Confident | 119 Ų | 119 | 113.5 Ų | 113.5 | 55% | 0.551 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -69.9 | -35 | 178.8 | -168.6 | 44.8 | 0 | 0 | 0 | 113.3 | Q1595 R1596 T1603 | Q1595-H1599 PolarHBondContact O-N 2.78Å; Q1595-H1599 VanDerWaalsContact O-N 3.13Å; R1596-H1599 CarbonylContact O-C 3.53Å; R1596-H1599 WeakPolarHBondContact O-CA 3.42Å; R1596-H1599 WeakPolarHBondContact O-CB 3.28Å; R1596-H1599 PolarHBondContact O-N 2.94Å; H1599-T1603 WeakPolarHBondContact O-CB 3.39Å; H1599-T1603 PolarHBondContact O-N 3.01Å; H1599-T1603 PolarHBondContact O-OG1 3.41Å |
| 1600 | E | 86.4 | Confident | 85.8 | Confident | 104 Ų | 104 | 111.8 Ų | 111.8 | 49% | 0.486 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59.2 | -55.7 | 170.9 | -71.6 | 154.6 | -162.7 | 0 | 0 | 109.7 | R1596 Q1597 E1602 T1603 E1604 | R1596-E1600 WeakPolarHBondContact O-CB 3.36Å; R1596-E1600 VanDerWaalsContact O-CG 3.31Å; R1596-E1600 WeakPolarHBondContact O-CG 3.4Å; R1596-E1600 PolarHBondContact O-N 3.16Å; Q1597-E1600 WeakPolarHBondContact CA-OE2 3.48Å; E1600-E1602 PolarHBondContact O-N 3.27Å; E1600-T1603 PolarHBondContact O-N 3.37Å; E1600-T1603 VanDerWaalsContact O-N 3.15Å; E1600-E1604 PolarHBondContact O-N 3.13Å |
| 1601 | Y | 87.8 | Confident | 85.5 | Confident | 148 Ų | 148 | 113 Ų | 113 | 58% | 0.58 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -65.9 | -32.3 | 177.3 | -64.5 | -45.3 | 0 | 0 | 0 | 114.1 | Q1597 L1598 T1603 L1605 | Q1597-Y1601 HydrophobicContact CB-CE2 4.48Å; Q1597-Y1601 WeakPolarHBondContact O-CD2 3.45Å; Q1597-Y1601 PolarHBondContact O-N 3.39Å; L1598-Y1601 PolarHBondContact O-N 3.47Å; Y1601-T1603 VanDerWaalsContact C-N 3.33Å; Y1601-L1605 WeakPolarHBondContact O-CB 3.35Å; Y1601-L1605 PolarHBondContact O-N 2.97Å |
| 1602 | E | 85.4 | Confident | 85.1 | Confident | 114 Ų | 114 | 113.4 Ų | 113.4 | 53% | 0.533 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -64 | -40.2 | 172.5 | -79.9 | 171.7 | 168.8 | 0 | 0 | 110.7 | L1598 E1600 E1606 | L1598-E1602 VanDerWaalsContact O-CB 3.29Å; L1598-E1602 WeakPolarHBondContact O-CB 3.47Å; L1598-E1602 WeakPolarHBondContact O-CG 3.44Å; L1598-E1602 PolarHBondContact O-N 2.9Å; E1600-E1602 PolarHBondContact O-N 3.27Å; E1602-E1606 WeakPolarHBondContact O-CG 3.42Å; E1602-E1606 PolarHBondContact O-N 2.59Å |
| 1603 | T | 84.3 | Confident | 84.8 | Confident | 51 Ų | 51 | 110 Ų | 110 | 31% | 0.313 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.1 | -48.2 | 177.3 | -54.3 | 0 | 0 | 0 | 0 | 111.6 | H1599 E1600 Y1601 L1605 E1606 D1607 | H1599-T1603 WeakPolarHBondContact O-CB 3.39Å; H1599-T1603 PolarHBondContact O-N 3.01Å; H1599-T1603 PolarHBondContact O-OG1 3.41Å; E1600-T1603 PolarHBondContact O-N 3.37Å; E1600-T1603 VanDerWaalsContact O-N 3.15Å; Y1601-T1603 VanDerWaalsContact C-N 3.33Å; T1603-L1605 VanDerWaalsContact C-N 3.26Å; T1603-L1605 PolarHBondContact O-N 2.92Å; T1603-E1606 PolarHBondContact O-N 3.49Å; T1603-E1606 VanDerWaalsContact O-N 3.15Å; T1603-D1607 PolarHBondContact O-N 2.87Å |
| 1604 | E | 88.4 | Confident | 84.4 | Confident | 128 Ų | 128 | 110.2 Ų | 110.2 | 60% | 0.598 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -56.9 | -40.3 | 175.6 | -71.1 | -179.3 | 163.1 | 0 | 0 | 111.9 | E1600 D1607 E1608 | E1600-E1604 PolarHBondContact O-N 3.13Å; E1604-D1607 PolarHBondContact O-N 2.93Å; E1604-E1608 PolarHBondContact O-N 2.97Å |
| 1605 | L | 81.8 | Confident | 83.9 | Confident | 76 Ų | 76 | 108.2 Ų | 108.2 | 40% | 0.398 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70.9 | -36.4 | 177.5 | -178 | 62.7 | 0 | 0 | 0 | 112.7 | Y1601 T1603 R1609 | Y1601-L1605 WeakPolarHBondContact O-CB 3.35Å; Y1601-L1605 PolarHBondContact O-N 2.97Å; T1603-L1605 VanDerWaalsContact C-N 3.26Å; T1603-L1605 PolarHBondContact O-N 2.92Å; L1605-R1609 VanDerWaalsContact O-CB 3.31Å; L1605-R1609 WeakPolarHBondContact O-CB 3.19Å; L1605-R1609 VanDerWaalsContact O-CD 3.26Å; L1605-R1609 WeakPolarHBondContact O-CD 3.17Å; L1605-R1609 WeakPolarHBondContact O-CG 3.47Å; L1605-R1609 PolarHBondContact O-N 3.44Å; L1605-R1609 VanDerWaalsContact O-N 3.09Å |
| 1606 | E | 83.5 | Confident | 83.5 | Confident | 137 Ų | 137 | 105.2 Ų | 105.2 | 64% | 0.64 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -39.4 | 172.9 | -78.2 | -168.7 | 170.7 | 0 | 0 | 111.9 | E1602 T1603 R1609 K1610 | E1602-E1606 WeakPolarHBondContact O-CG 3.42Å; E1602-E1606 PolarHBondContact O-N 2.59Å; T1603-E1606 PolarHBondContact O-N 3.49Å; T1603-E1606 VanDerWaalsContact O-N 3.15Å; E1606-R1609 WeakPolarHBondContact O-CB 3.47Å; E1606-R1609 PolarHBondContact O-N 3.34Å; E1606-K1610 WeakPolarHBondContact O-CB 3.28Å; E1606-K1610 PolarHBondContact O-N 3.27Å |
| 1607 | D | 84.1 | Confident | 83.2 | Confident | 78 Ų | 78 | 99.3 Ų | 99.3 | 42% | 0.417 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.8 | -41.7 | 176.4 | -83.3 | -30.7 | 0 | 0 | 0 | 112.8 | T1603 E1604 R1609 K1610 Q1611 | T1603-D1607 PolarHBondContact O-N 2.87Å; E1604-D1607 PolarHBondContact O-N 2.93Å; D1607-R1609 VanDerWaalsContact C-N 3.25Å; D1607-R1609 PolarHBondContact O-N 3.42Å; D1607-K1610 PolarHBondContact O-N 2.73Å; D1607-Q1611 WeakPolarHBondContact O-CB 3.38Å; D1607-Q1611 VanDerWaalsContact O-CG 3.31Å; D1607-Q1611 WeakPolarHBondContact O-CG 3.39Å; D1607-Q1611 PolarHBondContact O-N 3.01Å |
| 1608 | E | 82.3 | Confident | 82.5 | Confident | 92 Ų | 92 | 98.6 Ų | 98.6 | 43% | 0.43 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -59 | -41.4 | 171.7 | -163.2 | -137.7 | 128.7 | 0 | 0 | 110.2 | E1604 R1612 | E1604-E1608 PolarHBondContact O-N 2.97Å; E1608-R1612 WeakPolarHBondContact O-CB 3.4Å; E1608-R1612 PolarHBondContact O-N 3.01Å; E1608-R1612 WeakPolarHBondContact OE1-CD 3.34Å; E1608-R1612 IonicContact OE1-CZ 3.21Å; E1608-R1612 IonicContact OE1-NH1 3.73Å; E1608-R1612 PolarHBondContact OE1-NH1 3.11Å |
| 1609 | R | 83 | Confident | 82.1 | Confident | 133 Ų | 133 | 99.5 Ų | 99.5 | 50% | 0.502 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.1 | -44.4 | 175.8 | -74.8 | 167.5 | 175.3 | -167.8 | -3.8 | 112.2 | L1605 E1606 D1607 A1613 | L1605-R1609 VanDerWaalsContact O-CB 3.31Å; L1605-R1609 WeakPolarHBondContact O-CB 3.19Å; L1605-R1609 VanDerWaalsContact O-CD 3.26Å; L1605-R1609 WeakPolarHBondContact O-CD 3.17Å; L1605-R1609 WeakPolarHBondContact O-CG 3.47Å; L1605-R1609 PolarHBondContact O-N 3.44Å; L1605-R1609 VanDerWaalsContact O-N 3.09Å; E1606-R1609 WeakPolarHBondContact O-CB 3.47Å; E1606-R1609 PolarHBondContact O-N 3.34Å; D1607-R1609 VanDerWaalsContact C-N 3.25Å; D1607-R1609 PolarHBondContact O-N 3.42Å; R1609-A1613 WeakPolarHBondContact O-CB 3.44Å; R1609-A1613 PolarHBondContact O-N 2.54Å |
| 1610 | K | 82.2 | Confident | 81.6 | Confident | 96 Ų | 96 | 102.3 Ų | 102.3 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.4 | -50.7 | 176.6 | -173.5 | 176.7 | 175.3 | -177.8 | 0 | 110.2 | E888 E1606 D1607 A1613 L1614 | E888-K1610 IonicContact OE1-NZ 2.67Å; E888-K1610 PolarHBondContact OE1-NZ 2.86Å; E888-K1610 IonicContact OE2-NZ 3.19Å; E1606-K1610 WeakPolarHBondContact O-CB 3.28Å; E1606-K1610 PolarHBondContact O-N 3.27Å; D1607-K1610 PolarHBondContact O-N 2.73Å; K1610-A1613 PolarHBondContact O-N 3.23Å; K1610-L1614 HydrophobicContact CG-CD1 4.14Å; K1610-L1614 WeakPolarHBondContact O-CB 3.13Å; K1610-L1614 VanDerWaalsContact O-CG 3.27Å; K1610-L1614 WeakPolarHBondContact O-CG 3.37Å; K1610-L1614 PolarHBondContact O-N 2.78Å |
| 1611 | Q | 82 | Confident | 81.1 | Confident | 134 Ų | 134 | 103.4 Ų | 103.4 | 63% | 0.626 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -61.9 | -47.4 | 178.3 | -68.6 | 179 | 30.5 | 0 | 0 | 112.4 | D1607 A1613 L1614 A1615 | D1607-Q1611 WeakPolarHBondContact O-CB 3.38Å; D1607-Q1611 VanDerWaalsContact O-CG 3.31Å; D1607-Q1611 WeakPolarHBondContact O-CG 3.39Å; D1607-Q1611 PolarHBondContact O-N 3.01Å; Q1611-A1613 PolarHBondContact O-N 2.96Å; Q1611-L1614 PolarHBondContact O-N 2.86Å; Q1611-A1615 VanDerWaalsContact O-CB 3.3Å; Q1611-A1615 WeakPolarHBondContact O-CB 3.3Å; Q1611-A1615 PolarHBondContact O-N 2.97Å |
| 1612 | R | 81.2 | Confident | 80.5 | Confident | 172 Ų | 172 | 101.7 Ų | 101.7 | 65% | 0.649 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -67.5 | -34.1 | -178.8 | -171.3 | 170.3 | -178.3 | 163.1 | -1.1 | 112.6 | E1608 A1616 | E1608-R1612 WeakPolarHBondContact O-CB 3.4Å; E1608-R1612 PolarHBondContact O-N 3.01Å; E1608-R1612 WeakPolarHBondContact OE1-CD 3.34Å; E1608-R1612 IonicContact OE1-CZ 3.21Å; E1608-R1612 IonicContact OE1-NH1 3.73Å; E1608-R1612 PolarHBondContact OE1-NH1 3.11Å; R1612-A1616 WeakPolarHBondContact O-CB 3.42Å; R1612-A1616 PolarHBondContact O-N 2.87Å |
| 1613 | A | 81.4 | Confident | 80.2 | Confident | 62 Ų | 62 | 101.1 Ų | 101.1 | 51% | 0.512 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -68.5 | -46.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | R1609 K1610 Q1611 A1616 A1617 | R1609-A1613 WeakPolarHBondContact O-CB 3.44Å; R1609-A1613 PolarHBondContact O-N 2.54Å; K1610-A1613 PolarHBondContact O-N 3.23Å; Q1611-A1613 PolarHBondContact O-N 2.96Å; A1613-A1616 PolarHBondContact O-N 3.4Å; A1613-A1617 WeakPolarHBondContact O-CB 3.18Å; A1613-A1617 PolarHBondContact O-N 3.29Å |
| 1614 | L | 80.5 | Confident | 79.9 | Confident | 111 Ų | 111 | 100 Ų | 100 | 58% | 0.581 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -61.4 | -48 | 176.1 | -72.4 | 168.6 | 0 | 0 | 0 | 111.5 | K1610 Q1611 A1616 A1617 A1618 | K1610-L1614 HydrophobicContact CG-CD1 4.14Å; K1610-L1614 WeakPolarHBondContact O-CB 3.13Å; K1610-L1614 VanDerWaalsContact O-CG 3.27Å; K1610-L1614 WeakPolarHBondContact O-CG 3.37Å; K1610-L1614 PolarHBondContact O-N 2.78Å; Q1611-L1614 PolarHBondContact O-N 2.86Å; L1614-A1616 VanDerWaalsContact C-N 3.33Å; L1614-A1616 PolarHBondContact O-N 3.09Å; L1614-A1617 PolarHBondContact O-N 3.4Å; L1614-A1618 WeakPolarHBondContact O-CB 3.49Å; L1614-A1618 PolarHBondContact O-N 3.15Å |
| 1615 | A | 78.9 | Confident | 79.4 | Confident | 60 Ų | 60 | 97.7 Ų | 97.7 | 50% | 0.496 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.5 | -39 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1611 K1619 | Q1611-A1615 VanDerWaalsContact O-CB 3.3Å; Q1611-A1615 WeakPolarHBondContact O-CB 3.3Å; Q1611-A1615 PolarHBondContact O-N 2.97Å; A1615-K1619 WeakPolarHBondContact O-CB 3.05Å; A1615-K1619 PolarHBondContact O-N 3.07Å |
| 1616 | A | 77.2 | Confident | 79.2 | Confident | 44 Ų | 44 | 98.6 Ų | 98.6 | 36% | 0.364 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | R1612 A1613 L1614 K1620 K1621 | R1612-A1616 WeakPolarHBondContact O-CB 3.42Å; R1612-A1616 PolarHBondContact O-N 2.87Å; A1613-A1616 PolarHBondContact O-N 3.4Å; L1614-A1616 VanDerWaalsContact C-N 3.33Å; L1614-A1616 PolarHBondContact O-N 3.09Å; A1616-K1620 WeakPolarHBondContact O-CA 3.42Å; A1616-K1620 WeakPolarHBondContact O-CB 3.4Å; A1616-K1620 PolarHBondContact O-N 2.86Å; A1616-K1621 PolarHBondContact O-N 3.11Å |
| 1617 | A | 78.8 | Confident | 79.2 | Confident | 51 Ų | 51 | 95.4 Ų | 95.4 | 42% | 0.421 | 49% | 0.491 | S | S | . | . | I | π-helix | trans | -67.2 | -49.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1613 L1614 K1621 L1622 | A1613-A1617 WeakPolarHBondContact O-CB 3.18Å; A1613-A1617 PolarHBondContact O-N 3.29Å; L1614-A1617 PolarHBondContact O-N 3.4Å; A1617-K1621 VanDerWaalsContact O-CB 3.3Å; A1617-K1621 WeakPolarHBondContact O-CB 3.25Å; A1617-K1621 PolarHBondContact O-N 3.14Å; A1617-L1622 PolarHBondContact O-N 3.01Å |
| 1618 | A | 75 | Confident | 79 | Confident | 56 Ų | 56 | 96.1 Ų | 96.1 | 46% | 0.463 | 50% | 0.495 | S | S | . | . | I | π-helix | trans | -63.3 | -54.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | L1614 L1622 | L1614-A1618 WeakPolarHBondContact O-CB 3.49Å; L1614-A1618 PolarHBondContact O-N 3.15Å; A1618-L1622 WeakPolarHBondContact O-CB 3.37Å; A1618-L1622 PolarHBondContact O-N 3.22Å |
| 1619 | K | 74.3 | Confident | 78.8 | Confident | 124 Ų | 124 | 96 Ų | 96 | 54% | 0.539 | 50% | 0.497 | S | S | . | . | I | π-helix | trans | -75.2 | -62.8 | -173.8 | -173.8 | 130.5 | -165.1 | 142.8 | 0 | 113.1 | A1615 K1621 E1623 | A1615-K1619 WeakPolarHBondContact O-CB 3.05Å; A1615-K1619 PolarHBondContact O-N 3.07Å; K1619-K1621 PolarHBondContact O-N 2.88Å; K1619-E1623 WeakPolarHBondContact CD-OE1 3.44Å; K1619-E1623 WeakPolarHBondContact CE-OE1 3.33Å; K1619-E1623 VanDerWaalsContact CE-OE2 3.24Å; K1619-E1623 WeakPolarHBondContact CE-OE2 2.98Å; K1619-E1623 IonicContact NZ-OE1 2.66Å; K1619-E1623 PolarHBondContact NZ-OE1 2.9Å; K1619-E1623 IonicContact NZ-OE2 3.32Å; K1619-E1623 WeakPolarHBondContact O-CB 3.43Å; K1619-E1623 VanDerWaalsContact O-CG 3.3Å; K1619-E1623 WeakPolarHBondContact O-CG 3.03Å; K1619-E1623 PolarHBondContact O-N 3.4Å |
| 1620 | K | 75.5 | Confident | 78.8 | Confident | 177 Ų | 177 | 93.8 Ų | 93.8 | 77% | 0.77 | 49% | 0.492 | S | S | * | . | I | π-helix | trans | -74 | -29.3 | -170 | -68.1 | -167.4 | 172.9 | -168.7 | 0 | 113.6 | A1616 | A1616-K1620 WeakPolarHBondContact O-CA 3.42Å; A1616-K1620 WeakPolarHBondContact O-CB 3.4Å; A1616-K1620 PolarHBondContact O-N 2.86Å |
| 1621 | K | 75.5 | Confident | 78.8 | Confident | 128 Ų | 128 | 93 Ų | 93 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | I | π-helix | trans | -92.1 | -54.5 | -178.3 | -164 | -166.8 | 168.9 | -156.6 | 0 | 112.1 | A1616 A1617 K1619 G1624 D1625 | A1616-K1621 PolarHBondContact O-N 3.11Å; A1617-K1621 VanDerWaalsContact O-CB 3.3Å; A1617-K1621 WeakPolarHBondContact O-CB 3.25Å; A1617-K1621 PolarHBondContact O-N 3.14Å; K1619-K1621 PolarHBondContact O-N 2.88Å; K1621-G1624 PolarHBondContact O-N 3.26Å; K1621-D1625 VanDerWaalsContact CE-OD2 3.31Å; K1621-D1625 WeakPolarHBondContact CE-OD2 3.36Å; K1621-D1625 WeakPolarHBondContact O-CB 3.45Å; K1621-D1625 PolarHBondContact O-N 3.4Å |
| 1622 | L | 75.5 | Confident | 78.7 | Confident | 111 Ų | 111 | 91.7 Ų | 91.7 | 58% | 0.581 | 49% | 0.486 | S | S | * | . | I | π-helix | trans | -72.4 | -43.4 | -175.6 | -57.4 | 176.9 | 0 | 0 | 0 | 112.8 | A1617 A1618 G1624 L1626 | A1617-L1622 PolarHBondContact O-N 3.01Å; A1618-L1622 WeakPolarHBondContact O-CB 3.37Å; A1618-L1622 PolarHBondContact O-N 3.22Å; L1622-G1624 PolarHBondContact O-N 3.44Å; L1622-L1626 WeakPolarHBondContact O-CB 3.06Å; L1622-L1626 PolarHBondContact O-N 2.91Å |
| 1623 | E | 79.3 | Confident | 78.7 | Confident | 102 Ų | 102 | 85.8 Ų | 85.8 | 48% | 0.477 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.4 | -30.7 | 172.9 | -52.2 | 175.7 | -176.4 | 0 | 0 | 111.4 | K1619 K1627 | K1619-E1623 WeakPolarHBondContact CD-OE1 3.44Å; K1619-E1623 WeakPolarHBondContact CE-OE1 3.33Å; K1619-E1623 VanDerWaalsContact CE-OE2 3.24Å; K1619-E1623 WeakPolarHBondContact CE-OE2 2.98Å; K1619-E1623 IonicContact NZ-OE1 2.66Å; K1619-E1623 PolarHBondContact NZ-OE1 2.9Å; K1619-E1623 IonicContact NZ-OE2 3.32Å; K1619-E1623 WeakPolarHBondContact O-CB 3.43Å; K1619-E1623 VanDerWaalsContact O-CG 3.3Å; K1619-E1623 WeakPolarHBondContact O-CG 3.03Å; K1619-E1623 PolarHBondContact O-N 3.4Å; E1623-K1627 WeakPolarHBondContact O-CB 3.1Å; E1623-K1627 PolarHBondContact O-N 3.37Å |
| 1624 | G | 77.5 | Confident | 78.7 | Confident | 28 Ų | 28 | 85 Ų | 85 | 29% | 0.289 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.1 | -55 | 178 | 0 | 0 | 0 | 0 | 0 | 113.3 | K1621 L1622 L1626 K1627 D1628 | K1621-G1624 PolarHBondContact O-N 3.26Å; L1622-G1624 PolarHBondContact O-N 3.44Å; G1624-L1626 PolarHBondContact O-N 3.01Å; G1624-K1627 PolarHBondContact O-N 2.99Å; G1624-D1628 WeakPolarHBondContact O-CB 3.47Å; G1624-D1628 PolarHBondContact O-N 3.11Å |
| 1625 | D | 77.5 | Confident | 78.8 | Confident | 80 Ų | 80 | 83.7 Ų | 83.7 | 43% | 0.428 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -56.4 | -33.5 | 174.7 | -75.6 | -27 | 0 | 0 | 0 | 110.8 | K1621 L1629 | K1621-D1625 VanDerWaalsContact CE-OD2 3.31Å; K1621-D1625 WeakPolarHBondContact CE-OD2 3.36Å; K1621-D1625 WeakPolarHBondContact O-CB 3.45Å; K1621-D1625 PolarHBondContact O-N 3.4Å; D1625-L1629 WeakPolarHBondContact O-CB 3.38Å; D1625-L1629 WeakPolarHBondContact O-CD1 3.46Å; D1625-L1629 VanDerWaalsContact O-CG 3.28Å; D1625-L1629 WeakPolarHBondContact O-CG 3.46Å; D1625-L1629 PolarHBondContact O-N 2.56Å |
| 1626 | L | 77.8 | Confident | 79 | Confident | 95 Ų | 95 | 84 Ų | 84 | 50% | 0.497 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -70.1 | -53.5 | 173.3 | -177.4 | 63.5 | 0 | 0 | 0 | 112.3 | L1622 G1624 D1628 L1629 E1630 | L1622-L1626 WeakPolarHBondContact O-CB 3.06Å; L1622-L1626 PolarHBondContact O-N 2.91Å; G1624-L1626 PolarHBondContact O-N 3.01Å; L1626-D1628 PolarHBondContact O-N 2.87Å; L1626-L1629 CarbonylContact O-C 3.54Å; L1626-L1629 WeakPolarHBondContact O-CA 3.46Å; L1626-L1629 WeakPolarHBondContact O-CB 3.33Å; L1626-L1629 PolarHBondContact O-N 3.36Å; L1626-E1630 HydrophobicContact CD1-CG 4.42Å; L1626-E1630 HydrophobicContact CG-CG 4.47Å; L1626-E1630 WeakPolarHBondContact O-CG 3.26Å; L1626-E1630 PolarHBondContact O-N 2.98Å |
| 1627 | K | 83.4 | Confident | 79.3 | Confident | 69 Ų | 69 | 85.7 Ų | 85.7 | 30% | 0.3 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -60.7 | -35.6 | 179.5 | -164.3 | -177.4 | -173.9 | -175 | 0 | 111.6 | E1623 G1624 E1630 L1631 E1866 | E1623-K1627 WeakPolarHBondContact O-CB 3.1Å; E1623-K1627 PolarHBondContact O-N 3.37Å; G1624-K1627 PolarHBondContact O-N 2.99Å; K1627-E1630 PolarHBondContact O-N 2.86Å; K1627-L1631 HydrophobicContact CD-CD1 4.49Å; K1627-L1631 HydrophobicContact CG-CD1 4.15Å; K1627-L1631 HydrophobicContact CG-CG 4.38Å; K1627-L1631 WeakPolarHBondContact O-CB 3.38Å; K1627-L1631 VanDerWaalsContact O-CG 3.24Å; K1627-L1631 WeakPolarHBondContact O-CG 3.43Å; K1627-L1631 PolarHBondContact O-N 2.73Å; K1627-E1866 IonicContact NZ-OE1 2.71Å; K1627-E1866 PolarHBondContact NZ-OE1 2.65Å |
| 1628 | D | 79.3 | Confident | 79.5 | Confident | 94 Ų | 94 | 87.8 Ų | 87.8 | 50% | 0.503 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -68.4 | -33.3 | 175 | -81.9 | 4.2 | 0 | 0 | 0 | 112.6 | G1624 L1626 Q1632 | G1624-D1628 WeakPolarHBondContact O-CB 3.47Å; G1624-D1628 PolarHBondContact O-N 3.11Å; L1626-D1628 PolarHBondContact O-N 2.87Å; D1628-Q1632 WeakPolarHBondContact O-CB 3.41Å; D1628-Q1632 WeakPolarHBondContact O-CG 3.41Å; D1628-Q1632 PolarHBondContact O-N 2.75Å |
| 1629 | L | 79.8 | Confident | 79.9 | Confident | 88 Ų | 88 | 86.7 Ų | 86.7 | 46% | 0.461 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -71.5 | -40.2 | 171.8 | -80.7 | 167.5 | 0 | 0 | 0 | 112.2 | K647 D1625 L1626 Q1632 A1633 | K647-L1629 VanDerWaalsContact NZ-CD2 3.29Å; D1625-L1629 WeakPolarHBondContact O-CB 3.38Å; D1625-L1629 WeakPolarHBondContact O-CD1 3.46Å; D1625-L1629 VanDerWaalsContact O-CG 3.28Å; D1625-L1629 WeakPolarHBondContact O-CG 3.46Å; D1625-L1629 PolarHBondContact O-N 2.56Å; L1626-L1629 CarbonylContact O-C 3.54Å; L1626-L1629 WeakPolarHBondContact O-CA 3.46Å; L1626-L1629 WeakPolarHBondContact O-CB 3.33Å; L1626-L1629 PolarHBondContact O-N 3.36Å; L1629-Q1632 PolarHBondContact O-N 2.85Å; L1629-A1633 WeakPolarHBondContact O-CB 3.47Å; L1629-A1633 PolarHBondContact O-N 2.75Å |
| 1630 | E | 82.2 | Confident | 80.4 | Confident | 88 Ų | 88 | 87.9 Ų | 87.9 | 41% | 0.411 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -62 | -47.1 | 173.6 | -70.7 | 172.7 | 166.7 | 0 | 0 | 111 | L1626 K1627 Q1632 A1633 D1634 | L1626-E1630 HydrophobicContact CD1-CG 4.42Å; L1626-E1630 HydrophobicContact CG-CG 4.47Å; L1626-E1630 WeakPolarHBondContact O-CG 3.26Å; L1626-E1630 PolarHBondContact O-N 2.98Å; K1627-E1630 PolarHBondContact O-N 2.86Å; E1630-Q1632 VanDerWaalsContact C-N 3.31Å; E1630-Q1632 PolarHBondContact O-N 2.79Å; E1630-A1633 CarbonylContact O-C 3.59Å; E1630-A1633 PolarHBondContact O-N 3.18Å; E1630-A1633 VanDerWaalsContact O-N 3.14Å; E1630-D1634 WeakPolarHBondContact O-CB 3.35Å; E1630-D1634 PolarHBondContact O-N 2.92Å |
| 1631 | L | 81.3 | Confident | 80.9 | Confident | 78 Ų | 78 | 82.8 Ų | 82.8 | 41% | 0.408 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -63.8 | -34.5 | 176.1 | -72.3 | 169.2 | 0 | 0 | 0 | 112.6 | K1627 S1635 | K1627-L1631 HydrophobicContact CD-CD1 4.49Å; K1627-L1631 HydrophobicContact CG-CD1 4.15Å; K1627-L1631 HydrophobicContact CG-CG 4.38Å; K1627-L1631 WeakPolarHBondContact O-CB 3.38Å; K1627-L1631 VanDerWaalsContact O-CG 3.24Å; K1627-L1631 WeakPolarHBondContact O-CG 3.43Å; K1627-L1631 PolarHBondContact O-N 2.73Å; L1631-S1635 WeakPolarHBondContact O-CB 3.17Å; L1631-S1635 PolarHBondContact O-N 3.3Å |
| 1632 | Q | 81.3 | Confident | 81.3 | Confident | 108 Ų | 108 | 82.4 Ų | 82.4 | 51% | 0.505 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -68.7 | -38 | 172.6 | -76.8 | 170.9 | 7.8 | 0 | 0 | 112 | D1628 L1629 E1630 A1636 | D1628-Q1632 WeakPolarHBondContact O-CB 3.41Å; D1628-Q1632 WeakPolarHBondContact O-CG 3.41Å; D1628-Q1632 PolarHBondContact O-N 2.75Å; L1629-Q1632 PolarHBondContact O-N 2.85Å; E1630-Q1632 VanDerWaalsContact C-N 3.31Å; E1630-Q1632 PolarHBondContact O-N 2.79Å; Q1632-A1636 WeakPolarHBondContact O-CB 3.37Å; Q1632-A1636 PolarHBondContact O-N 2.84Å |
| 1633 | A | 80.4 | Confident | 81.8 | Confident | 48 Ų | 48 | 79.8 Ų | 79.8 | 40% | 0.397 | 44% | 0.435 | S | S | . | . | H | α-helix | trans | -69.3 | -47.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112 | L1629 E1630 S1635 A1636 I1637 | L1629-A1633 WeakPolarHBondContact O-CB 3.47Å; L1629-A1633 PolarHBondContact O-N 2.75Å; E1630-A1633 CarbonylContact O-C 3.59Å; E1630-A1633 PolarHBondContact O-N 3.18Å; E1630-A1633 VanDerWaalsContact O-N 3.14Å; A1633-S1635 VanDerWaalsContact C-N 3.29Å; A1633-S1635 PolarHBondContact O-N 3.48Å; A1633-A1636 PolarHBondContact O-N 3.17Å; A1633-I1637 WeakPolarHBondContact O-CB 3.47Å; A1633-I1637 WeakPolarHBondContact O-CD1 3.46Å; A1633-I1637 WeakPolarHBondContact O-CG1 3.28Å; A1633-I1637 PolarHBondContact O-N 3.17Å |
| 1634 | D | 82.6 | Confident | 82 | Confident | 45 Ų | 45 | 78.3 Ų | 78.3 | 24% | 0.241 | 43% | 0.429 | C | S | . | . | H | α-helix | trans | -53.6 | -46.8 | 174.2 | -78.3 | -19.8 | 0 | 0 | 0 | 110.6 | E1630 I1637 K1638 R1862 | E1630-D1634 WeakPolarHBondContact O-CB 3.35Å; E1630-D1634 PolarHBondContact O-N 2.92Å; D1634-I1637 PolarHBondContact O-N 2.73Å; D1634-K1638 WeakPolarHBondContact O-CB 3.3Å; D1634-K1638 VanDerWaalsContact O-CG 3.3Å; D1634-K1638 WeakPolarHBondContact O-CG 3.47Å; D1634-K1638 PolarHBondContact O-N 3.05Å; D1634-R1862 IonicContact OD2-CZ 2.85Å; D1634-R1862 VanDerWaalsContact OD2-CZ 3.3Å; D1634-R1862 IonicContact OD2-NH1 2.67Å; D1634-R1862 PolarHBondContact OD2-NH1 2.78Å; D1634-R1862 IonicContact OD2-NH2 2.57Å; D1634-R1862 PolarHBondContact OD2-NH2 3.23Å |
| 1635 | S | 82.5 | Confident | 82.4 | Confident | 83 Ų | 83 | 82.5 Ų | 82.5 | 58% | 0.58 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -64.4 | -46.7 | 177.9 | -175.7 | 0 | 0 | 0 | 0 | 112.4 | L1631 A1633 I1637 K1638 G1639 | L1631-S1635 WeakPolarHBondContact O-CB 3.17Å; L1631-S1635 PolarHBondContact O-N 3.3Å; A1633-S1635 VanDerWaalsContact C-N 3.29Å; A1633-S1635 PolarHBondContact O-N 3.48Å; S1635-I1637 VanDerWaalsContact C-N 3.32Å; S1635-I1637 PolarHBondContact O-N 2.98Å; S1635-K1638 PolarHBondContact O-N 3.34Å; S1635-G1639 PolarHBondContact O-N 3.04Å |
| 1636 | A | 83 | Confident | 82.8 | Confident | 68 Ų | 68 | 84.8 Ų | 84.8 | 56% | 0.562 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -64.4 | -35.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1632 A1633 R1640 | Q1632-A1636 WeakPolarHBondContact O-CB 3.37Å; Q1632-A1636 PolarHBondContact O-N 2.84Å; A1633-A1636 PolarHBondContact O-N 3.17Å; A1636-R1640 VanDerWaalsContact O-CB 3.3Å; A1636-R1640 WeakPolarHBondContact O-CB 2.96Å; A1636-R1640 PolarHBondContact O-N 2.66Å |
| 1637 | I | 82.7 | Confident | 83.1 | Confident | 78 Ų | 78 | 84.9 Ų | 84.9 | 40% | 0.4 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -69.6 | -45.4 | 175.2 | -70.5 | 164.9 | 0 | 0 | 0 | 110.7 | A1633 D1634 S1635 R1640 E1641 | A1633-I1637 WeakPolarHBondContact O-CB 3.47Å; A1633-I1637 WeakPolarHBondContact O-CD1 3.46Å; A1633-I1637 WeakPolarHBondContact O-CG1 3.28Å; A1633-I1637 PolarHBondContact O-N 3.17Å; D1634-I1637 PolarHBondContact O-N 2.73Å; S1635-I1637 VanDerWaalsContact C-N 3.32Å; S1635-I1637 PolarHBondContact O-N 2.98Å; I1637-R1640 PolarHBondContact O-N 2.84Å; I1637-E1641 PolarHBondContact O-N 3.05Å |
| 1638 | K | 83.1 | Confident | 83.2 | Confident | 95 Ų | 95 | 89.8 Ų | 89.8 | 41% | 0.413 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.5 | -45.4 | 177.8 | -74.1 | 175.2 | 178.7 | -179.3 | 0 | 110.8 | D1634 S1635 R1640 E1641 E1642 E1859 | D1634-K1638 WeakPolarHBondContact O-CB 3.3Å; D1634-K1638 VanDerWaalsContact O-CG 3.3Å; D1634-K1638 WeakPolarHBondContact O-CG 3.47Å; D1634-K1638 PolarHBondContact O-N 3.05Å; S1635-K1638 PolarHBondContact O-N 3.34Å; K1638-R1640 PolarHBondContact O-N 3.23Å; K1638-E1641 WeakPolarHBondContact O-CB 2.99Å; K1638-E1641 PolarHBondContact O-N 3.47Å; K1638-E1641 VanDerWaalsContact O-N 3.15Å; K1638-E1642 WeakPolarHBondContact O-CG 3.41Å; K1638-E1642 PolarHBondContact O-N 3.18Å; K1638-E1859 IonicContact NZ-OE1 2.8Å; K1638-E1859 PolarHBondContact NZ-OE1 3.04Å |
| 1639 | G | 84 | Confident | 83.5 | Confident | 34 Ų | 34 | 91.6 Ų | 91.6 | 35% | 0.351 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -61.3 | -39.3 | 173 | 0 | 0 | 0 | 0 | 0 | 114 | S1635 E1642 A1643 | S1635-G1639 PolarHBondContact O-N 3.04Å; G1639-E1642 PolarHBondContact O-N 3.02Å; G1639-A1643 WeakPolarHBondContact O-CB 2.85Å; G1639-A1643 PolarHBondContact O-N 3.37Å |
| 1640 | R | 84.9 | Confident | 83.6 | Confident | 149 Ų | 149 | 92.2 Ų | 92.2 | 56% | 0.562 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -63.8 | -42.1 | 172.3 | -176 | -162.1 | 66.2 | 174.1 | -1.4 | 111.8 | A1636 I1637 K1638 I1644 | A1636-R1640 VanDerWaalsContact O-CB 3.3Å; A1636-R1640 WeakPolarHBondContact O-CB 2.96Å; A1636-R1640 PolarHBondContact O-N 2.66Å; I1637-R1640 PolarHBondContact O-N 2.84Å; K1638-R1640 PolarHBondContact O-N 3.23Å; R1640-I1644 HydrophobicContact CG-CD1 4.08Å; R1640-I1644 VanDerWaalsContact O-CG1 3.3Å; R1640-I1644 WeakPolarHBondContact O-CG1 3.14Å; R1640-I1644 PolarHBondContact O-N 2.94Å |
| 1641 | E | 85.2 | Confident | 83.6 | Confident | 69 Ų | 69 | 92 Ų | 92 | 32% | 0.322 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -64.7 | -39.9 | 175.2 | -78.8 | -153.3 | 176.8 | 0 | 0 | 112.5 | I1637 K1638 I1644 K1645 | I1637-E1641 PolarHBondContact O-N 3.05Å; K1638-E1641 WeakPolarHBondContact O-CB 2.99Å; K1638-E1641 PolarHBondContact O-N 3.47Å; K1638-E1641 VanDerWaalsContact O-N 3.15Å; E1641-I1644 PolarHBondContact O-N 3.15Å; E1641-K1645 WeakPolarHBondContact O-CB 3.38Å; E1641-K1645 WeakPolarHBondContact O-CD 3.26Å; E1641-K1645 WeakPolarHBondContact O-CG 3.24Å; E1641-K1645 PolarHBondContact O-N 3.27Å; E1641-K1645 WeakPolarHBondContact OE2-CE 3.35Å; E1641-K1645 IonicContact OE2-NZ 2.63Å; E1641-K1645 PolarHBondContact OE2-NZ 3.48Å |
| 1642 | E | 84.7 | Confident | 83.6 | Confident | 121 Ų | 121 | 90.3 Ų | 90.3 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -64.2 | -44.7 | 176.7 | -75.3 | 168.4 | -169.2 | 0 | 0 | 111.4 | K1638 G1639 I1644 K1645 Q1646 | K1638-E1642 WeakPolarHBondContact O-CG 3.41Å; K1638-E1642 PolarHBondContact O-N 3.18Å; G1639-E1642 PolarHBondContact O-N 3.02Å; E1642-I1644 VanDerWaalsContact C-N 3.34Å; E1642-I1644 PolarHBondContact O-N 3.44Å; E1642-K1645 PolarHBondContact O-N 2.97Å; E1642-Q1646 WeakPolarHBondContact O-CB 2.75Å; E1642-Q1646 PolarHBondContact O-N 3.46Å |
| 1643 | A | 84.6 | Confident | 83.6 | Confident | 56 Ų | 56 | 88.7 Ų | 88.7 | 46% | 0.463 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -58.4 | -42.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | G1639 Q1646 L1647 | G1639-A1643 WeakPolarHBondContact O-CB 2.85Å; G1639-A1643 PolarHBondContact O-N 3.37Å; A1643-Q1646 PolarHBondContact O-N 3.22Å; A1643-L1647 WeakPolarHBondContact O-CB 3.11Å; A1643-L1647 PolarHBondContact O-N 3.35Å |
| 1644 | I | 85.2 | Confident | 83.5 | Confident | 70 Ų | 70 | 91 Ų | 91 | 36% | 0.359 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.2 | -37.3 | 176.7 | -68.2 | 167 | 0 | 0 | 0 | 111.7 | R1640 E1641 E1642 R1648 | R1640-I1644 HydrophobicContact CG-CD1 4.08Å; R1640-I1644 VanDerWaalsContact O-CG1 3.3Å; R1640-I1644 WeakPolarHBondContact O-CG1 3.14Å; R1640-I1644 PolarHBondContact O-N 2.94Å; E1641-I1644 PolarHBondContact O-N 3.15Å; E1642-I1644 VanDerWaalsContact C-N 3.34Å; E1642-I1644 PolarHBondContact O-N 3.44Å; I1644-R1648 WeakPolarHBondContact O-CB 3.45Å; I1644-R1648 VanDerWaalsContact O-CG 3.31Å; I1644-R1648 WeakPolarHBondContact O-CG 2.88Å; I1644-R1648 PolarHBondContact O-N 3.16Å; I1644-R1648 VanDerWaalsContact O-N 3.09Å |
| 1645 | K | 84.9 | Confident | 83.4 | Confident | 117 Ų | 117 | 95.8 Ų | 95.8 | 51% | 0.509 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -64.6 | -42.6 | 173.6 | -72.1 | 159.4 | -167.2 | 160.1 | 0 | 110.8 | E1641 E1642 R1648 K1649 | E1641-K1645 WeakPolarHBondContact O-CB 3.38Å; E1641-K1645 WeakPolarHBondContact O-CD 3.26Å; E1641-K1645 WeakPolarHBondContact O-CG 3.24Å; E1641-K1645 PolarHBondContact O-N 3.27Å; E1641-K1645 WeakPolarHBondContact OE2-CE 3.35Å; E1641-K1645 IonicContact OE2-NZ 2.63Å; E1641-K1645 PolarHBondContact OE2-NZ 3.48Å; E1642-K1645 PolarHBondContact O-N 2.97Å; K1645-R1648 PolarHBondContact O-N 3.09Å; K1645-K1649 WeakPolarHBondContact O-CB 3.31Å; K1645-K1649 PolarHBondContact O-N 3.44Å |
| 1646 | Q | 86.1 | Confident | 83.3 | Confident | 128 Ų | 128 | 95.7 Ų | 95.7 | 60% | 0.598 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -68.1 | -44 | 178.7 | -172.1 | 172.7 | 2.4 | 0 | 0 | 112 | E1642 A1643 R1648 K1649 L1650 | E1642-Q1646 WeakPolarHBondContact O-CB 2.75Å; E1642-Q1646 PolarHBondContact O-N 3.46Å; A1643-Q1646 PolarHBondContact O-N 3.22Å; Q1646-R1648 VanDerWaalsContact C-N 3.34Å; Q1646-R1648 PolarHBondContact O-N 2.81Å; Q1646-K1649 PolarHBondContact O-N 2.89Å; Q1646-L1650 HydrophobicContact CG-CD1 4.26Å; Q1646-L1650 WeakPolarHBondContact O-CG 2.99Å; Q1646-L1650 PolarHBondContact O-N 3.28Å |
| 1647 | L | 84.1 | Confident | 83.1 | Confident | 96 Ų | 96 | 98.7 Ų | 98.7 | 50% | 0.503 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -55.4 | -49.5 | 173.1 | -174.7 | 78.7 | 0 | 0 | 0 | 111 | A1643 K1649 L1650 Q1651 | A1643-L1647 WeakPolarHBondContact O-CB 3.11Å; A1643-L1647 PolarHBondContact O-N 3.35Å; L1647-K1649 VanDerWaalsContact C-N 3.35Å; L1647-K1649 PolarHBondContact O-N 2.88Å; L1647-L1650 PolarHBondContact O-N 2.89Å; L1647-Q1651 WeakPolarHBondContact O-CB 2.96Å; L1647-Q1651 WeakPolarHBondContact O-CG 3.31Å; L1647-Q1651 PolarHBondContact O-N 2.85Å |
| 1648 | R | 85.2 | Confident | 82.8 | Confident | 172 Ų | 172 | 99.8 Ų | 99.8 | 65% | 0.649 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -64.1 | -37.2 | 177.4 | -73.2 | 176.1 | -179.1 | 179.3 | 2.4 | 112.7 | I1644 K1645 Q1646 A1652 | I1644-R1648 WeakPolarHBondContact O-CB 3.45Å; I1644-R1648 VanDerWaalsContact O-CG 3.31Å; I1644-R1648 WeakPolarHBondContact O-CG 2.88Å; I1644-R1648 PolarHBondContact O-N 3.16Å; I1644-R1648 VanDerWaalsContact O-N 3.09Å; K1645-R1648 PolarHBondContact O-N 3.09Å; Q1646-R1648 VanDerWaalsContact C-N 3.34Å; Q1646-R1648 PolarHBondContact O-N 2.81Å; R1648-A1652 WeakPolarHBondContact O-CB 3.33Å; R1648-A1652 PolarHBondContact O-N 2.95Å |
| 1649 | K | 85.3 | Confident | 82.6 | Confident | 133 Ų | 133 | 103.4 Ų | 103.4 | 58% | 0.578 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.7 | -44.5 | 175.3 | -174.1 | 179.3 | 175.7 | 177.9 | 0 | 111.2 | K1645 Q1646 L1647 A1652 Q1653 | K1645-K1649 WeakPolarHBondContact O-CB 3.31Å; K1645-K1649 PolarHBondContact O-N 3.44Å; Q1646-K1649 PolarHBondContact O-N 2.89Å; L1647-K1649 VanDerWaalsContact C-N 3.35Å; L1647-K1649 PolarHBondContact O-N 2.88Å; K1649-A1652 PolarHBondContact O-N 3.47Å; K1649-Q1653 HydrophobicContact CG-CG 4.34Å; K1649-Q1653 WeakPolarHBondContact O-CB 3.41Å; K1649-Q1653 VanDerWaalsContact O-CG 3.29Å; K1649-Q1653 WeakPolarHBondContact O-CG 3.21Å; K1649-Q1653 PolarHBondContact O-N 3.37Å |
| 1650 | L | 82.3 | Confident | 82.2 | Confident | 100 Ų | 100 | 107.5 Ų | 107.5 | 52% | 0.524 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 176.7 | -68.7 | 169.9 | 0 | 0 | 0 | 111.7 | Q1646 L1647 A1652 Q1653 M1654 | Q1646-L1650 HydrophobicContact CG-CD1 4.26Å; Q1646-L1650 WeakPolarHBondContact O-CG 2.99Å; Q1646-L1650 PolarHBondContact O-N 3.28Å; L1647-L1650 PolarHBondContact O-N 2.89Å; L1650-A1652 VanDerWaalsContact C-N 3.34Å; L1650-A1652 PolarHBondContact O-N 2.74Å; L1650-Q1653 PolarHBondContact O-N 2.97Å; L1650-M1654 WeakPolarHBondContact O-CB 2.93Å; L1650-M1654 PolarHBondContact O-N 3.31Å |
| 1651 | Q | 81.4 | Confident | 81.8 | Confident | 85 Ų | 85 | 104.7 Ų | 104.7 | 40% | 0.397 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -34.5 | 174.7 | -74.4 | 178.6 | -22.7 | 0 | 0 | 113.1 | L1647 K1655 | L1647-Q1651 WeakPolarHBondContact O-CB 2.96Å; L1647-Q1651 WeakPolarHBondContact O-CG 3.31Å; L1647-Q1651 PolarHBondContact O-N 2.85Å; Q1651-K1655 WeakPolarHBondContact O-CG 3.31Å; Q1651-K1655 PolarHBondContact O-N 3.38Å |
| 1652 | A | 81.9 | Confident | 81.4 | Confident | 42 Ų | 42 | 105.4 Ų | 105.4 | 35% | 0.347 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.4 | -57.8 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | R1648 K1649 L1650 M1654 K1655 D1656 | R1648-A1652 WeakPolarHBondContact O-CB 3.33Å; R1648-A1652 PolarHBondContact O-N 2.95Å; K1649-A1652 PolarHBondContact O-N 3.47Å; L1650-A1652 VanDerWaalsContact C-N 3.34Å; L1650-A1652 PolarHBondContact O-N 2.74Å; A1652-M1654 VanDerWaalsContact C-N 3.25Å; A1652-M1654 PolarHBondContact O-N 3.49Å; A1652-M1654 VanDerWaalsContact O-N 3.13Å; A1652-K1655 CarbonylContact O-C 3.54Å; A1652-K1655 WeakPolarHBondContact O-CA 3.22Å; A1652-K1655 WeakPolarHBondContact O-CB 3.45Å; A1652-K1655 PolarHBondContact O-N 2.95Å; A1652-D1656 VanDerWaalsContact C-OD2 3.23Å; A1652-D1656 PolarHBondContact O-N 3.36Å; A1652-D1656 VanDerWaalsContact O-OD2 3.11Å |
| 1653 | Q | 82.3 | Confident | 81 | Confident | 74 Ų | 74 | 104.2 Ų | 104.2 | 35% | 0.346 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -55.3 | -36.2 | -178.8 | -71.7 | -177.9 | -71.8 | 0 | 0 | 113.3 | K1649 L1650 D1656 F1657 | K1649-Q1653 HydrophobicContact CG-CG 4.34Å; K1649-Q1653 WeakPolarHBondContact O-CB 3.41Å; K1649-Q1653 VanDerWaalsContact O-CG 3.29Å; K1649-Q1653 WeakPolarHBondContact O-CG 3.21Å; K1649-Q1653 PolarHBondContact O-N 3.37Å; L1650-Q1653 PolarHBondContact O-N 2.97Å; Q1653-D1656 PolarHBondContact O-N 3.39Å; Q1653-F1657 HydrophobicContact CB-CE2 4.45Å; Q1653-F1657 WeakPolarHBondContact O-CB 3.4Å; Q1653-F1657 WeakPolarHBondContact O-CD2 2.82Å; Q1653-F1657 WeakPolarHBondContact O-CG 3.5Å; Q1653-F1657 PolarHBondContact O-N 3.14Å |
| 1654 | M | 77.8 | Confident | 80.6 | Confident | 97 Ų | 97 | 104.1 Ų | 104.1 | 48% | 0.478 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.7 | -35.8 | 175.4 | -162.5 | -174.2 | 82.4 | 0 | 0 | 112.5 | L1650 A1652 Q1658 | L1650-M1654 WeakPolarHBondContact O-CB 2.93Å; L1650-M1654 PolarHBondContact O-N 3.31Å; A1652-M1654 VanDerWaalsContact C-N 3.25Å; A1652-M1654 PolarHBondContact O-N 3.49Å; A1652-M1654 VanDerWaalsContact O-N 3.13Å; M1654-Q1658 WeakPolarHBondContact O-CB 3.23Å; M1654-Q1658 WeakPolarHBondContact O-CG 3.26Å; M1654-Q1658 PolarHBondContact O-N 3.44Å |
| 1655 | K | 80 | Confident | 80.2 | Confident | 144 Ų | 144 | 106.3 Ų | 106.3 | 63% | 0.626 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -72.1 | -38 | 172.5 | -73.8 | -174.7 | 175.5 | -170.6 | 0 | 112 | Q1651 A1652 Q1658 R1659 | Q1651-K1655 WeakPolarHBondContact O-CG 3.31Å; Q1651-K1655 PolarHBondContact O-N 3.38Å; A1652-K1655 CarbonylContact O-C 3.54Å; A1652-K1655 WeakPolarHBondContact O-CA 3.22Å; A1652-K1655 WeakPolarHBondContact O-CB 3.45Å; A1652-K1655 PolarHBondContact O-N 2.95Å; K1655-Q1658 PolarHBondContact O-N 3.01Å; K1655-R1659 VanDerWaalsContact O-CB 3.27Å; K1655-R1659 WeakPolarHBondContact O-CB 2.99Å; K1655-R1659 PolarHBondContact O-N 3.04Å |
| 1656 | D | 80.4 | Confident | 79.8 | Confident | 81 Ų | 81 | 103.3 Ų | 103.3 | 43% | 0.433 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -65.7 | -46.6 | 177.6 | -58.1 | -34.9 | 0 | 0 | 0 | 109.9 | A1652 Q1653 Q1658 R1659 E1660 | A1652-D1656 VanDerWaalsContact C-OD2 3.23Å; A1652-D1656 PolarHBondContact O-N 3.36Å; A1652-D1656 VanDerWaalsContact O-OD2 3.11Å; Q1653-D1656 PolarHBondContact O-N 3.39Å; D1656-Q1658 PolarHBondContact O-N 3.02Å; D1656-R1659 CarbonylContact O-C 3.58Å; D1656-R1659 WeakPolarHBondContact O-CB 2.96Å; D1656-R1659 PolarHBondContact O-N 2.79Å; D1656-R1659 VanDerWaalsContact O-N 3.09Å; D1656-E1660 WeakPolarHBondContact O-CG 3.47Å; D1656-E1660 PolarHBondContact O-N 3.41Å |
| 1657 | F | 79.1 | Confident | 79.3 | Confident | 131 Ų | 131 | 99.6 Ų | 99.6 | 58% | 0.575 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -65.1 | -34.4 | 172.4 | -69.1 | -42.8 | 0 | 0 | 0 | 113.7 | Q1653 R1659 E1660 L1661 | Q1653-F1657 HydrophobicContact CB-CE2 4.45Å; Q1653-F1657 WeakPolarHBondContact O-CB 3.4Å; Q1653-F1657 WeakPolarHBondContact O-CD2 2.82Å; Q1653-F1657 WeakPolarHBondContact O-CG 3.5Å; Q1653-F1657 PolarHBondContact O-N 3.14Å; F1657-R1659 VanDerWaalsContact C-N 3.32Å; F1657-E1660 WeakPolarHBondContact CD1-OE2 3.1Å; F1657-L1661 VanDerWaalsContact O-CB 3.24Å; F1657-L1661 WeakPolarHBondContact O-CB 2.79Å; F1657-L1661 PolarHBondContact O-N 2.88Å |
| 1658 | Q | 76.8 | Confident | 78.9 | Confident | 101 Ų | 101 | 101.9 Ų | 101.9 | 47% | 0.472 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 170.3 | -83.6 | -178.6 | -16.4 | 0 | 0 | 111 | M1654 K1655 D1656 L1661 E1662 | M1654-Q1658 WeakPolarHBondContact O-CB 3.23Å; M1654-Q1658 WeakPolarHBondContact O-CG 3.26Å; M1654-Q1658 PolarHBondContact O-N 3.44Å; K1655-Q1658 PolarHBondContact O-N 3.01Å; D1656-Q1658 PolarHBondContact O-N 3.02Å; Q1658-L1661 PolarHBondContact O-N 3.01Å; Q1658-E1662 WeakPolarHBondContact O-CB 3.5Å; Q1658-E1662 WeakPolarHBondContact O-CG 3.36Å; Q1658-E1662 PolarHBondContact O-N 3.34Å |
| 1659 | R | 78 | Confident | 78.5 | Confident | 171 Ų | 171 | 97.3 Ų | 97.3 | 65% | 0.645 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -70 | -46 | 180 | -161.7 | 176.2 | -168 | 172.1 | 2.9 | 111.6 | K1655 D1656 F1657 L1661 E1662 D1663 | K1655-R1659 VanDerWaalsContact O-CB 3.27Å; K1655-R1659 WeakPolarHBondContact O-CB 2.99Å; K1655-R1659 PolarHBondContact O-N 3.04Å; D1656-R1659 CarbonylContact O-C 3.58Å; D1656-R1659 WeakPolarHBondContact O-CB 2.96Å; D1656-R1659 PolarHBondContact O-N 2.79Å; D1656-R1659 VanDerWaalsContact O-N 3.09Å; F1657-R1659 VanDerWaalsContact C-N 3.32Å; R1659-L1661 VanDerWaalsContact C-N 3.28Å; R1659-L1661 PolarHBondContact O-N 2.87Å; R1659-E1662 CarbonylContact O-C 3.52Å; R1659-E1662 PolarHBondContact O-N 3.14Å; R1659-E1662 VanDerWaalsContact O-N 3.08Å; R1659-D1663 WeakPolarHBondContact O-CB 3.35Å; R1659-D1663 VanDerWaalsContact O-CG 3.25Å; R1659-D1663 PolarHBondContact O-N 3.05Å |
| 1660 | E | 76.8 | Confident | 78 | Confident | 121 Ų | 121 | 97.3 Ų | 97.3 | 57% | 0.565 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -57 | -39.7 | 169.9 | -73 | 177.9 | 175.3 | 0 | 0 | 111.9 | D1656 F1657 A1664 | D1656-E1660 WeakPolarHBondContact O-CG 3.47Å; D1656-E1660 PolarHBondContact O-N 3.41Å; F1657-E1660 WeakPolarHBondContact CD1-OE2 3.1Å; E1660-A1664 WeakPolarHBondContact O-CA 3.45Å; E1660-A1664 WeakPolarHBondContact O-CB 3.41Å; E1660-A1664 PolarHBondContact O-N 2.89Å |
| 1661 | L | 75.7 | Confident | 77.6 | Confident | 89 Ų | 89 | 98 Ų | 98 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -68.8 | -35.3 | 175.4 | -170.8 | 77.7 | 0 | 0 | 0 | 112.2 | F1657 Q1658 R1659 R1665 | F1657-L1661 VanDerWaalsContact O-CB 3.24Å; F1657-L1661 WeakPolarHBondContact O-CB 2.79Å; F1657-L1661 PolarHBondContact O-N 2.88Å; Q1658-L1661 PolarHBondContact O-N 3.01Å; R1659-L1661 VanDerWaalsContact C-N 3.28Å; R1659-L1661 PolarHBondContact O-N 2.87Å; L1661-R1665 WeakPolarHBondContact O-CB 3.25Å; L1661-R1665 WeakPolarHBondContact O-CD 3.43Å; L1661-R1665 WeakPolarHBondContact O-CG 3.43Å; L1661-R1665 PolarHBondContact O-N 2.65Å |
| 1662 | E | 76.5 | Confident | 77.3 | Confident | 85 Ų | 85 | 100.9 Ų | 100.9 | 40% | 0.397 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -76.6 | -35.6 | 176.1 | -71.9 | -158.5 | 171.2 | 0 | 0 | 112.7 | R945 Q1658 R1659 R1665 A1666 | R945-E1662 IonicContact CZ-OE1 3.55Å; R945-E1662 IonicContact CZ-OE2 2.67Å; R945-E1662 IonicContact NH1-OE1 3.86Å; R945-E1662 PolarHBondContact NH1-OE1 2.84Å; R945-E1662 IonicContact NH1-OE2 3.15Å; R945-E1662 PolarHBondContact NH1-OE2 2.95Å; R945-E1662 IonicContact NH2-OE2 2.81Å; Q1658-E1662 WeakPolarHBondContact O-CB 3.5Å; Q1658-E1662 WeakPolarHBondContact O-CG 3.36Å; Q1658-E1662 PolarHBondContact O-N 3.34Å; R1659-E1662 CarbonylContact O-C 3.52Å; R1659-E1662 PolarHBondContact O-N 3.14Å; R1659-E1662 VanDerWaalsContact O-N 3.08Å; E1662-R1665 CarbonylContact O-C 3.51Å; E1662-R1665 PolarHBondContact O-N 3.46Å; E1662-A1666 VanDerWaalsContact O-CB 3.22Å; E1662-A1666 WeakPolarHBondContact O-CB 3.42Å; E1662-A1666 PolarHBondContact O-N 3.03Å |
| 1663 | D | 77.7 | Confident | 76.9 | Confident | 95 Ų | 95 | 101.5 Ų | 101.5 | 51% | 0.508 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -74.9 | -33.2 | 174.9 | -66.9 | -23 | 0 | 0 | 0 | 110.9 | R1659 S1667 | R1659-D1663 WeakPolarHBondContact O-CB 3.35Å; R1659-D1663 VanDerWaalsContact O-CG 3.25Å; R1659-D1663 PolarHBondContact O-N 3.05Å; D1663-S1667 VanDerWaalsContact O-CB 3.25Å; D1663-S1667 WeakPolarHBondContact O-CB 3.22Å; D1663-S1667 PolarHBondContact O-N 2.72Å; D1663-S1667 PolarHBondContact O-OG 3.37Å |
| 1664 | A | 74.5 | Confident | 76.5 | Confident | 55 Ų | 55 | 100.8 Ų | 100.8 | 46% | 0.455 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -71.2 | -30.3 | 168.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | E1660 S1667 R1668 | E1660-A1664 WeakPolarHBondContact O-CA 3.45Å; E1660-A1664 WeakPolarHBondContact O-CB 3.41Å; E1660-A1664 PolarHBondContact O-N 2.89Å; A1664-S1667 WeakPolarHBondContact CA-OG 3.24Å; A1664-S1667 PolarHBondContact O-OG 3.33Å; A1664-R1668 WeakPolarHBondContact O-CB 3.16Å; A1664-R1668 PolarHBondContact O-N 3.35Å |
| 1665 | R | 76.9 | Confident | 76.3 | Confident | 116 Ų | 116 | 98.4 Ų | 98.4 | 44% | 0.438 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -75.2 | -42.5 | 170 | -78.6 | 170.3 | -178.7 | -178.2 | 3.5 | 111.7 | L1661 E1662 R1668 D1669 | L1661-R1665 WeakPolarHBondContact O-CB 3.25Å; L1661-R1665 WeakPolarHBondContact O-CD 3.43Å; L1661-R1665 WeakPolarHBondContact O-CG 3.43Å; L1661-R1665 PolarHBondContact O-N 2.65Å; E1662-R1665 CarbonylContact O-C 3.51Å; E1662-R1665 PolarHBondContact O-N 3.46Å; R1665-R1668 PolarHBondContact O-N 3.38Å; R1665-D1669 VanDerWaalsContact O-CB 3.23Å; R1665-D1669 WeakPolarHBondContact O-CB 3.43Å; R1665-D1669 PolarHBondContact O-N 2.95Å |
| 1666 | A | 77.3 | Confident | 76.1 | Confident | 53 Ų | 53 | 96.1 Ų | 96.1 | 44% | 0.438 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.4 | -48.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.1 | E1662 D1669 E1670 | E1662-A1666 VanDerWaalsContact O-CB 3.22Å; E1662-A1666 WeakPolarHBondContact O-CB 3.42Å; E1662-A1666 PolarHBondContact O-N 3.03Å; A1666-D1669 CarbonylContact O-C 3.57Å; A1666-D1669 PolarHBondContact O-N 3.39Å; A1666-E1670 WeakPolarHBondContact O-CB 3.34Å; A1666-E1670 PolarHBondContact O-N 3.26Å |
| 1667 | S | 75.9 | Confident | 75.7 | Confident | 50 Ų | 50 | 96.7 Ų | 96.7 | 35% | 0.35 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -67.3 | -33.6 | 174.5 | 58.5 | 0 | 0 | 0 | 0 | 112.9 | D1663 A1664 I1671 | D1663-S1667 VanDerWaalsContact O-CB 3.25Å; D1663-S1667 WeakPolarHBondContact O-CB 3.22Å; D1663-S1667 PolarHBondContact O-N 2.72Å; D1663-S1667 PolarHBondContact O-OG 3.37Å; A1664-S1667 WeakPolarHBondContact CA-OG 3.24Å; A1664-S1667 PolarHBondContact O-OG 3.33Å; S1667-I1671 WeakPolarHBondContact O-CB 3.2Å; S1667-I1671 WeakPolarHBondContact O-CD1 3.49Å; S1667-I1671 WeakPolarHBondContact O-CG1 3.38Å; S1667-I1671 PolarHBondContact O-N 3.01Å |
| 1668 | R | 75.2 | Confident | 75.4 | Confident | 144 Ų | 144 | 95.2 Ų | 95.2 | 54% | 0.543 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -62.5 | -43.7 | 168.9 | -176 | -157.1 | 71.1 | 168.9 | -1.4 | 111.5 | A1664 R1665 I1671 F1672 | A1664-R1668 WeakPolarHBondContact O-CB 3.16Å; A1664-R1668 PolarHBondContact O-N 3.35Å; R1665-R1668 PolarHBondContact O-N 3.38Å; R1668-I1671 CarbonylContact O-C 3.35Å; R1668-I1671 PolarHBondContact O-N 2.85Å; R1668-F1672 WeakPolarHBondContact O-CB 3.32Å; R1668-F1672 PolarHBondContact O-N 3.27Å |
| 1669 | D | 76.9 | Confident | 75.2 | Confident | 77 Ų | 77 | 95.1 Ų | 95.1 | 41% | 0.412 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -78.6 | -23.6 | -176.3 | -65.6 | -10.3 | 0 | 0 | 0 | 111.5 | R1665 A1666 F1672 A1673 | R1665-D1669 VanDerWaalsContact O-CB 3.23Å; R1665-D1669 WeakPolarHBondContact O-CB 3.43Å; R1665-D1669 PolarHBondContact O-N 2.95Å; A1666-D1669 CarbonylContact O-C 3.57Å; A1666-D1669 PolarHBondContact O-N 3.39Å; D1669-F1672 CarbonylContact O-C 3.59Å; D1669-A1673 WeakPolarHBondContact O-CA 3.45Å; D1669-A1673 WeakPolarHBondContact O-CB 3.42Å; D1669-A1673 PolarHBondContact O-N 2.69Å |
| 1670 | E | 74.1 | Confident | 74.9 | Confident | 133 Ų | 133 | 93.7 Ų | 93.7 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -79.7 | -34.2 | 168.6 | -173.9 | 174.5 | -124 | 0 | 0 | 111.3 | A1666 F1672 A1673 T1674 | A1666-E1670 WeakPolarHBondContact O-CB 3.34Å; A1666-E1670 PolarHBondContact O-N 3.26Å; E1670-F1672 VanDerWaalsContact C-N 3.33Å; E1670-A1673 PolarHBondContact O-N 2.96Å; E1670-T1674 VanDerWaalsContact O-CB 3.27Å; E1670-T1674 WeakPolarHBondContact O-CB 3.19Å; E1670-T1674 VanDerWaalsContact O-CG2 3.3Å; E1670-T1674 WeakPolarHBondContact O-CG2 3.47Å; E1670-T1674 PolarHBondContact O-N 2.84Å; E1670-T1674 PolarHBondContact O-OG1 3.23Å |
| 1671 | I | 73.6 | Confident | 74.5 | Confident | 114 Ų | 114 | 92 Ų | 92 | 59% | 0.585 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.2 | -37.4 | 165 | -73.8 | 163.8 | 0 | 0 | 0 | 109.8 | S1667 R1668 T1674 A1675 | S1667-I1671 WeakPolarHBondContact O-CB 3.2Å; S1667-I1671 WeakPolarHBondContact O-CD1 3.49Å; S1667-I1671 WeakPolarHBondContact O-CG1 3.38Å; S1667-I1671 PolarHBondContact O-N 3.01Å; R1668-I1671 CarbonylContact O-C 3.35Å; R1668-I1671 PolarHBondContact O-N 2.85Å; I1671-T1674 WeakPolarHBondContact CA-OG1 3.41Å; I1671-T1674 PolarHBondContact O-OG1 2.9Å; I1671-A1675 WeakPolarHBondContact O-CA 3.4Å; I1671-A1675 WeakPolarHBondContact O-CB 3.33Å; I1671-A1675 PolarHBondContact O-N 3.01Å |
| 1672 | F | 75.5 | Confident | 74.2 | Confident | 145 Ų | 145 | 90.1 Ų | 90.1 | 64% | 0.636 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -72.7 | -37.5 | 174.7 | -127.6 | -81.4 | 0 | 0 | 0 | 111.8 | R1668 D1669 E1670 A1675 K1676 | R1668-F1672 WeakPolarHBondContact O-CB 3.32Å; R1668-F1672 PolarHBondContact O-N 3.27Å; D1669-F1672 CarbonylContact O-C 3.59Å; E1670-F1672 VanDerWaalsContact C-N 3.33Å; F1672-A1675 PolarHBondContact O-N 3.2Å; F1672-K1676 VanDerWaalsContact O-CB 3.27Å; F1672-K1676 WeakPolarHBondContact O-CB 3.37Å; F1672-K1676 PolarHBondContact O-N 2.82Å |
| 1673 | A | 74.4 | Confident | 74 | Confident | 56 Ų | 56 | 91.5 Ų | 91.5 | 46% | 0.463 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -69.6 | -45.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | D1669 E1670 A1675 K1676 E1677 | D1669-A1673 WeakPolarHBondContact O-CA 3.45Å; D1669-A1673 WeakPolarHBondContact O-CB 3.42Å; D1669-A1673 PolarHBondContact O-N 2.69Å; E1670-A1673 PolarHBondContact O-N 2.96Å; A1673-A1675 VanDerWaalsContact C-N 3.29Å; A1673-A1675 PolarHBondContact O-N 2.86Å; A1673-K1676 CarbonylContact O-C 3.46Å; A1673-K1676 PolarHBondContact O-N 3.05Å; A1673-E1677 WeakPolarHBondContact O-CA 3.5Å; A1673-E1677 WeakPolarHBondContact O-CB 3.48Å; A1673-E1677 PolarHBondContact O-N 3.45Å |
| 1674 | T | 74.1 | Confident | 73.5 | Confident | 58 Ų | 58 | 89.1 Ų | 89.1 | 36% | 0.356 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -70.9 | -21.4 | 172 | 57.1 | 0 | 0 | 0 | 0 | 112.3 | E1670 I1671 N1678 | E1670-T1674 VanDerWaalsContact O-CB 3.27Å; E1670-T1674 WeakPolarHBondContact O-CB 3.19Å; E1670-T1674 VanDerWaalsContact O-CG2 3.3Å; E1670-T1674 WeakPolarHBondContact O-CG2 3.47Å; E1670-T1674 PolarHBondContact O-N 2.84Å; E1670-T1674 PolarHBondContact O-OG1 3.23Å; I1671-T1674 WeakPolarHBondContact CA-OG1 3.41Å; I1671-T1674 PolarHBondContact O-OG1 2.9Å; T1674-N1678 WeakPolarHBondContact O-CA 3.36Å; T1674-N1678 WeakPolarHBondContact O-CB 3.47Å; T1674-N1678 PolarHBondContact O-N 2.67Å; T1674-N1678 PolarHBondContact O-ND2 2.95Å |
| 1675 | A | 73.6 | Confident | 73 | Confident | 47 Ų | 47 | 91.5 Ų | 91.5 | 39% | 0.388 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -75.1 | -42.4 | 166.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | I1671 F1672 A1673 E1677 N1678 E1679 | I1671-A1675 WeakPolarHBondContact O-CA 3.4Å; I1671-A1675 WeakPolarHBondContact O-CB 3.33Å; I1671-A1675 PolarHBondContact O-N 3.01Å; F1672-A1675 PolarHBondContact O-N 3.2Å; A1673-A1675 VanDerWaalsContact C-N 3.29Å; A1673-A1675 PolarHBondContact O-N 2.86Å; A1675-E1677 VanDerWaalsContact C-N 3.29Å; A1675-E1677 PolarHBondContact O-N 2.91Å; A1675-N1678 CarbonylContact O-C 3.58Å; A1675-N1678 PolarHBondContact O-N 2.94Å; A1675-E1679 VanDerWaalsContact O-CB 3.25Å; A1675-E1679 WeakPolarHBondContact O-CB 3.34Å; A1675-E1679 PolarHBondContact O-N 3.42Å |
| 1676 | K | 74.8 | Confident | 72.6 | Confident | 97 Ų | 97 | 92.3 Ų | 92.3 | 42% | 0.422 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.1 | -29 | 174.7 | -153 | 176.8 | -173.9 | -175.3 | 0 | 110.8 | E956 F1672 A1673 K1680 | E956-K1676 IonicContact OE1-NZ 3.2Å; E956-K1676 IonicContact OE2-NZ 2.68Å; E956-K1676 PolarHBondContact OE2-NZ 2.75Å; F1672-K1676 VanDerWaalsContact O-CB 3.27Å; F1672-K1676 WeakPolarHBondContact O-CB 3.37Å; F1672-K1676 PolarHBondContact O-N 2.82Å; A1673-K1676 CarbonylContact O-C 3.46Å; A1673-K1676 PolarHBondContact O-N 3.05Å; K1676-K1680 VanDerWaalsContact O-CB 3.32Å; K1676-K1680 WeakPolarHBondContact O-CB 3.48Å; K1676-K1680 WeakPolarHBondContact O-CG 3.31Å; K1676-K1680 PolarHBondContact O-N 3.36Å |
| 1677 | E | 72.3 | Confident | 72.1 | Confident | 93 Ų | 93 | 92.5 Ų | 92.5 | 44% | 0.435 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -83.5 | -32.8 | 172.9 | -157.3 | -147.2 | -175.7 | 0 | 0 | 111.9 | A1673 A1675 E1679 K1680 K1681 | A1673-E1677 WeakPolarHBondContact O-CA 3.5Å; A1673-E1677 WeakPolarHBondContact O-CB 3.48Å; A1673-E1677 PolarHBondContact O-N 3.45Å; A1675-E1677 VanDerWaalsContact C-N 3.29Å; A1675-E1677 PolarHBondContact O-N 2.91Å; E1677-E1679 VanDerWaalsContact C-N 3.33Å; E1677-K1680 CarbonylContact O-C 3.52Å; E1677-K1680 PolarHBondContact O-N 2.89Å; E1677-K1681 HydrophobicContact CG-CD 4.38Å; E1677-K1681 WeakPolarHBondContact O-CA 3.09Å; E1677-K1681 WeakPolarHBondContact O-CB 3.36Å; E1677-K1681 WeakPolarHBondContact O-CD 3.3Å; E1677-K1681 WeakPolarHBondContact O-CG 3.28Å; E1677-K1681 PolarHBondContact O-N 3.2Å; E1677-K1681 WeakPolarHBondContact OE1-CE 3.38Å; E1677-K1681 IonicContact OE1-NZ 3.72Å; E1677-K1681 PolarHBondContact OE1-NZ 2.98Å; E1677-K1681 IonicContact OE2-NZ 2.81Å; E1677-K1681 PolarHBondContact OE2-NZ 3.28Å |
| 1678 | N | 73.4 | Confident | 71.3 | Confident | 99 Ų | 99 | 93.1 Ų | 93.1 | 53% | 0.529 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.2 | -23.1 | 168.8 | -75.2 | -32 | 0 | 0 | 0 | 111.7 | T1674 A1675 K1681 A1682 | T1674-N1678 WeakPolarHBondContact O-CA 3.36Å; T1674-N1678 WeakPolarHBondContact O-CB 3.47Å; T1674-N1678 PolarHBondContact O-N 2.67Å; T1674-N1678 PolarHBondContact O-ND2 2.95Å; A1675-N1678 CarbonylContact O-C 3.58Å; A1675-N1678 PolarHBondContact O-N 2.94Å; N1678-K1681 CarbonylContact O-C 3.38Å; N1678-A1682 WeakPolarHBondContact O-CA 3.46Å; N1678-A1682 WeakPolarHBondContact O-CB 3.31Å; N1678-A1682 PolarHBondContact O-N 2.95Å |
| 1679 | E | 72.8 | Confident | 70.6 | Confident | 99 Ų | 99 | 91 Ų | 91 | 46% | 0.463 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -79.6 | -40.4 | 168.2 | -165.5 | -169.5 | 171.6 | 0 | 0 | 110.4 | A1675 E1677 K1681 A1682 K1683 | A1675-E1679 VanDerWaalsContact O-CB 3.25Å; A1675-E1679 WeakPolarHBondContact O-CB 3.34Å; A1675-E1679 PolarHBondContact O-N 3.42Å; E1677-E1679 VanDerWaalsContact C-N 3.33Å; E1679-K1681 VanDerWaalsContact C-N 3.32Å; E1679-K1681 PolarHBondContact O-N 2.97Å; E1679-A1682 PolarHBondContact O-N 2.57Å; E1679-K1683 HydrophobicContact CG-CD 4.45Å; E1679-K1683 WeakPolarHBondContact O-CB 3.44Å; E1679-K1683 WeakPolarHBondContact O-CG 3.32Å; E1679-K1683 PolarHBondContact O-N 2.89Å; E1679-K1683 WeakPolarHBondContact OE1-CE 3.39Å; E1679-K1683 IonicContact OE1-NZ 3.45Å; E1679-K1683 PolarHBondContact OE1-NZ 3.17Å |
| 1680 | K | 70.9 | Confident | 70.1 | Confident | 142 Ų | 142 | 93.9 Ų | 93.9 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -64.1 | -34 | 168.3 | -85.6 | -169.9 | 172.7 | -175.4 | 0 | 111.9 | K1676 E1677 S1684 | K1676-K1680 VanDerWaalsContact O-CB 3.32Å; K1676-K1680 WeakPolarHBondContact O-CB 3.48Å; K1676-K1680 WeakPolarHBondContact O-CG 3.31Å; K1676-K1680 PolarHBondContact O-N 3.36Å; E1677-K1680 CarbonylContact O-C 3.52Å; E1677-K1680 PolarHBondContact O-N 2.89Å; K1680-S1684 WeakPolarHBondContact O-CA 3.09Å; K1680-S1684 VanDerWaalsContact O-CB 3.24Å; K1680-S1684 WeakPolarHBondContact O-CB 3.47Å; K1680-S1684 PolarHBondContact O-N 3.01Å |
| 1681 | K | 69.2 | Low | 69.6 | Low | 86 Ų | 86 | 92 Ų | 92 | 37% | 0.374 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -82 | -15.8 | 170.8 | -72.2 | 165.3 | 179.5 | 162.2 | 0 | 113.1 | E1677 N1678 E1679 L1685 | E1677-K1681 HydrophobicContact CG-CD 4.38Å; E1677-K1681 WeakPolarHBondContact O-CA 3.09Å; E1677-K1681 WeakPolarHBondContact O-CB 3.36Å; E1677-K1681 WeakPolarHBondContact O-CD 3.3Å; E1677-K1681 WeakPolarHBondContact O-CG 3.28Å; E1677-K1681 PolarHBondContact O-N 3.2Å; E1677-K1681 WeakPolarHBondContact OE1-CE 3.38Å; E1677-K1681 IonicContact OE1-NZ 3.72Å; E1677-K1681 PolarHBondContact OE1-NZ 2.98Å; E1677-K1681 IonicContact OE2-NZ 2.81Å; E1677-K1681 PolarHBondContact OE2-NZ 3.28Å; N1678-K1681 CarbonylContact O-C 3.38Å; E1679-K1681 VanDerWaalsContact C-N 3.32Å; E1679-K1681 PolarHBondContact O-N 2.97Å; K1681-L1685 WeakPolarHBondContact O-CA 3.45Å; K1681-L1685 WeakPolarHBondContact O-CB 3.48Å; K1681-L1685 WeakPolarHBondContact O-CD1 3.35Å; K1681-L1685 WeakPolarHBondContact O-CG 3.48Å; K1681-L1685 PolarHBondContact O-N 2.81Å |
| 1682 | A | 68.5 | Low | 68.8 | Low | 48 Ų | 48 | 91.2 Ų | 91.2 | 40% | 0.397 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -79.8 | -41.8 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.5 | N1678 E1679 L1685 E1686 | N1678-A1682 WeakPolarHBondContact O-CA 3.46Å; N1678-A1682 WeakPolarHBondContact O-CB 3.31Å; N1678-A1682 PolarHBondContact O-N 2.95Å; E1679-A1682 PolarHBondContact O-N 2.57Å; A1682-L1685 CarbonylContact O-C 3.24Å; A1682-L1685 PolarHBondContact O-N 3.01Å; A1682-E1686 WeakPolarHBondContact O-CB 3.41Å; A1682-E1686 WeakPolarHBondContact O-CG 3.33Å; A1682-E1686 PolarHBondContact O-N 3.07Å |
| 1683 | K | 72 | Confident | 67.9 | Low | 115 Ų | 115 | 90.4 Ų | 90.4 | 50% | 0.5 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -71.5 | -31.6 | 172.1 | -68.4 | 172.2 | -171.9 | 167.5 | 0 | 112.1 | E1679 A1687 | E1679-K1683 HydrophobicContact CG-CD 4.45Å; E1679-K1683 WeakPolarHBondContact O-CB 3.44Å; E1679-K1683 WeakPolarHBondContact O-CG 3.32Å; E1679-K1683 PolarHBondContact O-N 2.89Å; E1679-K1683 WeakPolarHBondContact OE1-CE 3.39Å; E1679-K1683 IonicContact OE1-NZ 3.45Å; E1679-K1683 PolarHBondContact OE1-NZ 3.17Å; K1683-A1687 WeakPolarHBondContact O-CB 3.1Å; K1683-A1687 PolarHBondContact O-N 2.98Å |
| 1684 | S | 68.4 | Low | 67.3 | Low | 44 Ų | 44 | 94.2 Ų | 94.2 | 31% | 0.308 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70 | -49.5 | 164 | 119.3 | 0 | 0 | 0 | 0 | 109.2 | K1680 E1686 A1687 D1688 | K1680-S1684 WeakPolarHBondContact O-CA 3.09Å; K1680-S1684 VanDerWaalsContact O-CB 3.24Å; K1680-S1684 WeakPolarHBondContact O-CB 3.47Å; K1680-S1684 PolarHBondContact O-N 3.01Å; S1684-E1686 PolarHBondContact O-N 2.88Å; S1684-A1687 CarbonylContact O-C 3.05Å; S1684-A1687 PolarHBondContact O-N 2.87Å; S1684-A1687 VanDerWaalsContact O-N 3.08Å; S1684-D1688 VanDerWaalsContact C-OD2 3.22Å; S1684-D1688 VanDerWaalsContact CB-OD2 3.29Å; S1684-D1688 WeakPolarHBondContact CB-OD2 3.35Å; S1684-D1688 VanDerWaalsContact O-CA 3.25Å; S1684-D1688 WeakPolarHBondContact O-CA 3.18Å; S1684-D1688 WeakPolarHBondContact O-CB 2.83Å; S1684-D1688 PolarHBondContact O-N 3.37Å; S1684-D1688 PolarHBondContact OG-OD2 2.94Å |
| 1685 | L | 62.5 | Low | 66.4 | Low | 106 Ų | 106 | 95.2 Ų | 95.2 | 56% | 0.555 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -65.5 | -13 | 176.1 | -71.1 | 167.1 | 0 | 0 | 0 | 114.7 | K1681 A1682 L1689 | K1681-L1685 WeakPolarHBondContact O-CA 3.45Å; K1681-L1685 WeakPolarHBondContact O-CB 3.48Å; K1681-L1685 WeakPolarHBondContact O-CD1 3.35Å; K1681-L1685 WeakPolarHBondContact O-CG 3.48Å; K1681-L1685 PolarHBondContact O-N 2.81Å; A1682-L1685 CarbonylContact O-C 3.24Å; A1682-L1685 PolarHBondContact O-N 3.01Å; L1685-L1689 WeakPolarHBondContact O-CA 3.39Å; L1685-L1689 WeakPolarHBondContact O-CB 3.4Å; L1685-L1689 WeakPolarHBondContact O-CD1 3.3Å; L1685-L1689 WeakPolarHBondContact O-CG 3.02Å; L1685-L1689 PolarHBondContact O-N 2.85Å |
| 1686 | E | 68.4 | Low | 65.3 | Low | 133 Ų | 133 | 97.8 Ų | 97.8 | 62% | 0.621 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -84.3 | -48.5 | 165.5 | -81 | -170.1 | 129.9 | 0 | 0 | 112.1 | A1682 S1684 D1688 L1689 M1690 | A1682-E1686 WeakPolarHBondContact O-CB 3.41Å; A1682-E1686 WeakPolarHBondContact O-CG 3.33Å; A1682-E1686 PolarHBondContact O-N 3.07Å; S1684-E1686 PolarHBondContact O-N 2.88Å; E1686-D1688 VanDerWaalsContact C-N 3.32Å; E1686-L1689 CarbonylContact O-C 3.47Å; E1686-L1689 WeakPolarHBondContact O-CA 3.26Å; E1686-L1689 WeakPolarHBondContact O-CB 3.48Å; E1686-L1689 PolarHBondContact O-N 2.96Å; E1686-M1690 PolarHBondContact O-N 3.09Å |
| 1687 | A | 67 | Low | 64.6 | Low | 57 Ų | 57 | 95.9 Ų | 95.9 | 47% | 0.471 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.5 | -37.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | K1683 S1684 M1690 Q1691 | K1683-A1687 WeakPolarHBondContact O-CB 3.1Å; K1683-A1687 PolarHBondContact O-N 2.98Å; S1684-A1687 CarbonylContact O-C 3.05Å; S1684-A1687 PolarHBondContact O-N 2.87Å; S1684-A1687 VanDerWaalsContact O-N 3.08Å; A1687-M1690 CarbonylContact O-C 3.4Å; A1687-M1690 WeakPolarHBondContact O-CB 3.47Å; A1687-M1690 PolarHBondContact O-N 2.84Å; A1687-Q1691 WeakPolarHBondContact O-CB 3.28Å; A1687-Q1691 PolarHBondContact O-N 2.88Å |
| 1688 | D | 59.6 | Low | 63.9 | Low | 62 Ų | 62 | 93.2 Ų | 93.2 | 33% | 0.332 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -78.8 | -13.1 | 168.1 | -54.4 | -42.6 | 0 | 0 | 0 | 111.5 | S1684 E1686 L1692 | S1684-D1688 VanDerWaalsContact C-OD2 3.22Å; S1684-D1688 VanDerWaalsContact CB-OD2 3.29Å; S1684-D1688 WeakPolarHBondContact CB-OD2 3.35Å; S1684-D1688 VanDerWaalsContact O-CA 3.25Å; S1684-D1688 WeakPolarHBondContact O-CA 3.18Å; S1684-D1688 WeakPolarHBondContact O-CB 2.83Å; S1684-D1688 PolarHBondContact O-N 3.37Å; S1684-D1688 PolarHBondContact OG-OD2 2.94Å; E1686-D1688 VanDerWaalsContact C-N 3.32Å; D1688-L1692 WeakPolarHBondContact O-CA 3.42Å; D1688-L1692 WeakPolarHBondContact O-CB 3.42Å; D1688-L1692 WeakPolarHBondContact O-CD1 3.5Å; D1688-L1692 WeakPolarHBondContact O-CG 3.45Å; D1688-L1692 PolarHBondContact O-N 2.83Å |
| 1689 | L | 60 | Low | 63 | Low | 101 Ų | 101 | 90 Ų | 90 | 53% | 0.529 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -79.6 | -29.2 | 161 | -104.8 | 163.8 | 0 | 0 | 0 | 111 | L1685 E1686 Q1693 | L1685-L1689 WeakPolarHBondContact O-CA 3.39Å; L1685-L1689 WeakPolarHBondContact O-CB 3.4Å; L1685-L1689 WeakPolarHBondContact O-CD1 3.3Å; L1685-L1689 WeakPolarHBondContact O-CG 3.02Å; L1685-L1689 PolarHBondContact O-N 2.85Å; E1686-L1689 CarbonylContact O-C 3.47Å; E1686-L1689 WeakPolarHBondContact O-CA 3.26Å; E1686-L1689 WeakPolarHBondContact O-CB 3.48Å; E1686-L1689 PolarHBondContact O-N 2.96Å; L1689-Q1693 VanDerWaalsContact O-CB 3.27Å; L1689-Q1693 WeakPolarHBondContact O-CB 3.4Å; L1689-Q1693 WeakPolarHBondContact O-CG 3.32Å; L1689-Q1693 PolarHBondContact O-N 3.3Å |
| 1690 | M | 67.7 | Low | 61.9 | Low | 136 Ų | 136 | 90.9 Ų | 90.9 | 67% | 0.67 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -74.6 | -45.3 | 167 | -66.2 | -170.6 | 174.2 | 0 | 0 | 110.8 | E1686 A1687 Q1693 E1694 | E1686-M1690 PolarHBondContact O-N 3.09Å; A1687-M1690 CarbonylContact O-C 3.4Å; A1687-M1690 WeakPolarHBondContact O-CB 3.47Å; A1687-M1690 PolarHBondContact O-N 2.84Å; M1690-Q1693 WeakPolarHBondContact O-CA 3.22Å; M1690-Q1693 WeakPolarHBondContact O-CB 3.29Å; M1690-Q1693 PolarHBondContact O-N 3.48Å; M1690-E1694 PolarHBondContact O-N 2.9Å |
| 1691 | Q | 63.7 | Low | 61.2 | Low | 93 Ų | 93 | 93.5 Ų | 93.5 | 44% | 0.435 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 175.9 | -154.2 | 70.8 | 65.2 | 0 | 0 | 110.1 | A1687 Q1693 E1694 D1695 | A1687-Q1691 WeakPolarHBondContact O-CB 3.28Å; A1687-Q1691 PolarHBondContact O-N 2.88Å; Q1691-Q1693 VanDerWaalsContact C-N 3.3Å; Q1691-Q1693 PolarHBondContact O-N 3.17Å; Q1691-E1694 CarbonylContact O-C 3.53Å; Q1691-E1694 PolarHBondContact O-N 2.91Å; Q1691-D1695 WeakPolarHBondContact O-CA 3.32Å; Q1691-D1695 VanDerWaalsContact O-CB 3.23Å; Q1691-D1695 WeakPolarHBondContact O-CB 3.39Å; Q1691-D1695 PolarHBondContact O-N 3.31Å |
| 1692 | L | 55.8 | Low | 60.5 | Low | 98 Ų | 98 | 92.4 Ų | 92.4 | 51% | 0.513 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -76.5 | -6.1 | 169.5 | -64.7 | 166.3 | 0 | 0 | 0 | 113.4 | D1688 D1695 L1696 | D1688-L1692 WeakPolarHBondContact O-CA 3.42Å; D1688-L1692 WeakPolarHBondContact O-CB 3.42Å; D1688-L1692 WeakPolarHBondContact O-CD1 3.5Å; D1688-L1692 WeakPolarHBondContact O-CG 3.45Å; D1688-L1692 PolarHBondContact O-N 2.83Å; L1692-D1695 HydrophobicContact CD2-CB 4.32Å; L1692-L1696 WeakPolarHBondContact O-CA 3.36Å; L1692-L1696 WeakPolarHBondContact O-CB 3.46Å; L1692-L1696 PolarHBondContact O-N 3.17Å |
| 1693 | Q | 57.5 | Low | 59.9 | Low | 128 Ų | 128 | 95.9 Ų | 95.9 | 60% | 0.598 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -80.9 | -36.6 | 163 | -84.8 | 166.4 | 28.2 | 0 | 0 | 110.5 | L1689 M1690 Q1691 A1697 | L1689-Q1693 VanDerWaalsContact O-CB 3.27Å; L1689-Q1693 WeakPolarHBondContact O-CB 3.4Å; L1689-Q1693 WeakPolarHBondContact O-CG 3.32Å; L1689-Q1693 PolarHBondContact O-N 3.3Å; M1690-Q1693 WeakPolarHBondContact O-CA 3.22Å; M1690-Q1693 WeakPolarHBondContact O-CB 3.29Å; M1690-Q1693 PolarHBondContact O-N 3.48Å; Q1691-Q1693 VanDerWaalsContact C-N 3.3Å; Q1691-Q1693 PolarHBondContact O-N 3.17Å; Q1693-A1697 PolarHBondContact O-N 3.05Å |
| 1694 | E | 61.1 | Low | 59.1 | Low | 136 Ų | 136 | 98 Ų | 98 | 64% | 0.636 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -71.5 | -42.6 | 168.9 | -62.3 | -161.6 | 128.5 | 0 | 0 | 112.1 | M1690 Q1691 A1697 A1698 | M1690-E1694 PolarHBondContact O-N 2.9Å; Q1691-E1694 CarbonylContact O-C 3.53Å; Q1691-E1694 PolarHBondContact O-N 2.91Å; E1694-A1697 CarbonylContact O-C 3.54Å; E1694-A1697 WeakPolarHBondContact O-CA 3.44Å; E1694-A1697 WeakPolarHBondContact O-CB 3.5Å; E1694-A1697 PolarHBondContact O-N 2.98Å; E1694-A1697 VanDerWaalsContact O-N 3.12Å; E1694-A1698 PolarHBondContact O-N 3.3Å |
| 1695 | D | 55.6 | Low | 58.5 | Low | 80 Ų | 80 | 103.9 Ų | 103.9 | 43% | 0.428 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -81.4 | -11.5 | 179.1 | -75.4 | -31.5 | 0 | 0 | 0 | 112.9 | Q1691 L1692 A1698 A1699 | Q1691-D1695 WeakPolarHBondContact O-CA 3.32Å; Q1691-D1695 VanDerWaalsContact O-CB 3.23Å; Q1691-D1695 WeakPolarHBondContact O-CB 3.39Å; Q1691-D1695 PolarHBondContact O-N 3.31Å; L1692-D1695 HydrophobicContact CD2-CB 4.32Å; D1695-A1698 HydrophobicContact CB-CB 4.48Å; D1695-A1698 CarbonylContact O-C 3.55Å; D1695-A1698 PolarHBondContact O-N 3.38Å; D1695-A1699 WeakPolarHBondContact O-CA 3.43Å; D1695-A1699 WeakPolarHBondContact O-CB 3.25Å; D1695-A1699 PolarHBondContact O-N 2.84Å |
| 1696 | L | 50.4 | Low | 57.8 | Low | 100 Ų | 100 | 101.8 Ų | 101.8 | 52% | 0.524 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -72.6 | -37.1 | 160.2 | 179.5 | 65.3 | 0 | 0 | 0 | 110.3 | L1692 A1698 A1699 E1700 | L1692-L1696 WeakPolarHBondContact O-CA 3.36Å; L1692-L1696 WeakPolarHBondContact O-CB 3.46Å; L1692-L1696 PolarHBondContact O-N 3.17Å; L1696-A1698 PolarHBondContact O-N 2.75Å; L1696-A1699 HydrophobicContact CD1-CB 4.48Å; L1696-A1699 PolarHBondContact O-N 2.68Å; L1696-A1699 VanDerWaalsContact O-N 3.12Å; L1696-E1700 WeakPolarHBondContact O-CG 3.2Å; L1696-E1700 PolarHBondContact O-N 3.17Å |
| 1697 | A | 58.9 | Low | 57.2 | Low | 57 Ų | 57 | 98.8 Ų | 98.8 | 47% | 0.471 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -72.5 | -13.6 | 169.8 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1693 E1694 R1701 | Q1693-A1697 PolarHBondContact O-N 3.05Å; E1694-A1697 CarbonylContact O-C 3.54Å; E1694-A1697 WeakPolarHBondContact O-CA 3.44Å; E1694-A1697 WeakPolarHBondContact O-CB 3.5Å; E1694-A1697 PolarHBondContact O-N 2.98Å; E1694-A1697 VanDerWaalsContact O-N 3.12Å; A1697-R1701 PolarHBondContact O-NH2 2.75Å; A1697-R1701 VanDerWaalsContact O-NH2 3.11Å |
| 1698 | A | 57.9 | Low | 56.7 | Low | 38 Ų | 38 | 102.5 Ų | 102.5 | 31% | 0.314 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -83.9 | -41.8 | 159.9 | 0 | 0 | 0 | 0 | 0 | 112 | E1694 D1695 L1696 E1700 R1701 A1702 | E1694-A1698 PolarHBondContact O-N 3.3Å; D1695-A1698 HydrophobicContact CB-CB 4.48Å; D1695-A1698 CarbonylContact O-C 3.55Å; D1695-A1698 PolarHBondContact O-N 3.38Å; L1696-A1698 PolarHBondContact O-N 2.75Å; A1698-E1700 VanDerWaalsContact C-N 3.28Å; A1698-E1700 PolarHBondContact O-N 2.93Å; A1698-R1701 WeakPolarHBondContact O-CA 3.41Å; A1698-R1701 WeakPolarHBondContact O-CB 3.4Å; A1698-R1701 PolarHBondContact O-N 3.2Å; A1698-A1702 PolarHBondContact O-N 3.1Å |
| 1699 | A | 54 | Low | 56.2 | Low | 30 Ų | 30 | 107.1 Ų | 107.1 | 25% | 0.248 | 55% | 0.545 | C | S | . | . | H | α-helix | trans | -64.3 | -28.9 | -176.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D1695 L1696 R1701 A1702 R1703 | D1695-A1699 WeakPolarHBondContact O-CA 3.43Å; D1695-A1699 WeakPolarHBondContact O-CB 3.25Å; D1695-A1699 PolarHBondContact O-N 2.84Å; L1696-A1699 HydrophobicContact CD1-CB 4.48Å; L1696-A1699 PolarHBondContact O-N 2.68Å; L1696-A1699 VanDerWaalsContact O-N 3.12Å; A1699-R1701 PolarHBondContact O-N 3.15Å; A1699-R1701 VanDerWaalsContact O-N 3.11Å; A1699-A1702 PolarHBondContact O-N 2.82Å; A1699-A1702 VanDerWaalsContact O-N 3.1Å; A1699-R1703 WeakPolarHBondContact O-CB 3.28Å; A1699-R1703 VanDerWaalsContact O-CG 3.26Å; A1699-R1703 WeakPolarHBondContact O-CG 3.38Å; A1699-R1703 PolarHBondContact O-N 3.4Å |
| 1700 | E | 50.7 | Low | 55.6 | Low | 119 Ų | 119 | 110.2 Ų | 110.2 | 56% | 0.556 | 56% | 0.555 | S | S | * | * | H | α-helix | trans | -59.9 | -19.2 | 170.5 | -66 | -144.4 | 121.5 | 0 | 0 | 114.1 | L1696 A1698 R1703 | L1696-E1700 WeakPolarHBondContact O-CG 3.2Å; L1696-E1700 PolarHBondContact O-N 3.17Å; A1698-E1700 VanDerWaalsContact C-N 3.28Å; A1698-E1700 PolarHBondContact O-N 2.93Å; E1700-R1703 IonicContact OE1-NH1 2.63Å |
| 1701 | R | 56.8 | Low | 55 | Low | 196 Ų | 196 | 110.4 Ų | 110.4 | 74% | 0.74 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -95 | -29.4 | 171.3 | -80.7 | 171.2 | -79 | 166.6 | -1.8 | 113.6 | A1697 A1698 A1699 | A1697-R1701 PolarHBondContact O-NH2 2.75Å; A1697-R1701 VanDerWaalsContact O-NH2 3.11Å; A1698-R1701 WeakPolarHBondContact O-CA 3.41Å; A1698-R1701 WeakPolarHBondContact O-CB 3.4Å; A1698-R1701 PolarHBondContact O-N 3.2Å; A1699-R1701 PolarHBondContact O-N 3.15Å; A1699-R1701 VanDerWaalsContact O-N 3.11Å |
| 1702 | A | 54.3 | Low | 54.6 | Low | 63 Ų | 63 | 113.3 Ų | 113.3 | 52% | 0.521 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -79.9 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1698 A1699 K1704 Q1705 | A1698-A1702 PolarHBondContact O-N 3.1Å; A1699-A1702 PolarHBondContact O-N 2.82Å; A1699-A1702 VanDerWaalsContact O-N 3.1Å; A1702-K1704 PolarHBondContact O-N 2.66Å; A1702-Q1705 PolarHBondContact O-N 3.35Å |
| 1703 | R | 55.8 | Low | 54.4 | Low | 121 Ų | 121 | 114.5 Ų | 114.5 | 46% | 0.457 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -41.8 | -57.7 | 177.3 | -90.1 | 169.9 | 58.2 | -159.5 | -0.7 | 112.1 | A1699 E1700 Q1705 A1706 D1707 | A1699-R1703 WeakPolarHBondContact O-CB 3.28Å; A1699-R1703 VanDerWaalsContact O-CG 3.26Å; A1699-R1703 WeakPolarHBondContact O-CG 3.38Å; A1699-R1703 PolarHBondContact O-N 3.4Å; E1700-R1703 IonicContact OE1-NH1 2.63Å; R1703-Q1705 PolarHBondContact O-N 3.47Å; R1703-A1706 PolarHBondContact O-N 2.95Å; R1703-D1707 VanDerWaalsContact C-OD2 3.26Å; R1703-D1707 WeakPolarHBondContact CB-OD2 3.1Å; R1703-D1707 WeakPolarHBondContact O-CB 3.4Å; R1703-D1707 PolarHBondContact O-N 2.94Å |
| 1704 | K | 54.1 | Low | 54.2 | Low | 161 Ų | 161 | 111.2 Ų | 111.2 | 70% | 0.7 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -57.9 | -11.7 | -175.8 | -68.7 | -174.1 | 176.5 | 179.1 | 0 | 116.2 | A1702 | A1702-K1704 PolarHBondContact O-N 2.66Å |
| 1705 | Q | 55.6 | Low | 53.9 | Low | 166 Ų | 166 | 112.4 Ų | 112.4 | 78% | 0.776 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -100.3 | -21.2 | 175.9 | -150.6 | 74.6 | 47.3 | 0 | 0 | 113 | A1702 R1703 | A1702-Q1705 PolarHBondContact O-N 3.35Å; R1703-Q1705 PolarHBondContact O-N 3.47Å |
| 1706 | A | 49.4 | Very low | 53.8 | Low | 63 Ų | 63 | 115.8 Ų | 115.8 | 52% | 0.521 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -113.4 | -20.5 | -177.2 | 0 | 0 | 0 | 0 | 0 | 114 | R1703 L1708 E1709 | R1703-A1706 PolarHBondContact O-N 2.95Å; A1706-L1708 PolarHBondContact O-N 2.62Å; A1706-E1709 PolarHBondContact O-N 3.17Å |
| 1707 | D | 55.2 | Low | 53.7 | Low | 69 Ų | 69 | 118.3 Ų | 118.3 | 37% | 0.369 | 60% | 0.601 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -56.9 | -13.8 | 173 | -67.3 | -12 | 0 | 0 | 0 | 112.3 | R1703 | R1703-D1707 VanDerWaalsContact C-OD2 3.26Å; R1703-D1707 WeakPolarHBondContact CB-OD2 3.1Å; R1703-D1707 WeakPolarHBondContact O-CB 3.4Å; R1703-D1707 PolarHBondContact O-N 2.94Å |
| 1708 | L | 56.2 | Low | 53.6 | Low | 135 Ų | 135 | 118.6 Ų | 118.6 | 71% | 0.707 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -98 | -18.7 | -175.4 | -86.6 | 164.5 | 0 | 0 | 0 | 116.2 | A1706 | A1706-L1708 PolarHBondContact O-N 2.62Š|
| 1709 | E | 49.3 | Very low | 53.5 | Low | 159 Ų | 159 | 121.5 Ų | 121.5 | 74% | 0.743 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.1 | -15 | -176.2 | -68.4 | -174.2 | 167.6 | 0 | 0 | 113.5 | A1706 | A1706-E1709 PolarHBondContact O-N 3.17Š|
| 1710 | K | 48.3 | Very low | 53.1 | Low | 166 Ų | 166 | 124.8 Ų | 124.8 | 72% | 0.722 | 64% | 0.642 | S | S | * | * | S | Bend | trans | -100.9 | -24.3 | -175.8 | -165.4 | 175.1 | 176.7 | -174.7 | 0 | 114.3 | L1713 A1714 | K1710-L1713 PolarHBondContact O-N 3.02Å; K1710-A1714 PolarHBondContact O-N 3.44Å |
| 1711 | E | 53.8 | Low | 53.3 | Low | 141 Ų | 141 | 123.9 Ų | 123.9 | 66% | 0.659 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -66.4 | -38.1 | 175.7 | -66.2 | -165.2 | 144.3 | 0 | 0 | 111.4 | L1713 A1714 E1715 | E1711-L1713 VanDerWaalsContact C-N 3.26Å; E1711-L1713 PolarHBondContact O-N 2.94Å; E1711-A1714 PolarHBondContact O-N 3.14Å; E1711-E1715 PolarHBondContact O-N 2.79Å |
| 1712 | E | 55.2 | Low | 53.1 | Low | 153 Ų | 153 | 120.4 Ų | 120.4 | 72% | 0.715 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -58 | -34.5 | 176.3 | -63.4 | -166.8 | 142.3 | 0 | 0 | 113.1 | ||
| 1713 | L | 51.7 | Low | 53.3 | Low | 124 Ų | 124 | 119.1 Ų | 119.1 | 65% | 0.649 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -87.4 | -9.7 | 176.4 | -75.1 | 168.5 | 0 | 0 | 0 | 114 | K1710 E1711 | K1710-L1713 PolarHBondContact O-N 3.02Å; E1711-L1713 VanDerWaalsContact C-N 3.26Å; E1711-L1713 PolarHBondContact O-N 2.94Å |
| 1714 | A | 54.1 | Low | 53.2 | Low | 59 Ų | 59 | 121.5 Ų | 121.5 | 49% | 0.488 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -88.8 | -36.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K1710 E1711 A1718 | K1710-A1714 PolarHBondContact O-N 3.44Å; E1711-A1714 PolarHBondContact O-N 3.14Å; A1714-A1718 PolarHBondContact O-N 2.92Å |
| 1715 | E | 54.8 | Low | 53.4 | Low | 161 Ų | 161 | 119 Ų | 119 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.2 | -38.5 | 179.8 | -67.8 | -155.1 | 129.4 | 0 | 0 | 113 | E1711 L1717 A1718 | E1711-E1715 PolarHBondContact O-N 2.79Å; E1715-L1717 VanDerWaalsContact C-N 3.31Å; E1715-L1717 PolarHBondContact O-N 2.75Å; E1715-A1718 PolarHBondContact O-N 3.43Å |
| 1716 | E | 54.1 | Low | 53.5 | Low | 151 Ų | 151 | 114.5 Ų | 114.5 | 71% | 0.706 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -60.8 | -39.2 | -179.9 | -68 | -158.7 | 133.4 | 0 | 0 | 112.5 | S1719 | E1716-S1719 PolarHBondContact O-OG 3.39Å |
| 1717 | L | 48 | Very low | 53.8 | Low | 153 Ų | 153 | 116.3 Ų | 116.3 | 80% | 0.801 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -79.1 | -19.3 | -177.5 | -103.8 | 161.9 | 0 | 0 | 0 | 114.5 | E1715 S1719 | E1715-L1717 VanDerWaalsContact C-N 3.31Å; E1715-L1717 PolarHBondContact O-N 2.75Å; L1717-S1719 VanDerWaalsContact C-N 3.35Å |
| 1718 | A | 55.8 | Low | 54.2 | Low | 62 Ų | 62 | 118 Ų | 118 | 51% | 0.512 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -76.7 | -20.4 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | A1714 E1715 S1720 | A1714-A1718 PolarHBondContact O-N 2.92Å; E1715-A1718 PolarHBondContact O-N 3.43Å; A1718-S1720 PolarHBondContact O-N 2.84Å |
| 1719 | S | 55.4 | Low | 54.4 | Low | 100 Ų | 100 | 117 Ų | 117 | 70% | 0.699 | 64% | 0.635 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.5 | -22.4 | -164.6 | 64.9 | 0 | 0 | 0 | 0 | 116.2 | E1716 L1717 L1721 | E1716-S1719 PolarHBondContact O-OG 3.39Å; L1717-S1719 VanDerWaalsContact C-N 3.35Å; S1719-L1721 PolarHBondContact O-N 2.85Å |
| 1720 | S | 45.7 | Very low | 54.9 | Low | 98 Ų | 98 | 114.7 Ų | 114.7 | 69% | 0.685 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 5.8 | -169.8 | -168 | 0 | 0 | 0 | 0 | 115.4 | A1718 S1722 G1723 | A1718-S1720 PolarHBondContact O-N 2.84Å; S1720-S1722 VanDerWaalsContact C-N 3.28Å; S1720-S1722 PolarHBondContact O-N 2.84Å; S1720-S1722 VanDerWaalsContact O-N 3.15Å; S1720-G1723 PolarHBondContact O-N 2.88Å |
| 1721 | L | 55.5 | Low | 55.7 | Low | 101 Ų | 101 | 112.2 Ų | 112.2 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | G | 310 helix | trans | -67.9 | -14.7 | -166.6 | -91.9 | 157.4 | 0 | 0 | 0 | 116.1 | S1719 G1723 R1724 | S1719-L1721 PolarHBondContact O-N 2.85Å; L1721-G1723 PolarHBondContact O-N 3.4Å; L1721-R1724 HydrophobicContact CD2-CB 4.23Å; L1721-R1724 PolarHBondContact O-N 3.28Å |
| 1722 | S | 52.6 | Low | 56.4 | Low | 123 Ų | 123 | 113.4 Ų | 113.4 | 86% | 0.86 | 61% | 0.612 | S | S | * | * | G | 310 helix | trans | -69.8 | -25.8 | 179.3 | -172.4 | 0 | 0 | 0 | 0 | 114.6 | S1720 R1724 | S1720-S1722 VanDerWaalsContact C-N 3.28Å; S1720-S1722 PolarHBondContact O-N 2.84Å; S1720-S1722 VanDerWaalsContact O-N 3.15Å; S1722-R1724 VanDerWaalsContact C-N 3.34Å |
| 1723 | G | 58.5 | Low | 57 | Low | 36 Ų | 36 | 115.7 Ų | 115.7 | 37% | 0.371 | 61% | 0.614 | S | S | . | * | G | 310 helix | trans | -79 | -22.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | S1720 L1721 N1725 A1726 L1727 | S1720-G1723 PolarHBondContact O-N 2.88Å; L1721-G1723 PolarHBondContact O-N 3.4Å; G1723-N1725 PolarHBondContact O-N 3.03Å; G1723-A1726 PolarHBondContact O-N 2.69Å; G1723-L1727 WeakPolarHBondContact O-CB 3.37Å; G1723-L1727 PolarHBondContact O-N 2.7Å |
| 1724 | R | 54.5 | Low | 57.6 | Low | 170 Ų | 170 | 113.8 Ų | 113.8 | 64% | 0.642 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.8 | -27.4 | -160.2 | -160.5 | 168.7 | -176.5 | 159 | -1.7 | 114.1 | L1721 S1722 L1727 Q1728 | L1721-R1724 HydrophobicContact CD2-CB 4.23Å; L1721-R1724 PolarHBondContact O-N 3.28Å; S1722-R1724 VanDerWaalsContact C-N 3.34Å; R1724-L1727 CarbonylContact O-C 3.38Å; R1724-Q1728 WeakPolarHBondContact O-CB 3.48Å; R1724-Q1728 PolarHBondContact O-N 3.07Å |
| 1725 | N | 57.7 | Low | 58.4 | Low | 110 Ų | 110 | 115 Ų | 115 | 59% | 0.588 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -36.4 | 178.3 | -71.5 | 18.5 | 0 | 0 | 0 | 112.8 | G1723 L1727 Q1728 D1729 | G1723-N1725 PolarHBondContact O-N 3.03Å; N1725-L1727 VanDerWaalsContact C-N 3.29Å; N1725-Q1728 WeakPolarHBondContact O-CA 3.19Å; N1725-Q1728 PolarHBondContact O-N 2.81Å; N1725-D1729 PolarHBondContact O-N 3.22Å |
| 1726 | A | 57.5 | Low | 59.2 | Low | 71 Ų | 71 | 110.3 Ų | 110.3 | 59% | 0.587 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.3 | -45.4 | 167.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | G1723 Q1728 E1730 | G1723-A1726 PolarHBondContact O-N 2.69Å; A1726-Q1728 PolarHBondContact O-N 3.2Å; A1726-Q1728 VanDerWaalsContact O-N 3.13Å; A1726-E1730 WeakPolarHBondContact O-CA 3.34Å; A1726-E1730 WeakPolarHBondContact O-CB 3.3Å; A1726-E1730 PolarHBondContact O-N 3.44Å |
| 1727 | L | 56.2 | Low | 59.9 | Low | 100 Ų | 100 | 110.9 Ų | 110.9 | 52% | 0.524 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -73.8 | 19.4 | 166 | -68.5 | 167.1 | 0 | 0 | 0 | 114.2 | G1723 R1724 N1725 K1731 | G1723-L1727 WeakPolarHBondContact O-CB 3.37Å; G1723-L1727 PolarHBondContact O-N 2.7Å; R1724-L1727 CarbonylContact O-C 3.38Å; N1725-L1727 VanDerWaalsContact C-N 3.29Å; L1727-K1731 WeakPolarHBondContact O-CB 3.22Å; L1727-K1731 PolarHBondContact O-N 2.96Å |
| 1728 | Q | 62.4 | Low | 61 | Low | 104 Ų | 104 | 107.4 Ų | 107.4 | 49% | 0.486 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -120.7 | -32.1 | 170.3 | -166.8 | 165.5 | 8.8 | 0 | 0 | 111.7 | R1724 N1725 A1726 R1732 | R1724-Q1728 WeakPolarHBondContact O-CB 3.48Å; R1724-Q1728 PolarHBondContact O-N 3.07Å; N1725-Q1728 WeakPolarHBondContact O-CA 3.19Å; N1725-Q1728 PolarHBondContact O-N 2.81Å; A1726-Q1728 PolarHBondContact O-N 3.2Å; A1726-Q1728 VanDerWaalsContact O-N 3.13Å; Q1728-R1732 WeakPolarHBondContact O-CB 3.44Å; Q1728-R1732 VanDerWaalsContact O-CG 3.32Å; Q1728-R1732 WeakPolarHBondContact O-CG 3.3Å; Q1728-R1732 PolarHBondContact O-N 3.38Å |
| 1729 | D | 61.3 | Low | 61.9 | Low | 116 Ų | 116 | 106.9 Ų | 106.9 | 62% | 0.62 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -78.2 | -35.8 | 160.7 | -75.1 | -30.8 | 0 | 0 | 0 | 111.1 | N1725 R1732 R1733 | N1725-D1729 PolarHBondContact O-N 3.22Å; D1729-R1732 PolarHBondContact O-N 2.97Å; D1729-R1733 WeakPolarHBondContact O-CB 3.44Å; D1729-R1733 PolarHBondContact O-N 3.22Å |
| 1730 | E | 60.9 | Low | 62.6 | Low | 110 Ų | 110 | 107 Ų | 107 | 51% | 0.514 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -71.8 | -32.7 | 167.3 | -168.3 | 168.5 | -127 | 0 | 0 | 111.2 | A1726 R1733 L1734 | A1726-E1730 WeakPolarHBondContact O-CA 3.34Å; A1726-E1730 WeakPolarHBondContact O-CB 3.3Å; A1726-E1730 PolarHBondContact O-N 3.44Å; E1730-R1733 PolarHBondContact O-N 2.86Å; E1730-L1734 HydrophobicContact CG-CD1 3.95Å; E1730-L1734 HydrophobicContact CG-CG 4.23Å; E1730-L1734 WeakPolarHBondContact O-CA 3.39Å; E1730-L1734 WeakPolarHBondContact O-CB 3.28Å; E1730-L1734 WeakPolarHBondContact O-CG 3.46Å; E1730-L1734 PolarHBondContact O-N 3.33Å |
| 1731 | K | 64.6 | Low | 63.5 | Low | 113 Ų | 113 | 106.5 Ų | 106.5 | 49% | 0.491 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -71.6 | -30.4 | 167.2 | -177.7 | 173.2 | -177.2 | -76 | 0 | 112.6 | L1727 L1734 E1735 | L1727-K1731 WeakPolarHBondContact O-CB 3.22Å; L1727-K1731 PolarHBondContact O-N 2.96Å; K1731-L1734 CarbonylContact O-C 3.42Å; K1731-E1735 HydrophobicContact CG-CG 4.02Å; K1731-E1735 IonicContact NZ-OE1 3.36Å; K1731-E1735 PolarHBondContact NZ-OE1 3.36Å; K1731-E1735 IonicContact NZ-OE2 3.71Å; K1731-E1735 WeakPolarHBondContact O-CA 3.38Å; K1731-E1735 WeakPolarHBondContact O-CB 3.19Å; K1731-E1735 WeakPolarHBondContact O-CG 3.14Å; K1731-E1735 PolarHBondContact O-N 3.32Å |
| 1732 | R | 68.6 | Low | 64.3 | Low | 166 Ų | 166 | 106.7 Ų | 106.7 | 63% | 0.626 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -73.1 | -32 | 170.9 | -88.1 | 177.4 | 161.1 | -179.7 | -7.1 | 113.2 | Q1728 D1729 E1735 A1736 | Q1728-R1732 WeakPolarHBondContact O-CB 3.44Å; Q1728-R1732 VanDerWaalsContact O-CG 3.32Å; Q1728-R1732 WeakPolarHBondContact O-CG 3.3Å; Q1728-R1732 PolarHBondContact O-N 3.38Å; D1729-R1732 PolarHBondContact O-N 2.97Å; R1732-E1735 PolarHBondContact O-N 3.29Å; R1732-A1736 VanDerWaalsContact O-CB 3.26Å; R1732-A1736 WeakPolarHBondContact O-CB 3.39Å; R1732-A1736 PolarHBondContact O-N 2.68Å |
| 1733 | R | 68 | Low | 65.2 | Low | 201 Ų | 201 | 107.1 Ų | 107.1 | 76% | 0.758 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -80.6 | -30.2 | 175.3 | -159.2 | 176.4 | -157.8 | 168.3 | 6 | 111.5 | D1729 E1730 R1737 | D1729-R1733 WeakPolarHBondContact O-CB 3.44Å; D1729-R1733 PolarHBondContact O-N 3.22Å; E1730-R1733 PolarHBondContact O-N 2.86Å; R1733-R1737 WeakPolarHBondContact O-CB 3.23Å; R1733-R1737 PolarHBondContact O-N 3.34Å |
| 1734 | L | 64 | Low | 65.6 | Low | 84 Ų | 84 | 110.4 Ų | 110.4 | 44% | 0.44 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -81.9 | -9.2 | 163.7 | -67.5 | 171.7 | 0 | 0 | 0 | 112.4 | E1730 K1731 I1738 | E1730-L1734 HydrophobicContact CG-CD1 3.95Å; E1730-L1734 HydrophobicContact CG-CG 4.23Å; E1730-L1734 WeakPolarHBondContact O-CA 3.39Å; E1730-L1734 WeakPolarHBondContact O-CB 3.28Å; E1730-L1734 WeakPolarHBondContact O-CG 3.46Å; E1730-L1734 PolarHBondContact O-N 3.33Å; K1731-L1734 CarbonylContact O-C 3.42Å; L1734-I1738 HydrophobicContact CB-CD1 4.48Å; L1734-I1738 VanDerWaalsContact O-CA 3.27Å; L1734-I1738 WeakPolarHBondContact O-CA 3.41Å; L1734-I1738 WeakPolarHBondContact O-CB 3.27Å; L1734-I1738 VanDerWaalsContact O-CD1 3.23Å; L1734-I1738 WeakPolarHBondContact O-CD1 3.24Å; L1734-I1738 WeakPolarHBondContact O-CG1 3.29Å; L1734-I1738 PolarHBondContact O-N 3.08Å |
| 1735 | E | 70.1 | Confident | 66.1 | Low | 84 Ų | 84 | 105.5 Ų | 105.5 | 39% | 0.393 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -95.6 | -31 | 170.4 | -85 | 167.5 | 147.6 | 0 | 0 | 109.8 | K1731 R1732 R1737 A1739 | K1731-E1735 HydrophobicContact CG-CG 4.02Å; K1731-E1735 IonicContact NZ-OE1 3.36Å; K1731-E1735 PolarHBondContact NZ-OE1 3.36Å; K1731-E1735 IonicContact NZ-OE2 3.71Å; K1731-E1735 WeakPolarHBondContact O-CA 3.38Å; K1731-E1735 WeakPolarHBondContact O-CB 3.19Å; K1731-E1735 WeakPolarHBondContact O-CG 3.14Å; K1731-E1735 PolarHBondContact O-N 3.32Å; R1732-E1735 PolarHBondContact O-N 3.29Å; E1735-R1737 VanDerWaalsContact C-N 3.31Å; E1735-A1739 WeakPolarHBondContact O-CA 3.33Å; E1735-A1739 WeakPolarHBondContact O-CB 3.36Å; E1735-A1739 PolarHBondContact O-N 3.08Å |
| 1736 | A | 71.2 | Confident | 66.7 | Low | 64 Ų | 64 | 107.3 Ų | 107.3 | 53% | 0.529 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.4 | -31 | 164 | 0 | 0 | 0 | 0 | 0 | 110.7 | R1732 Q1740 | R1732-A1736 VanDerWaalsContact O-CB 3.26Å; R1732-A1736 WeakPolarHBondContact O-CB 3.39Å; R1732-A1736 PolarHBondContact O-N 2.68Å; A1736-Q1740 WeakPolarHBondContact O-CB 3.29Å; A1736-Q1740 PolarHBondContact O-N 2.79Å |
| 1737 | R | 69.7 | Low | 67.2 | Low | 162 Ų | 162 | 110 Ų | 110 | 61% | 0.611 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -95.8 | -10.1 | 174.7 | -159.3 | 177.3 | -166.3 | 172.7 | 6.4 | 114.2 | R1733 E1735 L1741 | R1733-R1737 WeakPolarHBondContact O-CB 3.23Å; R1733-R1737 PolarHBondContact O-N 3.34Å; E1735-R1737 VanDerWaalsContact C-N 3.31Å; R1737-L1741 HydrophobicContact CG-CD1 4.12Å; R1737-L1741 HydrophobicContact CG-CG 4.32Å; R1737-L1741 WeakPolarHBondContact O-CB 3.31Å; R1737-L1741 VanDerWaalsContact O-CD1 3.3Å; R1737-L1741 WeakPolarHBondContact O-CD1 3.49Å; R1737-L1741 WeakPolarHBondContact O-CG 3.35Å; R1737-L1741 PolarHBondContact O-N 3.31Å |
| 1738 | I | 70.8 | Confident | 67.5 | Low | 81 Ų | 81 | 109.8 Ų | 109.8 | 42% | 0.415 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -85.8 | -44.7 | 160.2 | -76.2 | 163.8 | 0 | 0 | 0 | 107.2 | L1734 Q1740 L1741 E1742 | L1734-I1738 HydrophobicContact CB-CD1 4.48Å; L1734-I1738 VanDerWaalsContact O-CA 3.27Å; L1734-I1738 WeakPolarHBondContact O-CA 3.41Å; L1734-I1738 WeakPolarHBondContact O-CB 3.27Å; L1734-I1738 VanDerWaalsContact O-CD1 3.23Å; L1734-I1738 WeakPolarHBondContact O-CD1 3.24Å; L1734-I1738 WeakPolarHBondContact O-CG1 3.29Å; L1734-I1738 PolarHBondContact O-N 3.08Å; I1738-Q1740 VanDerWaalsContact C-N 3.26Å; I1738-Q1740 PolarHBondContact O-N 3.14Å; I1738-L1741 CarbonylContact O-C 3.43Å; I1738-L1741 WeakPolarHBondContact O-CA 3.38Å; I1738-L1741 PolarHBondContact O-N 3.02Å; I1738-E1742 HydrophobicContact CG2-CG 3.72Å; I1738-E1742 VanDerWaalsContact CG2-OE1 3.22Å; I1738-E1742 WeakPolarHBondContact CG2-OE1 3.05Å; I1738-E1742 WeakPolarHBondContact CG2-OE2 3.37Å; I1738-E1742 WeakPolarHBondContact O-CA 3.3Å; I1738-E1742 WeakPolarHBondContact O-CB 3.45Å; I1738-E1742 WeakPolarHBondContact O-CG 3.23Å; I1738-E1742 PolarHBondContact O-N 2.69Å |
| 1739 | A | 74.8 | Confident | 67.8 | Low | 50 Ų | 50 | 109.7 Ų | 109.7 | 41% | 0.413 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -58.1 | -35.4 | 168.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | E1735 E1742 E1743 | E1735-A1739 WeakPolarHBondContact O-CA 3.33Å; E1735-A1739 WeakPolarHBondContact O-CB 3.36Å; E1735-A1739 PolarHBondContact O-N 3.08Å; A1739-E1742 CarbonylContact O-C 3.56Å; A1739-E1742 PolarHBondContact O-N 3.06Å; A1739-E1743 WeakPolarHBondContact O-CA 2.99Å; A1739-E1743 WeakPolarHBondContact O-CB 3.34Å; A1739-E1743 PolarHBondContact O-N 3.27Å |
| 1740 | Q | 69.1 | Low | 68.1 | Low | 104 Ų | 104 | 105.5 Ų | 105.5 | 49% | 0.486 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -83.1 | -17.5 | 171.6 | -169.6 | 169.7 | 44.1 | 0 | 0 | 113.2 | A1736 I1738 E1744 | A1736-Q1740 WeakPolarHBondContact O-CB 3.29Å; A1736-Q1740 PolarHBondContact O-N 2.79Å; I1738-Q1740 VanDerWaalsContact C-N 3.26Å; I1738-Q1740 PolarHBondContact O-N 3.14Å; Q1740-E1744 HydrophobicContact CG-CG 4.5Å; Q1740-E1744 WeakPolarHBondContact O-CA 3.06Å; Q1740-E1744 WeakPolarHBondContact O-CB 3.41Å; Q1740-E1744 WeakPolarHBondContact O-CG 3.39Å; Q1740-E1744 PolarHBondContact O-N 3.46Å |
| 1741 | L | 66.3 | Low | 68.3 | Low | 86 Ų | 86 | 103.4 Ų | 103.4 | 45% | 0.45 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -100.4 | 21.5 | 165.1 | -66.9 | 168.7 | 0 | 0 | 0 | 112.1 | R1737 I1738 E1744 L1745 | R1737-L1741 HydrophobicContact CG-CD1 4.12Å; R1737-L1741 HydrophobicContact CG-CG 4.32Å; R1737-L1741 WeakPolarHBondContact O-CB 3.31Å; R1737-L1741 VanDerWaalsContact O-CD1 3.3Å; R1737-L1741 WeakPolarHBondContact O-CD1 3.49Å; R1737-L1741 WeakPolarHBondContact O-CG 3.35Å; R1737-L1741 PolarHBondContact O-N 3.31Å; I1738-L1741 CarbonylContact O-C 3.43Å; I1738-L1741 WeakPolarHBondContact O-CA 3.38Å; I1738-L1741 PolarHBondContact O-N 3.02Å; L1741-E1744 HydrophobicContact CD2-CB 4.39Å; L1741-E1744 WeakPolarHBondContact CD2-OE2 3.15Å; L1741-L1745 WeakPolarHBondContact O-CB 3.1Å |
| 1742 | E | 72.2 | Confident | 68.3 | Low | 106 Ų | 106 | 103 Ų | 103 | 50% | 0.495 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -129.1 | -26.3 | 172.9 | -79.4 | 173.4 | 162.8 | 0 | 0 | 106.6 | I1738 A1739 L1745 E1746 | I1738-E1742 HydrophobicContact CG2-CG 3.72Å; I1738-E1742 VanDerWaalsContact CG2-OE1 3.22Å; I1738-E1742 WeakPolarHBondContact CG2-OE1 3.05Å; I1738-E1742 WeakPolarHBondContact CG2-OE2 3.37Å; I1738-E1742 WeakPolarHBondContact O-CA 3.3Å; I1738-E1742 WeakPolarHBondContact O-CB 3.45Å; I1738-E1742 WeakPolarHBondContact O-CG 3.23Å; I1738-E1742 PolarHBondContact O-N 2.69Å; A1739-E1742 CarbonylContact O-C 3.56Å; A1739-E1742 PolarHBondContact O-N 3.06Å; E1742-L1745 CarbonylContact O-C 3.59Å; E1742-L1745 VanDerWaalsContact O-C 3.31Å; E1742-E1746 WeakPolarHBondContact O-CA 3.43Å; E1742-E1746 WeakPolarHBondContact O-CB 3.31Å; E1742-E1746 WeakPolarHBondContact O-CG 3.2Å; E1742-E1746 PolarHBondContact O-N 3.1Å |
| 1743 | E | 71.5 | Confident | 68.2 | Low | 132 Ų | 132 | 102 Ų | 102 | 62% | 0.617 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -81 | -44.9 | 159.1 | -169.5 | 173.6 | -137.7 | 0 | 0 | 109.5 | A1739 L1745 E1746 E1747 | A1739-E1743 WeakPolarHBondContact O-CA 2.99Å; A1739-E1743 WeakPolarHBondContact O-CB 3.34Å; A1739-E1743 PolarHBondContact O-N 3.27Å; E1743-L1745 PolarHBondContact O-N 3.49Å; E1743-E1746 CarbonylContact O-C 3.58Å; E1743-E1746 PolarHBondContact O-N 3.25Å; E1743-E1747 WeakPolarHBondContact O-CA 3.3Å; E1743-E1747 WeakPolarHBondContact O-CB 3.3Å; E1743-E1747 PolarHBondContact O-N 3.16Å |
| 1744 | E | 66.4 | Low | 68.1 | Low | 104 Ų | 104 | 94.1 Ų | 94.1 | 49% | 0.486 | 48% | 0.478 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -12.6 | 165 | -68.9 | 174 | -169.7 | 0 | 0 | 112.2 | Q1740 L1741 E1747 E1748 | Q1740-E1744 HydrophobicContact CG-CG 4.5Å; Q1740-E1744 WeakPolarHBondContact O-CA 3.06Å; Q1740-E1744 WeakPolarHBondContact O-CB 3.41Å; Q1740-E1744 WeakPolarHBondContact O-CG 3.39Å; Q1740-E1744 PolarHBondContact O-N 3.46Å; L1741-E1744 HydrophobicContact CD2-CB 4.39Å; L1741-E1744 WeakPolarHBondContact CD2-OE2 3.15Å; E1744-E1747 CarbonylContact O-C 3.59Å; E1744-E1748 WeakPolarHBondContact O-CA 3.2Å; E1744-E1748 WeakPolarHBondContact O-CB 2.98Å; E1744-E1748 PolarHBondContact O-N 3.38Å |
| 1745 | L | 65.1 | Low | 68.2 | Low | 67 Ų | 67 | 94.2 Ų | 94.2 | 35% | 0.351 | 48% | 0.477 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -110.1 | 7.5 | 170.4 | -167.6 | 68.2 | 0 | 0 | 0 | 112.9 | L1741 E1742 E1743 E1748 Q1749 M1752 | L1741-L1745 WeakPolarHBondContact O-CB 3.1Å; E1742-L1745 CarbonylContact O-C 3.59Å; E1742-L1745 VanDerWaalsContact O-C 3.31Å; E1743-L1745 PolarHBondContact O-N 3.49Å; L1745-E1748 HydrophobicContact CD1-CB 4.47Å; L1745-Q1749 HydrophobicContact CD1-CG 4.1Å; L1745-Q1749 HydrophobicContact CG-CG 4.04Å; L1745-Q1749 WeakPolarHBondContact O-CA 3.28Å; L1745-Q1749 WeakPolarHBondContact O-CB 3.02Å; L1745-Q1749 WeakPolarHBondContact O-CG 2.88Å; L1745-Q1749 PolarHBondContact O-N 3.41Å; L1745-M1752 HydrophobicContact CD1-CE 4.25Å |
| 1746 | E | 70.9 | Confident | 68 | Low | 149 Ų | 149 | 93.3 Ų | 93.3 | 70% | 0.696 | 48% | 0.48 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -109.4 | -6.1 | 156.4 | -77.1 | 179.6 | 176.2 | 0 | 0 | 109.6 | E1742 E1743 G1750 | E1742-E1746 WeakPolarHBondContact O-CA 3.43Å; E1742-E1746 WeakPolarHBondContact O-CB 3.31Å; E1742-E1746 WeakPolarHBondContact O-CG 3.2Å; E1742-E1746 PolarHBondContact O-N 3.1Å; E1743-E1746 CarbonylContact O-C 3.58Å; E1743-E1746 PolarHBondContact O-N 3.25Å; E1746-G1750 WeakPolarHBondContact O-CA 3.37Å; E1746-G1750 PolarHBondContact O-N 3.03Å |
| 1747 | E | 67.4 | Low | 67.7 | Low | 127 Ų | 127 | 92.8 Ų | 92.8 | 59% | 0.593 | 47% | 0.468 | S | S | * | . | S | Bend | trans | -101.2 | -11.2 | 156.2 | -73.8 | -149 | 131.4 | 0 | 0 | 112.5 | E1743 E1744 N1751 | E1743-E1747 WeakPolarHBondContact O-CA 3.3Å; E1743-E1747 WeakPolarHBondContact O-CB 3.3Å; E1743-E1747 PolarHBondContact O-N 3.16Å; E1744-E1747 CarbonylContact O-C 3.59Å; E1747-N1751 VanDerWaalsContact C-N 3.28Å; E1747-N1751 VanDerWaalsContact O-CA 3.32Å; E1747-N1751 WeakPolarHBondContact O-CA 3.22Å; E1747-N1751 WeakPolarHBondContact O-CB 3.44Å; E1747-N1751 VanDerWaalsContact O-CG 3.23Å; E1747-N1751 PolarHBondContact O-N 3.07Å; E1747-N1751 PolarHBondContact O-ND2 3.25Å |
| 1748 | E | 62.2 | Low | 67.6 | Low | 95 Ų | 95 | 92.7 Ų | 92.7 | 44% | 0.444 | 47% | 0.468 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120.1 | 4.6 | 160.8 | -81.4 | -83 | -136.5 | 0 | 0 | 113.2 | E1744 L1745 N1751 M1752 | E1744-E1748 WeakPolarHBondContact O-CA 3.2Å; E1744-E1748 WeakPolarHBondContact O-CB 2.98Å; E1744-E1748 PolarHBondContact O-N 3.38Å; L1745-E1748 HydrophobicContact CD1-CB 4.47Å; E1748-N1751 HydrophobicContact CG-CB 4.43Å; E1748-N1751 WeakPolarHBondContact OE2-CB 3.32Å; E1748-M1752 VanDerWaalsContact C-N 3.34Å; E1748-M1752 WeakPolarHBondContact O-CA 3.08Å; E1748-M1752 WeakPolarHBondContact O-CB 3.22Å; E1748-M1752 VanDerWaalsContact O-CE 3.27Å; E1748-M1752 WeakPolarHBondContact O-CE 3.4Å; E1748-M1752 WeakPolarHBondContact O-CG 3.12Å; E1748-M1752 PolarHBondContact O-N 2.8Å; E1748-M1752 PolarHBondContact OE2-N 3.42Å |
| 1749 | Q | 68.1 | Low | 67.5 | Low | 102 Ų | 102 | 92.2 Ų | 92.2 | 48% | 0.477 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -96.9 | -10.5 | 135.1 | -60.9 | 168.1 | 29.9 | 0 | 0 | 109.6 | L1745 E1753 | L1745-Q1749 HydrophobicContact CD1-CG 4.1Å; L1745-Q1749 HydrophobicContact CG-CG 4.04Å; L1745-Q1749 WeakPolarHBondContact O-CA 3.28Å; L1745-Q1749 WeakPolarHBondContact O-CB 3.02Å; L1745-Q1749 WeakPolarHBondContact O-CG 2.88Å; L1745-Q1749 PolarHBondContact O-N 3.41Å; Q1749-E1753 VanDerWaalsContact O-CA 3.24Å; Q1749-E1753 WeakPolarHBondContact O-CA 2.83Å; Q1749-E1753 WeakPolarHBondContact O-CB 3.31Å; Q1749-E1753 WeakPolarHBondContact O-CG 3.29Å; Q1749-E1753 PolarHBondContact O-N 3.46Å |
| 1750 | G | 68.2 | Low | 67.3 | Low | 29 Ų | 29 | 97 Ų | 97 | 30% | 0.299 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -74.5 | -45.9 | 162.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | E1746 A1754 | E1746-G1750 WeakPolarHBondContact O-CA 3.37Å; E1746-G1750 PolarHBondContact O-N 3.03Å; G1750-A1754 WeakPolarHBondContact O-CA 3.22Å; G1750-A1754 WeakPolarHBondContact O-CB 3.45Å; G1750-A1754 PolarHBondContact O-N 3.15Å |
| 1751 | N | 66 | Low | 67.3 | Low | 66 Ų | 66 | 97.1 Ų | 97.1 | 35% | 0.353 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -92.3 | -9.9 | 172.8 | -67.6 | -69.4 | 0 | 0 | 0 | 114.1 | E1747 E1748 A1754 M1755 | E1747-N1751 VanDerWaalsContact C-N 3.28Å; E1747-N1751 VanDerWaalsContact O-CA 3.32Å; E1747-N1751 WeakPolarHBondContact O-CA 3.22Å; E1747-N1751 WeakPolarHBondContact O-CB 3.44Å; E1747-N1751 VanDerWaalsContact O-CG 3.23Å; E1747-N1751 PolarHBondContact O-N 3.07Å; E1747-N1751 PolarHBondContact O-ND2 3.25Å; E1748-N1751 HydrophobicContact CG-CB 4.43Å; E1748-N1751 WeakPolarHBondContact OE2-CB 3.32Å; N1751-A1754 CarbonylContact O-C 3.37Å; N1751-M1755 WeakPolarHBondContact O-CA 3.41Å; N1751-M1755 WeakPolarHBondContact O-CB 3.19Å; N1751-M1755 WeakPolarHBondContact O-CG 3.23Å; N1751-M1755 PolarHBondContact O-N 3.13Å |
| 1752 | M | 62.6 | Low | 67.3 | Low | 103 Ų | 103 | 95.3 Ų | 95.3 | 51% | 0.507 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -99.4 | 3.5 | 154.1 | -56.8 | -170.7 | -69.7 | 0 | 0 | 114.7 | L1745 E1748 S1756 | L1745-M1752 HydrophobicContact CD1-CE 4.25Å; E1748-M1752 VanDerWaalsContact C-N 3.34Å; E1748-M1752 WeakPolarHBondContact O-CA 3.08Å; E1748-M1752 WeakPolarHBondContact O-CB 3.22Å; E1748-M1752 VanDerWaalsContact O-CE 3.27Å; E1748-M1752 WeakPolarHBondContact O-CE 3.4Å; E1748-M1752 WeakPolarHBondContact O-CG 3.12Å; E1748-M1752 PolarHBondContact O-N 2.8Å; E1748-M1752 PolarHBondContact OE2-N 3.42Å; M1752-S1756 VanDerWaalsContact C-N 3.27Å; M1752-S1756 WeakPolarHBondContact O-CA 3.33Å; M1752-S1756 WeakPolarHBondContact O-CB 3.07Å; M1752-S1756 PolarHBondContact O-N 3.02Å |
| 1753 | E | 67.6 | Low | 67.3 | Low | 145 Ų | 145 | 93.3 Ų | 93.3 | 68% | 0.678 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -99.9 | -14.5 | 152.3 | -66.3 | -160.9 | 152.1 | 0 | 0 | 110.9 | Q1749 D1757 | Q1749-E1753 VanDerWaalsContact O-CA 3.24Å; Q1749-E1753 WeakPolarHBondContact O-CA 2.83Å; Q1749-E1753 WeakPolarHBondContact O-CB 3.31Å; Q1749-E1753 WeakPolarHBondContact O-CG 3.29Å; Q1749-E1753 PolarHBondContact O-N 3.46Å; E1753-D1757 VanDerWaalsContact O-CA 3.29Å; E1753-D1757 WeakPolarHBondContact O-CA 2.98Å; E1753-D1757 WeakPolarHBondContact O-CB 2.93Å; E1753-D1757 PolarHBondContact O-N 3.14Å |
| 1754 | A | 65.1 | Low | 67.1 | Low | 36 Ų | 36 | 91.4 Ų | 91.4 | 30% | 0.298 | 46% | 0.459 | S | S | . | . | S | Bend | trans | -95 | -12.3 | 162.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | G1750 N1751 R1758 | G1750-A1754 WeakPolarHBondContact O-CA 3.22Å; G1750-A1754 WeakPolarHBondContact O-CB 3.45Å; G1750-A1754 PolarHBondContact O-N 3.15Å; N1751-A1754 CarbonylContact O-C 3.37Å; A1754-R1758 WeakPolarHBondContact O-CA 3.07Å; A1754-R1758 WeakPolarHBondContact O-CB 2.97Å; A1754-R1758 WeakPolarHBondContact O-CD 3.29Å; A1754-R1758 WeakPolarHBondContact O-CG 3.04Å; A1754-R1758 PolarHBondContact O-N 2.99Å |
| 1755 | M | 66.5 | Low | 67.1 | Low | 87 Ų | 87 | 91 Ų | 91 | 43% | 0.429 | 46% | 0.457 | S | S | . | . | S | Bend | trans | -105.6 | -16.1 | 160.6 | -67.2 | -77.3 | -68.7 | 0 | 0 | 112.6 | N1751 R1758 V1759 | N1751-M1755 WeakPolarHBondContact O-CA 3.41Å; N1751-M1755 WeakPolarHBondContact O-CB 3.19Å; N1751-M1755 WeakPolarHBondContact O-CG 3.23Å; N1751-M1755 PolarHBondContact O-N 3.13Å; M1755-R1758 HydrophobicContact SD-CB 3.8Å; M1755-R1758 HydrophobicContact SD-CG 4.43Å; M1755-V1759 VanDerWaalsContact O-CA 3.29Å; M1755-V1759 WeakPolarHBondContact O-CA 3.44Å; M1755-V1759 WeakPolarHBondContact O-CB 3.49Å; M1755-V1759 WeakPolarHBondContact O-CG2 2.97Å; M1755-V1759 PolarHBondContact O-N 3.09Å |
| 1756 | S | 66.4 | Low | 67 | Low | 65 Ų | 65 | 90.3 Ų | 90.3 | 46% | 0.455 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -87.4 | -7.3 | 152 | -162.4 | 0 | 0 | 0 | 0 | 111.8 | M1752 R1760 | M1752-S1756 VanDerWaalsContact C-N 3.27Å; M1752-S1756 WeakPolarHBondContact O-CA 3.33Å; M1752-S1756 WeakPolarHBondContact O-CB 3.07Å; M1752-S1756 PolarHBondContact O-N 3.02Å; S1756-R1760 VanDerWaalsContact O-CA 3.29Å; S1756-R1760 WeakPolarHBondContact O-CA 3.34Å; S1756-R1760 WeakPolarHBondContact O-CB 3.38Å; S1756-R1760 PolarHBondContact O-N 2.99Å |
| 1757 | D | 65.2 | Low | 67.1 | Low | 53 Ų | 53 | 88.5 Ų | 88.5 | 28% | 0.283 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -94.2 | -22.1 | 154 | -101.5 | 7.9 | 0 | 0 | 0 | 112.3 | E1753 K1761 | E1753-D1757 VanDerWaalsContact O-CA 3.29Å; E1753-D1757 WeakPolarHBondContact O-CA 2.98Å; E1753-D1757 WeakPolarHBondContact O-CB 2.93Å; E1753-D1757 PolarHBondContact O-N 3.14Å; D1757-K1761 HydrophobicContact CB-CD 4.27Å; D1757-K1761 VanDerWaalsContact O-CA 3.25Å; D1757-K1761 WeakPolarHBondContact O-CA 3.32Å; D1757-K1761 WeakPolarHBondContact O-CB 3.01Å; D1757-K1761 WeakPolarHBondContact O-CD 3.3Å; D1757-K1761 WeakPolarHBondContact O-CG 3.45Å; D1757-K1761 PolarHBondContact O-N 3.41Å; D1757-K1761 WeakPolarHBondContact OD2-CE 3.41Å; D1757-K1761 IonicContact OD2-NZ 3.7Å; D1757-K1761 PolarHBondContact OD2-NZ 2.93Å |
| 1758 | R | 66.8 | Low | 67.1 | Low | 160 Ų | 160 | 86 Ų | 86 | 60% | 0.604 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -81.6 | -23.4 | 166 | -76.4 | 164.2 | -176.4 | 161.1 | 3.4 | 111.6 | A1754 M1755 A1762 | A1754-R1758 WeakPolarHBondContact O-CA 3.07Å; A1754-R1758 WeakPolarHBondContact O-CB 2.97Å; A1754-R1758 WeakPolarHBondContact O-CD 3.29Å; A1754-R1758 WeakPolarHBondContact O-CG 3.04Å; A1754-R1758 PolarHBondContact O-N 2.99Å; M1755-R1758 HydrophobicContact SD-CB 3.8Å; M1755-R1758 HydrophobicContact SD-CG 4.43Å; R1758-A1762 VanDerWaalsContact O-CA 3.32Å; R1758-A1762 WeakPolarHBondContact O-CA 3.47Å; R1758-A1762 WeakPolarHBondContact O-CB 3.47Å; R1758-A1762 PolarHBondContact O-N 2.74Å |
| 1759 | V | 69.8 | Low | 67.3 | Low | 71 Ų | 71 | 86.9 Ų | 86.9 | 43% | 0.43 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -87.3 | -40.4 | 165.9 | 177.8 | 0 | 0 | 0 | 0 | 110.1 | M1755 K1761 A1762 T1763 | M1755-V1759 VanDerWaalsContact O-CA 3.29Å; M1755-V1759 WeakPolarHBondContact O-CA 3.44Å; M1755-V1759 WeakPolarHBondContact O-CB 3.49Å; M1755-V1759 WeakPolarHBondContact O-CG2 2.97Å; M1755-V1759 PolarHBondContact O-N 3.09Å; V1759-K1761 PolarHBondContact O-N 2.95Å; V1759-A1762 CarbonylContact O-C 3.51Å; V1759-A1762 PolarHBondContact O-N 2.95Å; V1759-A1762 VanDerWaalsContact O-N 3.15Å; V1759-T1763 WeakPolarHBondContact CG1-OG1 3.42Å; V1759-T1763 VanDerWaalsContact O-CA 3.25Å; V1759-T1763 WeakPolarHBondContact O-CA 3.4Å; V1759-T1763 WeakPolarHBondContact O-CB 3.47Å; V1759-T1763 PolarHBondContact O-N 3.23Å; V1759-T1763 PolarHBondContact O-OG1 2.74Å |
| 1760 | R | 69.7 | Low | 67.4 | Low | 150 Ų | 150 | 85.3 Ų | 85.3 | 57% | 0.566 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.1 | -20.9 | 167 | -170.6 | -174.6 | -174.3 | -172.3 | 6.9 | 112.5 | S1756 Q1764 | S1756-R1760 VanDerWaalsContact O-CA 3.29Å; S1756-R1760 WeakPolarHBondContact O-CA 3.34Å; S1756-R1760 WeakPolarHBondContact O-CB 3.38Å; S1756-R1760 PolarHBondContact O-N 2.99Å; R1760-Q1764 HydrophobicContact CG-CG 4.2Å; R1760-Q1764 VanDerWaalsContact O-CA 3.3Å; R1760-Q1764 WeakPolarHBondContact O-CA 3.12Å; R1760-Q1764 WeakPolarHBondContact O-CB 3.37Å; R1760-Q1764 WeakPolarHBondContact O-CG 3.45Å; R1760-Q1764 PolarHBondContact O-N 3.08Å |
| 1761 | K | 68.9 | Low | 67.6 | Low | 106 Ų | 106 | 88.7 Ų | 88.7 | 46% | 0.461 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -88.9 | -22.7 | 164.8 | -63.8 | 158.7 | -167.6 | 147.1 | 0 | 113.2 | D1757 V1759 Q1764 Q1765 | D1757-K1761 HydrophobicContact CB-CD 4.27Å; D1757-K1761 VanDerWaalsContact O-CA 3.25Å; D1757-K1761 WeakPolarHBondContact O-CA 3.32Å; D1757-K1761 WeakPolarHBondContact O-CB 3.01Å; D1757-K1761 WeakPolarHBondContact O-CD 3.3Å; D1757-K1761 WeakPolarHBondContact O-CG 3.45Å; D1757-K1761 PolarHBondContact O-N 3.41Å; D1757-K1761 WeakPolarHBondContact OD2-CE 3.41Å; D1757-K1761 IonicContact OD2-NZ 3.7Å; D1757-K1761 PolarHBondContact OD2-NZ 2.93Å; V1759-K1761 PolarHBondContact O-N 2.95Å; K1761-Q1764 CarbonylContact O-C 3.41Å; K1761-Q1765 VanDerWaalsContact O-CA 3.26Å; K1761-Q1765 WeakPolarHBondContact O-CA 3.47Å; K1761-Q1765 WeakPolarHBondContact O-CB 3.38Å; K1761-Q1765 WeakPolarHBondContact O-CG 3.46Å; K1761-Q1765 PolarHBondContact O-N 3.19Å; K1761-Q1765 PolarHBondContact O-OE1 2.68Å; K1761-Q1765 VanDerWaalsContact O-OE1 3.07Å |
| 1762 | A | 67.3 | Low | 67.7 | Low | 49 Ų | 49 | 88.7 Ų | 88.7 | 41% | 0.405 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -87.4 | -9.3 | 169.7 | 0 | 0 | 0 | 0 | 0 | 113 | R1758 V1759 Q1765 A1766 | R1758-A1762 VanDerWaalsContact O-CA 3.32Å; R1758-A1762 WeakPolarHBondContact O-CA 3.47Å; R1758-A1762 WeakPolarHBondContact O-CB 3.47Å; R1758-A1762 PolarHBondContact O-N 2.74Å; V1759-A1762 CarbonylContact O-C 3.51Å; V1759-A1762 PolarHBondContact O-N 2.95Å; V1759-A1762 VanDerWaalsContact O-N 3.15Å; A1762-Q1765 CarbonylContact O-C 3.3Å; A1762-A1766 WeakPolarHBondContact O-CA 3.5Å; A1762-A1766 WeakPolarHBondContact O-CB 3.43Å; A1762-A1766 PolarHBondContact O-N 3.23Å |
| 1763 | T | 71.2 | Confident | 67.8 | Low | 64 Ų | 64 | 87.5 Ų | 87.5 | 39% | 0.393 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -112 | -21.1 | 173.7 | -55.5 | 0 | 0 | 0 | 0 | 109.9 | V1759 Q1765 E1767 | V1759-T1763 WeakPolarHBondContact CG1-OG1 3.42Å; V1759-T1763 VanDerWaalsContact O-CA 3.25Å; V1759-T1763 WeakPolarHBondContact O-CA 3.4Å; V1759-T1763 WeakPolarHBondContact O-CB 3.47Å; V1759-T1763 PolarHBondContact O-N 3.23Å; V1759-T1763 PolarHBondContact O-OG1 2.74Å; T1763-Q1765 VanDerWaalsContact C-N 3.35Å; T1763-E1767 VanDerWaalsContact O-CA 3.31Å; T1763-E1767 WeakPolarHBondContact O-CA 3.47Å; T1763-E1767 WeakPolarHBondContact O-CB 3.29Å; T1763-E1767 WeakPolarHBondContact O-CG 3.35Å; T1763-E1767 PolarHBondContact O-N 3.24Å |
| 1764 | Q | 68 | Low | 68.1 | Low | 91 Ų | 91 | 82.8 Ų | 82.8 | 43% | 0.425 | 44% | 0.439 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.2 | -6.9 | 150.1 | -66.4 | 171.1 | -7.2 | 0 | 0 | 112.2 | R1760 K1761 Q1768 | R1760-Q1764 HydrophobicContact CG-CG 4.2Å; R1760-Q1764 VanDerWaalsContact O-CA 3.3Å; R1760-Q1764 WeakPolarHBondContact O-CA 3.12Å; R1760-Q1764 WeakPolarHBondContact O-CB 3.37Å; R1760-Q1764 WeakPolarHBondContact O-CG 3.45Å; R1760-Q1764 PolarHBondContact O-N 3.08Å; K1761-Q1764 CarbonylContact O-C 3.41Å; Q1764-Q1768 VanDerWaalsContact O-CA 3.28Å; Q1764-Q1768 WeakPolarHBondContact O-CA 3.21Å; Q1764-Q1768 WeakPolarHBondContact O-CB 3.39Å; Q1764-Q1768 WeakPolarHBondContact O-CG 3.49Å; Q1764-Q1768 PolarHBondContact O-N 3.09Å |
| 1765 | Q | 65.3 | Low | 68.2 | Low | 95 Ų | 95 | 85 Ų | 85 | 44% | 0.444 | 45% | 0.448 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.4 | -15.7 | 161.4 | -73.2 | 166 | -45.8 | 0 | 0 | 111.6 | K1761 A1762 T1763 L1769 | K1761-Q1765 VanDerWaalsContact O-CA 3.26Å; K1761-Q1765 WeakPolarHBondContact O-CA 3.47Å; K1761-Q1765 WeakPolarHBondContact O-CB 3.38Å; K1761-Q1765 WeakPolarHBondContact O-CG 3.46Å; K1761-Q1765 PolarHBondContact O-N 3.19Å; K1761-Q1765 PolarHBondContact O-OE1 2.68Å; K1761-Q1765 VanDerWaalsContact O-OE1 3.07Å; A1762-Q1765 CarbonylContact O-C 3.3Å; T1763-Q1765 VanDerWaalsContact C-N 3.35Å; Q1765-L1769 WeakPolarHBondContact O-CA 3.44Å; Q1765-L1769 WeakPolarHBondContact O-CB 3.49Å; Q1765-L1769 WeakPolarHBondContact O-CD1 3.44Å; Q1765-L1769 WeakPolarHBondContact O-CG 3.39Å; Q1765-L1769 PolarHBondContact O-N 3.46Å |
| 1766 | A | 64.6 | Low | 68.2 | Low | 53 Ų | 53 | 86.8 Ų | 86.8 | 44% | 0.438 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.2 | -21.2 | 161.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | A1762 S1770 | A1762-A1766 WeakPolarHBondContact O-CA 3.5Å; A1762-A1766 WeakPolarHBondContact O-CB 3.43Å; A1762-A1766 PolarHBondContact O-N 3.23Å; A1766-S1770 VanDerWaalsContact O-CA 3.3Å; A1766-S1770 WeakPolarHBondContact O-CA 3.13Å; A1766-S1770 WeakPolarHBondContact O-CB 3.33Å; A1766-S1770 PolarHBondContact O-N 3.41Å |
| 1767 | E | 71.5 | Confident | 68.3 | Low | 112 Ų | 112 | 91.6 Ų | 91.6 | 52% | 0.523 | 46% | 0.464 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -25.4 | 162.7 | -69.1 | 178.6 | 152.3 | 0 | 0 | 111.7 | T1763 N1771 | T1763-E1767 VanDerWaalsContact O-CA 3.31Å; T1763-E1767 WeakPolarHBondContact O-CA 3.47Å; T1763-E1767 WeakPolarHBondContact O-CB 3.29Å; T1763-E1767 WeakPolarHBondContact O-CG 3.35Å; T1763-E1767 PolarHBondContact O-N 3.24Å; E1767-N1771 WeakPolarHBondContact O-CA 3.39Å; E1767-N1771 WeakPolarHBondContact O-CB 3.37Å; E1767-N1771 PolarHBondContact O-N 2.95Å; E1767-N1771 PolarHBondContact O-ND2 3.09Å |
| 1768 | Q | 67.1 | Low | 68.6 | Low | 75 Ų | 75 | 91.4 Ų | 91.4 | 35% | 0.35 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.9 | -56.2 | 159 | -84.1 | -177 | -111.5 | 0 | 0 | 108 | Q1764 S1770 N1771 E1772 | Q1764-Q1768 VanDerWaalsContact O-CA 3.28Å; Q1764-Q1768 WeakPolarHBondContact O-CA 3.21Å; Q1764-Q1768 WeakPolarHBondContact O-CB 3.39Å; Q1764-Q1768 WeakPolarHBondContact O-CG 3.49Å; Q1764-Q1768 PolarHBondContact O-N 3.09Å; Q1768-S1770 PolarHBondContact O-N 3.47Å; Q1768-S1770 VanDerWaalsContact O-N 3.09Å; Q1768-N1771 CarbonylContact O-C 3.58Å; Q1768-N1771 VanDerWaalsContact O-C 3.28Å; Q1768-N1771 PolarHBondContact O-N 3.45Å; Q1768-E1772 PolarHBondContact NE2-OE1 3.42Å; Q1768-E1772 VanDerWaalsContact O-CA 3.29Å; Q1768-E1772 WeakPolarHBondContact O-CA 3.5Å; Q1768-E1772 WeakPolarHBondContact O-CB 3.32Å; Q1768-E1772 VanDerWaalsContact O-CG 3.25Å; Q1768-E1772 WeakPolarHBondContact O-CG 3.47Å; Q1768-E1772 PolarHBondContact O-N 3.45Å |
| 1769 | L | 66.8 | Low | 68.7 | Low | 112 Ų | 112 | 87 Ų | 87 | 59% | 0.586 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -65.2 | -14.3 | 177.5 | -63.4 | 167.4 | 0 | 0 | 0 | 114.3 | Q1765 L1773 | Q1765-L1769 WeakPolarHBondContact O-CA 3.44Å; Q1765-L1769 WeakPolarHBondContact O-CB 3.49Å; Q1765-L1769 WeakPolarHBondContact O-CD1 3.44Å; Q1765-L1769 WeakPolarHBondContact O-CG 3.39Å; Q1765-L1769 PolarHBondContact O-N 3.46Å; L1769-L1773 WeakPolarHBondContact O-CA 3.4Å; L1769-L1773 WeakPolarHBondContact O-CB 3.46Å; L1769-L1773 PolarHBondContact O-N 3.01Å |
| 1770 | S | 71.2 | Confident | 68.4 | Low | 69 Ų | 69 | 86 Ų | 86 | 48% | 0.483 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -94 | -26.9 | 167 | -170.5 | 0 | 0 | 0 | 0 | 112.8 | A1766 Q1768 E1772 A1774 | A1766-S1770 VanDerWaalsContact O-CA 3.3Å; A1766-S1770 WeakPolarHBondContact O-CA 3.13Å; A1766-S1770 WeakPolarHBondContact O-CB 3.33Å; A1766-S1770 PolarHBondContact O-N 3.41Å; Q1768-S1770 PolarHBondContact O-N 3.47Å; Q1768-S1770 VanDerWaalsContact O-N 3.09Å; S1770-E1772 VanDerWaalsContact C-N 3.34Å; S1770-A1774 VanDerWaalsContact O-CA 3.31Å; S1770-A1774 WeakPolarHBondContact O-CA 3.49Å; S1770-A1774 WeakPolarHBondContact O-CB 3.23Å; S1770-A1774 PolarHBondContact O-N 2.88Å |
| 1771 | N | 72.4 | Confident | 68.3 | Low | 100 Ų | 100 | 85.7 Ų | 85.7 | 54% | 0.535 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -85.8 | -3.7 | 165.6 | -67.7 | -61.3 | 0 | 0 | 0 | 112.9 | E1767 Q1768 T1775 | E1767-N1771 WeakPolarHBondContact O-CA 3.39Å; E1767-N1771 WeakPolarHBondContact O-CB 3.37Å; E1767-N1771 PolarHBondContact O-N 2.95Å; E1767-N1771 PolarHBondContact O-ND2 3.09Å; Q1768-N1771 CarbonylContact O-C 3.58Å; Q1768-N1771 VanDerWaalsContact O-C 3.28Å; Q1768-N1771 PolarHBondContact O-N 3.45Å; N1771-T1775 WeakPolarHBondContact O-CA 3.43Å; N1771-T1775 WeakPolarHBondContact O-CB 3.41Å; N1771-T1775 WeakPolarHBondContact O-CG2 3.45Å; N1771-T1775 PolarHBondContact O-N 3.43Å; N1771-T1775 PolarHBondContact O-OG1 3.46Å |
| 1772 | E | 67 | Low | 68.3 | Low | 67 Ų | 67 | 86.9 Ų | 86.9 | 31% | 0.313 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -109.7 | -30.9 | 173.3 | -69.5 | 176.8 | -156.3 | 0 | 0 | 107.9 | Q1768 S1770 A1774 E1776 | Q1768-E1772 PolarHBondContact NE2-OE1 3.42Å; Q1768-E1772 VanDerWaalsContact O-CA 3.29Å; Q1768-E1772 WeakPolarHBondContact O-CA 3.5Å; Q1768-E1772 WeakPolarHBondContact O-CB 3.32Å; Q1768-E1772 VanDerWaalsContact O-CG 3.25Å; Q1768-E1772 WeakPolarHBondContact O-CG 3.47Å; Q1768-E1772 PolarHBondContact O-N 3.45Å; S1770-E1772 VanDerWaalsContact C-N 3.34Å; E1772-A1774 VanDerWaalsContact C-N 3.28Å; E1772-E1776 WeakPolarHBondContact O-CA 3.38Å; E1772-E1776 WeakPolarHBondContact O-CB 3.46Å; E1772-E1776 PolarHBondContact O-N 3.44Å |
| 1773 | L | 66.2 | Low | 68.4 | Low | 78 Ų | 78 | 90 Ų | 90 | 41% | 0.408 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -74.2 | -17.8 | 155.7 | -168.8 | 70.7 | 0 | 0 | 0 | 111.5 | L1769 R1777 | L1769-L1773 WeakPolarHBondContact O-CA 3.4Å; L1769-L1773 WeakPolarHBondContact O-CB 3.46Å; L1769-L1773 PolarHBondContact O-N 3.01Å; L1773-R1777 HydrophobicContact CG-CG 4.44Å; L1773-R1777 WeakPolarHBondContact O-CA 3.45Å; L1773-R1777 WeakPolarHBondContact O-CB 3.45Å; L1773-R1777 WeakPolarHBondContact O-CD 3.38Å; L1773-R1777 WeakPolarHBondContact O-CG 3.35Å; L1773-R1777 PolarHBondContact O-N 3.01Å |
| 1774 | A | 72.2 | Confident | 68.1 | Low | 46 Ų | 46 | 92.3 Ų | 92.3 | 38% | 0.38 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -99.3 | -21.3 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | S1770 E1772 S1778 | S1770-A1774 VanDerWaalsContact O-CA 3.31Å; S1770-A1774 WeakPolarHBondContact O-CA 3.49Å; S1770-A1774 WeakPolarHBondContact O-CB 3.23Å; S1770-A1774 PolarHBondContact O-N 2.88Å; E1772-A1774 VanDerWaalsContact C-N 3.28Å; A1774-S1778 WeakPolarHBondContact O-CA 3.37Å; A1774-S1778 WeakPolarHBondContact O-CB 3.42Å; A1774-S1778 PolarHBondContact O-N 3.08Å |
| 1775 | T | 69.2 | Low | 68.1 | Low | 82 Ų | 82 | 90.5 Ų | 90.5 | 50% | 0.503 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -88.3 | -17 | 162.4 | 59.1 | 0 | 0 | 0 | 0 | 113.1 | N1771 S1778 T1779 | N1771-T1775 WeakPolarHBondContact O-CA 3.43Å; N1771-T1775 WeakPolarHBondContact O-CB 3.41Å; N1771-T1775 WeakPolarHBondContact O-CG2 3.45Å; N1771-T1775 PolarHBondContact O-N 3.43Å; N1771-T1775 PolarHBondContact O-OG1 3.46Å; T1775-S1778 CarbonylContact O-C 3.53Å; T1775-T1779 WeakPolarHBondContact O-CA 3.46Å; T1775-T1779 VanDerWaalsContact O-CB 3.23Å; T1775-T1779 WeakPolarHBondContact O-CB 3.43Å; T1775-T1779 WeakPolarHBondContact O-CG2 3.37Å; T1775-T1779 PolarHBondContact O-N 3.34Å; T1775-T1779 PolarHBondContact O-OG1 2.89Å |
| 1776 | E | 65.6 | Low | 68.1 | Low | 125 Ų | 125 | 87.7 Ų | 87.7 | 58% | 0.584 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -92.5 | -25.2 | 163.3 | -160.6 | -166.7 | -113.9 | 0 | 0 | 111.4 | E1772 S1778 T1779 A1780 | E1772-E1776 WeakPolarHBondContact O-CA 3.38Å; E1772-E1776 WeakPolarHBondContact O-CB 3.46Å; E1772-E1776 PolarHBondContact O-N 3.44Å; E1776-S1778 VanDerWaalsContact C-N 3.29Å; E1776-T1779 WeakPolarHBondContact CA-OG1 3.34Å; E1776-A1780 VanDerWaalsContact O-CA 3.29Å; E1776-A1780 WeakPolarHBondContact O-CA 2.92Å; E1776-A1780 WeakPolarHBondContact O-CB 3.16Å; E1776-A1780 PolarHBondContact O-N 3.1Å |
| 1777 | R | 69 | Low | 68.2 | Low | 165 Ų | 165 | 92.7 Ų | 92.7 | 62% | 0.623 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -70.3 | -27.7 | 154.9 | -74.5 | 168.6 | 177.5 | 168.7 | 1.1 | 111.3 | L1773 Q1781 | L1773-R1777 HydrophobicContact CG-CG 4.44Å; L1773-R1777 WeakPolarHBondContact O-CA 3.45Å; L1773-R1777 WeakPolarHBondContact O-CB 3.45Å; L1773-R1777 WeakPolarHBondContact O-CD 3.38Å; L1773-R1777 WeakPolarHBondContact O-CG 3.35Å; L1773-R1777 PolarHBondContact O-N 3.01Å; R1777-Q1781 VanDerWaalsContact O-CA 3.26Å; R1777-Q1781 WeakPolarHBondContact O-CA 3.16Å; R1777-Q1781 WeakPolarHBondContact O-CB 3.46Å; R1777-Q1781 PolarHBondContact O-N 3.33Å |
| 1778 | S | 70.8 | Confident | 68 | Low | 50 Ų | 50 | 91.1 Ų | 91.1 | 35% | 0.35 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -88.1 | -8.5 | 173 | -167.3 | 0 | 0 | 0 | 0 | 113.5 | A1774 T1775 E1776 K1782 | A1774-S1778 WeakPolarHBondContact O-CA 3.37Å; A1774-S1778 WeakPolarHBondContact O-CB 3.42Å; A1774-S1778 PolarHBondContact O-N 3.08Å; T1775-S1778 CarbonylContact O-C 3.53Å; E1776-S1778 VanDerWaalsContact C-N 3.29Å; S1778-K1782 WeakPolarHBondContact O-CA 3.41Å; S1778-K1782 WeakPolarHBondContact O-CB 3.37Å; S1778-K1782 WeakPolarHBondContact O-CD 3.33Å; S1778-K1782 WeakPolarHBondContact O-CG 3.4Å; S1778-K1782 PolarHBondContact O-N 3.28Å |
| 1779 | T | 68.4 | Low | 67.9 | Low | 67 Ų | 67 | 92.5 Ų | 92.5 | 41% | 0.411 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -109.2 | -17 | 167.3 | 62.7 | 0 | 0 | 0 | 0 | 113.3 | T1775 E1776 N1783 | T1775-T1779 WeakPolarHBondContact O-CA 3.46Å; T1775-T1779 VanDerWaalsContact O-CB 3.23Å; T1775-T1779 WeakPolarHBondContact O-CB 3.43Å; T1775-T1779 WeakPolarHBondContact O-CG2 3.37Å; T1775-T1779 PolarHBondContact O-N 3.34Å; T1775-T1779 PolarHBondContact O-OG1 2.89Å; E1776-T1779 WeakPolarHBondContact CA-OG1 3.34Å; T1779-N1783 WeakPolarHBondContact O-CA 3.47Å; T1779-N1783 WeakPolarHBondContact O-CB 3.2Å; T1779-N1783 PolarHBondContact O-N 3.09Å; T1779-N1783 PolarHBondContact O-ND2 3.4Å; T1779-N1783 VanDerWaalsContact O-ND2 3.15Å; T1779-N1783 PolarHBondContact O-OD1 3.45Å |
| 1780 | A | 64 | Low | 67.5 | Low | 51 Ų | 51 | 91.9 Ų | 91.9 | 42% | 0.421 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -75.6 | -41.5 | 155.1 | 0 | 0 | 0 | 0 | 0 | 109.2 | E1776 N1783 E1784 | E1776-A1780 VanDerWaalsContact O-CA 3.29Å; E1776-A1780 WeakPolarHBondContact O-CA 2.92Å; E1776-A1780 WeakPolarHBondContact O-CB 3.16Å; E1776-A1780 PolarHBondContact O-N 3.1Å; A1780-N1783 CarbonylContact O-C 3.58Å; A1780-N1783 PolarHBondContact O-N 3.19Å; A1780-E1784 VanDerWaalsContact O-CA 3.31Å; A1780-E1784 WeakPolarHBondContact O-CA 3.27Å; A1780-E1784 WeakPolarHBondContact O-CB 3.49Å; A1780-E1784 PolarHBondContact O-N 2.98Å |
| 1781 | Q | 67.7 | Low | 67 | Low | 142 Ų | 142 | 93.2 Ų | 93.2 | 66% | 0.664 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -78.7 | -17.9 | 170.5 | -162.1 | 176.6 | 32.6 | 0 | 0 | 112.8 | R1777 S1785 | R1777-Q1781 VanDerWaalsContact O-CA 3.26Å; R1777-Q1781 WeakPolarHBondContact O-CA 3.16Å; R1777-Q1781 WeakPolarHBondContact O-CB 3.46Å; R1777-Q1781 PolarHBondContact O-N 3.33Å; Q1781-S1785 VanDerWaalsContact O-CA 3.27Å; Q1781-S1785 WeakPolarHBondContact O-CA 3.38Å; Q1781-S1785 WeakPolarHBondContact O-CB 3.34Å; Q1781-S1785 PolarHBondContact O-N 3.31Å; Q1781-S1785 PolarHBondContact O-OG 3.03Å |
| 1782 | K | 69.9 | Low | 66.6 | Low | 131 Ų | 131 | 96 Ų | 96 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -85.6 | -25.2 | 160.7 | -80.5 | 174.3 | 174.8 | 179.9 | 0 | 113.4 | S1778 A1786 | S1778-K1782 WeakPolarHBondContact O-CA 3.41Å; S1778-K1782 WeakPolarHBondContact O-CB 3.37Å; S1778-K1782 WeakPolarHBondContact O-CD 3.33Å; S1778-K1782 WeakPolarHBondContact O-CG 3.4Å; S1778-K1782 PolarHBondContact O-N 3.28Å; K1782-A1786 VanDerWaalsContact O-CA 3.23Å; K1782-A1786 WeakPolarHBondContact O-CA 3.46Å; K1782-A1786 WeakPolarHBondContact O-CB 3.39Å; K1782-A1786 PolarHBondContact O-N 2.8Å |
| 1783 | N | 67.5 | Low | 66.2 | Low | 116 Ų | 116 | 96.3 Ų | 96.3 | 62% | 0.62 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -84.4 | -19.7 | 172 | -69.3 | -17 | 0 | 0 | 0 | 111.1 | T1779 A1780 R1787 | T1779-N1783 WeakPolarHBondContact O-CA 3.47Å; T1779-N1783 WeakPolarHBondContact O-CB 3.2Å; T1779-N1783 PolarHBondContact O-N 3.09Å; T1779-N1783 PolarHBondContact O-ND2 3.4Å; T1779-N1783 VanDerWaalsContact O-ND2 3.15Å; T1779-N1783 PolarHBondContact O-OD1 3.45Å; A1780-N1783 CarbonylContact O-C 3.58Å; A1780-N1783 PolarHBondContact O-N 3.19Å; N1783-R1787 WeakPolarHBondContact O-CA 3.36Å; N1783-R1787 WeakPolarHBondContact O-CB 3.35Å; N1783-R1787 PolarHBondContact O-N 2.87Å |
| 1784 | E | 65.4 | Low | 65.7 | Low | 111 Ų | 111 | 96.4 Ų | 96.4 | 52% | 0.519 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -96.3 | -27.7 | 170.2 | -171.6 | 159.1 | -149.7 | 0 | 0 | 111.2 | A1780 Q1788 | A1780-E1784 VanDerWaalsContact O-CA 3.31Å; A1780-E1784 WeakPolarHBondContact O-CA 3.27Å; A1780-E1784 WeakPolarHBondContact O-CB 3.49Å; A1780-E1784 PolarHBondContact O-N 2.98Å; E1784-Q1788 HydrophobicContact CG-CG 4.32Å; E1784-Q1788 WeakPolarHBondContact O-CA 3.28Å; E1784-Q1788 WeakPolarHBondContact O-CB 2.91Å; E1784-Q1788 WeakPolarHBondContact O-CG 3.18Å; E1784-Q1788 PolarHBondContact O-N 3.35Å |
| 1785 | S | 68.4 | Low | 65.3 | Low | 53 Ų | 53 | 99.9 Ų | 99.9 | 37% | 0.371 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -77.5 | -21.8 | 160.2 | 88 | 0 | 0 | 0 | 0 | 112 | Q1781 Q1788 Q1789 | Q1781-S1785 VanDerWaalsContact O-CA 3.27Å; Q1781-S1785 WeakPolarHBondContact O-CA 3.38Å; Q1781-S1785 WeakPolarHBondContact O-CB 3.34Å; Q1781-S1785 PolarHBondContact O-N 3.31Å; Q1781-S1785 PolarHBondContact O-OG 3.03Å; S1785-Q1788 CarbonylContact O-C 3.48Å; S1785-Q1789 VanDerWaalsContact O-CA 3.28Å; S1785-Q1789 WeakPolarHBondContact O-CA 3.36Å; S1785-Q1789 WeakPolarHBondContact O-CB 3.47Å; S1785-Q1789 PolarHBondContact O-N 3.19Å |
| 1786 | A | 66.1 | Low | 65 | Low | 36 Ų | 36 | 100.2 Ų | 100.2 | 30% | 0.298 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -91.4 | -18.1 | 169.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | K1782 Q1789 L1790 | K1782-A1786 VanDerWaalsContact O-CA 3.23Å; K1782-A1786 WeakPolarHBondContact O-CA 3.46Å; K1782-A1786 WeakPolarHBondContact O-CB 3.39Å; K1782-A1786 PolarHBondContact O-N 2.8Å; A1786-Q1789 CarbonylContact O-C 3.5Å; A1786-L1790 WeakPolarHBondContact O-CA 3.48Å; A1786-L1790 WeakPolarHBondContact O-CB 3.34Å; A1786-L1790 WeakPolarHBondContact O-CD1 3.4Å; A1786-L1790 WeakPolarHBondContact O-CG 3.48Å; A1786-L1790 PolarHBondContact O-N 3.16Å |
| 1787 | R | 66 | Low | 64.4 | Low | 158 Ų | 158 | 99.5 Ų | 99.5 | 60% | 0.596 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -78.8 | -41.6 | 161 | 177.3 | 177.9 | 161.3 | -177.1 | -7.7 | 109.8 | N1783 Q1789 L1790 E1791 | N1783-R1787 WeakPolarHBondContact O-CA 3.36Å; N1783-R1787 WeakPolarHBondContact O-CB 3.35Å; N1783-R1787 PolarHBondContact O-N 2.87Å; R1787-Q1789 VanDerWaalsContact C-N 3.25Å; R1787-Q1789 PolarHBondContact O-N 3.26Å; R1787-L1790 CarbonylContact O-C 3.51Å; R1787-L1790 PolarHBondContact O-N 2.81Å; R1787-E1791 HydrophobicContact CG-CG 4.38Å; R1787-E1791 IonicContact CZ-OE1 2.69Å; R1787-E1791 IonicContact NE-OE1 3.75Å; R1787-E1791 PolarHBondContact NE-OE1 3.01Å; R1787-E1791 IonicContact NH2-OE1 3.94Å; R1787-E1791 WeakPolarHBondContact O-CA 3.37Å; R1787-E1791 WeakPolarHBondContact O-CB 3.27Å; R1787-E1791 VanDerWaalsContact O-CG 3.25Å; R1787-E1791 WeakPolarHBondContact O-CG 3.27Å; R1787-E1791 PolarHBondContact O-N 3.2Å |
| 1788 | Q | 67.9 | Low | 63.8 | Low | 80 Ų | 80 | 99.9 Ų | 99.9 | 37% | 0.374 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.6 | -15.4 | 167.4 | -66.9 | 178.1 | 26.9 | 0 | 0 | 112.6 | E1784 S1785 R1792 | E1784-Q1788 HydrophobicContact CG-CG 4.32Å; E1784-Q1788 WeakPolarHBondContact O-CA 3.28Å; E1784-Q1788 WeakPolarHBondContact O-CB 2.91Å; E1784-Q1788 WeakPolarHBondContact O-CG 3.18Å; E1784-Q1788 PolarHBondContact O-N 3.35Å; S1785-Q1788 CarbonylContact O-C 3.48Å; Q1788-R1792 VanDerWaalsContact O-CA 3.31Å; Q1788-R1792 WeakPolarHBondContact O-CA 3.36Å; Q1788-R1792 WeakPolarHBondContact O-CB 3.28Å; Q1788-R1792 WeakPolarHBondContact O-CD 3.33Å; Q1788-R1792 WeakPolarHBondContact O-CG 3.25Å; Q1788-R1792 PolarHBondContact O-N 2.92Å |
| 1789 | Q | 63.4 | Low | 63.2 | Low | 104 Ų | 104 | 100 Ų | 100 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -101.4 | -3 | 168.4 | -170.7 | 178.6 | 23.5 | 0 | 0 | 112.2 | S1785 A1786 R1787 Q1793 | S1785-Q1789 VanDerWaalsContact O-CA 3.28Å; S1785-Q1789 WeakPolarHBondContact O-CA 3.36Å; S1785-Q1789 WeakPolarHBondContact O-CB 3.47Å; S1785-Q1789 PolarHBondContact O-N 3.19Å; A1786-Q1789 CarbonylContact O-C 3.5Å; R1787-Q1789 VanDerWaalsContact C-N 3.25Å; R1787-Q1789 PolarHBondContact O-N 3.26Å; Q1789-Q1793 VanDerWaalsContact C-N 3.34Å; Q1789-Q1793 HydrophobicContact CG-CG 4.12Å; Q1789-Q1793 VanDerWaalsContact O-CA 3.28Å; Q1789-Q1793 WeakPolarHBondContact O-CA 3.5Å; Q1789-Q1793 WeakPolarHBondContact O-CB 3.2Å; Q1789-Q1793 WeakPolarHBondContact O-CG 3.25Å; Q1789-Q1793 PolarHBondContact O-N 3.23Å |
| 1790 | L | 59.2 | Low | 62.5 | Low | 99 Ų | 99 | 100.8 Ų | 100.8 | 52% | 0.518 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -100.5 | -15.8 | 160.8 | -75.2 | 167.5 | 0 | 0 | 0 | 111.3 | A1786 R1787 N1794 | A1786-L1790 WeakPolarHBondContact O-CA 3.48Å; A1786-L1790 WeakPolarHBondContact O-CB 3.34Å; A1786-L1790 WeakPolarHBondContact O-CD1 3.4Å; A1786-L1790 WeakPolarHBondContact O-CG 3.48Å; A1786-L1790 PolarHBondContact O-N 3.16Å; R1787-L1790 CarbonylContact O-C 3.51Å; R1787-L1790 PolarHBondContact O-N 2.81Å; L1790-N1794 WeakPolarHBondContact O-CA 3.23Å; L1790-N1794 WeakPolarHBondContact O-CB 3.24Å; L1790-N1794 PolarHBondContact O-N 3.45Å; L1790-N1794 PolarHBondContact O-ND2 3.28Å |
| 1791 | E | 61.3 | Low | 62 | Low | 97 Ų | 97 | 103.9 Ų | 103.9 | 45% | 0.453 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -89.9 | -33 | 163.3 | -72.8 | 175.7 | -176.4 | 0 | 0 | 109.8 | R1787 K1795 | R1787-E1791 HydrophobicContact CG-CG 4.38Å; R1787-E1791 IonicContact CZ-OE1 2.69Å; R1787-E1791 IonicContact NE-OE1 3.75Å; R1787-E1791 PolarHBondContact NE-OE1 3.01Å; R1787-E1791 IonicContact NH2-OE1 3.94Å; R1787-E1791 WeakPolarHBondContact O-CA 3.37Å; R1787-E1791 WeakPolarHBondContact O-CB 3.27Å; R1787-E1791 VanDerWaalsContact O-CG 3.25Å; R1787-E1791 WeakPolarHBondContact O-CG 3.27Å; R1787-E1791 PolarHBondContact O-N 3.2Å; E1791-K1795 WeakPolarHBondContact O-CA 3.2Å; E1791-K1795 WeakPolarHBondContact O-CB 3.07Å; E1791-K1795 VanDerWaalsContact O-CG 3.31Å; E1791-K1795 WeakPolarHBondContact O-CG 3.28Å; E1791-K1795 PolarHBondContact O-N 3.2Å |
| 1792 | R | 63.5 | Low | 61.3 | Low | 157 Ų | 157 | 103.8 Ų | 103.8 | 59% | 0.592 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -81.6 | -18.2 | 161 | -67.4 | 169.3 | -178.5 | 158.6 | 3.6 | 113.2 | Q1788 E1796 | Q1788-R1792 VanDerWaalsContact O-CA 3.31Å; Q1788-R1792 WeakPolarHBondContact O-CA 3.36Å; Q1788-R1792 WeakPolarHBondContact O-CB 3.28Å; Q1788-R1792 WeakPolarHBondContact O-CD 3.33Å; Q1788-R1792 WeakPolarHBondContact O-CG 3.25Å; Q1788-R1792 PolarHBondContact O-N 2.92Å; R1792-E1796 VanDerWaalsContact O-CA 3.24Å; R1792-E1796 WeakPolarHBondContact O-CA 3.39Å; R1792-E1796 WeakPolarHBondContact O-CB 3.36Å; R1792-E1796 WeakPolarHBondContact O-CG 3.19Å; R1792-E1796 PolarHBondContact O-N 3Å |
| 1793 | Q | 57.8 | Low | 60.6 | Low | 75 Ų | 75 | 102.8 Ų | 102.8 | 35% | 0.35 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -90.3 | -12.8 | 160.9 | -71.8 | 168 | 2.9 | 0 | 0 | 112.1 | Q1789 L1797 | Q1789-Q1793 VanDerWaalsContact C-N 3.34Å; Q1789-Q1793 HydrophobicContact CG-CG 4.12Å; Q1789-Q1793 VanDerWaalsContact O-CA 3.28Å; Q1789-Q1793 WeakPolarHBondContact O-CA 3.5Å; Q1789-Q1793 WeakPolarHBondContact O-CB 3.2Å; Q1789-Q1793 WeakPolarHBondContact O-CG 3.25Å; Q1789-Q1793 PolarHBondContact O-N 3.23Å; Q1793-L1797 HydrophobicContact CB-CD1 4.37Å; Q1793-L1797 HydrophobicContact CB-CG 4.42Å; Q1793-L1797 VanDerWaalsContact O-CA 3.3Å; Q1793-L1797 WeakPolarHBondContact O-CA 3.39Å; Q1793-L1797 WeakPolarHBondContact O-CB 3.46Å; Q1793-L1797 WeakPolarHBondContact O-CD1 3.42Å; Q1793-L1797 WeakPolarHBondContact O-CG 3.31Å; Q1793-L1797 PolarHBondContact O-N 2.96Å |
| 1794 | N | 57.6 | Low | 59.9 | Low | 79 Ų | 79 | 103 Ų | 103 | 42% | 0.422 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -80 | -39 | 160 | -93.5 | -87.8 | 0 | 0 | 0 | 110.4 | L1790 R1798 | L1790-N1794 WeakPolarHBondContact O-CA 3.23Å; L1790-N1794 WeakPolarHBondContact O-CB 3.24Å; L1790-N1794 PolarHBondContact O-N 3.45Å; L1790-N1794 PolarHBondContact O-ND2 3.28Å; N1794-R1798 WeakPolarHBondContact O-CB 3.28Å; N1794-R1798 VanDerWaalsContact O-CD 3.23Å; N1794-R1798 WeakPolarHBondContact O-CD 3.31Å; N1794-R1798 WeakPolarHBondContact O-CG 3.14Å; N1794-R1798 PolarHBondContact O-N 3.33Å |
| 1795 | K | 63 | Low | 59.4 | Low | 119 Ų | 119 | 104 Ų | 104 | 52% | 0.517 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.6 | -37.8 | 170.1 | -77.3 | 180 | 169.5 | -179.7 | 0 | 111.8 | E1791 S1799 | E1791-K1795 WeakPolarHBondContact O-CA 3.2Å; E1791-K1795 WeakPolarHBondContact O-CB 3.07Å; E1791-K1795 VanDerWaalsContact O-CG 3.31Å; E1791-K1795 WeakPolarHBondContact O-CG 3.28Å; E1791-K1795 PolarHBondContact O-N 3.2Å; K1795-S1799 WeakPolarHBondContact O-CA 3.42Å; K1795-S1799 WeakPolarHBondContact O-CB 3.47Å; K1795-S1799 PolarHBondContact O-N 3.38Å |
| 1796 | E | 62.2 | Low | 58.5 | Low | 89 Ų | 89 | 104.2 Ų | 104.2 | 42% | 0.416 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -85 | -18.4 | 173.2 | -71 | -174.2 | 172.8 | 0 | 0 | 113.7 | R1792 K1800 | R1792-E1796 VanDerWaalsContact O-CA 3.24Å; R1792-E1796 WeakPolarHBondContact O-CA 3.39Å; R1792-E1796 WeakPolarHBondContact O-CB 3.36Å; R1792-E1796 WeakPolarHBondContact O-CG 3.19Å; R1792-E1796 PolarHBondContact O-N 3Å; E1796-K1800 HydrophobicContact CB-CD 4.17Å; E1796-K1800 HydrophobicContact CB-CG 4.47Å; E1796-K1800 WeakPolarHBondContact O-CA 3.21Å; E1796-K1800 WeakPolarHBondContact O-CB 3.43Å; E1796-K1800 WeakPolarHBondContact O-CD 3.05Å; E1796-K1800 WeakPolarHBondContact O-CG 3.35Å; E1796-K1800 PolarHBondContact O-N 3.43Å; E1796-K1800 IonicContact OE1-NZ 3.21Å; E1796-K1800 WeakPolarHBondContact OE2-CE 3.34Å; E1796-K1800 IonicContact OE2-NZ 2.74Å; E1796-K1800 PolarHBondContact OE2-NZ 3.08Å |
| 1797 | L | 53.1 | Low | 57.5 | Low | 111 Ų | 111 | 104.8 Ų | 104.8 | 58% | 0.581 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -85.2 | -22.1 | 165.2 | -66.4 | 167.7 | 0 | 0 | 0 | 110.6 | Q1793 L1801 | Q1793-L1797 HydrophobicContact CB-CD1 4.37Å; Q1793-L1797 HydrophobicContact CB-CG 4.42Å; Q1793-L1797 VanDerWaalsContact O-CA 3.3Å; Q1793-L1797 WeakPolarHBondContact O-CA 3.39Å; Q1793-L1797 WeakPolarHBondContact O-CB 3.46Å; Q1793-L1797 WeakPolarHBondContact O-CD1 3.42Å; Q1793-L1797 WeakPolarHBondContact O-CG 3.31Å; Q1793-L1797 PolarHBondContact O-N 2.96Å; L1797-L1801 WeakPolarHBondContact O-CB 3.45Å; L1797-L1801 PolarHBondContact O-N 3.48Å |
| 1798 | R | 57.7 | Low | 56.8 | Low | 172 Ų | 172 | 102.9 Ų | 102.9 | 65% | 0.649 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -76 | -37.3 | 164.4 | -67.1 | 164.7 | -168.3 | -142 | -2.5 | 111.2 | N1794 H1802 | N1794-R1798 WeakPolarHBondContact O-CB 3.28Å; N1794-R1798 VanDerWaalsContact O-CD 3.23Å; N1794-R1798 WeakPolarHBondContact O-CD 3.31Å; N1794-R1798 WeakPolarHBondContact O-CG 3.14Å; N1794-R1798 PolarHBondContact O-N 3.33Å; R1798-H1802 PolarHBondContact O-N 3.33Å |
| 1799 | S | 57 | Low | 55.8 | Low | 54 Ų | 54 | 108.5 Ų | 108.5 | 38% | 0.378 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -82.1 | -24.9 | 176 | -159.6 | 0 | 0 | 0 | 0 | 113.1 | K1795 H1802 E1803 | K1795-S1799 WeakPolarHBondContact O-CA 3.42Å; K1795-S1799 WeakPolarHBondContact O-CB 3.47Å; K1795-S1799 PolarHBondContact O-N 3.38Å; S1799-H1802 CarbonylContact O-C 3.51Å; S1799-H1802 WeakPolarHBondContact O-CB 3.24Å; S1799-H1802 PolarHBondContact O-N 2.98Å; S1799-E1803 VanDerWaalsContact O-CB 3.31Å; S1799-E1803 WeakPolarHBondContact O-CB 3.23Å; S1799-E1803 VanDerWaalsContact O-CG 3.22Å; S1799-E1803 WeakPolarHBondContact O-CG 3.47Å; S1799-E1803 PolarHBondContact O-N 2.67Å |
| 1800 | K | 52.9 | Low | 55 | Low | 82 Ų | 82 | 108.2 Ų | 108.2 | 36% | 0.357 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -95.5 | -7.7 | 169.1 | -60.7 | 165.7 | 176.4 | 162.8 | 0 | 113.4 | E1796 E1803 M1804 | E1796-K1800 HydrophobicContact CB-CD 4.17Å; E1796-K1800 HydrophobicContact CB-CG 4.47Å; E1796-K1800 WeakPolarHBondContact O-CA 3.21Å; E1796-K1800 WeakPolarHBondContact O-CB 3.43Å; E1796-K1800 WeakPolarHBondContact O-CD 3.05Å; E1796-K1800 WeakPolarHBondContact O-CG 3.35Å; E1796-K1800 PolarHBondContact O-N 3.43Å; E1796-K1800 IonicContact OE1-NZ 3.21Å; E1796-K1800 WeakPolarHBondContact OE2-CE 3.34Å; E1796-K1800 IonicContact OE2-NZ 2.74Å; E1796-K1800 PolarHBondContact OE2-NZ 3.08Å; K1800-E1803 HydrophobicContact CG-CB 4.45Å; K1800-M1804 HydrophobicContact CB-CG 4.19Å; K1800-M1804 WeakPolarHBondContact O-CA 3.46Å; K1800-M1804 WeakPolarHBondContact O-CB 3.21Å; K1800-M1804 WeakPolarHBondContact O-CG 3.45Å; K1800-M1804 PolarHBondContact O-N 3.1Å |
| 1801 | L | 54.6 | Low | 54.5 | Low | 116 Ų | 116 | 111.8 Ų | 111.8 | 61% | 0.607 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63 | -53.2 | 149.9 | -162.3 | 69.5 | 0 | 0 | 0 | 106.9 | L1797 E1803 M1804 E1805 | L1797-L1801 WeakPolarHBondContact O-CB 3.45Å; L1797-L1801 PolarHBondContact O-N 3.48Å; L1801-E1803 PolarHBondContact O-N 2.71Å; L1801-M1804 PolarHBondContact O-N 2.72Å; L1801-E1805 VanDerWaalsContact O-CB 3.24Å; L1801-E1805 WeakPolarHBondContact O-CB 3.03Å; L1801-E1805 WeakPolarHBondContact O-CG 3.38Å; L1801-E1805 PolarHBondContact O-N 2.99Å |
| 1802 | H | 52.8 | Low | 54.1 | Low | 141 Ų | 141 | 116 Ų | 116 | 65% | 0.653 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -61.5 | -34 | 174.9 | -101.4 | 0.8 | 0 | 0 | 0 | 116.4 | R1798 S1799 E1805 | R1798-H1802 PolarHBondContact O-N 3.33Å; S1799-H1802 CarbonylContact O-C 3.51Å; S1799-H1802 WeakPolarHBondContact O-CB 3.24Å; S1799-H1802 PolarHBondContact O-N 2.98Å; H1802-E1805 WeakPolarHBondContact CA-OE2 3.47Å; H1802-E1805 IonicContact CE1-OE2 3.63Å; H1802-E1805 IonicContact CG-OE2 2.58Å; H1802-E1805 IonicContact ND1-OE2 3.65Å; H1802-E1805 PolarHBondContact ND1-OE2 2.69Å |
| 1803 | E | 54.9 | Low | 53.4 | Low | 110 Ų | 110 | 118 Ų | 118 | 51% | 0.514 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -88.6 | -32.3 | 178.8 | -73.2 | 169.4 | 176.3 | 0 | 0 | 111.9 | S1799 K1800 L1801 E1805 G1806 A1807 | S1799-E1803 VanDerWaalsContact O-CB 3.31Å; S1799-E1803 WeakPolarHBondContact O-CB 3.23Å; S1799-E1803 VanDerWaalsContact O-CG 3.22Å; S1799-E1803 WeakPolarHBondContact O-CG 3.47Å; S1799-E1803 PolarHBondContact O-N 2.67Å; K1800-E1803 HydrophobicContact CG-CB 4.45Å; L1801-E1803 PolarHBondContact O-N 2.71Å; E1803-E1805 VanDerWaalsContact C-N 3.32Å; E1803-G1806 CarbonylContact O-C 3.6Å; E1803-G1806 WeakPolarHBondContact O-CA 3.34Å; E1803-G1806 PolarHBondContact O-N 3.27Å; E1803-A1807 WeakPolarHBondContact O-CA 3.31Å; E1803-A1807 WeakPolarHBondContact O-CB 3.14Å; E1803-A1807 PolarHBondContact O-N 2.74Å |
| 1804 | M | 52.3 | Low | 53.4 | Low | 120 Ų | 120 | 118.2 Ų | 118.2 | 59% | 0.591 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -74.8 | -23.8 | 171.5 | -62.4 | -86.1 | -78.7 | 0 | 0 | 111.9 | K1800 L1801 G1806 A1807 | K1800-M1804 HydrophobicContact CB-CG 4.19Å; K1800-M1804 WeakPolarHBondContact O-CA 3.46Å; K1800-M1804 WeakPolarHBondContact O-CB 3.21Å; K1800-M1804 WeakPolarHBondContact O-CG 3.45Å; K1800-M1804 PolarHBondContact O-N 3.1Å; L1801-M1804 PolarHBondContact O-N 2.72Å; M1804-G1806 PolarHBondContact O-N 3.19Å; M1804-G1806 VanDerWaalsContact O-N 3.16Å; M1804-A1807 PolarHBondContact O-N 3.24Å |
| 1805 | E | 56 | Low | 53.3 | Low | 133 Ų | 133 | 118.6 Ų | 118.6 | 62% | 0.621 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -55 | -21.5 | 160.9 | -81.3 | 170.2 | 160.6 | 0 | 0 | 111.8 | L1801 H1802 E1803 | L1801-E1805 VanDerWaalsContact O-CB 3.24Å; L1801-E1805 WeakPolarHBondContact O-CB 3.03Å; L1801-E1805 WeakPolarHBondContact O-CG 3.38Å; L1801-E1805 PolarHBondContact O-N 2.99Å; H1802-E1805 WeakPolarHBondContact CA-OE2 3.47Å; H1802-E1805 IonicContact CE1-OE2 3.63Å; H1802-E1805 IonicContact CG-OE2 2.58Å; H1802-E1805 IonicContact ND1-OE2 3.65Å; H1802-E1805 PolarHBondContact ND1-OE2 2.69Å; E1803-E1805 VanDerWaalsContact C-N 3.32Å |
| 1806 | G | 50.4 | Low | 52.9 | Low | 56 Ų | 56 | 118.8 Ų | 118.8 | 58% | 0.577 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -107 | -34.1 | 169.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | E1803 M1804 V1808 | E1803-G1806 CarbonylContact O-C 3.6Å; E1803-G1806 WeakPolarHBondContact O-CA 3.34Å; E1803-G1806 PolarHBondContact O-N 3.27Å; M1804-G1806 PolarHBondContact O-N 3.19Å; M1804-G1806 VanDerWaalsContact O-N 3.16Å; G1806-V1808 PolarHBondContact O-N 3.36Å |
| 1807 | A | 43.7 | Very low | 52.9 | Low | 49 Ų | 49 | 117.6 Ų | 117.6 | 41% | 0.405 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -91 | 13 | -159.2 | 0 | 0 | 0 | 0 | 0 | 115.8 | E1803 M1804 K1809 | E1803-A1807 WeakPolarHBondContact O-CA 3.31Å; E1803-A1807 WeakPolarHBondContact O-CB 3.14Å; E1803-A1807 PolarHBondContact O-N 2.74Å; M1804-A1807 PolarHBondContact O-N 3.24Å; A1807-K1809 PolarHBondContact O-N 3.41Å |
| 1808 | V | 51.5 | Low | 53.4 | Low | 117 Ų | 117 | 115.1 Ų | 115.1 | 71% | 0.709 | 61% | 0.609 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -48.5 | -19.2 | 175.7 | 167.8 | 0 | 0 | 0 | 0 | 114.7 | G1806 | G1806-V1808 PolarHBondContact O-N 3.36Š|
| 1809 | K | 48.1 | Very low | 53.2 | Low | 199 Ų | 199 | 111.9 Ų | 111.9 | 87% | 0.865 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.1 | -6.9 | -161.1 | -69.2 | -178.2 | 175.9 | 174.9 | 0 | 118.3 | A1807 | A1807-K1809 PolarHBondContact O-N 3.41Š|
| 1810 | S | 44.7 | Very low | 53.3 | Low | 98 Ų | 98 | 115.9 Ų | 115.9 | 69% | 0.685 | 62% | 0.616 | S | S | * | * | trans | -114.7 | 10.8 | -172.6 | 63.1 | 0 | 0 | 0 | 0 | 116.3 | F1812 | S1810-F1812 PolarHBondContact O-N 3.05Š| ||
| 1811 | K | 48.5 | Very low | 53.8 | Low | 173 Ų | 173 | 114.5 Ų | 114.5 | 75% | 0.752 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | 23.2 | -166.4 | -146.8 | 178.5 | -174.5 | 179.7 | 0 | 117.8 | ||
| 1812 | F | 53.7 | Low | 54.2 | Low | 187 Ų | 187 | 114.4 Ų | 114.4 | 82% | 0.82 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -126.5 | -11.7 | -167.1 | -92.2 | -75.5 | 0 | 0 | 0 | 117.4 | S1810 | S1810-F1812 PolarHBondContact O-N 3.05Š|
| 1813 | K | 48.5 | Very low | 54.7 | Low | 199 Ų | 199 | 112.8 Ų | 112.8 | 87% | 0.865 | 61% | 0.61 | S | S | * | * | S | Bend | trans | -95.9 | -10.1 | 177.1 | -105 | -171.3 | 175.6 | -172.5 | 0 | 114.9 | T1815 | K1813-T1815 VanDerWaalsContact C-N 3.27Å; K1813-T1815 PolarHBondContact O-N 3.14Å |
| 1814 | S | 59 | Low | 55.4 | Low | 79 Ų | 79 | 110.1 Ų | 110.1 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -70 | -17.5 | -177.4 | 45.9 | 0 | 0 | 0 | 0 | 114.6 | A1818 | S1814-A1818 WeakPolarHBondContact O-CB 3.35Å; S1814-A1818 PolarHBondContact O-N 2.65Å |
| 1815 | T | 55.7 | Low | 56 | Low | 86 Ų | 86 | 109.3 Ų | 109.3 | 53% | 0.528 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -74.2 | -30.1 | -166.2 | -32.8 | 0 | 0 | 0 | 0 | 114.9 | K1813 L1819 | K1813-T1815 VanDerWaalsContact C-N 3.27Å; K1813-T1815 PolarHBondContact O-N 3.14Å; T1815-L1819 WeakPolarHBondContact O-CG 3.21Å |
| 1816 | I | 53.4 | Low | 56.6 | Low | 123 Ų | 123 | 107.3 Ų | 107.3 | 63% | 0.631 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -82.9 | -47.6 | -176.4 | -63.4 | 175.8 | 0 | 0 | 0 | 110.9 | A1818 L1819 E1820 | I1816-A1818 PolarHBondContact O-N 3.46Å; I1816-L1819 PolarHBondContact O-N 2.99Å; I1816-E1820 PolarHBondContact O-N 2.94Å; I1816-E1820 VanDerWaalsContact O-N 3.16Å |
| 1817 | A | 63 | Low | 57.3 | Low | 64 Ų | 64 | 111.2 Ų | 111.2 | 53% | 0.529 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -58.2 | -34.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L1819 A1821 | A1817-L1819 PolarHBondContact O-N 3.17Å; A1817-A1821 WeakPolarHBondContact O-CB 3.01Å; A1817-A1821 PolarHBondContact O-N 2.77Å |
| 1818 | A | 62.2 | Low | 58.4 | Low | 60 Ų | 60 | 114.4 Ų | 114.4 | 50% | 0.496 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -79.1 | 15.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115 | S1814 I1816 K1822 | S1814-A1818 WeakPolarHBondContact O-CB 3.35Å; S1814-A1818 PolarHBondContact O-N 2.65Å; I1816-A1818 PolarHBondContact O-N 3.46Å; A1818-K1822 WeakPolarHBondContact O-CB 3.1Å |
| 1819 | L | 55 | Low | 59 | Low | 103 Ų | 103 | 113.4 Ų | 113.4 | 54% | 0.539 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -118.3 | -43.2 | 166.4 | -74.9 | 172.4 | 0 | 0 | 0 | 111.3 | T1815 I1816 A1817 K1822 I1823 | T1815-L1819 WeakPolarHBondContact O-CG 3.21Å; I1816-L1819 PolarHBondContact O-N 2.99Å; A1817-L1819 PolarHBondContact O-N 3.17Å; L1819-K1822 CarbonylContact O-C 3.52Å; L1819-K1822 WeakPolarHBondContact O-CA 3.26Å; L1819-K1822 WeakPolarHBondContact O-CB 3.25Å; L1819-K1822 PolarHBondContact O-N 2.64Å; L1819-I1823 PolarHBondContact O-N 3.39Å |
| 1820 | E | 59.4 | Low | 59.8 | Low | 138 Ų | 138 | 108.1 Ų | 108.1 | 65% | 0.645 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -67.4 | -47.2 | 174.4 | -67.5 | 173.3 | 149.9 | 0 | 0 | 111.1 | I1816 K1822 I1823 A1824 | I1816-E1820 PolarHBondContact O-N 2.94Å; I1816-E1820 VanDerWaalsContact O-N 3.16Å; E1820-K1822 PolarHBondContact O-N 3.03Å; E1820-K1822 VanDerWaalsContact O-N 3.12Å; E1820-I1823 PolarHBondContact O-N 2.96Å; E1820-A1824 PolarHBondContact O-N 2.97Å |
| 1821 | A | 62.9 | Low | 61 | Low | 53 Ų | 53 | 108.2 Ų | 108.2 | 44% | 0.438 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -64 | -14.5 | 168.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A1817 Q1825 | A1817-A1821 WeakPolarHBondContact O-CB 3.01Å; A1817-A1821 PolarHBondContact O-N 2.77Å; A1821-Q1825 WeakPolarHBondContact O-CB 3.45Å; A1821-Q1825 WeakPolarHBondContact O-CG 3.38Å; A1821-Q1825 PolarHBondContact O-N 3.19Å |
| 1822 | K | 63.6 | Low | 61.7 | Low | 115 Ų | 115 | 104.1 Ų | 104.1 | 50% | 0.5 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -90.1 | -26 | 177 | -149 | 178.4 | -172.3 | -175.2 | 0 | 113.6 | A1818 L1819 E1820 L1826 | A1818-K1822 WeakPolarHBondContact O-CB 3.1Å; L1819-K1822 CarbonylContact O-C 3.52Å; L1819-K1822 WeakPolarHBondContact O-CA 3.26Å; L1819-K1822 WeakPolarHBondContact O-CB 3.25Å; L1819-K1822 PolarHBondContact O-N 2.64Å; E1820-K1822 PolarHBondContact O-N 3.03Å; E1820-K1822 VanDerWaalsContact O-N 3.12Å; K1822-L1826 WeakPolarHBondContact O-CB 3.32Å; K1822-L1826 WeakPolarHBondContact O-CD1 3.48Å; K1822-L1826 WeakPolarHBondContact O-CG 3.43Å; K1822-L1826 PolarHBondContact O-N 2.87Å |
| 1823 | I | 62.5 | Low | 62.3 | Low | 106 Ų | 106 | 101.6 Ų | 101.6 | 54% | 0.544 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -76.6 | -43.8 | 166.6 | -66.4 | 173.7 | 0 | 0 | 0 | 108.9 | L1819 E1820 Q1825 L1826 E1827 | L1819-I1823 PolarHBondContact O-N 3.39Å; E1820-I1823 PolarHBondContact O-N 2.96Å; I1823-Q1825 VanDerWaalsContact C-N 3.32Å; I1823-Q1825 PolarHBondContact O-N 3.02Å; I1823-L1826 CarbonylContact O-C 3.59Å; I1823-L1826 WeakPolarHBondContact O-CA 3.42Å; I1823-L1826 PolarHBondContact O-N 2.77Å; I1823-E1827 PolarHBondContact O-N 2.79Å |
| 1824 | A | 70.1 | Confident | 63.1 | Low | 54 Ų | 54 | 94.6 Ų | 94.6 | 45% | 0.446 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -58.6 | -42.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | E1820 L1826 E1828 | E1820-A1824 PolarHBondContact O-N 2.97Å; A1824-L1826 VanDerWaalsContact C-N 3.32Å; A1824-L1826 PolarHBondContact O-N 2.67Å; A1824-E1828 WeakPolarHBondContact O-CA 3.41Å; A1824-E1828 WeakPolarHBondContact O-CB 3.47Å; A1824-E1828 PolarHBondContact O-N 3.15Å |
| 1825 | Q | 63.6 | Low | 63.5 | Low | 103 Ų | 103 | 98 Ų | 98 | 48% | 0.481 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -69.3 | -20.4 | 170.2 | -82 | -178.2 | -38.7 | 0 | 0 | 114 | A1821 I1823 Q1829 | A1821-Q1825 WeakPolarHBondContact O-CB 3.45Å; A1821-Q1825 WeakPolarHBondContact O-CG 3.38Å; A1821-Q1825 PolarHBondContact O-N 3.19Å; I1823-Q1825 VanDerWaalsContact C-N 3.32Å; I1823-Q1825 PolarHBondContact O-N 3.02Å; Q1825-Q1829 WeakPolarHBondContact O-CA 3.12Å; Q1825-Q1829 WeakPolarHBondContact O-CB 3.41Å; Q1825-Q1829 WeakPolarHBondContact O-CG 3.12Å; Q1825-Q1829 PolarHBondContact O-N 3.46Å |
| 1826 | L | 68.7 | Low | 64 | Low | 91 Ų | 91 | 99.8 Ų | 99.8 | 48% | 0.476 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -87.2 | -30.9 | 176.8 | -84 | 167.1 | 0 | 0 | 0 | 112 | K1822 I1823 A1824 Q1829 V1830 | K1822-L1826 WeakPolarHBondContact O-CB 3.32Å; K1822-L1826 WeakPolarHBondContact O-CD1 3.48Å; K1822-L1826 WeakPolarHBondContact O-CG 3.43Å; K1822-L1826 PolarHBondContact O-N 2.87Å; I1823-L1826 CarbonylContact O-C 3.59Å; I1823-L1826 WeakPolarHBondContact O-CA 3.42Å; I1823-L1826 PolarHBondContact O-N 2.77Å; A1824-L1826 VanDerWaalsContact C-N 3.32Å; A1824-L1826 PolarHBondContact O-N 2.67Å; L1826-Q1829 CarbonylContact O-C 3.59Å; L1826-Q1829 PolarHBondContact O-N 2.94Å; L1826-V1830 VanDerWaalsContact O-CB 3.27Å; L1826-V1830 WeakPolarHBondContact O-CB 3.48Å; L1826-V1830 VanDerWaalsContact O-CG2 3.23Å; L1826-V1830 WeakPolarHBondContact O-CG2 3.29Å; L1826-V1830 PolarHBondContact O-N 3.37Å |
| 1827 | E | 64.6 | Low | 64.7 | Low | 138 Ų | 138 | 101.5 Ų | 101.5 | 65% | 0.645 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -74.8 | -39.8 | 167 | -67.6 | 179.8 | 151 | 0 | 0 | 110.1 | I1823 Q1829 V1830 E1831 | I1823-E1827 PolarHBondContact O-N 2.79Å; E1827-Q1829 VanDerWaalsContact C-N 3.31Å; E1827-Q1829 PolarHBondContact O-N 3.03Å; E1827-V1830 PolarHBondContact O-N 3.03Å; E1827-E1831 WeakPolarHBondContact O-CB 3.22Å; E1827-E1831 PolarHBondContact O-N 3.45Å |
| 1828 | E | 66.9 | Low | 65 | Low | 116 Ų | 116 | 104.2 Ų | 104.2 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.4 | -25.8 | 168.6 | -168.1 | 176.2 | -157.6 | 0 | 0 | 111.9 | A1824 Q1832 | A1824-E1828 WeakPolarHBondContact O-CA 3.41Å; A1824-E1828 WeakPolarHBondContact O-CB 3.47Å; A1824-E1828 PolarHBondContact O-N 3.15Å; E1828-Q1832 VanDerWaalsContact O-CA 3.31Å; E1828-Q1832 WeakPolarHBondContact O-CA 3.48Å; E1828-Q1832 WeakPolarHBondContact O-CB 3.48Å; E1828-Q1832 VanDerWaalsContact O-CG 3.27Å; E1828-Q1832 WeakPolarHBondContact O-CG 3.24Å; E1828-Q1832 PolarHBondContact O-N 3.46Å |
| 1829 | Q | 64.4 | Low | 65.2 | Low | 97 Ų | 97 | 103.7 Ų | 103.7 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -87 | -15.5 | 170.5 | -80.1 | 170.9 | -13.9 | 0 | 0 | 114.3 | Q1825 L1826 E1827 Q1832 E1833 | Q1825-Q1829 WeakPolarHBondContact O-CA 3.12Å; Q1825-Q1829 WeakPolarHBondContact O-CB 3.41Å; Q1825-Q1829 WeakPolarHBondContact O-CG 3.12Å; Q1825-Q1829 PolarHBondContact O-N 3.46Å; L1826-Q1829 CarbonylContact O-C 3.59Å; L1826-Q1829 PolarHBondContact O-N 2.94Å; E1827-Q1829 VanDerWaalsContact C-N 3.31Å; E1827-Q1829 PolarHBondContact O-N 3.03Å; Q1829-Q1832 CarbonylContact O-C 3.5Å; Q1829-E1833 WeakPolarHBondContact O-CA 3.35Å; Q1829-E1833 WeakPolarHBondContact O-CB 3.37Å; Q1829-E1833 WeakPolarHBondContact O-CG 3.43Å; Q1829-E1833 PolarHBondContact O-N 3.32Å |
| 1830 | V | 64.8 | Low | 65.9 | Low | 88 Ų | 88 | 101.2 Ų | 101.2 | 53% | 0.533 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -93.8 | -28.4 | 170.1 | 168.4 | 0 | 0 | 0 | 0 | 110.1 | L1826 E1827 A1834 | L1826-V1830 VanDerWaalsContact O-CB 3.27Å; L1826-V1830 WeakPolarHBondContact O-CB 3.48Å; L1826-V1830 VanDerWaalsContact O-CG2 3.23Å; L1826-V1830 WeakPolarHBondContact O-CG2 3.29Å; L1826-V1830 PolarHBondContact O-N 3.37Å; E1827-V1830 PolarHBondContact O-N 3.03Å; V1830-A1834 WeakPolarHBondContact O-CB 3.27Å; V1830-A1834 PolarHBondContact O-N 2.96Å |
| 1831 | E | 69.8 | Low | 66.3 | Low | 99 Ų | 99 | 98.1 Ų | 98.1 | 46% | 0.463 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -77.1 | -28.3 | 160.7 | -137.9 | -156.6 | 156.9 | 0 | 0 | 111.6 | E1827 R1835 | E1827-E1831 WeakPolarHBondContact O-CB 3.22Å; E1827-E1831 PolarHBondContact O-N 3.45Å; E1831-R1835 VanDerWaalsContact CD-CZ 3.43Å; E1831-R1835 WeakPolarHBondContact O-CA 3.11Å; E1831-R1835 WeakPolarHBondContact O-CB 3.22Å; E1831-R1835 WeakPolarHBondContact O-CD 3.36Å; E1831-R1835 WeakPolarHBondContact O-CG 3.44Å; E1831-R1835 PolarHBondContact O-N 3.44Å; E1831-R1835 IonicContact OE1-CZ 3.22Å; E1831-R1835 IonicContact OE1-NE 3.91Å; E1831-R1835 PolarHBondContact OE1-NE 2.86Å; E1831-R1835 IonicContact OE1-NH2 3.71Å; E1831-R1835 PolarHBondContact OE1-NH2 3.38Å; E1831-R1835 IonicContact OE2-CZ 3.98Å; E1831-R1835 IonicContact OE2-NE 3.06Å; E1831-R1835 IonicContact OE2-NH2 3.8Å; E1831-R1835 PolarHBondContact OE2-NH2 2.97Å |
| 1832 | Q | 64 | Low | 66.5 | Low | 88 Ų | 88 | 101.5 Ų | 101.5 | 41% | 0.411 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76 | -30.3 | 163.3 | -83 | 167.5 | -15 | 0 | 0 | 111.9 | E1828 Q1829 R1835 E1836 | E1828-Q1832 VanDerWaalsContact O-CA 3.31Å; E1828-Q1832 WeakPolarHBondContact O-CA 3.48Å; E1828-Q1832 WeakPolarHBondContact O-CB 3.48Å; E1828-Q1832 VanDerWaalsContact O-CG 3.27Å; E1828-Q1832 WeakPolarHBondContact O-CG 3.24Å; E1828-Q1832 PolarHBondContact O-N 3.46Å; Q1829-Q1832 CarbonylContact O-C 3.5Å; Q1832-R1835 CarbonylContact O-C 3.54Å; Q1832-R1835 PolarHBondContact O-N 2.82Å; Q1832-E1836 WeakPolarHBondContact O-CA 3.42Å; Q1832-E1836 WeakPolarHBondContact O-CB 3.46Å; Q1832-E1836 WeakPolarHBondContact O-CG 3.46Å; Q1832-E1836 PolarHBondContact O-N 3Å |
| 1833 | E | 65.6 | Low | 66.6 | Low | 133 Ų | 133 | 97.7 Ų | 97.7 | 62% | 0.621 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -73.1 | -31.1 | 168.2 | -89.4 | -157.8 | 129.4 | 0 | 0 | 110.5 | Q1829 E1836 K1837 | Q1829-E1833 WeakPolarHBondContact O-CA 3.35Å; Q1829-E1833 WeakPolarHBondContact O-CB 3.37Å; Q1829-E1833 WeakPolarHBondContact O-CG 3.43Å; Q1829-E1833 PolarHBondContact O-N 3.32Å; E1833-E1836 CarbonylContact O-C 3.6Å; E1833-K1837 WeakPolarHBondContact O-CA 3.49Å; E1833-K1837 WeakPolarHBondContact O-CB 3.39Å; E1833-K1837 PolarHBondContact O-N 3.19Å |
| 1834 | A | 66.3 | Low | 66.8 | Low | 53 Ų | 53 | 97.6 Ų | 97.6 | 44% | 0.438 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.9 | -35.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | V1830 Q1838 | V1830-A1834 WeakPolarHBondContact O-CB 3.27Å; V1830-A1834 PolarHBondContact O-N 2.96Å; A1834-Q1838 WeakPolarHBondContact O-CA 3.47Å; A1834-Q1838 WeakPolarHBondContact O-CB 3.14Å; A1834-Q1838 WeakPolarHBondContact O-CG 3.45Å; A1834-Q1838 PolarHBondContact O-N 3.37Å |
| 1835 | R | 68.2 | Low | 66.8 | Low | 149 Ų | 149 | 102 Ų | 102 | 56% | 0.562 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -83.9 | -17.4 | 174.4 | -67.6 | 168.4 | -177 | -170.4 | 7.2 | 113.2 | E1831 Q1832 A1839 | E1831-R1835 VanDerWaalsContact CD-CZ 3.43Å; E1831-R1835 WeakPolarHBondContact O-CA 3.11Å; E1831-R1835 WeakPolarHBondContact O-CB 3.22Å; E1831-R1835 WeakPolarHBondContact O-CD 3.36Å; E1831-R1835 WeakPolarHBondContact O-CG 3.44Å; E1831-R1835 PolarHBondContact O-N 3.44Å; E1831-R1835 IonicContact OE1-CZ 3.22Å; E1831-R1835 IonicContact OE1-NE 3.91Å; E1831-R1835 PolarHBondContact OE1-NE 2.86Å; E1831-R1835 IonicContact OE1-NH2 3.71Å; E1831-R1835 PolarHBondContact OE1-NH2 3.38Å; E1831-R1835 IonicContact OE2-CZ 3.98Å; E1831-R1835 IonicContact OE2-NE 3.06Å; E1831-R1835 IonicContact OE2-NH2 3.8Å; E1831-R1835 PolarHBondContact OE2-NH2 2.97Å; Q1832-R1835 CarbonylContact O-C 3.54Å; Q1832-R1835 PolarHBondContact O-N 2.82Å; R1835-A1839 WeakPolarHBondContact O-CA 3.42Å; R1835-A1839 WeakPolarHBondContact O-CB 3.21Å; R1835-A1839 PolarHBondContact O-N 3.21Å |
| 1836 | E | 64.4 | Low | 66.8 | Low | 125 Ų | 125 | 101.4 Ų | 101.4 | 58% | 0.584 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -100.3 | -9 | 170.9 | -69.7 | -176.7 | 166.2 | 0 | 0 | 110.8 | Q1832 E1833 A1839 A1840 | Q1832-E1836 WeakPolarHBondContact O-CA 3.42Å; Q1832-E1836 WeakPolarHBondContact O-CB 3.46Å; Q1832-E1836 WeakPolarHBondContact O-CG 3.46Å; Q1832-E1836 PolarHBondContact O-N 3Å; E1833-E1836 CarbonylContact O-C 3.6Å; E1836-A1839 CarbonylContact O-C 3.58Å; E1836-A1840 VanDerWaalsContact C-N 3.33Å; E1836-A1840 VanDerWaalsContact O-CA 3.24Å; E1836-A1840 WeakPolarHBondContact O-CA 3.49Å; E1836-A1840 WeakPolarHBondContact O-CB 3.38Å; E1836-A1840 PolarHBondContact O-N 3.29Å |
| 1837 | K | 67.9 | Low | 66.8 | Low | 158 Ų | 158 | 103.6 Ų | 103.6 | 69% | 0.687 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -96 | -31.3 | 161.9 | -164.2 | 170.1 | -170.9 | 170.1 | 0 | 110 | E1833 T1841 | E1833-K1837 WeakPolarHBondContact O-CA 3.49Å; E1833-K1837 WeakPolarHBondContact O-CB 3.39Å; E1833-K1837 PolarHBondContact O-N 3.19Å; K1837-T1841 WeakPolarHBondContact O-CA 3.2Å; K1837-T1841 WeakPolarHBondContact O-CB 3.34Å; K1837-T1841 PolarHBondContact O-N 3.35Å; K1837-T1841 PolarHBondContact O-OG1 3.14Å |
| 1838 | Q | 70.8 | Confident | 66.9 | Low | 122 Ų | 122 | 100.8 Ų | 100.8 | 57% | 0.57 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -70.6 | -29.4 | 156.6 | -79 | -154.7 | 12.8 | 0 | 0 | 112.4 | A1834 K1842 | A1834-Q1838 WeakPolarHBondContact O-CA 3.47Å; A1834-Q1838 WeakPolarHBondContact O-CB 3.14Å; A1834-Q1838 WeakPolarHBondContact O-CG 3.45Å; A1834-Q1838 PolarHBondContact O-N 3.37Å; Q1838-K1842 WeakPolarHBondContact O-CA 3.45Å; Q1838-K1842 WeakPolarHBondContact O-CB 3.47Å; Q1838-K1842 WeakPolarHBondContact O-CG 3.26Å; Q1838-K1842 PolarHBondContact O-N 3.48Å |
| 1839 | A | 66.4 | Low | 67.1 | Low | 48 Ų | 48 | 100.3 Ų | 100.3 | 40% | 0.397 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -99.3 | -0.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 114.6 | R1835 E1836 S1843 | R1835-A1839 WeakPolarHBondContact O-CA 3.42Å; R1835-A1839 WeakPolarHBondContact O-CB 3.21Å; R1835-A1839 PolarHBondContact O-N 3.21Å; E1836-A1839 CarbonylContact O-C 3.58Å; A1839-S1843 WeakPolarHBondContact O-CA 3.42Å; A1839-S1843 WeakPolarHBondContact O-CB 3.44Å; A1839-S1843 PolarHBondContact O-N 3.24Å |
| 1840 | A | 68.6 | Low | 67.2 | Low | 51 Ų | 51 | 101.3 Ų | 101.3 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -101.8 | -4.1 | 155.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | E1836 L1844 | E1836-A1840 VanDerWaalsContact C-N 3.33Å; E1836-A1840 VanDerWaalsContact O-CA 3.24Å; E1836-A1840 WeakPolarHBondContact O-CA 3.49Å; E1836-A1840 WeakPolarHBondContact O-CB 3.38Å; E1836-A1840 PolarHBondContact O-N 3.29Å; A1840-L1844 VanDerWaalsContact C-N 3.32Å; A1840-L1844 WeakPolarHBondContact O-CA 3.11Å; A1840-L1844 WeakPolarHBondContact O-CB 3.44Å; A1840-L1844 WeakPolarHBondContact O-CD1 3.4Å; A1840-L1844 PolarHBondContact O-N 3.4Å |
| 1841 | T | 67.7 | Low | 67.3 | Low | 74 Ų | 74 | 101.7 Ų | 101.7 | 45% | 0.454 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -96.4 | -27.5 | 159 | -54.3 | 0 | 0 | 0 | 0 | 111.4 | K1837 K1845 | K1837-T1841 WeakPolarHBondContact O-CA 3.2Å; K1837-T1841 WeakPolarHBondContact O-CB 3.34Å; K1837-T1841 PolarHBondContact O-N 3.35Å; K1837-T1841 PolarHBondContact O-OG1 3.14Å; T1841-K1845 WeakPolarHBondContact O-CB 3.47Å; T1841-K1845 WeakPolarHBondContact O-CG 3.44Å; T1841-K1845 PolarHBondContact O-N 3.44Å |
| 1842 | K | 68.2 | Low | 67.4 | Low | 123 Ų | 123 | 103.1 Ų | 103.1 | 54% | 0.535 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -83.2 | -23.4 | 162.5 | -69.3 | 166.7 | 178.2 | 169.2 | 0 | 111.4 | Q1838 K1845 Q1846 | Q1838-K1842 WeakPolarHBondContact O-CA 3.45Å; Q1838-K1842 WeakPolarHBondContact O-CB 3.47Å; Q1838-K1842 WeakPolarHBondContact O-CG 3.26Å; Q1838-K1842 PolarHBondContact O-N 3.48Å; K1842-K1845 CarbonylContact O-C 3.47Å; K1842-Q1846 WeakPolarHBondContact O-CA 3.34Å; K1842-Q1846 WeakPolarHBondContact O-CB 3.45Å; K1842-Q1846 WeakPolarHBondContact O-CG 3.48Å; K1842-Q1846 PolarHBondContact O-N 2.88Å |
| 1843 | S | 64.8 | Low | 67.7 | Low | 36 Ų | 36 | 102.6 Ų | 102.6 | 25% | 0.252 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -90.3 | -14.1 | 161.6 | -163 | 0 | 0 | 0 | 0 | 113.1 | A1839 K1847 | A1839-S1843 WeakPolarHBondContact O-CA 3.42Å; A1839-S1843 WeakPolarHBondContact O-CB 3.44Å; A1839-S1843 PolarHBondContact O-N 3.24Å; S1843-K1847 WeakPolarHBondContact O-CA 3.28Å; S1843-K1847 WeakPolarHBondContact O-CB 3.46Å; S1843-K1847 WeakPolarHBondContact O-CG 3.44Å; S1843-K1847 PolarHBondContact O-N 3.1Å |
| 1844 | L | 66.7 | Low | 67.9 | Low | 103 Ų | 103 | 100.5 Ų | 100.5 | 54% | 0.539 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.9 | -46.1 | 153.3 | -117.8 | 72.5 | 0 | 0 | 0 | 108.8 | A1840 Q1846 K1847 D1848 | A1840-L1844 VanDerWaalsContact C-N 3.32Å; A1840-L1844 WeakPolarHBondContact O-CA 3.11Å; A1840-L1844 WeakPolarHBondContact O-CB 3.44Å; A1840-L1844 WeakPolarHBondContact O-CD1 3.4Å; A1840-L1844 PolarHBondContact O-N 3.4Å; L1844-Q1846 VanDerWaalsContact C-N 3.32Å; L1844-Q1846 PolarHBondContact O-N 2.9Å; L1844-K1847 CarbonylContact O-C 3.5Å; L1844-K1847 PolarHBondContact O-N 3Å; L1844-K1847 VanDerWaalsContact O-N 3.17Å; L1844-D1848 WeakPolarHBondContact O-CA 3.44Å; L1844-D1848 WeakPolarHBondContact O-CB 3.17Å; L1844-D1848 PolarHBondContact O-N 3.22Å |
| 1845 | K | 70.6 | Confident | 68.1 | Low | 148 Ų | 148 | 102.4 Ų | 102.4 | 64% | 0.643 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.6 | -22.1 | 176.6 | -72.8 | 177.1 | 178.1 | -175.4 | 0 | 114.2 | T1841 K1842 K1849 | T1841-K1845 WeakPolarHBondContact O-CB 3.47Å; T1841-K1845 WeakPolarHBondContact O-CG 3.44Å; T1841-K1845 PolarHBondContact O-N 3.44Å; K1842-K1845 CarbonylContact O-C 3.47Å; K1845-K1849 WeakPolarHBondContact O-CA 3.13Å; K1845-K1849 WeakPolarHBondContact O-CB 3.3Å; K1845-K1849 PolarHBondContact O-N 3.29Å |
| 1846 | Q | 64.2 | Low | 68.3 | Low | 89 Ų | 89 | 100 Ų | 100 | 42% | 0.416 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -93.3 | -16.9 | 168.7 | -77.3 | 177.4 | -43.8 | 0 | 0 | 112.4 | K1842 L1844 K1850 | K1842-Q1846 WeakPolarHBondContact O-CA 3.34Å; K1842-Q1846 WeakPolarHBondContact O-CB 3.45Å; K1842-Q1846 WeakPolarHBondContact O-CG 3.48Å; K1842-Q1846 PolarHBondContact O-N 2.88Å; L1844-Q1846 VanDerWaalsContact C-N 3.32Å; L1844-Q1846 PolarHBondContact O-N 2.9Å; Q1846-K1850 WeakPolarHBondContact O-CA 3.36Å; Q1846-K1850 WeakPolarHBondContact O-CB 3.46Å; Q1846-K1850 VanDerWaalsContact O-CG 3.22Å; Q1846-K1850 WeakPolarHBondContact O-CG 3.24Å; Q1846-K1850 PolarHBondContact O-N 3.37Å |
| 1847 | K | 67.9 | Low | 68.5 | Low | 137 Ų | 137 | 99.2 Ų | 99.2 | 60% | 0.596 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -91.8 | -10 | 165.2 | -70.5 | 178.5 | 177.9 | -174.9 | 0 | 113 | S1843 L1844 K1850 L1851 | S1843-K1847 WeakPolarHBondContact O-CA 3.28Å; S1843-K1847 WeakPolarHBondContact O-CB 3.46Å; S1843-K1847 WeakPolarHBondContact O-CG 3.44Å; S1843-K1847 PolarHBondContact O-N 3.1Å; L1844-K1847 CarbonylContact O-C 3.5Å; L1844-K1847 PolarHBondContact O-N 3Å; L1844-K1847 VanDerWaalsContact O-N 3.17Å; K1847-K1850 CarbonylContact O-C 3.56Å; K1847-L1851 VanDerWaalsContact C-N 3.27Å; K1847-L1851 VanDerWaalsContact O-CA 3.28Å; K1847-L1851 WeakPolarHBondContact O-CA 3.29Å; K1847-L1851 WeakPolarHBondContact O-CB 3.49Å; K1847-L1851 PolarHBondContact O-N 2.77Å |
| 1848 | D | 66.5 | Low | 68.5 | Low | 80 Ų | 80 | 95 Ų | 95 | 43% | 0.428 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -95.9 | -33 | 166.2 | -82.3 | -16.8 | 0 | 0 | 0 | 109.5 | L1844 L1851 K1852 | L1844-D1848 WeakPolarHBondContact O-CA 3.44Å; L1844-D1848 WeakPolarHBondContact O-CB 3.17Å; L1844-D1848 PolarHBondContact O-N 3.22Å; D1848-L1851 VanDerWaalsContact C-N 3.34Å; D1848-L1851 CarbonylContact O-C 3.59Å; D1848-L1851 PolarHBondContact O-N 3.42Å; D1848-K1852 WeakPolarHBondContact O-CA 3.41Å; D1848-K1852 WeakPolarHBondContact O-CB 3.24Å; D1848-K1852 WeakPolarHBondContact O-CG 3.37Å; D1848-K1852 PolarHBondContact O-N 3.19Å |
| 1849 | K | 71.6 | Confident | 68.4 | Low | 106 Ų | 106 | 92.6 Ų | 92.6 | 46% | 0.461 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -76.6 | -32.8 | 164.7 | -169.3 | 170 | -176.4 | -84.4 | 0 | 110.4 | K1845 K1852 E1853 | K1845-K1849 WeakPolarHBondContact O-CA 3.13Å; K1845-K1849 WeakPolarHBondContact O-CB 3.3Å; K1845-K1849 PolarHBondContact O-N 3.29Å; K1849-K1852 CarbonylContact O-C 3.59Å; K1849-K1852 PolarHBondContact O-N 3.38Å; K1849-E1853 WeakPolarHBondContact CE-OE1 3.22Å; K1849-E1853 HydrophobicContact CG-CG 4.33Å; K1849-E1853 IonicContact NZ-OE1 3.76Å; K1849-E1853 PolarHBondContact NZ-OE1 2.67Å; K1849-E1853 WeakPolarHBondContact O-CA 3.44Å; K1849-E1853 WeakPolarHBondContact O-CB 3.29Å; K1849-E1853 WeakPolarHBondContact O-CG 3.4Å; K1849-E1853 PolarHBondContact O-N 3.21Å |
| 1850 | K | 66.6 | Low | 68.6 | Low | 117 Ų | 117 | 93.4 Ų | 93.4 | 51% | 0.509 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -78.6 | -13 | 157.6 | -68.8 | -173.4 | 173.8 | -175 | 0 | 113.9 | Q1846 K1847 I1854 | Q1846-K1850 WeakPolarHBondContact O-CA 3.36Å; Q1846-K1850 WeakPolarHBondContact O-CB 3.46Å; Q1846-K1850 VanDerWaalsContact O-CG 3.22Å; Q1846-K1850 WeakPolarHBondContact O-CG 3.24Å; Q1846-K1850 PolarHBondContact O-N 3.37Å; K1847-K1850 CarbonylContact O-C 3.56Å; K1850-I1854 HydrophobicContact CB-CD1 4.3Å; K1850-I1854 VanDerWaalsContact O-CA 3.32Å; K1850-I1854 WeakPolarHBondContact O-CA 3.28Å; K1850-I1854 WeakPolarHBondContact O-CB 3.21Å; K1850-I1854 WeakPolarHBondContact O-CD1 3.5Å; K1850-I1854 WeakPolarHBondContact O-CG1 3.28Å; K1850-I1854 PolarHBondContact O-N 2.82Å |
| 1851 | L | 66.9 | Low | 68.7 | Low | 97 Ų | 97 | 95.9 Ų | 95.9 | 51% | 0.508 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -81.9 | -23.9 | 164.3 | -141.6 | 77.4 | 0 | 0 | 0 | 109.9 | K1847 D1848 L1855 | K1847-L1851 VanDerWaalsContact C-N 3.27Å; K1847-L1851 VanDerWaalsContact O-CA 3.28Å; K1847-L1851 WeakPolarHBondContact O-CA 3.29Å; K1847-L1851 WeakPolarHBondContact O-CB 3.49Å; K1847-L1851 PolarHBondContact O-N 2.77Å; D1848-L1851 VanDerWaalsContact C-N 3.34Å; D1848-L1851 CarbonylContact O-C 3.59Å; D1848-L1851 PolarHBondContact O-N 3.42Å; L1851-L1855 HydrophobicContact CD2-CD1 4.29Å; L1851-L1855 HydrophobicContact CG-CD1 4.29Å; L1851-L1855 VanDerWaalsContact O-CA 3.29Å; L1851-L1855 WeakPolarHBondContact O-CA 3.5Å; L1851-L1855 WeakPolarHBondContact O-CB 3.28Å; L1851-L1855 VanDerWaalsContact O-CD1 3.28Å; L1851-L1855 WeakPolarHBondContact O-CD1 3.37Å; L1851-L1855 WeakPolarHBondContact O-CG 3.5Å; L1851-L1855 PolarHBondContact O-N 3.49Å |
| 1852 | K | 72.3 | Confident | 68.8 | Low | 128 Ų | 128 | 96 Ų | 96 | 56% | 0.557 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -95.2 | -16.8 | 175.1 | -73.9 | -177.8 | 174.9 | -167.3 | 0 | 113 | D1848 K1849 L1856 | D1848-K1852 WeakPolarHBondContact O-CA 3.41Å; D1848-K1852 WeakPolarHBondContact O-CB 3.24Å; D1848-K1852 WeakPolarHBondContact O-CG 3.37Å; D1848-K1852 PolarHBondContact O-N 3.19Å; K1849-K1852 CarbonylContact O-C 3.59Å; K1849-K1852 PolarHBondContact O-N 3.38Å; K1852-L1856 WeakPolarHBondContact O-CA 3.43Å; K1852-L1856 WeakPolarHBondContact O-CB 3.49Å; K1852-L1856 WeakPolarHBondContact O-CD1 3.46Å; K1852-L1856 PolarHBondContact O-N 3.18Å |
| 1853 | E | 69.3 | Low | 68.9 | Low | 77 Ų | 77 | 95.8 Ų | 95.8 | 36% | 0.36 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -93 | -27.5 | 165.9 | -71.3 | 162 | 173.4 | 0 | 0 | 109.8 | K1849 Q1857 | K1849-E1853 WeakPolarHBondContact CE-OE1 3.22Å; K1849-E1853 HydrophobicContact CG-CG 4.33Å; K1849-E1853 IonicContact NZ-OE1 3.76Å; K1849-E1853 PolarHBondContact NZ-OE1 2.67Å; K1849-E1853 WeakPolarHBondContact O-CA 3.44Å; K1849-E1853 WeakPolarHBondContact O-CB 3.29Å; K1849-E1853 WeakPolarHBondContact O-CG 3.4Å; K1849-E1853 PolarHBondContact O-N 3.21Å; E1853-Q1857 VanDerWaalsContact O-CA 3.3Å; E1853-Q1857 WeakPolarHBondContact O-CA 3.21Å; E1853-Q1857 WeakPolarHBondContact O-CB 3.47Å; E1853-Q1857 PolarHBondContact O-N 2.81Å |
| 1854 | I | 70.2 | Confident | 69.1 | Low | 89 Ų | 89 | 98.7 Ų | 98.7 | 46% | 0.456 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -83.2 | -23.7 | 162.8 | -60.1 | 165.7 | 0 | 0 | 0 | 110.6 | K1850 Q1857 V1858 | K1850-I1854 HydrophobicContact CB-CD1 4.3Å; K1850-I1854 VanDerWaalsContact O-CA 3.32Å; K1850-I1854 WeakPolarHBondContact O-CA 3.28Å; K1850-I1854 WeakPolarHBondContact O-CB 3.21Å; K1850-I1854 WeakPolarHBondContact O-CD1 3.5Å; K1850-I1854 WeakPolarHBondContact O-CG1 3.28Å; K1850-I1854 PolarHBondContact O-N 2.82Å; I1854-Q1857 CarbonylContact O-C 3.48Å; I1854-V1858 HydrophobicContact CG2-CG2 3.77Å; I1854-V1858 WeakPolarHBondContact O-CA 3.4Å; I1854-V1858 WeakPolarHBondContact O-CB 3.44Å; I1854-V1858 WeakPolarHBondContact O-CG2 3.23Å; I1854-V1858 PolarHBondContact O-N 3.32Å |
| 1855 | L | 69.7 | Low | 69.3 | Low | 93 Ų | 93 | 96.3 Ų | 96.3 | 49% | 0.487 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -79.7 | -32.6 | 163.4 | -73.9 | 163.9 | 0 | 0 | 0 | 111.4 | L1851 Q1857 E1859 | L1851-L1855 HydrophobicContact CD2-CD1 4.29Å; L1851-L1855 HydrophobicContact CG-CD1 4.29Å; L1851-L1855 VanDerWaalsContact O-CA 3.29Å; L1851-L1855 WeakPolarHBondContact O-CA 3.5Å; L1851-L1855 WeakPolarHBondContact O-CB 3.28Å; L1851-L1855 VanDerWaalsContact O-CD1 3.28Å; L1851-L1855 WeakPolarHBondContact O-CD1 3.37Å; L1851-L1855 WeakPolarHBondContact O-CG 3.5Å; L1851-L1855 PolarHBondContact O-N 3.49Å; L1855-Q1857 VanDerWaalsContact C-N 3.34Å; L1855-E1859 VanDerWaalsContact O-CA 3.3Å; L1855-E1859 WeakPolarHBondContact O-CA 3.13Å; L1855-E1859 WeakPolarHBondContact O-CB 3.48Å; L1855-E1859 PolarHBondContact O-N 3.29Å |
| 1856 | L | 72.8 | Confident | 69.2 | Low | 100 Ų | 100 | 93.5 Ų | 93.5 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -71.9 | -29.6 | 165.6 | -101.6 | 77.2 | 0 | 0 | 0 | 111.5 | K1852 D1860 | K1852-L1856 WeakPolarHBondContact O-CA 3.43Å; K1852-L1856 WeakPolarHBondContact O-CB 3.49Å; K1852-L1856 WeakPolarHBondContact O-CD1 3.46Å; K1852-L1856 PolarHBondContact O-N 3.18Å; L1856-D1860 WeakPolarHBondContact O-CA 3.42Å; L1856-D1860 WeakPolarHBondContact O-CB 3.48Å; L1856-D1860 PolarHBondContact O-N 2.89Å |
| 1857 | Q | 67.9 | Low | 69.5 | Low | 107 Ų | 107 | 94.5 Ų | 94.5 | 50% | 0.5 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -87.4 | -12.9 | 176.3 | -173.7 | 179.8 | -8.7 | 0 | 0 | 111.8 | E1853 I1854 L1855 E1861 | E1853-Q1857 VanDerWaalsContact O-CA 3.3Å; E1853-Q1857 WeakPolarHBondContact O-CA 3.21Å; E1853-Q1857 WeakPolarHBondContact O-CB 3.47Å; E1853-Q1857 PolarHBondContact O-N 2.81Å; I1854-Q1857 CarbonylContact O-C 3.48Å; L1855-Q1857 VanDerWaalsContact C-N 3.34Å; Q1857-E1861 HydrophobicContact CG-CG 4.22Å; Q1857-E1861 WeakPolarHBondContact CG-OE1 3.23Å; Q1857-E1861 PolarHBondContact NE2-OE1 2.83Å; Q1857-E1861 VanDerWaalsContact O-CA 3.24Å; Q1857-E1861 WeakPolarHBondContact O-CA 3.13Å; Q1857-E1861 WeakPolarHBondContact O-CB 3.29Å; Q1857-E1861 WeakPolarHBondContact O-CG 3.43Å; Q1857-E1861 PolarHBondContact O-N 3.24Å |
| 1858 | V | 69.5 | Low | 69.6 | Low | 69 Ų | 69 | 95.1 Ų | 95.1 | 42% | 0.418 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -99.4 | -17.3 | 166 | 173.4 | 0 | 0 | 0 | 0 | 110.9 | I1854 R1862 | I1854-V1858 HydrophobicContact CG2-CG2 3.77Å; I1854-V1858 WeakPolarHBondContact O-CA 3.4Å; I1854-V1858 WeakPolarHBondContact O-CB 3.44Å; I1854-V1858 WeakPolarHBondContact O-CG2 3.23Å; I1854-V1858 PolarHBondContact O-N 3.32Å; V1858-R1862 WeakPolarHBondContact O-CA 3.42Å; V1858-R1862 WeakPolarHBondContact O-CB 3.12Å; V1858-R1862 PolarHBondContact O-N 3.36Å |
| 1859 | E | 68.8 | Low | 69.8 | Low | 73 Ų | 73 | 96.2 Ų | 96.2 | 34% | 0.341 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -91 | -19.7 | 166.9 | -155.9 | 164.2 | -146.1 | 0 | 0 | 110.4 | K1638 L1855 R1862 K1863 | K1638-E1859 IonicContact NZ-OE1 2.8Å; K1638-E1859 PolarHBondContact NZ-OE1 3.04Å; L1855-E1859 VanDerWaalsContact O-CA 3.3Å; L1855-E1859 WeakPolarHBondContact O-CA 3.13Å; L1855-E1859 WeakPolarHBondContact O-CB 3.48Å; L1855-E1859 PolarHBondContact O-N 3.29Å; E1859-R1862 CarbonylContact O-C 3.55Å; E1859-K1863 WeakPolarHBondContact O-CB 3.36Å; E1859-K1863 VanDerWaalsContact O-CG 3.22Å; E1859-K1863 WeakPolarHBondContact O-CG 3.45Å; E1859-K1863 PolarHBondContact O-N 3.45Å |
| 1860 | D | 70.8 | Confident | 69.8 | Low | 64 Ų | 64 | 95.7 Ų | 95.7 | 34% | 0.342 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -98.3 | -19.3 | 164.2 | -63.1 | -26.6 | 0 | 0 | 0 | 112.9 | L1856 R1862 K1863 M1864 | L1856-D1860 WeakPolarHBondContact O-CA 3.42Å; L1856-D1860 WeakPolarHBondContact O-CB 3.48Å; L1856-D1860 PolarHBondContact O-N 2.89Å; D1860-R1862 VanDerWaalsContact C-N 3.34Å; D1860-K1863 WeakPolarHBondContact OD1-CD 3.16Å; D1860-K1863 WeakPolarHBondContact OD1-CE 3.46Å; D1860-K1863 IonicContact OD1-NZ 2.71Å; D1860-K1863 PolarHBondContact OD1-NZ 2.8Å; D1860-M1864 WeakPolarHBondContact O-CA 3.15Å; D1860-M1864 WeakPolarHBondContact O-CB 3.4Å; D1860-M1864 WeakPolarHBondContact O-CG 3.32Å; D1860-M1864 PolarHBondContact O-N 3.22Å |
| 1861 | E | 69.3 | Low | 69.9 | Low | 104 Ų | 104 | 96.2 Ų | 96.2 | 49% | 0.486 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -80.4 | -16 | 154.8 | -73.2 | 165 | -161.3 | 0 | 0 | 110.5 | Q1857 A1865 | Q1857-E1861 HydrophobicContact CG-CG 4.22Å; Q1857-E1861 WeakPolarHBondContact CG-OE1 3.23Å; Q1857-E1861 PolarHBondContact NE2-OE1 2.83Å; Q1857-E1861 VanDerWaalsContact O-CA 3.24Å; Q1857-E1861 WeakPolarHBondContact O-CA 3.13Å; Q1857-E1861 WeakPolarHBondContact O-CB 3.29Å; Q1857-E1861 WeakPolarHBondContact O-CG 3.43Å; Q1857-E1861 PolarHBondContact O-N 3.24Å; E1861-A1865 VanDerWaalsContact O-CA 3.25Å; E1861-A1865 WeakPolarHBondContact O-CA 3.42Å; E1861-A1865 WeakPolarHBondContact O-CB 3.5Å; E1861-A1865 PolarHBondContact O-N 2.87Å |
| 1862 | R | 69.9 | Low | 70.2 | Confident | 76 Ų | 76 | 93.6 Ų | 93.6 | 29% | 0.287 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -89.9 | -22.6 | 165.6 | -179.4 | 176.4 | 171.5 | -175.4 | -2.8 | 112 | D1634 V1858 E1859 D1860 E1866 | D1634-R1862 IonicContact OD2-CZ 2.85Å; D1634-R1862 VanDerWaalsContact OD2-CZ 3.3Å; D1634-R1862 IonicContact OD2-NH1 2.67Å; D1634-R1862 PolarHBondContact OD2-NH1 2.78Å; D1634-R1862 IonicContact OD2-NH2 2.57Å; D1634-R1862 PolarHBondContact OD2-NH2 3.23Å; V1858-R1862 WeakPolarHBondContact O-CA 3.42Å; V1858-R1862 WeakPolarHBondContact O-CB 3.12Å; V1858-R1862 PolarHBondContact O-N 3.36Å; E1859-R1862 CarbonylContact O-C 3.55Å; D1860-R1862 VanDerWaalsContact C-N 3.34Å; R1862-E1866 HydrophobicContact CG-CG 4.47Å; R1862-E1866 WeakPolarHBondContact O-CA 3.01Å; R1862-E1866 WeakPolarHBondContact O-CB 3.39Å; R1862-E1866 WeakPolarHBondContact O-CG 3.25Å; R1862-E1866 PolarHBondContact O-N 2.86Å |
| 1863 | K | 70 | Confident | 70.2 | Confident | 118 Ų | 118 | 92.8 Ų | 92.8 | 51% | 0.513 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -80.1 | -34 | 160.3 | -73.8 | 173.9 | -143.7 | 143.8 | 0 | 112.3 | E1859 D1860 E1866 Q1867 | E1859-K1863 WeakPolarHBondContact O-CB 3.36Å; E1859-K1863 VanDerWaalsContact O-CG 3.22Å; E1859-K1863 WeakPolarHBondContact O-CG 3.45Å; E1859-K1863 PolarHBondContact O-N 3.45Å; D1860-K1863 WeakPolarHBondContact OD1-CD 3.16Å; D1860-K1863 WeakPolarHBondContact OD1-CE 3.46Å; D1860-K1863 IonicContact OD1-NZ 2.71Å; D1860-K1863 PolarHBondContact OD1-NZ 2.8Å; K1863-E1866 CarbonylContact O-C 3.47Å; K1863-Q1867 WeakPolarHBondContact O-CA 3.47Å; K1863-Q1867 WeakPolarHBondContact O-CB 3.19Å; K1863-Q1867 VanDerWaalsContact O-CG 3.24Å; K1863-Q1867 WeakPolarHBondContact O-CG 3.33Å; K1863-Q1867 PolarHBondContact O-N 3.4Å |
| 1864 | M | 69 | Low | 70.3 | Confident | 98 Ų | 98 | 94.8 Ų | 94.8 | 48% | 0.483 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -78 | -24.8 | 171.8 | -72.2 | -82.9 | -75.2 | 0 | 0 | 111.1 | D1860 Y1868 | D1860-M1864 WeakPolarHBondContact O-CA 3.15Å; D1860-M1864 WeakPolarHBondContact O-CB 3.4Å; D1860-M1864 WeakPolarHBondContact O-CG 3.32Å; D1860-M1864 PolarHBondContact O-N 3.22Å; M1864-Y1868 HydrophobicContact CE-CE2 4.23Å; M1864-Y1868 WeakPolarHBondContact O-CA 3.49Å; M1864-Y1868 WeakPolarHBondContact O-CB 3.35Å; M1864-Y1868 WeakPolarHBondContact O-CD2 3.45Å; M1864-Y1868 PolarHBondContact O-N 3.48Å |
| 1865 | A | 71.7 | Confident | 70.3 | Confident | 53 Ų | 53 | 91.7 Ų | 91.7 | 44% | 0.438 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -91 | -16.9 | 167.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | E1861 K1869 | E1861-A1865 VanDerWaalsContact O-CA 3.25Å; E1861-A1865 WeakPolarHBondContact O-CA 3.42Å; E1861-A1865 WeakPolarHBondContact O-CB 3.5Å; E1861-A1865 PolarHBondContact O-N 2.87Å; A1865-K1869 WeakPolarHBondContact O-CA 3.31Å; A1865-K1869 WeakPolarHBondContact O-CB 3.11Å; A1865-K1869 PolarHBondContact O-N 3.07Å |
| 1866 | E | 69.4 | Low | 70.4 | Confident | 88 Ų | 88 | 91.7 Ų | 91.7 | 41% | 0.411 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -83.1 | -23.4 | 161.1 | -71.7 | -174.6 | 150 | 0 | 0 | 111.2 | K1627 R1862 K1863 E1870 | K1627-E1866 IonicContact NZ-OE1 2.71Å; K1627-E1866 PolarHBondContact NZ-OE1 2.65Å; R1862-E1866 HydrophobicContact CG-CG 4.47Å; R1862-E1866 WeakPolarHBondContact O-CA 3.01Å; R1862-E1866 WeakPolarHBondContact O-CB 3.39Å; R1862-E1866 WeakPolarHBondContact O-CG 3.25Å; R1862-E1866 PolarHBondContact O-N 2.86Å; K1863-E1866 CarbonylContact O-C 3.47Å; E1866-E1870 WeakPolarHBondContact O-CA 3.08Å; E1866-E1870 WeakPolarHBondContact O-CB 3.23Å; E1866-E1870 PolarHBondContact O-N 3.16Å |
| 1867 | Q | 70.1 | Confident | 70.2 | Confident | 110 Ų | 110 | 89.4 Ų | 89.4 | 51% | 0.514 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -83.6 | -31.1 | 165.6 | -78 | -172.3 | -8.2 | 0 | 0 | 112.8 | K1863 E1870 Q1871 | K1863-Q1867 WeakPolarHBondContact O-CA 3.47Å; K1863-Q1867 WeakPolarHBondContact O-CB 3.19Å; K1863-Q1867 VanDerWaalsContact O-CG 3.24Å; K1863-Q1867 WeakPolarHBondContact O-CG 3.33Å; K1863-Q1867 PolarHBondContact O-N 3.4Å; Q1867-E1870 CarbonylContact O-C 3.46Å; Q1867-Q1871 WeakPolarHBondContact O-CA 3.14Å; Q1867-Q1871 WeakPolarHBondContact O-CB 3.41Å; Q1867-Q1871 VanDerWaalsContact O-CG 3.24Å; Q1867-Q1871 WeakPolarHBondContact O-CG 3.4Å; Q1867-Q1871 PolarHBondContact O-N 3.37Å |
| 1868 | Y | 68.5 | Low | 70.3 | Confident | 151 Ų | 151 | 93 Ų | 93 | 59% | 0.592 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -77 | -28.6 | 166.8 | -91.2 | -64.5 | 0 | 0 | 0 | 110.3 | M1864 A1872 | M1864-Y1868 HydrophobicContact CE-CE2 4.23Å; M1864-Y1868 WeakPolarHBondContact O-CA 3.49Å; M1864-Y1868 WeakPolarHBondContact O-CB 3.35Å; M1864-Y1868 WeakPolarHBondContact O-CD2 3.45Å; M1864-Y1868 PolarHBondContact O-N 3.48Å; Y1868-A1872 WeakPolarHBondContact O-CA 3.28Å; Y1868-A1872 WeakPolarHBondContact O-CB 3.29Å; Y1868-A1872 PolarHBondContact O-N 3.42Å |
| 1869 | K | 71.7 | Confident | 70.4 | Confident | 102 Ų | 102 | 93.2 Ų | 93.2 | 44% | 0.443 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -74.2 | -33.4 | 166.6 | -178.3 | 174.5 | 177.2 | 174.8 | 0 | 111 | A1865 A1872 E1873 | A1865-K1869 WeakPolarHBondContact O-CA 3.31Å; A1865-K1869 WeakPolarHBondContact O-CB 3.11Å; A1865-K1869 PolarHBondContact O-N 3.07Å; K1869-A1872 CarbonylContact O-C 3.52Å; K1869-A1872 PolarHBondContact O-N 2.84Å; K1869-E1873 WeakPolarHBondContact CE-OE1 3.33Å; K1869-E1873 HydrophobicContact CG-CG 4.06Å; K1869-E1873 WeakPolarHBondContact CG-OE1 3.46Å; K1869-E1873 IonicContact NZ-OE1 3.84Å; K1869-E1873 WeakPolarHBondContact O-CA 3.32Å; K1869-E1873 WeakPolarHBondContact O-CB 3.44Å; K1869-E1873 WeakPolarHBondContact O-CG 3.47Å; K1869-E1873 PolarHBondContact O-N 2.78Å |
| 1870 | E | 71.4 | Confident | 70.5 | Confident | 95 Ų | 95 | 96.9 Ų | 96.9 | 44% | 0.444 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -76.9 | -32 | 172.8 | -158.1 | -159.3 | -169.5 | 0 | 0 | 111.3 | E1866 Q1867 E1873 K1874 | E1866-E1870 WeakPolarHBondContact O-CA 3.08Å; E1866-E1870 WeakPolarHBondContact O-CB 3.23Å; E1866-E1870 PolarHBondContact O-N 3.16Å; Q1867-E1870 CarbonylContact O-C 3.46Å; E1870-E1873 PolarHBondContact O-N 3.33Å; E1870-K1874 VanDerWaalsContact CD-CE 3.42Å; E1870-K1874 HydrophobicContact CG-CD 4.15Å; E1870-K1874 HydrophobicContact CG-CG 4.5Å; E1870-K1874 WeakPolarHBondContact O-CA 3.47Å; E1870-K1874 WeakPolarHBondContact O-CB 3.33Å; E1870-K1874 WeakPolarHBondContact O-CD 3.49Å; E1870-K1874 WeakPolarHBondContact O-CG 3.34Å; E1870-K1874 PolarHBondContact O-N 3.42Å; E1870-K1874 WeakPolarHBondContact OE1-CE 3.3Å; E1870-K1874 IonicContact OE1-NZ 2.59Å; E1870-K1874 PolarHBondContact OE1-NZ 2.9Å; E1870-K1874 IonicContact OE2-NZ 2.61Å; E1870-K1874 PolarHBondContact OE2-NZ 2.91Å |
| 1871 | Q | 69.6 | Low | 70.6 | Confident | 129 Ų | 129 | 99.3 Ų | 99.3 | 60% | 0.603 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -77.4 | -20.6 | 169.3 | -77 | -170.2 | 4.1 | 0 | 0 | 112.6 | Q1867 G1875 | Q1867-Q1871 WeakPolarHBondContact O-CA 3.14Å; Q1867-Q1871 WeakPolarHBondContact O-CB 3.41Å; Q1867-Q1871 VanDerWaalsContact O-CG 3.24Å; Q1867-Q1871 WeakPolarHBondContact O-CG 3.4Å; Q1867-Q1871 PolarHBondContact O-N 3.37Å; Q1871-G1875 WeakPolarHBondContact O-CA 3.39Å; Q1871-G1875 PolarHBondContact O-N 2.87Å |
| 1872 | A | 71.5 | Confident | 70.7 | Confident | 41 Ų | 41 | 99.2 Ų | 99.2 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -100.4 | 0.4 | 169.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y1868 K1869 N1876 | Y1868-A1872 WeakPolarHBondContact O-CA 3.28Å; Y1868-A1872 WeakPolarHBondContact O-CB 3.29Å; Y1868-A1872 PolarHBondContact O-N 3.42Å; K1869-A1872 CarbonylContact O-C 3.52Å; K1869-A1872 PolarHBondContact O-N 2.84Å; A1872-N1876 VanDerWaalsContact C-N 3.33Å; A1872-N1876 WeakPolarHBondContact O-CA 3.19Å; A1872-N1876 WeakPolarHBondContact O-CB 3.46Å; A1872-N1876 VanDerWaalsContact O-CG 3.29Å; A1872-N1876 PolarHBondContact O-N 3.49Å; A1872-N1876 PolarHBondContact O-ND2 2.88Å |
| 1873 | E | 72.3 | Confident | 70.7 | Confident | 112 Ų | 112 | 101.4 Ų | 101.4 | 52% | 0.523 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -103.7 | -37.6 | 165.8 | -78.9 | 179.7 | -178.4 | 0 | 0 | 109.5 | K1869 E1870 A1877 | K1869-E1873 WeakPolarHBondContact CE-OE1 3.33Å; K1869-E1873 HydrophobicContact CG-CG 4.06Å; K1869-E1873 WeakPolarHBondContact CG-OE1 3.46Å; K1869-E1873 IonicContact NZ-OE1 3.84Å; K1869-E1873 WeakPolarHBondContact O-CA 3.32Å; K1869-E1873 WeakPolarHBondContact O-CB 3.44Å; K1869-E1873 WeakPolarHBondContact O-CG 3.47Å; K1869-E1873 PolarHBondContact O-N 2.78Å; E1870-E1873 PolarHBondContact O-N 3.33Å; E1873-A1877 WeakPolarHBondContact O-CA 3.47Å; E1873-A1877 WeakPolarHBondContact O-CB 3.35Å; E1873-A1877 PolarHBondContact O-N 2.95Å |
| 1874 | K | 71.6 | Confident | 70.7 | Confident | 119 Ų | 119 | 103.4 Ų | 103.4 | 52% | 0.517 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -35.3 | 154 | -66.4 | 164.9 | -177.2 | 164.1 | 0 | 109.8 | E1870 A1877 R1878 | E1870-K1874 VanDerWaalsContact CD-CE 3.42Å; E1870-K1874 HydrophobicContact CG-CD 4.15Å; E1870-K1874 HydrophobicContact CG-CG 4.5Å; E1870-K1874 WeakPolarHBondContact O-CA 3.47Å; E1870-K1874 WeakPolarHBondContact O-CB 3.33Å; E1870-K1874 WeakPolarHBondContact O-CD 3.49Å; E1870-K1874 WeakPolarHBondContact O-CG 3.34Å; E1870-K1874 PolarHBondContact O-N 3.42Å; E1870-K1874 WeakPolarHBondContact OE1-CE 3.3Å; E1870-K1874 IonicContact OE1-NZ 2.59Å; E1870-K1874 PolarHBondContact OE1-NZ 2.9Å; E1870-K1874 IonicContact OE2-NZ 2.61Å; E1870-K1874 PolarHBondContact OE2-NZ 2.91Å; K1874-A1877 PolarHBondContact O-N 3.1Å; K1874-R1878 WeakPolarHBondContact O-CB 3.43Å; K1874-R1878 PolarHBondContact O-N 3.48Å |
| 1875 | G | 70.8 | Confident | 70.8 | Confident | 23 Ų | 23 | 103.5 Ų | 103.5 | 24% | 0.237 | 50% | 0.498 | C | S | . | . | H | α-helix | trans | -72.8 | -46.2 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1871 A1877 R1878 V1879 | Q1871-G1875 WeakPolarHBondContact O-CA 3.39Å; Q1871-G1875 PolarHBondContact O-N 2.87Å; G1875-A1877 VanDerWaalsContact C-N 3.31Å; G1875-A1877 PolarHBondContact O-N 3.36Å; G1875-R1878 CarbonylContact O-C 3.52Å; G1875-R1878 PolarHBondContact O-N 3.06Å; G1875-V1879 WeakPolarHBondContact O-CA 3.34Å; G1875-V1879 WeakPolarHBondContact O-CB 3.43Å; G1875-V1879 VanDerWaalsContact O-CG2 3.25Å; G1875-V1879 WeakPolarHBondContact O-CG2 3.31Å; G1875-V1879 PolarHBondContact O-N 2.96Å |
| 1876 | N | 71.4 | Confident | 70.9 | Confident | 93 Ų | 93 | 105.6 Ų | 105.6 | 50% | 0.497 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -73.3 | -19.5 | 170.1 | -84 | -75.3 | 0 | 0 | 0 | 112.6 | A1872 K1880 | A1872-N1876 VanDerWaalsContact C-N 3.33Å; A1872-N1876 WeakPolarHBondContact O-CA 3.19Å; A1872-N1876 WeakPolarHBondContact O-CB 3.46Å; A1872-N1876 VanDerWaalsContact O-CG 3.29Å; A1872-N1876 PolarHBondContact O-N 3.49Å; A1872-N1876 PolarHBondContact O-ND2 2.88Å; N1876-K1880 WeakPolarHBondContact O-CA 3.26Å; N1876-K1880 WeakPolarHBondContact O-CB 3.37Å; N1876-K1880 WeakPolarHBondContact O-CD 3.4Å; N1876-K1880 WeakPolarHBondContact O-CG 3.4Å; N1876-K1880 PolarHBondContact O-N 3.43Å |
| 1877 | A | 68.1 | Low | 71 | Confident | 52 Ų | 52 | 106.7 Ų | 106.7 | 43% | 0.43 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -75.9 | -40.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 110.4 | E1873 K1874 G1875 K1880 Q1881 | E1873-A1877 WeakPolarHBondContact O-CA 3.47Å; E1873-A1877 WeakPolarHBondContact O-CB 3.35Å; E1873-A1877 PolarHBondContact O-N 2.95Å; K1874-A1877 PolarHBondContact O-N 3.1Å; G1875-A1877 VanDerWaalsContact C-N 3.31Å; G1875-A1877 PolarHBondContact O-N 3.36Å; A1877-K1880 CarbonylContact O-C 3.56Å; A1877-K1880 PolarHBondContact O-N 3.4Å; A1877-Q1881 WeakPolarHBondContact O-CA 3.32Å; A1877-Q1881 WeakPolarHBondContact O-CB 3.48Å; A1877-Q1881 PolarHBondContact O-N 3.3Å |
| 1878 | R | 71.6 | Confident | 71.1 | Confident | 182 Ų | 182 | 106.2 Ų | 106.2 | 69% | 0.687 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -75.1 | -28.8 | 175.1 | -156.8 | 175.8 | -158.9 | -179 | 4.8 | 111.9 | K1874 G1875 L1882 | K1874-R1878 WeakPolarHBondContact O-CB 3.43Å; K1874-R1878 PolarHBondContact O-N 3.48Å; G1875-R1878 CarbonylContact O-C 3.52Å; G1875-R1878 PolarHBondContact O-N 3.06Å; R1878-L1882 WeakPolarHBondContact O-CA 3.47Å; R1878-L1882 WeakPolarHBondContact O-CB 3.22Å; R1878-L1882 WeakPolarHBondContact O-CD1 3.42Å; R1878-L1882 WeakPolarHBondContact O-CG 3.27Å; R1878-L1882 PolarHBondContact O-N 3.05Å |
| 1879 | V | 71.9 | Confident | 71.2 | Confident | 74 Ų | 74 | 101.6 Ų | 101.6 | 45% | 0.448 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -81.6 | -25.8 | 169 | 170.1 | 0 | 0 | 0 | 0 | 111.3 | G1875 K1883 | G1875-V1879 WeakPolarHBondContact O-CA 3.34Å; G1875-V1879 WeakPolarHBondContact O-CB 3.43Å; G1875-V1879 VanDerWaalsContact O-CG2 3.25Å; G1875-V1879 WeakPolarHBondContact O-CG2 3.31Å; G1875-V1879 PolarHBondContact O-N 2.96Å; V1879-K1883 WeakPolarHBondContact O-CA 3.46Å; V1879-K1883 WeakPolarHBondContact O-CB 3.07Å; V1879-K1883 VanDerWaalsContact O-CG 3.26Å; V1879-K1883 WeakPolarHBondContact O-CG 3.19Å; V1879-K1883 PolarHBondContact O-N 2.96Å |
| 1880 | K | 70.3 | Confident | 71.3 | Confident | 151 Ų | 151 | 101.5 Ų | 101.5 | 66% | 0.657 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -75.5 | -30.7 | 164 | -82.5 | 172.6 | 177 | 177.3 | 0 | 112.3 | N1876 A1877 R1884 | N1876-K1880 WeakPolarHBondContact O-CA 3.26Å; N1876-K1880 WeakPolarHBondContact O-CB 3.37Å; N1876-K1880 WeakPolarHBondContact O-CD 3.4Å; N1876-K1880 WeakPolarHBondContact O-CG 3.4Å; N1876-K1880 PolarHBondContact O-N 3.43Å; A1877-K1880 CarbonylContact O-C 3.56Å; A1877-K1880 PolarHBondContact O-N 3.4Å; K1880-R1884 WeakPolarHBondContact O-CA 3.21Å; K1880-R1884 WeakPolarHBondContact O-CB 3.06Å; K1880-R1884 PolarHBondContact O-N 2.91Å |
| 1881 | Q | 71.9 | Confident | 71.2 | Confident | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -77.8 | -39.7 | 175.9 | -173.2 | 176.6 | 13.8 | 0 | 0 | 110 | A1877 R1884 Q1885 | A1877-Q1881 WeakPolarHBondContact O-CA 3.32Å; A1877-Q1881 WeakPolarHBondContact O-CB 3.48Å; A1877-Q1881 PolarHBondContact O-N 3.3Å; Q1881-R1884 CarbonylContact O-C 3.58Å; Q1881-R1884 PolarHBondContact O-N 2.88Å; Q1881-Q1885 VanDerWaalsContact O-CB 3.24Å; Q1881-Q1885 WeakPolarHBondContact O-CB 3.27Å; Q1881-Q1885 WeakPolarHBondContact O-CG 3.08Å; Q1881-Q1885 PolarHBondContact O-N 3.45Å |
| 1882 | L | 71.6 | Confident | 71.4 | Confident | 102 Ų | 102 | 101.6 Ų | 101.6 | 53% | 0.534 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.2 | -37.5 | 169 | -73.9 | 167.9 | 0 | 0 | 0 | 111.4 | R1878 R1884 Q1885 L1886 | R1878-L1882 WeakPolarHBondContact O-CA 3.47Å; R1878-L1882 WeakPolarHBondContact O-CB 3.22Å; R1878-L1882 WeakPolarHBondContact O-CD1 3.42Å; R1878-L1882 WeakPolarHBondContact O-CG 3.27Å; R1878-L1882 PolarHBondContact O-N 3.05Å; L1882-R1884 VanDerWaalsContact C-N 3.34Å; L1882-Q1885 CarbonylContact O-C 3.48Å; L1882-Q1885 PolarHBondContact O-N 2.72Å; L1882-L1886 WeakPolarHBondContact O-CA 3.49Å; L1882-L1886 WeakPolarHBondContact O-CB 3.45Å; L1882-L1886 PolarHBondContact O-N 3.48Å |
| 1883 | K | 70.7 | Confident | 71.5 | Confident | 121 Ų | 121 | 102.3 Ų | 102.3 | 53% | 0.526 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.8 | -35.5 | 169.2 | -87.7 | -164 | 165.1 | -155.1 | 0 | 111.9 | V1879 L1886 E1887 | V1879-K1883 WeakPolarHBondContact O-CA 3.46Å; V1879-K1883 WeakPolarHBondContact O-CB 3.07Å; V1879-K1883 VanDerWaalsContact O-CG 3.26Å; V1879-K1883 WeakPolarHBondContact O-CG 3.19Å; V1879-K1883 PolarHBondContact O-N 2.96Å; K1883-L1886 CarbonylContact O-C 3.39Å; K1883-L1886 PolarHBondContact O-N 3.04Å; K1883-E1887 WeakPolarHBondContact O-CA 3.45Å; K1883-E1887 WeakPolarHBondContact O-CB 3.26Å; K1883-E1887 WeakPolarHBondContact O-CG 3.45Å; K1883-E1887 PolarHBondContact O-N 2.99Å |
| 1884 | R | 70.8 | Confident | 71.7 | Confident | 160 Ų | 160 | 103.2 Ų | 103.2 | 60% | 0.604 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -73 | -34.8 | 175.6 | -178.4 | 171.7 | 178.7 | 159.9 | 7.1 | 111.5 | K1880 Q1881 L1882 L1886 E1887 E1888 | K1880-R1884 WeakPolarHBondContact O-CA 3.21Å; K1880-R1884 WeakPolarHBondContact O-CB 3.06Å; K1880-R1884 PolarHBondContact O-N 2.91Å; Q1881-R1884 CarbonylContact O-C 3.58Å; Q1881-R1884 PolarHBondContact O-N 2.88Å; L1882-R1884 VanDerWaalsContact C-N 3.34Å; R1884-L1886 VanDerWaalsContact C-N 3.33Å; R1884-E1887 PolarHBondContact O-N 3.11Å; R1884-E1888 HydrophobicContact CG-CG 4.35Å; R1884-E1888 VanDerWaalsContact CG-OE1 3.27Å; R1884-E1888 WeakPolarHBondContact CG-OE1 3.2Å; R1884-E1888 IonicContact CZ-OE1 2.63Å; R1884-E1888 IonicContact NE-OE1 2.72Å; R1884-E1888 PolarHBondContact NE-OE1 2.92Å; R1884-E1888 IonicContact NH2-OE1 3.15Å; R1884-E1888 WeakPolarHBondContact O-CA 3.21Å; R1884-E1888 WeakPolarHBondContact O-CB 3.43Å; R1884-E1888 WeakPolarHBondContact O-CG 3.41Å; R1884-E1888 PolarHBondContact O-N 3.27Å |
| 1885 | Q | 70 | Confident | 71.7 | Confident | 100 Ų | 100 | 104.7 Ų | 104.7 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -72.4 | -27.3 | 169.3 | -75.5 | 172.8 | -27.7 | 0 | 0 | 111.8 | Q1881 L1882 A1889 | Q1881-Q1885 VanDerWaalsContact O-CB 3.24Å; Q1881-Q1885 WeakPolarHBondContact O-CB 3.27Å; Q1881-Q1885 WeakPolarHBondContact O-CG 3.08Å; Q1881-Q1885 PolarHBondContact O-N 3.45Å; L1882-Q1885 CarbonylContact O-C 3.48Å; L1882-Q1885 PolarHBondContact O-N 2.72Å; Q1885-A1889 WeakPolarHBondContact O-CA 3.5Å; Q1885-A1889 WeakPolarHBondContact O-CB 3.22Å; Q1885-A1889 PolarHBondContact O-N 3.45Å |
| 1886 | L | 73.2 | Confident | 71.9 | Confident | 97 Ų | 97 | 108.5 Ų | 108.5 | 51% | 0.508 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -79 | -34.2 | 171.9 | -164.3 | 83 | 0 | 0 | 0 | 110.8 | L1882 K1883 R1884 A1889 E1890 | L1882-L1886 WeakPolarHBondContact O-CA 3.49Å; L1882-L1886 WeakPolarHBondContact O-CB 3.45Å; L1882-L1886 PolarHBondContact O-N 3.48Å; K1883-L1886 CarbonylContact O-C 3.39Å; K1883-L1886 PolarHBondContact O-N 3.04Å; R1884-L1886 VanDerWaalsContact C-N 3.33Å; L1886-A1889 CarbonylContact O-C 3.2Å; L1886-E1890 HydrophobicContact CG-CG 4.45Å; L1886-E1890 WeakPolarHBondContact O-CA 3.31Å; L1886-E1890 WeakPolarHBondContact O-CB 3.46Å; L1886-E1890 WeakPolarHBondContact O-CG 3.27Å; L1886-E1890 PolarHBondContact O-N 3.14Å |
| 1887 | E | 71.9 | Confident | 72 | Confident | 111 Ų | 111 | 106.9 Ų | 106.9 | 52% | 0.519 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -74.9 | -35.2 | 173.2 | -76.4 | 161.1 | -171.8 | 0 | 0 | 110 | K1883 R1884 E1891 | K1883-E1887 WeakPolarHBondContact O-CA 3.45Å; K1883-E1887 WeakPolarHBondContact O-CB 3.26Å; K1883-E1887 WeakPolarHBondContact O-CG 3.45Å; K1883-E1887 PolarHBondContact O-N 2.99Å; R1884-E1887 PolarHBondContact O-N 3.11Å; E1887-E1891 WeakPolarHBondContact O-CA 3.21Å; E1887-E1891 WeakPolarHBondContact O-CB 3.44Å; E1887-E1891 WeakPolarHBondContact O-CG 3.4Å; E1887-E1891 PolarHBondContact O-N 2.83Å |
| 1888 | E | 72.2 | Confident | 72.3 | Confident | 100 Ų | 100 | 106.9 Ų | 106.9 | 47% | 0.467 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -73.4 | -35.7 | 171.1 | -73.7 | 162.8 | -173.4 | 0 | 0 | 110.6 | R1884 E1892 | R1884-E1888 HydrophobicContact CG-CG 4.35Å; R1884-E1888 VanDerWaalsContact CG-OE1 3.27Å; R1884-E1888 WeakPolarHBondContact CG-OE1 3.2Å; R1884-E1888 IonicContact CZ-OE1 2.63Å; R1884-E1888 IonicContact NE-OE1 2.72Å; R1884-E1888 PolarHBondContact NE-OE1 2.92Å; R1884-E1888 IonicContact NH2-OE1 3.15Å; R1884-E1888 WeakPolarHBondContact O-CA 3.21Å; R1884-E1888 WeakPolarHBondContact O-CB 3.43Å; R1884-E1888 WeakPolarHBondContact O-CG 3.41Å; R1884-E1888 PolarHBondContact O-N 3.27Å; E1888-E1892 WeakPolarHBondContact O-CB 3.49Å; E1888-E1892 PolarHBondContact O-N 3.45Å |
| 1889 | A | 71.2 | Confident | 72.4 | Confident | 54 Ų | 54 | 102.8 Ų | 102.8 | 45% | 0.446 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -80.8 | -22.6 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q1885 L1886 S1893 | Q1885-A1889 WeakPolarHBondContact O-CA 3.5Å; Q1885-A1889 WeakPolarHBondContact O-CB 3.22Å; Q1885-A1889 PolarHBondContact O-N 3.45Å; L1886-A1889 CarbonylContact O-C 3.2Å; A1889-S1893 WeakPolarHBondContact O-CA 3.21Å; A1889-S1893 WeakPolarHBondContact O-CB 3.48Å; A1889-S1893 PolarHBondContact O-N 3.47Å |
| 1890 | E | 72.4 | Confident | 72.5 | Confident | 101 Ų | 101 | 106.5 Ų | 106.5 | 47% | 0.472 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -82.7 | -34 | 168.9 | -80.4 | -176.8 | -175.4 | 0 | 0 | 110.1 | L1886 Q1894 | L1886-E1890 HydrophobicContact CG-CG 4.45Å; L1886-E1890 WeakPolarHBondContact O-CA 3.31Å; L1886-E1890 WeakPolarHBondContact O-CB 3.46Å; L1886-E1890 WeakPolarHBondContact O-CG 3.27Å; L1886-E1890 PolarHBondContact O-N 3.14Å; E1890-Q1894 WeakPolarHBondContact O-CA 3.24Å; E1890-Q1894 WeakPolarHBondContact O-CB 3.3Å; E1890-Q1894 WeakPolarHBondContact O-CG 3.33Å; E1890-Q1894 PolarHBondContact O-N 3.48Å |
| 1891 | E | 70.3 | Confident | 72.7 | Confident | 104 Ų | 104 | 107.8 Ų | 107.8 | 49% | 0.486 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.4 | -43.9 | 164.5 | -92.9 | -149.3 | -145.1 | 0 | 0 | 110.4 | E1887 Q1894 R1895 | E1887-E1891 WeakPolarHBondContact O-CA 3.21Å; E1887-E1891 WeakPolarHBondContact O-CB 3.44Å; E1887-E1891 WeakPolarHBondContact O-CG 3.4Å; E1887-E1891 PolarHBondContact O-N 2.83Å; E1891-Q1894 CarbonylContact O-C 3.47Å; E1891-Q1894 PolarHBondContact O-N 3.34Å; E1891-R1895 VanDerWaalsContact O-CB 3.27Å; E1891-R1895 WeakPolarHBondContact O-CB 3.39Å; E1891-R1895 WeakPolarHBondContact O-CG 3.28Å; E1891-R1895 PolarHBondContact O-N 3.47Å; E1891-R1895 IonicContact OE2-CZ 2.61Å; E1891-R1895 IonicContact OE2-NE 3.86Å; E1891-R1895 PolarHBondContact OE2-NE 2.81Å; E1891-R1895 IonicContact OE2-NH2 2.69Å; E1891-R1895 PolarHBondContact OE2-NH2 3.2Å |
| 1892 | E | 73.1 | Confident | 72.8 | Confident | 121 Ų | 121 | 107.5 Ų | 107.5 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -71.1 | -37.1 | 177.9 | -172 | 146.9 | -118.2 | 0 | 0 | 111.2 | E1888 R1895 I1896 | E1888-E1892 WeakPolarHBondContact O-CB 3.49Å; E1888-E1892 PolarHBondContact O-N 3.45Å; E1892-R1895 CarbonylContact O-C 3.52Å; E1892-R1895 PolarHBondContact O-N 3.43Å; E1892-I1896 HydrophobicContact CG-CD1 3.85Å; E1892-I1896 HydrophobicContact CG-CG1 4.39Å; E1892-I1896 WeakPolarHBondContact O-CB 3.35Å; E1892-I1896 WeakPolarHBondContact O-CD1 3.27Å; E1892-I1896 WeakPolarHBondContact O-CG1 3.33Å; E1892-I1896 PolarHBondContact O-N 3.3Å |
| 1893 | S | 74.1 | Confident | 72.8 | Confident | 56 Ų | 56 | 108.1 Ų | 108.1 | 39% | 0.392 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -67.9 | -31.7 | 169.5 | -177.2 | 0 | 0 | 0 | 0 | 112.2 | A1889 N1897 | A1889-S1893 WeakPolarHBondContact O-CA 3.21Å; A1889-S1893 WeakPolarHBondContact O-CB 3.48Å; A1889-S1893 PolarHBondContact O-N 3.47Å; S1893-N1897 WeakPolarHBondContact O-CA 3.2Å; S1893-N1897 WeakPolarHBondContact O-CB 3.32Å; S1893-N1897 PolarHBondContact O-N 3.23Å; S1893-N1897 PolarHBondContact O-ND2 3.2Å; S1893-N1897 PolarHBondContact OG-ND2 2.66Å |
| 1894 | Q | 75.8 | Confident | 72.8 | Confident | 131 Ų | 131 | 106.5 Ų | 106.5 | 61% | 0.612 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -76.5 | -33.7 | 172.6 | -78.7 | -179.6 | 55 | 0 | 0 | 111.6 | E1890 E1891 A1898 | E1890-Q1894 WeakPolarHBondContact O-CA 3.24Å; E1890-Q1894 WeakPolarHBondContact O-CB 3.3Å; E1890-Q1894 WeakPolarHBondContact O-CG 3.33Å; E1890-Q1894 PolarHBondContact O-N 3.48Å; E1891-Q1894 CarbonylContact O-C 3.47Å; E1891-Q1894 PolarHBondContact O-N 3.34Å; Q1894-A1898 WeakPolarHBondContact O-CA 3.24Å; Q1894-A1898 WeakPolarHBondContact O-CB 3.46Å; Q1894-A1898 PolarHBondContact O-N 3.2Å |
| 1895 | R | 72.6 | Confident | 73 | Confident | 150 Ų | 150 | 107.2 Ų | 107.2 | 57% | 0.566 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -70.1 | -38.8 | 171 | -72.1 | 166.9 | -167.3 | -160.5 | 7.5 | 110.5 | E1891 E1892 A1898 N1899 | E1891-R1895 VanDerWaalsContact O-CB 3.27Å; E1891-R1895 WeakPolarHBondContact O-CB 3.39Å; E1891-R1895 WeakPolarHBondContact O-CG 3.28Å; E1891-R1895 PolarHBondContact O-N 3.47Å; E1891-R1895 IonicContact OE2-CZ 2.61Å; E1891-R1895 IonicContact OE2-NE 3.86Å; E1891-R1895 PolarHBondContact OE2-NE 2.81Å; E1891-R1895 IonicContact OE2-NH2 2.69Å; E1891-R1895 PolarHBondContact OE2-NH2 3.2Å; E1892-R1895 CarbonylContact O-C 3.52Å; E1892-R1895 PolarHBondContact O-N 3.43Å; R1895-A1898 PolarHBondContact O-N 3.41Å; R1895-N1899 WeakPolarHBondContact O-CB 3.05Å; R1895-N1899 PolarHBondContact O-N 3.01Å |
| 1896 | I | 74 | Confident | 73.3 | Confident | 103 Ų | 103 | 106.4 Ų | 106.4 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.6 | -39.9 | 173.3 | -71.6 | 166.2 | 0 | 0 | 0 | 110.2 | E1892 N1899 R1900 | E1892-I1896 HydrophobicContact CG-CD1 3.85Å; E1892-I1896 HydrophobicContact CG-CG1 4.39Å; E1892-I1896 WeakPolarHBondContact O-CB 3.35Å; E1892-I1896 WeakPolarHBondContact O-CD1 3.27Å; E1892-I1896 WeakPolarHBondContact O-CG1 3.33Å; E1892-I1896 PolarHBondContact O-N 3.3Å; I1896-N1899 CarbonylContact O-C 3.2Å; I1896-R1900 WeakPolarHBondContact O-CA 3.37Å; I1896-R1900 WeakPolarHBondContact O-CB 3.38Å; I1896-R1900 PolarHBondContact O-N 2.83Å |
| 1897 | N | 74.1 | Confident | 73.3 | Confident | 60 Ų | 60 | 106.8 Ų | 106.8 | 32% | 0.321 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -75.2 | -26.5 | 173.8 | -80.2 | -65 | 0 | 0 | 0 | 112.8 | S1893 R1901 | S1893-N1897 WeakPolarHBondContact O-CA 3.2Å; S1893-N1897 WeakPolarHBondContact O-CB 3.32Å; S1893-N1897 PolarHBondContact O-N 3.23Å; S1893-N1897 PolarHBondContact O-ND2 3.2Å; S1893-N1897 PolarHBondContact OG-ND2 2.66Å; N1897-R1901 WeakPolarHBondContact O-CB 3.34Å; N1897-R1901 WeakPolarHBondContact O-CG 3.42Å; N1897-R1901 PolarHBondContact O-N 3.37Å |
| 1898 | A | 74.1 | Confident | 73.5 | Confident | 52 Ų | 52 | 105.4 Ų | 105.4 | 43% | 0.43 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.2 | -42 | 171.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q1894 R1895 R1900 R1901 K1902 | Q1894-A1898 WeakPolarHBondContact O-CA 3.24Å; Q1894-A1898 WeakPolarHBondContact O-CB 3.46Å; Q1894-A1898 PolarHBondContact O-N 3.2Å; R1895-A1898 PolarHBondContact O-N 3.41Å; A1898-R1900 VanDerWaalsContact C-N 3.33Å; A1898-R1901 CarbonylContact O-C 3.53Å; A1898-R1901 PolarHBondContact O-N 2.92Å; A1898-K1902 WeakPolarHBondContact O-CB 3.49Å; A1898-K1902 PolarHBondContact O-N 2.65Å |
| 1899 | N | 74.1 | Confident | 73.7 | Confident | 96 Ų | 96 | 106.9 Ų | 106.9 | 51% | 0.513 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.7 | -32 | 169.9 | -79.8 | -19.8 | 0 | 0 | 0 | 111.7 | R1895 I1896 K1902 L1903 | R1895-N1899 WeakPolarHBondContact O-CB 3.05Å; R1895-N1899 PolarHBondContact O-N 3.01Å; I1896-N1899 CarbonylContact O-C 3.2Å; N1899-K1902 PolarHBondContact O-N 3.44Å; N1899-L1903 WeakPolarHBondContact O-CB 3.3Å; N1899-L1903 WeakPolarHBondContact O-CG 3.38Å; N1899-L1903 PolarHBondContact O-N 2.92Å |
| 1900 | R | 74.7 | Confident | 73.8 | Confident | 151 Ų | 151 | 106.8 Ų | 106.8 | 57% | 0.57 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -73 | -38.1 | 171.9 | -161.9 | -172.9 | 106.4 | -164.5 | 7.1 | 110.8 | I1896 A1898 K1902 Q1904 | I1896-R1900 WeakPolarHBondContact O-CA 3.37Å; I1896-R1900 WeakPolarHBondContact O-CB 3.38Å; I1896-R1900 PolarHBondContact O-N 2.83Å; A1898-R1900 VanDerWaalsContact C-N 3.33Å; R1900-K1902 VanDerWaalsContact C-N 3.3Å; R1900-Q1904 WeakPolarHBondContact O-CA 3.33Å; R1900-Q1904 WeakPolarHBondContact O-CB 3.35Å; R1900-Q1904 PolarHBondContact O-N 3.15Å |
| 1901 | R | 74.2 | Confident | 73.9 | Confident | 179 Ų | 179 | 105.1 Ų | 105.1 | 68% | 0.675 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -69.2 | -26.5 | 169.9 | -76.8 | 170.9 | 178.3 | -178.7 | 0.8 | 112.4 | N1897 A1898 R1905 | N1897-R1901 WeakPolarHBondContact O-CB 3.34Å; N1897-R1901 WeakPolarHBondContact O-CG 3.42Å; N1897-R1901 PolarHBondContact O-N 3.37Å; A1898-R1901 CarbonylContact O-C 3.53Å; A1898-R1901 PolarHBondContact O-N 2.92Å; R1901-R1905 VanDerWaalsContact O-CB 3.29Å; R1901-R1905 WeakPolarHBondContact O-CB 3.44Å; R1901-R1905 VanDerWaalsContact O-CG 3.24Å; R1901-R1905 WeakPolarHBondContact O-CG 3.47Å; R1901-R1905 PolarHBondContact O-N 3.1Å |
| 1902 | K | 74 | Confident | 74.2 | Confident | 108 Ų | 108 | 106.6 Ų | 106.6 | 47% | 0.47 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -79.7 | -48.7 | 175.2 | -175.3 | 174.5 | 177.4 | -69.9 | 0 | 110.9 | A1898 N1899 R1900 Q1904 R1905 E1906 | A1898-K1902 WeakPolarHBondContact O-CB 3.49Å; A1898-K1902 PolarHBondContact O-N 2.65Å; N1899-K1902 PolarHBondContact O-N 3.44Å; R1900-K1902 VanDerWaalsContact C-N 3.3Å; K1902-Q1904 VanDerWaalsContact C-N 3.26Å; K1902-Q1904 PolarHBondContact O-N 2.88Å; K1902-R1905 CarbonylContact O-C 3.45Å; K1902-R1905 PolarHBondContact O-N 3.28Å; K1902-E1906 WeakPolarHBondContact CE-OE1 3.26Å; K1902-E1906 IonicContact NZ-OE1 2.75Å; K1902-E1906 PolarHBondContact NZ-OE1 2.83Å; K1902-E1906 IonicContact NZ-OE2 3.16Å; K1902-E1906 WeakPolarHBondContact O-CB 3.28Å; K1902-E1906 VanDerWaalsContact O-CG 3.26Å; K1902-E1906 WeakPolarHBondContact O-CG 3.42Å; K1902-E1906 PolarHBondContact O-N 2.58Å |
| 1903 | L | 70.7 | Confident | 74.3 | Confident | 115 Ų | 115 | 104 Ų | 104 | 60% | 0.602 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -62.3 | -32.6 | 169.7 | -81.2 | 163.7 | 0 | 0 | 0 | 111.9 | N1899 L1907 | N1899-L1903 WeakPolarHBondContact O-CB 3.3Å; N1899-L1903 WeakPolarHBondContact O-CG 3.38Å; N1899-L1903 PolarHBondContact O-N 2.92Å; L1903-L1907 WeakPolarHBondContact O-CA 3.33Å; L1903-L1907 WeakPolarHBondContact O-CB 3.45Å; L1903-L1907 PolarHBondContact O-N 3.23Å |
| 1904 | Q | 72.3 | Confident | 74.2 | Confident | 88 Ų | 88 | 106.7 Ų | 106.7 | 41% | 0.411 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -77.2 | -34.7 | 174.1 | -169.9 | 155.3 | 8.9 | 0 | 0 | 111.1 | R1900 K1902 L1907 D1908 | R1900-Q1904 WeakPolarHBondContact O-CA 3.33Å; R1900-Q1904 WeakPolarHBondContact O-CB 3.35Å; R1900-Q1904 PolarHBondContact O-N 3.15Å; K1902-Q1904 VanDerWaalsContact C-N 3.26Å; K1902-Q1904 PolarHBondContact O-N 2.88Å; Q1904-L1907 CarbonylContact O-C 3.59Å; Q1904-L1907 PolarHBondContact O-N 2.85Å; Q1904-D1908 WeakPolarHBondContact O-CA 3.38Å; Q1904-D1908 WeakPolarHBondContact O-CB 3.25Å; Q1904-D1908 PolarHBondContact O-N 3.24Å; Q1904-D1908 VanDerWaalsContact O-OD2 3.11Å |
| 1905 | R | 75 | Confident | 74.2 | Confident | 175 Ų | 175 | 105 Ų | 105 | 66% | 0.66 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -66.5 | -36.6 | 165.9 | -81.2 | 176 | -175.6 | 165.3 | 1.3 | 113 | R1901 K1902 L1907 D1908 E1909 | R1901-R1905 VanDerWaalsContact O-CB 3.29Å; R1901-R1905 WeakPolarHBondContact O-CB 3.44Å; R1901-R1905 VanDerWaalsContact O-CG 3.24Å; R1901-R1905 WeakPolarHBondContact O-CG 3.47Å; R1901-R1905 PolarHBondContact O-N 3.1Å; K1902-R1905 CarbonylContact O-C 3.45Å; K1902-R1905 PolarHBondContact O-N 3.28Å; R1905-L1907 VanDerWaalsContact C-N 3.34Å; R1905-D1908 PolarHBondContact O-N 2.75Å; R1905-E1909 WeakPolarHBondContact O-CA 3.34Å; R1905-E1909 WeakPolarHBondContact O-CB 3.38Å; R1905-E1909 VanDerWaalsContact O-CG 3.22Å; R1905-E1909 WeakPolarHBondContact O-CG 3.26Å; R1905-E1909 PolarHBondContact O-N 2.76Å |
| 1906 | E | 74.6 | Confident | 74.2 | Confident | 83 Ų | 83 | 100 Ų | 100 | 39% | 0.388 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -72.8 | -30.6 | 175.7 | -74.1 | 166.3 | 171.6 | 0 | 0 | 110.8 | K1902 A1910 | K1902-E1906 WeakPolarHBondContact CE-OE1 3.26Å; K1902-E1906 IonicContact NZ-OE1 2.75Å; K1902-E1906 PolarHBondContact NZ-OE1 2.83Å; K1902-E1906 IonicContact NZ-OE2 3.16Å; K1902-E1906 WeakPolarHBondContact O-CB 3.28Å; K1902-E1906 VanDerWaalsContact O-CG 3.26Å; K1902-E1906 WeakPolarHBondContact O-CG 3.42Å; K1902-E1906 PolarHBondContact O-N 2.58Å; E1906-A1910 WeakPolarHBondContact O-CA 3.44Å; E1906-A1910 WeakPolarHBondContact O-CB 3.34Å; E1906-A1910 PolarHBondContact O-N 2.82Å |
| 1907 | L | 74.1 | Confident | 74.2 | Confident | 104 Ų | 104 | 100.3 Ų | 100.3 | 55% | 0.545 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -74.3 | -39 | 169.9 | -175.7 | 68.7 | 0 | 0 | 0 | 111.4 | L1903 Q1904 R1905 A1910 T1911 | L1903-L1907 WeakPolarHBondContact O-CA 3.33Å; L1903-L1907 WeakPolarHBondContact O-CB 3.45Å; L1903-L1907 PolarHBondContact O-N 3.23Å; Q1904-L1907 CarbonylContact O-C 3.59Å; Q1904-L1907 PolarHBondContact O-N 2.85Å; R1905-L1907 VanDerWaalsContact C-N 3.34Å; L1907-A1910 CarbonylContact O-C 3.38Å; L1907-A1910 PolarHBondContact O-N 3.17Å; L1907-T1911 WeakPolarHBondContact O-CA 3.47Å; L1907-T1911 WeakPolarHBondContact O-CB 3.33Å; L1907-T1911 PolarHBondContact O-N 3.29Å; L1907-T1911 PolarHBondContact O-OG1 3.03Å |
| 1908 | D | 76.3 | Confident | 74 | Confident | 83 Ų | 83 | 98.6 Ų | 98.6 | 44% | 0.444 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -72 | -40.1 | 177.6 | -66.9 | -22.2 | 0 | 0 | 0 | 109.7 | Q1904 R1905 T1911 E1912 | Q1904-D1908 WeakPolarHBondContact O-CA 3.38Å; Q1904-D1908 WeakPolarHBondContact O-CB 3.25Å; Q1904-D1908 PolarHBondContact O-N 3.24Å; Q1904-D1908 VanDerWaalsContact O-OD2 3.11Å; R1905-D1908 PolarHBondContact O-N 2.75Å; D1908-T1911 CarbonylContact O-C 3.48Å; D1908-T1911 PolarHBondContact O-N 3.12Å; D1908-E1912 WeakPolarHBondContact O-CB 3.35Å; D1908-E1912 WeakPolarHBondContact O-CG 3.29Å; D1908-E1912 PolarHBondContact O-N 3.32Å |
| 1909 | E | 76 | Confident | 74 | Confident | 130 Ų | 130 | 103.3 Ų | 103.3 | 61% | 0.607 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67.5 | -39.3 | 170.1 | -76.5 | 175.6 | -165.5 | 0 | 0 | 111.3 | R1905 T1911 S1913 | R1905-E1909 WeakPolarHBondContact O-CA 3.34Å; R1905-E1909 WeakPolarHBondContact O-CB 3.38Å; R1905-E1909 VanDerWaalsContact O-CG 3.22Å; R1905-E1909 WeakPolarHBondContact O-CG 3.26Å; R1905-E1909 PolarHBondContact O-N 2.76Å; E1909-T1911 VanDerWaalsContact C-N 3.3Å; E1909-S1913 WeakPolarHBondContact O-CA 3.24Å; E1909-S1913 WeakPolarHBondContact O-CB 3.41Å; E1909-S1913 PolarHBondContact O-N 3.13Å |
| 1910 | A | 73.1 | Confident | 73.8 | Confident | 53 Ų | 53 | 105 Ų | 105 | 44% | 0.438 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -69.1 | -29.3 | 172 | 0 | 0 | 0 | 0 | 0 | 112 | E1906 L1907 N1914 | E1906-A1910 WeakPolarHBondContact O-CA 3.44Å; E1906-A1910 WeakPolarHBondContact O-CB 3.34Å; E1906-A1910 PolarHBondContact O-N 2.82Å; L1907-A1910 CarbonylContact O-C 3.38Å; L1907-A1910 PolarHBondContact O-N 3.17Å; A1910-N1914 WeakPolarHBondContact O-CB 3.46Å; A1910-N1914 PolarHBondContact O-N 3.44Å |
| 1911 | T | 75.5 | Confident | 73.5 | Confident | 66 Ų | 66 | 100.8 Ų | 100.8 | 41% | 0.405 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -80.6 | -39 | 177.2 | -60 | 0 | 0 | 0 | 0 | 110.6 | L1907 D1908 E1909 S1913 N1914 E1915 | L1907-T1911 WeakPolarHBondContact O-CA 3.47Å; L1907-T1911 WeakPolarHBondContact O-CB 3.33Å; L1907-T1911 PolarHBondContact O-N 3.29Å; L1907-T1911 PolarHBondContact O-OG1 3.03Å; D1908-T1911 CarbonylContact O-C 3.48Å; D1908-T1911 PolarHBondContact O-N 3.12Å; E1909-T1911 VanDerWaalsContact C-N 3.3Å; T1911-S1913 VanDerWaalsContact C-N 3.32Å; T1911-N1914 CarbonylContact O-C 3Å; T1911-N1914 PolarHBondContact O-N 3.4Å; T1911-E1915 WeakPolarHBondContact O-CA 3.46Å; T1911-E1915 WeakPolarHBondContact O-CB 3.39Å; T1911-E1915 WeakPolarHBondContact O-CG 3.49Å; T1911-E1915 PolarHBondContact O-N 2.83Å |
| 1912 | E | 75.5 | Confident | 73.2 | Confident | 134 Ų | 134 | 97 Ų | 97 | 63% | 0.626 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.9 | -35.1 | 167.4 | -79.1 | -150.8 | 125.4 | 0 | 0 | 111.4 | D1908 E1915 A1916 | D1908-E1912 WeakPolarHBondContact O-CB 3.35Å; D1908-E1912 WeakPolarHBondContact O-CG 3.29Å; D1908-E1912 PolarHBondContact O-N 3.32Å; E1912-E1915 CarbonylContact O-C 3.47Å; E1912-A1916 WeakPolarHBondContact O-CA 3.17Å; E1912-A1916 WeakPolarHBondContact O-CB 3.33Å; E1912-A1916 PolarHBondContact O-N 2.84Å |
| 1913 | S | 74.6 | Confident | 72.7 | Confident | 66 Ų | 66 | 93.8 Ų | 93.8 | 46% | 0.462 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.8 | -38.6 | 174.9 | -177.1 | 0 | 0 | 0 | 0 | 112.1 | E1909 T1911 A1916 M1917 | E1909-S1913 WeakPolarHBondContact O-CA 3.24Å; E1909-S1913 WeakPolarHBondContact O-CB 3.41Å; E1909-S1913 PolarHBondContact O-N 3.13Å; T1911-S1913 VanDerWaalsContact C-N 3.32Å; S1913-A1916 PolarHBondContact O-N 3.42Å; S1913-M1917 WeakPolarHBondContact O-CB 3.18Å; S1913-M1917 PolarHBondContact O-N 2.79Å |
| 1914 | N | 73.9 | Confident | 72.1 | Confident | 114 Ų | 114 | 93.1 Ų | 93.1 | 61% | 0.61 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -78.9 | -21.1 | 174.6 | -160.7 | 19.6 | 0 | 0 | 0 | 112.1 | A1910 T1911 G1918 | A1910-N1914 WeakPolarHBondContact O-CB 3.46Å; A1910-N1914 PolarHBondContact O-N 3.44Å; T1911-N1914 CarbonylContact O-C 3Å; T1911-N1914 PolarHBondContact O-N 3.4Å; N1914-G1918 VanDerWaalsContact O-CA 3.23Å; N1914-G1918 WeakPolarHBondContact O-CA 3.49Å; N1914-G1918 PolarHBondContact O-N 2.94Å |
| 1915 | E | 75.7 | Confident | 71.5 | Confident | 95 Ų | 95 | 94.3 Ų | 94.3 | 44% | 0.444 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -78.5 | -32 | 162.8 | -87.2 | -152.3 | -151.8 | 0 | 0 | 111.8 | T1911 E1912 G1918 R1919 | T1911-E1915 WeakPolarHBondContact O-CA 3.46Å; T1911-E1915 WeakPolarHBondContact O-CB 3.39Å; T1911-E1915 WeakPolarHBondContact O-CG 3.49Å; T1911-E1915 PolarHBondContact O-N 2.83Å; E1912-E1915 CarbonylContact O-C 3.47Å; E1915-G1918 CarbonylContact O-C 3.31Å; E1915-G1918 WeakPolarHBondContact O-CA 3.45Å; E1915-G1918 PolarHBondContact O-N 3.34Å; E1915-R1919 WeakPolarHBondContact O-CB 3.5Å; E1915-R1919 WeakPolarHBondContact O-CD 3.23Å; E1915-R1919 WeakPolarHBondContact O-CG 3.28Å; E1915-R1919 PolarHBondContact O-N 3.3Å; E1915-R1919 IonicContact OE2-CZ 2.78Å; E1915-R1919 IonicContact OE2-NE 3.97Å; E1915-R1919 PolarHBondContact OE2-NE 3.14Å; E1915-R1919 IonicContact OE2-NH2 2.61Å; E1915-R1919 PolarHBondContact OE2-NH2 3.12Å |
| 1916 | A | 71.8 | Confident | 70.4 | Confident | 46 Ų | 46 | 88.9 Ų | 88.9 | 38% | 0.38 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.5 | -48.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 109.5 | E1912 S1913 G1918 R1919 E1920 | E1912-A1916 WeakPolarHBondContact O-CA 3.17Å; E1912-A1916 WeakPolarHBondContact O-CB 3.33Å; E1912-A1916 PolarHBondContact O-N 2.84Å; S1913-A1916 PolarHBondContact O-N 3.42Å; A1916-G1918 PolarHBondContact O-N 3.01Å; A1916-R1919 CarbonylContact O-C 3.53Å; A1916-R1919 PolarHBondContact O-N 3.24Å; A1916-E1920 WeakPolarHBondContact O-CB 3.43Å; A1916-E1920 WeakPolarHBondContact O-CG 3.47Å; A1916-E1920 PolarHBondContact O-N 3.06Å |
| 1917 | M | 73.7 | Confident | 69.5 | Low | 109 Ų | 109 | 93 Ų | 93 | 54% | 0.537 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.1 | -31.1 | 165 | -73.4 | -147.2 | -64.8 | 0 | 0 | 111.7 | S1913 V1921 | S1913-M1917 WeakPolarHBondContact O-CB 3.18Å; S1913-M1917 PolarHBondContact O-N 2.79Å; M1917-V1921 WeakPolarHBondContact O-CA 3.49Å; M1917-V1921 WeakPolarHBondContact O-CB 3.23Å; M1917-V1921 WeakPolarHBondContact O-CG2 3.44Å; M1917-V1921 PolarHBondContact O-N 3.42Å |
| 1918 | G | 71.1 | Confident | 68.4 | Low | 24 Ų | 24 | 95 Ų | 95 | 25% | 0.247 | 50% | 0.503 | C | S | . | . | H | α-helix | trans | -65.6 | -40.9 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N1914 E1915 A1916 N1922 | N1914-G1918 VanDerWaalsContact O-CA 3.23Å; N1914-G1918 WeakPolarHBondContact O-CA 3.49Å; N1914-G1918 PolarHBondContact O-N 2.94Å; E1915-G1918 CarbonylContact O-C 3.31Å; E1915-G1918 WeakPolarHBondContact O-CA 3.45Å; E1915-G1918 PolarHBondContact O-N 3.34Å; A1916-G1918 PolarHBondContact O-N 3.01Å; G1918-N1922 WeakPolarHBondContact O-CB 3.4Å; G1918-N1922 PolarHBondContact O-N 2.85Å; G1918-N1922 PolarHBondContact O-ND2 3.14Å; G1918-N1922 VanDerWaalsContact O-ND2 3.08Å |
| 1919 | R | 72.9 | Confident | 67.3 | Low | 151 Ų | 151 | 101.1 Ų | 101.1 | 57% | 0.57 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -74.2 | -36.4 | 176.1 | -70.6 | 161.5 | -160.7 | -176.4 | 9.2 | 110.7 | E1915 A1916 N1922 A1923 | E1915-R1919 WeakPolarHBondContact O-CB 3.5Å; E1915-R1919 WeakPolarHBondContact O-CD 3.23Å; E1915-R1919 WeakPolarHBondContact O-CG 3.28Å; E1915-R1919 PolarHBondContact O-N 3.3Å; E1915-R1919 IonicContact OE2-CZ 2.78Å; E1915-R1919 IonicContact OE2-NE 3.97Å; E1915-R1919 PolarHBondContact OE2-NE 3.14Å; E1915-R1919 IonicContact OE2-NH2 2.61Å; E1915-R1919 PolarHBondContact OE2-NH2 3.12Å; A1916-R1919 CarbonylContact O-C 3.53Å; A1916-R1919 PolarHBondContact O-N 3.24Å; R1919-N1922 CarbonylContact O-C 3.6Å; R1919-A1923 WeakPolarHBondContact O-CA 3.37Å; R1919-A1923 WeakPolarHBondContact O-CB 3.41Å; R1919-A1923 PolarHBondContact O-N 2.61Å |
| 1920 | E | 69.6 | Low | 66 | Low | 130 Ų | 130 | 106.1 Ų | 106.1 | 61% | 0.607 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -71.1 | -44.7 | 172.1 | -76 | -152 | 125.4 | 0 | 0 | 111.9 | A1916 N1922 A1923 L1924 | A1916-E1920 WeakPolarHBondContact O-CB 3.43Å; A1916-E1920 WeakPolarHBondContact O-CG 3.47Å; A1916-E1920 PolarHBondContact O-N 3.06Å; E1920-N1922 VanDerWaalsContact C-N 3.28Å; E1920-N1922 PolarHBondContact O-N 3.38Å; E1920-A1923 CarbonylContact O-C 3.46Å; E1920-A1923 PolarHBondContact O-N 2.96Å; E1920-A1923 VanDerWaalsContact O-N 3.12Å; E1920-L1924 VanDerWaalsContact O-CB 3.29Å; E1920-L1924 WeakPolarHBondContact O-CB 3.44Å; E1920-L1924 VanDerWaalsContact O-CG 3.25Å; E1920-L1924 WeakPolarHBondContact O-CG 3.31Å; E1920-L1924 PolarHBondContact O-N 3.1Å |
| 1921 | V | 69.9 | Low | 64.3 | Low | 63 Ų | 63 | 106.4 Ų | 106.4 | 38% | 0.382 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.5 | -32.5 | 173.5 | 169.2 | 0 | 0 | 0 | 0 | 110.5 | M1917 K1925 | M1917-V1921 WeakPolarHBondContact O-CA 3.49Å; M1917-V1921 WeakPolarHBondContact O-CB 3.23Å; M1917-V1921 WeakPolarHBondContact O-CG2 3.44Å; M1917-V1921 PolarHBondContact O-N 3.42Å; V1921-K1925 HydrophobicContact CG1-CD 3.84Å; V1921-K1925 VanDerWaalsContact CG1-CE 3.42Å; V1921-K1925 HydrophobicContact CG1-CG 4.37Å; V1921-K1925 WeakPolarHBondContact O-CB 3.45Å; V1921-K1925 WeakPolarHBondContact O-CD 3.48Å; V1921-K1925 WeakPolarHBondContact O-CG 3.43Å; V1921-K1925 PolarHBondContact O-N 2.69Å |
| 1922 | N | 66.2 | Low | 62.4 | Low | 101 Ų | 101 | 109.7 Ų | 109.7 | 54% | 0.54 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -79 | -24.2 | 170.9 | -72.2 | -29.6 | 0 | 0 | 0 | 113.3 | G1918 R1919 E1920 S1926 | G1918-N1922 WeakPolarHBondContact O-CB 3.4Å; G1918-N1922 PolarHBondContact O-N 2.85Å; G1918-N1922 PolarHBondContact O-ND2 3.14Å; G1918-N1922 VanDerWaalsContact O-ND2 3.08Å; R1919-N1922 CarbonylContact O-C 3.6Å; E1920-N1922 VanDerWaalsContact C-N 3.28Å; E1920-N1922 PolarHBondContact O-N 3.38Å; N1922-S1926 WeakPolarHBondContact O-CB 3.26Å; N1922-S1926 PolarHBondContact O-N 3.01Å; N1922-S1926 PolarHBondContact O-OG 2.96Å |
| 1923 | A | 65.2 | Low | 60.5 | Low | 39 Ų | 39 | 110.4 Ų | 110.4 | 32% | 0.322 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -74.5 | -39.4 | 170 | 0 | 0 | 0 | 0 | 0 | 111.3 | R1919 E1920 S1926 K1927 | R1919-A1923 WeakPolarHBondContact O-CA 3.37Å; R1919-A1923 WeakPolarHBondContact O-CB 3.41Å; R1919-A1923 PolarHBondContact O-N 2.61Å; E1920-A1923 CarbonylContact O-C 3.46Å; E1920-A1923 PolarHBondContact O-N 2.96Å; E1920-A1923 VanDerWaalsContact O-N 3.12Å; A1923-S1926 WeakPolarHBondContact CA-OG 3.46Å; A1923-S1926 PolarHBondContact O-N 2.82Å; A1923-S1926 PolarHBondContact O-OG 3.06Å; A1923-S1926 VanDerWaalsContact O-OG 3.12Å; A1923-K1927 VanDerWaalsContact O-CB 3.32Å; A1923-K1927 WeakPolarHBondContact O-CB 3.32Å; A1923-K1927 VanDerWaalsContact O-CG 3.25Å; A1923-K1927 WeakPolarHBondContact O-CG 3.09Å; A1923-K1927 PolarHBondContact O-N 2.81Å |
| 1924 | L | 57.3 | Low | 58.5 | Low | 102 Ų | 102 | 113.1 Ų | 113.1 | 53% | 0.534 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -69.5 | -44.5 | 172.4 | -71.2 | 166.3 | 0 | 0 | 0 | 110.3 | E1920 S1926 K1927 L1928 | E1920-L1924 VanDerWaalsContact O-CB 3.29Å; E1920-L1924 WeakPolarHBondContact O-CB 3.44Å; E1920-L1924 VanDerWaalsContact O-CG 3.25Å; E1920-L1924 WeakPolarHBondContact O-CG 3.31Å; E1920-L1924 PolarHBondContact O-N 3.1Å; L1924-S1926 VanDerWaalsContact C-N 3.35Å; L1924-S1926 PolarHBondContact O-N 2.78Å; L1924-K1927 CarbonylContact O-C 3.33Å; L1924-K1927 PolarHBondContact O-N 3.43Å; L1924-L1928 WeakPolarHBondContact O-CB 3.22Å; L1924-L1928 PolarHBondContact O-N 2.64Å |
| 1925 | K | 59.2 | Low | 56.7 | Low | 112 Ų | 112 | 112.3 Ų | 112.3 | 49% | 0.487 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -65.2 | -32.5 | 171.9 | -74.9 | 167.8 | -177.3 | 167.9 | 0 | 112.6 | V1921 L1928 R1929 | V1921-K1925 HydrophobicContact CG1-CD 3.84Å; V1921-K1925 VanDerWaalsContact CG1-CE 3.42Å; V1921-K1925 HydrophobicContact CG1-CG 4.37Å; V1921-K1925 WeakPolarHBondContact O-CB 3.45Å; V1921-K1925 WeakPolarHBondContact O-CD 3.48Å; V1921-K1925 WeakPolarHBondContact O-CG 3.43Å; V1921-K1925 PolarHBondContact O-N 2.69Å; K1925-L1928 PolarHBondContact O-N 3.38Å; K1925-R1929 WeakPolarHBondContact O-CA 3.44Å; K1925-R1929 WeakPolarHBondContact O-CB 3.43Å; K1925-R1929 VanDerWaalsContact O-CG 3.3Å; K1925-R1929 WeakPolarHBondContact O-CG 3.37Å; K1925-R1929 PolarHBondContact O-N 3.24Å |
| 1926 | S | 52.8 | Low | 54.8 | Low | 62 Ų | 62 | 117 Ų | 117 | 43% | 0.434 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -78.8 | -28.6 | 174.2 | 59.2 | 0 | 0 | 0 | 0 | 113 | N1922 A1923 L1924 R1930 | N1922-S1926 WeakPolarHBondContact O-CB 3.26Å; N1922-S1926 PolarHBondContact O-N 3.01Å; N1922-S1926 PolarHBondContact O-OG 2.96Å; A1923-S1926 WeakPolarHBondContact CA-OG 3.46Å; A1923-S1926 PolarHBondContact O-N 2.82Å; A1923-S1926 PolarHBondContact O-OG 3.06Å; A1923-S1926 VanDerWaalsContact O-OG 3.12Å; L1924-S1926 VanDerWaalsContact C-N 3.35Å; L1924-S1926 PolarHBondContact O-N 2.78Å; S1926-R1930 WeakPolarHBondContact O-CG 3.11Å; S1926-R1930 PolarHBondContact O-N 2.84Å |
| 1927 | K | 55.2 | Low | 52.9 | Low | 169 Ų | 169 | 120.6 Ų | 120.6 | 74% | 0.735 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -68.2 | -33.5 | 165.2 | -75.2 | 173.3 | 179.7 | 178.5 | 0 | 112.3 | A1923 L1924 | A1923-K1927 VanDerWaalsContact O-CB 3.32Å; A1923-K1927 WeakPolarHBondContact O-CB 3.32Å; A1923-K1927 VanDerWaalsContact O-CG 3.25Å; A1923-K1927 WeakPolarHBondContact O-CG 3.09Å; A1923-K1927 PolarHBondContact O-N 2.81Å; L1924-K1927 CarbonylContact O-C 3.33Å; L1924-K1927 PolarHBondContact O-N 3.43Å |
| 1928 | L | 50.6 | Low | 51.2 | Low | 145 Ų | 145 | 121.2 Ų | 121.2 | 76% | 0.759 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -82.2 | -27.2 | 173.9 | -100.3 | 70.4 | 0 | 0 | 0 | 114.4 | L1924 K1925 | L1924-L1928 WeakPolarHBondContact O-CB 3.22Å; L1924-L1928 PolarHBondContact O-N 2.64Å; K1925-L1928 PolarHBondContact O-N 3.38Å |
| 1929 | R | 52.9 | Low | 49.5 | Very low | 212 Ų | 212 | 124.9 Ų | 124.9 | 80% | 0.8 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -97.6 | 4.1 | -178 | -72.6 | -174.8 | 165.2 | -165.8 | -5.5 | 114.8 | K1925 G1931 | K1925-R1929 WeakPolarHBondContact O-CA 3.44Å; K1925-R1929 WeakPolarHBondContact O-CB 3.43Å; K1925-R1929 VanDerWaalsContact O-CG 3.3Å; K1925-R1929 WeakPolarHBondContact O-CG 3.37Å; K1925-R1929 PolarHBondContact O-N 3.24Å; R1929-G1931 PolarHBondContact O-N 3.49Å |
| 1930 | R | 49.5 | Very low | 47.5 | Very low | 235 Ų | 235 | 128.9 Ų | 128.9 | 89% | 0.887 | 66% | 0.663 | S | S | * | * | trans | -82.2 | 59.3 | 161.1 | -76 | -171.5 | 178.6 | -152.3 | 0.7 | 110.4 | S1926 | S1926-R1930 WeakPolarHBondContact O-CG 3.11Å; S1926-R1930 PolarHBondContact O-N 2.84Å | ||
| 1931 | G | 37.6 | Very low | 45.9 | Very low | 60 Ų | 60 | 134.5 Ų | 134.5 | 62% | 0.619 | 68% | 0.679 | S | S | * | * | S | Bend | trans | -144.9 | 81.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 109.8 | R1929 | R1929-G1931 PolarHBondContact O-N 3.49Š|
| 1932 | N | 34.1 | Very low | 44.3 | Very low | 135 Ų | 135 | 137.1 Ų | 137.1 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | S | Bend | trans | 63.3 | 157.2 | 176.2 | -92.9 | 30.8 | 0 | 0 | 0 | 120.2 | ||
| 1933 | E | 35.6 | Very low | 43 | Very low | 148 Ų | 148 | 136.1 Ų | 136.1 | 69% | 0.692 | 71% | 0.713 | S | S | * | * | trans | 59.4 | 97.8 | 154.9 | -73 | 149.1 | -116.9 | 0 | 0 | 117.7 | ||||
| 1934 | T | 34.7 | Very low | 41.5 | Very low | 124 Ų | 124 | 138 Ų | 138 | 76% | 0.761 | 74% | 0.736 | S | S | * | * | 61.1 | 138.6 | 87.8 | 61.7 | 0 | 0 | 0 | 0 | 115 | |||||
| 1935 | S | 34.9 | Very low | 40.5 | Very low | 96 Ų | 96 | 143.7 Ų | 143.7 | 67% | 0.671 | 75% | 0.751 | S | S | * | * | cis | -177.9 | 148.4 | -10 | -100.6 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1936 | F | 34.9 | Very low | 39.4 | Very low | 195 Ų | 195 | 148.6 Ų | 148.6 | 86% | 0.855 | 77% | 0.766 | S | S | * | * | trans | 64.8 | 165.2 | 163.3 | -83 | -120.9 | 0 | 0 | 0 | 117.3 | ||||
| 1937 | V | 33.1 | Very low | 38.6 | Very low | 120 Ų | 120 | 151.1 Ų | 151.1 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | cis | -170.9 | 156.1 | -45.1 | 118 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1938 | P | 38.3 | Very low | 37.8 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 80% | 0.799 | 78% | 0.777 | S | S | * | * | trans | -96.5 | 171.3 | -157.1 | 37.3 | -38.8 | 0 | 0 | 0 | 117.4 | ||||
| 1939 | S | 34.9 | Very low | 37.1 | Very low | 101 Ų | 101 | 149.7 Ų | 149.7 | 71% | 0.706 | 77% | 0.774 | S | S | * | * | trans | -150.9 | 121.7 | 169.8 | -170.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 1940 | R | 30.6 | Very low | 36.4 | Very low | 235 Ų | 235 | 145.4 Ų | 145.4 | 89% | 0.887 | 77% | 0.767 | S | S | * | * | 62.4 | 106.8 | 67.5 | -80.6 | -168.8 | 169.9 | -166.7 | -1.6 | 115.4 | |||||
| 1941 | R | 35.4 | Very low | 35.7 | Very low | 248 Ų | 248 | 137.8 Ų | 137.8 | 94% | 0.936 | 75% | 0.754 | S | S | * | * | trans | 156.6 | 151.9 | 154.5 | -89.9 | 154.4 | -169.3 | -155.2 | 2.2 | 109.7 | ||||
| 1942 | S | 38.1 | Very low | 35.6 | Very low | 118 Ų | 118 | 142.8 Ų | 142.8 | 83% | 0.825 | 77% | 0.766 | S | S | * | * | cis | -165.8 | 137.1 | -9.4 | 178.4 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 1943 | G | 36.9 | Very low | 35.6 | Very low | 80 Ų | 80 | 138.9 Ų | 138.9 | 83% | 0.825 | 76% | 0.758 | S | S | * | * | trans | 76.7 | 150 | 163.2 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 1944 | G | 35.2 | Very low | 35.5 | Very low | 78 Ų | 78 | 137.2 Ų | 137.2 | 80% | 0.804 | 76% | 0.763 | S | S | * | * | cis | 166.1 | 140.9 | -5.7 | 0 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1945 | R | 35.2 | Very low | 35.2 | Very low | 221 Ų | 221 | 139.4 Ų | 139.4 | 83% | 0.834 | 77% | 0.765 | S | S | * | * | 176.2 | 139.2 | 66.7 | 178.8 | -174.9 | -162.6 | -172.6 | 6.8 | 109.3 | |||||
| 1946 | R | 37.7 | Very low | 35 | Very low | 216 Ų | 216 | 143.8 Ų | 143.8 | 82% | 0.815 | 77% | 0.774 | S | S | * | * | trans | 70.8 | 147.2 | 173.9 | -74.7 | 176 | -173.8 | -178.4 | 1.6 | 117.6 | ||||
| 1947 | V | 36.1 | Very low | 34.7 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 69% | 0.691 | 77% | 0.771 | S | S | * | * | cis | -168.8 | 133.4 | -29.8 | 104.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 1948 | I | 37.3 | Very low | 34.5 | Very low | 135 Ų | 135 | 143.5 Ų | 143.5 | 69% | 0.692 | 78% | 0.777 | S | S | * | * | trans | 44.2 | 135 | 140.1 | -60.4 | 173.4 | 0 | 0 | 0 | 118.8 | ||||
| 1949 | E | 36.6 | Very low | 34.2 | Very low | 150 Ų | 150 | 144.2 Ų | 144.2 | 70% | 0.701 | 78% | 0.775 | S | S | * | * | cis | -172.1 | 176 | -10.3 | -107.9 | 163.2 | -120.6 | 0 | 0 | 105.6 | ||||
| 1950 | N | 36.9 | Very low | 34.6 | Very low | 122 Ų | 122 | 144.2 Ų | 144.2 | 65% | 0.652 | 77% | 0.771 | S | S | * | * | cis | -149.1 | 173.6 | 4.8 | -117.5 | -29.8 | 0 | 0 | 0 | 108.6 | ||||
| 1951 | A | 36.4 | Very low | 35.4 | Very low | 74 Ų | 74 | 142.3 Ų | 142.3 | 61% | 0.612 | 76% | 0.764 | S | S | * | * | 44.1 | 133.1 | 80.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 1952 | D | 34.8 | Very low | 35.5 | Very low | 165 Ų | 165 | 134.8 Ų | 134.8 | 88% | 0.882 | 74% | 0.742 | S | S | * | * | cis | -146.7 | 173.6 | -6.5 | -97.4 | -38.4 | 0 | 0 | 0 | 106.4 | ||||
| 1953 | G | 33.8 | Very low | 35.8 | Very low | 54 Ų | 54 | 132.1 Ų | 132.1 | 56% | 0.557 | 73% | 0.727 | S | S | * | * | cis | 113.6 | 129.8 | 27.9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1954 | S | 33.3 | Very low | 36 | Very low | 113 Ų | 113 | 132.6 Ų | 132.6 | 79% | 0.79 | 71% | 0.711 | S | S | * | * | trans | 62.3 | 161.7 | 175.3 | 66.3 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 1955 | E | 29.7 | Very low | 36.4 | Very low | 170 Ų | 170 | 138.8 Ų | 138.8 | 79% | 0.794 | 72% | 0.716 | S | S | * | * | cis | -165.4 | 158.6 | -35.8 | -109 | 156.1 | 174.6 | 0 | 0 | 109.3 | ||||
| 1956 | E | 28.9 | Very low | 36.2 | Very low | 188 Ų | 188 | 134.5 Ų | 134.5 | 88% | 0.879 | 71% | 0.709 | S | S | * | * | trans | 59.9 | -170 | 154.6 | -66.5 | -172 | 160.1 | 0 | 0 | 121.1 | ||||
| 1957 | E | 28.8 | Very low | 36.2 | Very low | 167 Ų | 167 | 125.5 Ų | 125.5 | 78% | 0.78 | 68% | 0.683 | S | S | * | * | trans | -103.4 | 161.7 | -150.8 | -47.9 | 173.3 | 117.4 | 0 | 0 | 114.4 | ||||
| 1958 | T | 30.2 | Very low | 36.4 | Very low | 141 Ų | 141 | 124.3 Ų | 124.3 | 87% | 0.865 | 68% | 0.677 | S | S | * | * | trans | 63.6 | 169.3 | 167.2 | 69.5 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1959 | D | 31.6 | Very low | 36.2 | Very low | 138 Ų | 138 | 123.4 Ų | 123.4 | 74% | 0.738 | 67% | 0.668 | S | S | * | * | cis | -140.9 | -179.2 | -0.6 | -163.1 | -12.4 | 0 | 0 | 0 | 108.6 | ||||
| 1960 | T | 42.8 | Very low | 36.3 | Very low | 102 Ų | 102 | 120.8 Ų | 120.8 | 63% | 0.626 | 67% | 0.672 | S | S | * | * | trans | -64.1 | 153.2 | 171.6 | 58.7 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1961 | R | 46.7 | Very low | 36.3 | Very low | 195 Ų | 195 | 120.2 Ų | 120.2 | 74% | 0.736 | 68% | 0.678 | S | S | * | * | trans | 118.1 | 156.2 | 149.6 | -63.1 | 161.5 | -170.7 | -164.7 | 4.9 | 116.8 | ||||
| 1962 | D | 38.6 | Very low | 36.3 | Very low | 89 Ų | 89 | 129.2 Ų | 129.2 | 48% | 0.476 | 71% | 0.707 | S | S | . | * | trans | 42.4 | 133.8 | 147.8 | -66 | -44.4 | 0 | 0 | 0 | 119.9 | K1969 | D1962-K1969 VanDerWaalsContact N-CG 3.29Å; D1962-K1969 WeakPolarHBondContact OD1-CE 3.18Å; D1962-K1969 WeakPolarHBondContact OD1-CG 3.36Å; D1962-K1969 IonicContact OD1-NZ 3.65Å; D1962-K1969 PolarHBondContact OD1-NZ 2.88Å; D1962-K1969 IonicContact OD2-NZ 2.73Å; D1962-K1969 PolarHBondContact OD2-NZ 2.95Å | ||
| 1963 | A | 45.1 | Very low | 36.4 | Very low | 62 Ų | 62 | 127.4 Ų | 127.4 | 51% | 0.512 | 70% | 0.698 | S | S | . | * | cis | -165.6 | 156.1 | 6.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | G1967 | A1963-G1967 VanDerWaalsContact CB-O 3.26Å; A1963-G1967 WeakPolarHBondContact CB-O 3.02Å | ||
| 1964 | D | 41.3 | Very low | 36.5 | Very low | 91 Ų | 91 | 131.3 Ų | 131.3 | 49% | 0.487 | 71% | 0.705 | S | S | . | * | trans | -66 | 149.2 | 156.9 | 79.9 | 130.2 | 0 | 0 | 0 | 109.7 | N1966 G1967 T1968 | D1964-N1966 CarbonylContact O-C 3.54Å; D1964-N1966 WeakPolarHBondContact O-CA 3.39Å; D1964-N1966 VanDerWaalsContact OD1-O 3.06Å; D1964-G1967 CarbonylContact O-C 3.54Å; D1964-G1967 WeakPolarHBondContact O-CA 3.43Å; D1964-G1967 PolarHBondContact O-N 2.63Å; D1964-G1967 PolarHBondContact OD2-N 2.93Å; D1964-T1968 VanDerWaalsContact N-N 3.17Å; D1964-T1968 PolarHBondContact N-O 2.94Å; D1964-T1968 PolarHBondContact O-N 3.38Å; D1964-T1968 PolarHBondContact OD2-N 3.04Å; D1964-T1968 VanDerWaalsContact OD2-O 3.04Å | ||
| 1965 | F | 43.4 | Very low | 36.7 | Very low | 208 Ų | 208 | 132.3 Ų | 132.3 | 91% | 0.912 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.1 | 92.4 | 179.9 | -169.2 | -92.3 | 0 | 0 | 0 | 110.6 | ||
| 1966 | N | 29.7 | Very low | 37.1 | Very low | 131 Ų | 131 | 130.1 Ų | 130.1 | 70% | 0.701 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | cis | -97.8 | 150.6 | -7.4 | -118.8 | 77.6 | 0 | 0 | 0 | 110.4 | D1964 | D1964-N1966 CarbonylContact O-C 3.54Å; D1964-N1966 WeakPolarHBondContact O-CA 3.39Å; D1964-N1966 VanDerWaalsContact OD1-O 3.06Å |
| 1967 | G | 38.3 | Very low | 37.6 | Very low | 26 Ų | 26 | 126.4 Ų | 126.4 | 27% | 0.268 | 68% | 0.684 | S | S | . | * | S | Bend | cis | -151 | 1.1 | 11.9 | 0 | 0 | 0 | 0 | 0 | 120.2 | A1963 D1964 | A1963-G1967 VanDerWaalsContact CB-O 3.26Å; A1963-G1967 WeakPolarHBondContact CB-O 3.02Å; D1964-G1967 CarbonylContact O-C 3.54Å; D1964-G1967 WeakPolarHBondContact O-CA 3.43Å; D1964-G1967 PolarHBondContact O-N 2.63Å; D1964-G1967 PolarHBondContact OD2-N 2.93Å |
| 1968 | T | 39.9 | Very low | 38.2 | Very low | 90 Ų | 90 | 123.7 Ų | 123.7 | 55% | 0.552 | 68% | 0.677 | S | S | * | * | trans | -160.6 | 147.7 | -160.6 | 32.2 | 0 | 0 | 0 | 0 | 117.6 | D1964 | D1964-T1968 VanDerWaalsContact N-N 3.17Å; D1964-T1968 PolarHBondContact N-O 2.94Å; D1964-T1968 PolarHBondContact O-N 3.38Å; D1964-T1968 PolarHBondContact OD2-N 3.04Å; D1964-T1968 VanDerWaalsContact OD2-O 3.04Å | ||
| 1969 | K | 34.1 | Very low | 38.8 | Very low | 115 Ų | 115 | 122.5 Ų | 122.5 | 50% | 0.5 | 66% | 0.664 | S | S | . | * | trans | -26 | 155.3 | 167.9 | -55.6 | 167.7 | -176.8 | 78.6 | 0 | 121.2 | D1962 | D1962-K1969 VanDerWaalsContact N-CG 3.29Å; D1962-K1969 WeakPolarHBondContact OD1-CE 3.18Å; D1962-K1969 WeakPolarHBondContact OD1-CG 3.36Å; D1962-K1969 IonicContact OD1-NZ 3.65Å; D1962-K1969 PolarHBondContact OD1-NZ 2.88Å; D1962-K1969 IonicContact OD2-NZ 2.73Å; D1962-K1969 PolarHBondContact OD2-NZ 2.95Å | ||
| 1970 | A | 38.5 | Very low | 39.3 | Very low | 96 Ų | 96 | 121.3 Ų | 121.3 | 79% | 0.793 | 66% | 0.658 | S | S | * | * | 128.9 | 163.7 | 124.8 | 0 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 1971 | S | 36.1 | Very low | 39 | Very low | 110 Ų | 110 | 122.9 Ų | 122.9 | 77% | 0.769 | 66% | 0.661 | S | S | * | * | trans | -54 | 166.6 | -175.9 | 50.7 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 1972 | E | 36.8 | Very low | 38.4 | Very low | 262 Ų | 262 | 116.4 Ų | 116.4 | 100% | 1.224 | 65% | 0.654 | S | S | * | * | cis | -129.2 | 0 | 25.1 | -68.2 | 169.8 | 146.6 | 0 | 0 | 114.8 |
Retrieved 1,972 of 1,972 residues in 987.4 ms
(Link to these results)