| 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 | 33.9 | Very low | 29.4 | Very low | 240 Ų | 240 | 159.7 Ų | 159.7 | 100% | 1.182 | 87% | 0.867 | S | S | * | * | 0 | 91.4 | 0 | -156.4 | 167.8 | -170.6 | 0 | 0 | 106.7 | |||||
| 2 | C | 26.1 | Very low | 30.2 | Very low | 137 Ų | 137 | 157.7 Ų | 157.7 | 93% | 0.926 | 85% | 0.853 | S | S | * | * | trans | -129.6 | 127.7 | -179.6 | -74.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 3 | I | 29.7 | Very low | 30.6 | Very low | 154 Ų | 154 | 151 Ų | 151 | 79% | 0.79 | 83% | 0.825 | S | S | * | * | trans | -100.1 | 129.4 | -177 | -72.4 | 171.8 | 0 | 0 | 0 | 108.4 | ||||
| 4 | W | 29.8 | Very low | 31 | Very low | 238 Ų | 238 | 150.8 Ų | 150.8 | 90% | 0.902 | 82% | 0.816 | S | S | * | * | trans | 45.8 | 123.5 | 152.1 | -78.4 | 59.7 | 0 | 0 | 0 | 122 | ||||
| 5 | S | 26.3 | Very low | 31.5 | Very low | 122 Ų | 122 | 146.5 Ų | 146.5 | 85% | 0.853 | 80% | 0.799 | S | S | * | * | -156.6 | 124.1 | 124.2 | -175.3 | 0 | 0 | 0 | 0 | 110.1 | |||||
| 6 | G | 28.6 | Very low | 31.7 | Very low | 65 Ų | 65 | 145.3 Ų | 145.3 | 67% | 0.67 | 79% | 0.786 | S | S | * | * | trans | -77.1 | 153.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 7 | R | 27.8 | Very low | 31.8 | Very low | 245 Ų | 245 | 147.4 Ų | 147.4 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | trans | -132.2 | 115.6 | 164.4 | -156.6 | 177.5 | -103 | -157.4 | -3.8 | 109.2 | ||||
| 8 | S | 28.3 | Very low | 32.1 | Very low | 115 Ų | 115 | 148.7 Ų | 148.7 | 80% | 0.804 | 77% | 0.772 | S | S | * | * | P | Polyproline II helix | trans | -62.6 | 134.4 | 177.4 | 28.3 | 0 | 0 | 0 | 0 | 112 | ||
| 9 | Q | 30 | Very low | 32.4 | Very low | 179 Ų | 179 | 149.4 Ų | 149.4 | 84% | 0.836 | 77% | 0.769 | S | S | * | * | P | Polyproline II helix | trans | -75.5 | 139.9 | 163.7 | -77.3 | 177.9 | -20.1 | 0 | 0 | 109.5 | T11 | Q9-T11 PolarHBondContact O-N 3.28Š|
| 10 | P | 30.6 | Very low | 32.5 | Very low | 123 Ų | 123 | 144.5 Ų | 144.5 | 80% | 0.799 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 117.9 | 174.8 | 28.7 | -29.5 | 0 | 0 | 0 | 110.3 | I12 | P10-I12 PolarHBondContact O-N 3.3Š|
| 11 | T | 32.4 | Very low | 32.7 | Very low | 139 Ų | 139 | 142.7 Ų | 142.7 | 85% | 0.853 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -71 | 117.3 | 168.2 | 35.4 | 0 | 0 | 0 | 0 | 109.8 | Q9 S13 | Q9-T11 PolarHBondContact O-N 3.28Å; T11-S13 PolarHBondContact O-N 3.44Å |
| 12 | I | 39.3 | Very low | 33 | Very low | 135 Ų | 135 | 135 Ų | 135 | 69% | 0.692 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -72.6 | 124.5 | 173.2 | -62.2 | 171.7 | 0 | 0 | 0 | 108.1 | P10 Q16 | P10-I12 PolarHBondContact O-N 3.3Å; I12-Q16 HydrophobicContact CG2-CB 4.06Å |
| 13 | S | 35.2 | Very low | 33.4 | Very low | 71 Ų | 71 | 132.2 Ų | 132.2 | 50% | 0.497 | 69% | 0.688 | S | S | . | * | P | Polyproline II helix | trans | -71.3 | 140.9 | -179.6 | 59.7 | 0 | 0 | 0 | 0 | 112.3 | T11 P15 Q16 | T11-S13 PolarHBondContact O-N 3.44Å; S13-P15 VanDerWaalsContact C-N 3.33Å; S13-P15 VanDerWaalsContact O-N 3.16Å; S13-Q16 PolarHBondContact O-N 3.14Å |
| 14 | E | 36.5 | Very low | 33.4 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 69% | 0.692 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -48.1 | -32.7 | -178.7 | -145.7 | 156 | -167 | 0 | 0 | 116.8 | Q16 R17 R18 | E14-Q16 VanDerWaalsContact C-N 3.35Å; E14-Q16 PolarHBondContact O-N 3.42Å; E14-R17 PolarHBondContact O-N 3.39Å; E14-R18 PolarHBondContact O-N 3.35Å |
| 15 | P | 38.2 | Very low | 33.9 | Very low | 86 Ų | 86 | 126.6 Ų | 126.6 | 56% | 0.558 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -70.2 | -23.1 | 173.1 | 23.3 | -32.6 | 0 | 0 | 0 | 114.6 | S13 K19 | S13-P15 VanDerWaalsContact C-N 3.33Å; S13-P15 VanDerWaalsContact O-N 3.16Å; P15-K19 PolarHBondContact O-N 3.49Å |
| 16 | Q | 34.6 | Very low | 34.4 | Very low | 127 Ų | 127 | 125.9 Ų | 125.9 | 59% | 0.593 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -77.6 | -31.2 | 173.1 | -75.8 | -150.8 | -31 | 0 | 0 | 112.6 | I12 S13 E14 K19 A20 | I12-Q16 HydrophobicContact CG2-CB 4.06Å; S13-Q16 PolarHBondContact O-N 3.14Å; E14-Q16 VanDerWaalsContact C-N 3.35Å; E14-Q16 PolarHBondContact O-N 3.42Å; Q16-K19 PolarHBondContact O-N 3.45Å; Q16-A20 PolarHBondContact O-N 3.32Å |
| 17 | R | 33 | Very low | 34.7 | Very low | 182 Ų | 182 | 125.9 Ų | 125.9 | 69% | 0.687 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -65.3 | -41.2 | 174.4 | -152 | -177.5 | -125.9 | -153.8 | 2.1 | 111.2 | E14 K19 A20 E21 | E14-R17 PolarHBondContact O-N 3.39Å; R17-K19 PolarHBondContact O-N 3.33Å; R17-A20 PolarHBondContact O-N 3.44Å; R17-E21 PolarHBondContact O-N 3.43Å |
| 18 | R | 36.6 | Very low | 34.8 | Very low | 171 Ų | 171 | 115.9 Ų | 115.9 | 65% | 0.645 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -62.4 | -41.3 | 174.7 | -107.2 | -176 | -84 | -154.5 | -5.4 | 113.3 | E14 E21 T22 | E14-R18 PolarHBondContact O-N 3.35Å; R18-E21 PolarHBondContact O-N 3.28Å; R18-T22 PolarHBondContact O-N 3.42Å; R18-T22 PolarHBondContact O-OG1 3.05Å |
| 19 | K | 37.8 | Very low | 35.1 | Very low | 162 Ų | 162 | 118.7 Ų | 118.7 | 70% | 0.704 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -66 | -35.9 | 174.2 | -78.4 | -175.3 | 177.1 | -178.5 | 0 | 112.8 | P15 Q16 R17 S23 | P15-K19 PolarHBondContact O-N 3.49Å; Q16-K19 PolarHBondContact O-N 3.45Å; R17-K19 PolarHBondContact O-N 3.33Å; K19-S23 VanDerWaalsContact O-CB 3.24Å; K19-S23 WeakPolarHBondContact O-CB 3.49Å; K19-S23 PolarHBondContact O-N 3.14Å |
| 20 | A | 35.7 | Very low | 35.3 | Very low | 50 Ų | 50 | 114.9 Ų | 114.9 | 41% | 0.413 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -70.4 | -34.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | Q16 R17 K24 | Q16-A20 PolarHBondContact O-N 3.32Å; R17-A20 PolarHBondContact O-N 3.44Å; A20-K24 WeakPolarHBondContact O-CB 3.48Å; A20-K24 VanDerWaalsContact O-CG 3.3Å; A20-K24 WeakPolarHBondContact O-CG 3.42Å; A20-K24 PolarHBondContact O-N 3.08Å |
| 21 | E | 36.3 | Very low | 35.3 | Very low | 108 Ų | 108 | 115.8 Ų | 115.8 | 51% | 0.505 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -74.5 | -40.4 | 174.9 | -78.6 | 175.4 | 158.6 | 0 | 0 | 112.7 | R17 R18 S23 K24 I25 | R17-E21 PolarHBondContact O-N 3.43Å; R18-E21 PolarHBondContact O-N 3.28Å; E21-S23 VanDerWaalsContact C-N 3.34Å; E21-S23 PolarHBondContact O-N 3.12Å; E21-K24 PolarHBondContact O-N 3.18Å; E21-I25 VanDerWaalsContact O-CG1 3.25Å; E21-I25 WeakPolarHBondContact O-CG1 3.19Å; E21-I25 PolarHBondContact O-N 3.33Å |
| 22 | T | 40.2 | Very low | 35.2 | Very low | 79 Ų | 79 | 118.8 Ų | 118.8 | 49% | 0.485 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65 | -38.8 | 173.3 | 10.4 | 0 | 0 | 0 | 0 | 111.7 | R18 K24 I25 I26 | R18-T22 PolarHBondContact O-N 3.42Å; R18-T22 PolarHBondContact O-OG1 3.05Å; T22-K24 VanDerWaalsContact C-N 3.35Å; T22-I25 PolarHBondContact O-N 3.07Å; T22-I26 WeakPolarHBondContact O-CB 3.4Å; T22-I26 WeakPolarHBondContact O-CD1 3.39Å; T22-I26 VanDerWaalsContact O-CG1 3.24Å; T22-I26 WeakPolarHBondContact O-CG1 3.49Å; T22-I26 PolarHBondContact O-N 3.31Å |
| 23 | S | 33.5 | Very low | 35.1 | Very low | 77 Ų | 77 | 119.7 Ų | 119.7 | 54% | 0.538 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -63.8 | -38.6 | 173.7 | -174.3 | 0 | 0 | 0 | 0 | 112 | K19 E21 S27 | K19-S23 VanDerWaalsContact O-CB 3.24Å; K19-S23 WeakPolarHBondContact O-CB 3.49Å; K19-S23 PolarHBondContact O-N 3.14Å; E21-S23 VanDerWaalsContact C-N 3.34Å; E21-S23 PolarHBondContact O-N 3.12Å; S23-S27 WeakPolarHBondContact O-CB 3.38Å; S23-S27 PolarHBondContact O-N 2.96Å |
| 24 | K | 31.4 | Very low | 35.4 | Very low | 160 Ų | 160 | 121.6 Ų | 121.6 | 70% | 0.696 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -70.3 | -33.8 | 174.2 | -78.7 | 176.6 | 179.6 | -178.8 | 0 | 113.4 | A20 E21 T22 G28 | A20-K24 WeakPolarHBondContact O-CB 3.48Å; A20-K24 VanDerWaalsContact O-CG 3.3Å; A20-K24 WeakPolarHBondContact O-CG 3.42Å; A20-K24 PolarHBondContact O-N 3.08Å; E21-K24 PolarHBondContact O-N 3.18Å; T22-K24 VanDerWaalsContact C-N 3.35Å; K24-G28 WeakPolarHBondContact O-CA 3.33Å; K24-G28 PolarHBondContact O-N 3.31Å |
| 25 | I | 39.3 | Very low | 35 | Very low | 115 Ų | 115 | 117.3 Ų | 117.3 | 59% | 0.59 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -71.3 | -43.1 | 176 | -67.9 | 164.2 | 0 | 0 | 0 | 110.6 | E21 T22 G28 F29 | E21-I25 VanDerWaalsContact O-CG1 3.25Å; E21-I25 WeakPolarHBondContact O-CG1 3.19Å; E21-I25 PolarHBondContact O-N 3.33Å; T22-I25 PolarHBondContact O-N 3.07Å; I25-G28 PolarHBondContact O-N 3.34Å; I25-F29 WeakPolarHBondContact O-CB 3.37Å; I25-F29 PolarHBondContact O-N 3.47Å |
| 26 | I | 37.7 | Very low | 34.5 | Very low | 106 Ų | 106 | 117.9 Ų | 117.9 | 54% | 0.544 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -65.1 | -42.6 | 175.2 | -66.5 | 165 | 0 | 0 | 0 | 110.6 | T22 G28 F29 L30 | T22-I26 WeakPolarHBondContact O-CB 3.4Å; T22-I26 WeakPolarHBondContact O-CD1 3.39Å; T22-I26 VanDerWaalsContact O-CG1 3.24Å; T22-I26 WeakPolarHBondContact O-CG1 3.49Å; T22-I26 PolarHBondContact O-N 3.31Å; I26-G28 VanDerWaalsContact C-N 3.35Å; I26-F29 PolarHBondContact O-N 3.36Å; I26-L30 HydrophobicContact CG2-CD1 4.17Å; I26-L30 WeakPolarHBondContact O-CB 3.27Å; I26-L30 PolarHBondContact O-N 3.38Å; I26-L30 VanDerWaalsContact O-N 3.07Å |
| 27 | S | 34.7 | Very low | 34.6 | Very low | 65 Ų | 65 | 122.1 Ų | 122.1 | 46% | 0.455 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -68.4 | -33.8 | 176 | -153.6 | 0 | 0 | 0 | 0 | 111.9 | S23 L30 F31 | S23-S27 WeakPolarHBondContact O-CB 3.38Å; S23-S27 PolarHBondContact O-N 2.96Å; S27-L30 PolarHBondContact O-N 3.24Å; S27-F31 VanDerWaalsContact O-CB 3.32Å; S27-F31 WeakPolarHBondContact O-CB 3.48Å; S27-F31 PolarHBondContact O-N 3.4Å |
| 28 | G | 28.9 | Very low | 34.5 | Very low | 35 Ų | 35 | 118.8 Ų | 118.8 | 36% | 0.361 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -71 | -36.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | K24 I25 I26 F31 F32 | K24-G28 WeakPolarHBondContact O-CA 3.33Å; K24-G28 PolarHBondContact O-N 3.31Å; I25-G28 PolarHBondContact O-N 3.34Å; I26-G28 VanDerWaalsContact C-N 3.35Å; G28-F31 PolarHBondContact O-N 3.28Å; G28-F32 PolarHBondContact O-N 3.39Å |
| 29 | F | 34.6 | Very low | 34.4 | Very low | 175 Ų | 175 | 116.6 Ų | 116.6 | 77% | 0.768 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -69.2 | -35.3 | 173.3 | -139.9 | -92 | 0 | 0 | 0 | 111.5 | I25 I26 | I25-F29 WeakPolarHBondContact O-CB 3.37Å; I25-F29 PolarHBondContact O-N 3.47Å; I26-F29 PolarHBondContact O-N 3.36Å |
| 30 | L | 33.8 | Very low | 34.2 | Very low | 99 Ų | 99 | 120.2 Ų | 120.2 | 52% | 0.518 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -70.7 | -36 | 170 | -85.4 | 155.1 | 0 | 0 | 0 | 112.5 | I26 S27 Q33 F34 | I26-L30 HydrophobicContact CG2-CD1 4.17Å; I26-L30 WeakPolarHBondContact O-CB 3.27Å; I26-L30 PolarHBondContact O-N 3.38Å; I26-L30 VanDerWaalsContact O-N 3.07Å; S27-L30 PolarHBondContact O-N 3.24Å; L30-Q33 PolarHBondContact O-N 2.85Å; L30-F34 WeakPolarHBondContact O-CD2 3.26Å; L30-F34 PolarHBondContact O-N 2.96Å |
| 31 | F | 32.3 | Very low | 34.2 | Very low | 141 Ų | 141 | 121.7 Ų | 121.7 | 62% | 0.618 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -71.7 | -31.5 | 178.2 | -121.9 | -92.2 | 0 | 0 | 0 | 113.1 | S27 G28 Q33 F34 | S27-F31 VanDerWaalsContact O-CB 3.32Å; S27-F31 WeakPolarHBondContact O-CB 3.48Å; S27-F31 PolarHBondContact O-N 3.4Å; G28-F31 PolarHBondContact O-N 3.28Å; F31-Q33 PolarHBondContact O-N 3.02Å; F31-F34 CarbonylContact O-C 3.56Å; F31-F34 VanDerWaalsContact O-C 3.29Å; F31-F34 PolarHBondContact O-N 3.45Å |
| 32 | F | 30.4 | Very low | 34.5 | Very low | 202 Ų | 202 | 122.9 Ų | 122.9 | 89% | 0.886 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.7 | -17.8 | 178.8 | -132.5 | -92.8 | 0 | 0 | 0 | 113.1 | G28 | G28-F32 PolarHBondContact O-N 3.39Š|
| 33 | Q | 37.5 | Very low | 35 | Very low | 154 Ų | 154 | 124.3 Ų | 124.3 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92.4 | -14.2 | 169.3 | -96.7 | -109.9 | -39.4 | 0 | 0 | 113.6 | L30 F31 | L30-Q33 PolarHBondContact O-N 2.85Å; F31-Q33 PolarHBondContact O-N 3.02Å |
| 34 | F | 39.5 | Very low | 36.7 | Very low | 111 Ų | 111 | 129 Ų | 129 | 49% | 0.487 | 69% | 0.691 | S | S | . | * | S | Bend | trans | -123.1 | 82 | -177.6 | -78.8 | -83.2 | 0 | 0 | 0 | 111.2 | L30 F31 P150 | L30-F34 WeakPolarHBondContact O-CD2 3.26Å; L30-F34 PolarHBondContact O-N 2.96Å; F31-F34 CarbonylContact O-C 3.56Å; F31-F34 VanDerWaalsContact O-C 3.29Å; F31-F34 PolarHBondContact O-N 3.45Å; F34-P150 HydrophobicContact CZ-CB 4.27Å |
| 35 | G | 28.1 | Very low | 39 | Very low | 58 Ų | 58 | 123.4 Ų | 123.4 | 60% | 0.598 | 67% | 0.674 | S | S | * | * | trans | 53.5 | 104.5 | 149.5 | 0 | 0 | 0 | 0 | 0 | 117.8 | K37 | G35-K37 PolarHBondContact O-N 3.44Š| ||
| 36 | S | 29.2 | Very low | 41.2 | Very low | 98 Ų | 98 | 118.6 Ų | 118.6 | 69% | 0.685 | 65% | 0.65 | S | S | * | * | trans | -56.8 | 133.5 | 150.4 | 66.2 | 0 | 0 | 0 | 0 | 108.9 | T38 | S36-T38 PolarHBondContact O-N 3.07Å; S36-T38 PolarHBondContact OG-OG1 2.89Å | ||
| 37 | K | 36.4 | Very low | 43.4 | Very low | 217 Ų | 217 | 115.9 Ų | 115.9 | 94% | 0.943 | 64% | 0.641 | S | S | * | * | trans | -68 | 87.4 | 164.4 | -85.9 | -178.1 | 174.6 | 178.4 | 0 | 107.9 | G35 | G35-K37 PolarHBondContact O-N 3.44Š| ||
| 38 | T | 30.9 | Very low | 45.8 | Very low | 111 Ų | 111 | 114.4 Ų | 114.4 | 68% | 0.681 | 63% | 0.628 | S | S | * | * | trans | -119.5 | 120.5 | 157.5 | 38 | 0 | 0 | 0 | 0 | 108.3 | S36 R40 | S36-T38 PolarHBondContact O-N 3.07Å; S36-T38 PolarHBondContact OG-OG1 2.89Å; T38-R40 PolarHBondContact O-N 3.22Å | ||
| 39 | S | 35 | Very low | 48.4 | Very low | 126 Ų | 126 | 115.6 Ų | 115.6 | 88% | 0.881 | 63% | 0.634 | S | S | * | * | trans | -58.4 | 102.6 | 176.9 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 40 | R | 33.5 | Very low | 50.8 | Low | 237 Ų | 237 | 111 Ų | 111 | 89% | 0.894 | 62% | 0.615 | S | S | * | * | S | Bend | trans | -170.8 | 106.1 | 155.3 | -106 | 169.9 | -163.4 | -178.8 | 4.8 | 109.7 | T38 T42 | T38-R40 PolarHBondContact O-N 3.22Å; R40-T42 PolarHBondContact O-N 3.44Å |
| 41 | G | 35.8 | Very low | 53.3 | Low | 81 Ų | 81 | 106.2 Ų | 106.2 | 84% | 0.835 | 59% | 0.59 | S | S | * | * | trans | 56.8 | 51.9 | 155.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | V43 | G41-V43 PolarHBondContact O-N 2.7Š| ||
| 42 | T | 41.1 | Very low | 55.9 | Low | 133 Ų | 133 | 103.3 Ų | 103.3 | 82% | 0.816 | 58% | 0.576 | S | S | * | * | trans | -75.1 | 113.1 | 166.3 | 11.2 | 0 | 0 | 0 | 0 | 109.7 | R40 M44 | R40-T42 PolarHBondContact O-N 3.44Å; T42-M44 PolarHBondContact O-N 3.22Å | ||
| 43 | V | 51.8 | Low | 58.7 | Low | 110 Ų | 110 | 103 Ų | 103 | 67% | 0.667 | 57% | 0.569 | S | S | * | * | trans | -57 | 110.8 | 165.8 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | G41 F259 | G41-V43 PolarHBondContact O-N 2.7Å; V43-F259 HydrophobicContact CB-CE1 4.45Å; V43-F259 HydrophobicContact CB-CZ 4.49Å; V43-F259 HydrophobicContact CG1-CE1 4.49Å | ||
| 44 | M | 68.8 | Low | 61.3 | Low | 175 Ų | 175 | 101 Ų | 101 | 86% | 0.862 | 56% | 0.555 | S | S | * | * | P | Polyproline II helix | trans | -59.8 | 140.2 | 177.7 | -79.4 | -170.7 | -119.3 | 0 | 0 | 109.8 | T42 | T42-M44 PolarHBondContact O-N 3.22Š|
| 45 | A | 80.1 | Confident | 63.7 | Low | 43 Ų | 43 | 100.3 Ų | 100.3 | 36% | 0.355 | 55% | 0.549 | S | S | . | . | P | Polyproline II helix | trans | -54 | 142.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 109.9 | S47 | A45-S47 PolarHBondContact O-N 3.49Š|
| 46 | P | 84.3 | Confident | 66.8 | Low | 13 Ų | 13 | 104.5 Ų | 104.5 | 8% | 0.084 | 55% | 0.547 | C | S | . | . | P | Polyproline II helix | trans | -53.7 | 141.1 | 176.7 | -22.5 | 32.2 | 0 | 0 | 0 | 111 | Q50 L260 W262 P263 G264 | P46-Q50 HydrophobicContact CB-CB 4.43Å; P46-L260 WeakPolarHBondContact CG-O 3.41Å; P46-W262 WeakPolarHBondContact CD-O 3.16Å; P46-P263 VanDerWaalsContact O-CA 3.25Å; P46-P263 WeakPolarHBondContact O-CA 3.18Å; P46-G264 PolarHBondContact O-N 3.31Å |
| 47 | S | 84.9 | Confident | 69.9 | Low | 50 Ų | 50 | 106.4 Ų | 106.4 | 35% | 0.35 | 54% | 0.539 | S | S | . | . | P | Polyproline II helix | trans | -72.6 | 157.5 | 173.8 | 68.8 | 0 | 0 | 0 | 0 | 111 | A45 A49 Q50 A51 | A45-S47 PolarHBondContact O-N 3.49Å; S47-A49 PolarHBondContact O-N 3.42Å; S47-Q50 WeakPolarHBondContact O-CB 3.34Å; S47-Q50 PolarHBondContact O-N 2.99Å; S47-Q50 PolarHBondContact OG-N 3.1Å; S47-A51 PolarHBondContact O-N 3.42Å; S47-A51 VanDerWaalsContact O-N 3.08Å |
| 48 | L | 84.2 | Confident | 72.7 | Confident | 33 Ų | 33 | 96.1 Ų | 96.1 | 17% | 0.173 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -55 | -39.3 | 176.5 | -172.2 | 63.1 | 0 | 0 | 0 | 111.5 | Q50 A51 Y52 P263 E265 F267 | L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-Q50 PolarHBondContact O-N 2.9Å; L48-A51 WeakPolarHBondContact O-CB 3.47Å; L48-A51 PolarHBondContact O-N 3.46Å; L48-A51 VanDerWaalsContact O-N 3.17Å; L48-Y52 HydrophobicContact CD1-CD2 4.19Å; L48-Y52 HydrophobicContact CD1-CE2 3.94Å; L48-Y52 HydrophobicContact CD2-CE2 4.27Å; L48-Y52 HydrophobicContact CG-CD2 3.96Å; L48-Y52 HydrophobicContact CG-CE2 3.84Å; L48-Y52 WeakPolarHBondContact O-CD2 3.46Å; L48-Y52 PolarHBondContact O-N 3.27Å; L48-P263 HydrophobicContact CD1-CB 4.49Å; L48-P263 HydrophobicContact CD1-CG 4.17Å; L48-E265 WeakPolarHBondContact CB-OE2 3.48Å; L48-F267 HydrophobicContact CD1-CD1 3.78Å; L48-F267 HydrophobicContact CD1-CE1 4.06Å |
| 49 | A | 83.4 | Confident | 75.6 | Confident | 60 Ų | 60 | 91 Ų | 91 | 50% | 0.496 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.6 | -35.3 | 176 | 0 | 0 | 0 | 0 | 0 | 113.8 | S47 R53 | S47-A49 PolarHBondContact O-N 3.42Å; A49-R53 PolarHBondContact O-N 3.11Å |
| 50 | Q | 85.5 | Confident | 78.5 | Confident | 78 Ų | 78 | 88.6 Ų | 88.6 | 36% | 0.364 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -69.1 | -40.9 | 173.3 | -71.4 | 175.2 | -4.7 | 0 | 0 | 111.3 | P46 S47 L48 Y52 R53 R54 | P46-Q50 HydrophobicContact CB-CB 4.43Å; S47-Q50 WeakPolarHBondContact O-CB 3.34Å; S47-Q50 PolarHBondContact O-N 2.99Å; S47-Q50 PolarHBondContact OG-N 3.1Å; L48-Q50 VanDerWaalsContact C-N 3.34Å; L48-Q50 PolarHBondContact O-N 2.9Å; Q50-Y52 PolarHBondContact O-N 3.11Å; Q50-R53 PolarHBondContact O-N 3.28Å; Q50-R54 PolarHBondContact O-N 2.72Å |
| 51 | A | 86.5 | Confident | 81.4 | Confident | 0 Ų | 0 | 78 Ų | 78 | 0% | 0 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.4 | -43.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | S47 L48 R53 R54 R55 M58 M204 P263 | S47-A51 PolarHBondContact O-N 3.42Å; S47-A51 VanDerWaalsContact O-N 3.08Å; L48-A51 WeakPolarHBondContact O-CB 3.47Å; L48-A51 PolarHBondContact O-N 3.46Å; L48-A51 VanDerWaalsContact O-N 3.17Å; A51-R53 VanDerWaalsContact C-N 3.31Å; A51-R53 PolarHBondContact O-N 2.97Å; A51-R54 CarbonylContact O-C 3.29Å; A51-R54 VanDerWaalsContact O-C 3.32Å; A51-R54 WeakPolarHBondContact O-CA 3.42Å; A51-R54 PolarHBondContact O-N 3.4Å; A51-R55 PolarHBondContact O-N 2.9Å; A51-M58 HydrophobicContact CB-CE 4.41Å; A51-M58 HydrophobicContact CB-SD 3.89Å; A51-M204 VanDerWaalsContact C-CE 3.48Å; A51-M204 HydrophobicContact CB-CE 4.3Å; A51-M204 WeakPolarHBondContact O-CE 3.17Å; A51-P263 HydrophobicContact CB-CB 4.07Å; A51-P263 HydrophobicContact CB-CG 3.81Å |
| 52 | Y | 86.8 | Confident | 84.2 | Confident | 79 Ų | 79 | 74.1 Ų | 74.1 | 31% | 0.31 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -58 | -39.4 | 175 | -92.6 | -87.3 | 0 | 0 | 0 | 113.4 | L48 Q50 R54 R55 M204 | L48-Y52 HydrophobicContact CD1-CD2 4.19Å; L48-Y52 HydrophobicContact CD1-CE2 3.94Å; L48-Y52 HydrophobicContact CD2-CE2 4.27Å; L48-Y52 HydrophobicContact CG-CD2 3.96Å; L48-Y52 HydrophobicContact CG-CE2 3.84Å; L48-Y52 WeakPolarHBondContact O-CD2 3.46Å; L48-Y52 PolarHBondContact O-N 3.27Å; Q50-Y52 PolarHBondContact O-N 3.11Å; Y52-R54 VanDerWaalsContact C-N 3.27Å; Y52-R54 PolarHBondContact O-N 2.92Å; Y52-R55 WeakPolarHBondContact O-CB 3.42Å; Y52-R55 WeakPolarHBondContact O-CG 3.34Å; Y52-R55 PolarHBondContact O-N 3.22Å; Y52-M204 HydrophobicContact CD1-CB 4.32Å; Y52-M204 HydrophobicContact CD1-CE 4Å; Y52-M204 HydrophobicContact CD2-CE 3.9Å; Y52-M204 HydrophobicContact CE1-CB 3.81Å; Y52-M204 HydrophobicContact CE1-CE 4.37Å; Y52-M204 HydrophobicContact CE1-CG 4.13Å; Y52-M204 HydrophobicContact CE2-CE 4.28Å; Y52-M204 HydrophobicContact CE2-CG 4.31Å; Y52-M204 HydrophobicContact CG-CE 3.75Å |
| 53 | R | 88.4 | Confident | 86.8 | Confident | 197 Ų | 197 | 69.7 Ų | 69.7 | 74% | 0.743 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -65.3 | -30.4 | 174 | -74.7 | -174.5 | -79.5 | -163.7 | -3.3 | 112.8 | A49 Q50 A51 | A49-R53 PolarHBondContact O-N 3.11Å; Q50-R53 PolarHBondContact O-N 3.28Å; A51-R53 VanDerWaalsContact C-N 3.31Å; A51-R53 PolarHBondContact O-N 2.97Å |
| 54 | R | 92.3 | Very high | 88.9 | Confident | 112 Ų | 112 | 68.4 Ų | 68.4 | 42% | 0.423 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | 11.6 | 179.9 | -61.6 | -175.5 | -176.4 | 171.9 | 4.1 | 113.9 | Q50 A51 Y52 W56 W57 M58 L260 N261 | Q50-R54 PolarHBondContact O-N 2.72Å; A51-R54 CarbonylContact O-C 3.29Å; A51-R54 VanDerWaalsContact O-C 3.32Å; A51-R54 WeakPolarHBondContact O-CA 3.42Å; A51-R54 PolarHBondContact O-N 3.4Å; Y52-R54 VanDerWaalsContact C-N 3.27Å; Y52-R54 PolarHBondContact O-N 2.92Å; R54-W56 VanDerWaalsContact C-N 3.26Å; R54-W56 PolarHBondContact O-N 3.26Å; R54-W56 VanDerWaalsContact O-N 3.09Å; R54-W57 WeakPolarHBondContact O-CB 3.46Å; R54-W57 PolarHBondContact O-N 3.37Å; R54-M58 HydrophobicContact CB-CG 4.48Å; R54-M58 WeakPolarHBondContact O-CG 3.43Å; R54-M58 PolarHBondContact O-N 2.98Å; R54-L260 PolarHBondContact NH1-O 3.09Å; R54-N261 VanDerWaalsContact CD-OD1 3.23Å; R54-N261 WeakPolarHBondContact CD-OD1 3.23Å; R54-N261 PolarHBondContact NH1-OD1 3.29Å |
| 55 | R | 91.4 | Very high | 90.2 | Very high | 95 Ų | 95 | 60.5 Ų | 60.5 | 36% | 0.358 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -53 | -38.7 | -170.9 | 67.8 | -176.6 | 176.8 | 179.2 | -4.4 | 114.4 | A51 Y52 M58 A59 M204 F205 | A51-R55 PolarHBondContact O-N 2.9Å; Y52-R55 WeakPolarHBondContact O-CB 3.42Å; Y52-R55 WeakPolarHBondContact O-CG 3.34Å; Y52-R55 PolarHBondContact O-N 3.22Å; R55-M58 PolarHBondContact O-N 3.09Å; R55-A59 WeakPolarHBondContact O-CB 2.95Å; R55-A59 PolarHBondContact O-N 2.96Å; R55-M204 HydrophobicContact CB-CE 3.74Å; R55-F205 HydrophobicContact CB-CE1 4.36Å; R55-F205 HydrophobicContact CB-CE2 4.19Å; R55-F205 HydrophobicContact CB-CZ 3.82Å; R55-F205 HydrophobicContact CG-CE1 3.92Å; R55-F205 HydrophobicContact CG-CZ 3.87Å; R55-F205 WeakPolarHBondContact O-CZ 3.11Å |
| 56 | W | 92.8 | Very high | 90.9 | Very high | 147 Ų | 147 | 58.4 Ų | 58.4 | 56% | 0.557 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -69.5 | -42.5 | 179.2 | -76.9 | 118.1 | 0 | 0 | 0 | 112.5 | R54 M58 A59 V60 F205 I208 | R54-W56 VanDerWaalsContact C-N 3.26Å; R54-W56 PolarHBondContact O-N 3.26Å; R54-W56 VanDerWaalsContact O-N 3.09Å; W56-M58 VanDerWaalsContact C-N 3.34Å; W56-A59 PolarHBondContact O-N 3.27Å; W56-V60 WeakPolarHBondContact O-CG2 3.39Å; W56-V60 PolarHBondContact O-N 2.77Å; W56-F205 AromaticContact CD2-CE1 3.95Å; W56-F205 HydrophobicContact CD2-CE1 3.95Å; W56-F205 HydrophobicContact CD2-CZ 4.47Å; W56-F205 AromaticContact CE2-CE1 4Å; W56-F205 HydrophobicContact CE3-CE1 4.02Å; W56-F205 HydrophobicContact CE3-CZ 4.39Å; W56-F205 HydrophobicContact CH2-CE1 4.21Å; W56-F205 HydrophobicContact CZ2-CE1 4.14Å; W56-F205 HydrophobicContact CZ3-CE1 4.15Å; W56-I208 HydrophobicContact CH2-CD1 3.64Å; W56-I208 HydrophobicContact CZ2-CD1 4Å |
| 57 | W | 94.3 | Very high | 91.4 | Very high | 138 Ų | 138 | 59.2 Ų | 59.2 | 52% | 0.523 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.4 | -51.2 | 172 | 174.8 | -94.6 | 0 | 0 | 0 | 110.2 | R54 A59 V60 T61 N257 N261 | R54-W57 WeakPolarHBondContact O-CB 3.46Å; R54-W57 PolarHBondContact O-N 3.37Å; W57-A59 VanDerWaalsContact C-N 3.31Å; W57-A59 PolarHBondContact O-N 3.38Å; W57-V60 PolarHBondContact O-N 2.69Å; W57-T61 HydrophobicContact CD2-CG2 4.03Å; W57-T61 HydrophobicContact CG-CG2 4.39Å; W57-T61 HydrophobicContact CH2-CG2 4.46Å; W57-T61 HydrophobicContact CZ2-CG2 3.8Å; W57-T61 WeakPolarHBondContact O-CG2 3.47Å; W57-T61 PolarHBondContact O-N 3.23Å; W57-T61 PolarHBondContact O-OG1 3.38Å; W57-T61 VanDerWaalsContact O-OG1 3.07Å; W57-N257 PolarHBondContact NE1-OD1 2.97Å; W57-N257 VanDerWaalsContact NE1-OD1 3.16Å; W57-N261 PolarHBondContact NE1-ND2 2.88Å |
| 58 | M | 93.9 | Very high | 91.9 | Very high | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.7 | -42.3 | 179.2 | -63.8 | 177.2 | 73.1 | 0 | 0 | 112 | A51 R54 R55 W56 T61 S62 L201 N261 W262 F267 | A51-M58 HydrophobicContact CB-CE 4.41Å; A51-M58 HydrophobicContact CB-SD 3.89Å; R54-M58 HydrophobicContact CB-CG 4.48Å; R54-M58 WeakPolarHBondContact O-CG 3.43Å; R54-M58 PolarHBondContact O-N 2.98Å; R55-M58 PolarHBondContact O-N 3.09Å; W56-M58 VanDerWaalsContact C-N 3.34Å; M58-T61 WeakPolarHBondContact CA-OG1 3.1Å; M58-T61 PolarHBondContact O-OG1 3.48Å; M58-T61 VanDerWaalsContact O-OG1 3.1Å; M58-S62 VanDerWaalsContact O-CB 3.25Å; M58-S62 WeakPolarHBondContact O-CB 3.36Å; M58-S62 PolarHBondContact O-N 3.25Å; M58-S62 PolarHBondContact O-OG 3.17Å; M58-S62 VanDerWaalsContact O-OG 3.04Å; M58-L201 HydrophobicContact CB-CD1 3.96Å; M58-L201 HydrophobicContact CB-CD2 4.11Å; M58-L201 HydrophobicContact CE-CD1 3.86Å; M58-L201 HydrophobicContact SD-CD1 4.47Å; M58-N261 WeakPolarHBondContact CE-O 3.47Å; M58-N261 HydrophobicContact CG-CB 4.22Å; M58-W262 HydrophobicContact CE-CG 3.94Å; M58-F267 HydrophobicContact CE-CZ 4.2Å |
| 59 | A | 93.4 | Very high | 92.5 | Very high | 3 Ų | 3 | 60.1 Ų | 60.1 | 3% | 0.025 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -64.6 | -47.4 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | R55 W56 W57 S62 I63 L201 F205 M216 | R55-A59 WeakPolarHBondContact O-CB 2.95Å; R55-A59 PolarHBondContact O-N 2.96Å; W56-A59 PolarHBondContact O-N 3.27Å; W57-A59 VanDerWaalsContact C-N 3.31Å; W57-A59 PolarHBondContact O-N 3.38Å; A59-S62 PolarHBondContact O-N 3.41Å; A59-I63 WeakPolarHBondContact O-CD1 3.24Å; A59-I63 VanDerWaalsContact O-CG1 3.32Å; A59-I63 WeakPolarHBondContact O-CG1 3.48Å; A59-I63 PolarHBondContact O-N 3.08Å; A59-L201 HydrophobicContact CB-CD2 4.25Å; A59-F205 HydrophobicContact CB-CE2 3.96Å; A59-F205 HydrophobicContact CB-CZ 3.73Å; A59-M216 HydrophobicContact CB-CE 4.41Å; A59-M216 WeakPolarHBondContact O-CE 3.41Å |
| 60 | V | 94.9 | Very high | 93 | Very high | 77 Ų | 77 | 57.3 Ų | 57.3 | 47% | 0.467 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -63.9 | -46.8 | 178.2 | 173.1 | 0 | 0 | 0 | 0 | 110.6 | W56 W57 S62 I63 I64 | W56-V60 WeakPolarHBondContact O-CG2 3.39Å; W56-V60 PolarHBondContact O-N 2.77Å; W57-V60 PolarHBondContact O-N 2.69Å; V60-S62 VanDerWaalsContact C-N 3.34Å; V60-S62 PolarHBondContact O-N 3.03Å; V60-I63 PolarHBondContact O-N 3.18Å; V60-I64 HydrophobicContact CG1-CD1 3.9Å; V60-I64 WeakPolarHBondContact O-CG1 3.41Å; V60-I64 PolarHBondContact O-N 2.97Å; V60-I64 VanDerWaalsContact O-N 3.08Å |
| 61 | T | 95.2 | Very high | 93.4 | Very high | 14 Ų | 14 | 53.6 Ų | 53.6 | 9% | 0.086 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -40.1 | 178 | 57.9 | 0 | 0 | 0 | 0 | 111.5 | W57 M58 I63 I64 E65 N257 | W57-T61 HydrophobicContact CD2-CG2 4.03Å; W57-T61 HydrophobicContact CG-CG2 4.39Å; W57-T61 HydrophobicContact CH2-CG2 4.46Å; W57-T61 HydrophobicContact CZ2-CG2 3.8Å; W57-T61 WeakPolarHBondContact O-CG2 3.47Å; W57-T61 PolarHBondContact O-N 3.23Å; W57-T61 PolarHBondContact O-OG1 3.38Å; W57-T61 VanDerWaalsContact O-OG1 3.07Å; M58-T61 WeakPolarHBondContact CA-OG1 3.1Å; M58-T61 PolarHBondContact O-OG1 3.48Å; M58-T61 VanDerWaalsContact O-OG1 3.1Å; T61-I63 VanDerWaalsContact C-N 3.34Å; T61-I63 PolarHBondContact O-N 3.39Å; T61-I64 PolarHBondContact O-N 3.44Å; T61-E65 VanDerWaalsContact O-CB 3.24Å; T61-E65 WeakPolarHBondContact O-CB 3.39Å; T61-E65 VanDerWaalsContact O-CD 3.3Å; T61-E65 WeakPolarHBondContact O-CG 3.44Å; T61-E65 PolarHBondContact O-N 3.25Å; T61-N257 WeakPolarHBondContact CB-ND2 3.33Å; T61-N257 PolarHBondContact OG1-ND2 3.34Å; T61-N257 VanDerWaalsContact OG1-ND2 3.13Å |
| 62 | S | 95.1 | Very high | 93.9 | Very high | 0 Ų | 0 | 53.6 Ų | 53.6 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.5 | -34 | 177.1 | -72.3 | 0 | 0 | 0 | 0 | 113.4 | M58 A59 V60 E65 N66 W262 | M58-S62 VanDerWaalsContact O-CB 3.25Å; M58-S62 WeakPolarHBondContact O-CB 3.36Å; M58-S62 PolarHBondContact O-N 3.25Å; M58-S62 PolarHBondContact O-OG 3.17Å; M58-S62 VanDerWaalsContact O-OG 3.04Å; A59-S62 PolarHBondContact O-N 3.41Å; V60-S62 VanDerWaalsContact C-N 3.34Å; V60-S62 PolarHBondContact O-N 3.03Å; S62-E65 WeakPolarHBondContact CA-OE2 3.36Å; S62-N66 VanDerWaalsContact O-CB 3.23Å; S62-N66 WeakPolarHBondContact O-CB 3.39Å; S62-N66 PolarHBondContact O-N 2.79Å; S62-N66 PolarHBondContact O-OD1 2.91Å; S62-W262 WeakPolarHBondContact OG-CZ2 3.39Å |
| 63 | I | 94.8 | Very high | 94.3 | Very high | 39 Ų | 39 | 49.8 Ų | 49.8 | 20% | 0.2 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -65.1 | -47.4 | 173.7 | -70.2 | 161.1 | 0 | 0 | 0 | 110.3 | A59 V60 T61 N66 L67 L215 M216 | A59-I63 WeakPolarHBondContact O-CD1 3.24Å; A59-I63 VanDerWaalsContact O-CG1 3.32Å; A59-I63 WeakPolarHBondContact O-CG1 3.48Å; A59-I63 PolarHBondContact O-N 3.08Å; V60-I63 PolarHBondContact O-N 3.18Å; T61-I63 VanDerWaalsContact C-N 3.34Å; T61-I63 PolarHBondContact O-N 3.39Å; I63-N66 PolarHBondContact O-N 3.18Å; I63-L67 PolarHBondContact O-N 3.24Å; I63-L215 HydrophobicContact CD1-CD2 3.49Å; I63-L215 VanDerWaalsContact CD1-CD2 3.49Å; I63-L215 HydrophobicContact CD1-CG 3.91Å; I63-L215 HydrophobicContact CG1-CD2 4.44Å; I63-L215 HydrophobicContact CG1-CG 4.35Å; I63-M216 HydrophobicContact CD1-CE 4.22Å; I63-M216 HydrophobicContact CG1-CE 3.64Å; I63-M216 HydrophobicContact CG1-SD 3.77Å |
| 64 | I | 95.3 | Very high | 94.5 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 43% | 0.426 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -63.2 | -46.6 | 178.4 | -66.9 | 170.5 | 0 | 0 | 0 | 110.2 | V60 T61 N66 L67 F68 | V60-I64 HydrophobicContact CG1-CD1 3.9Å; V60-I64 WeakPolarHBondContact O-CG1 3.41Å; V60-I64 PolarHBondContact O-N 2.97Å; V60-I64 VanDerWaalsContact O-N 3.08Å; T61-I64 PolarHBondContact O-N 3.44Å; I64-N66 VanDerWaalsContact C-N 3.35Å; I64-N66 PolarHBondContact O-N 2.99Å; I64-L67 WeakPolarHBondContact O-CB 3.4Å; I64-L67 PolarHBondContact O-N 3.22Å; I64-L67 VanDerWaalsContact O-N 3.11Å; I64-F68 HydrophobicContact CG2-CD2 3.75Å; I64-F68 HydrophobicContact CG2-CE2 4.03Å; I64-F68 VanDerWaalsContact O-CD2 3.26Å; I64-F68 WeakPolarHBondContact O-CD2 3.3Å; I64-F68 PolarHBondContact O-N 3.48Å |
| 65 | E | 96.1 | Very high | 94.6 | Very high | 9 Ų | 9 | 35.6 Ų | 35.6 | 4% | 0.042 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.1 | -41.4 | 179.1 | -71.6 | 162.5 | 166.8 | 0 | 0 | 111.8 | T61 S62 L67 F68 F69 R152 V254 N257 W262 | T61-E65 VanDerWaalsContact O-CB 3.24Å; T61-E65 WeakPolarHBondContact O-CB 3.39Å; T61-E65 VanDerWaalsContact O-CD 3.3Å; T61-E65 WeakPolarHBondContact O-CG 3.44Å; T61-E65 PolarHBondContact O-N 3.25Å; S62-E65 WeakPolarHBondContact CA-OE2 3.36Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 2.96Å; E65-F68 PolarHBondContact O-N 3.29Å; E65-F69 WeakPolarHBondContact O-CA 3.49Å; E65-F69 WeakPolarHBondContact O-CB 3.35Å; E65-F69 PolarHBondContact O-N 3.17Å; E65-R152 VanDerWaalsContact CD-NH2 3.3Å; E65-R152 IonicContact OE1-NH2 3.87Å; E65-R152 IonicContact OE2-CZ 2.78Å; E65-R152 IonicContact OE2-NH1 3.65Å; E65-R152 PolarHBondContact OE2-NH1 3.29Å; E65-R152 IonicContact OE2-NH2 2.72Å; E65-R152 PolarHBondContact OE2-NH2 3.49Å; E65-V254 HydrophobicContact CG-CG1 4.01Å; E65-V254 HydrophobicContact CG-CG2 3.96Å; E65-N257 PolarHBondContact OE1-ND2 2.72Å; E65-W262 VanDerWaalsContact OE2-CH2 3.3Å; E65-W262 WeakPolarHBondContact OE2-CH2 3.29Å |
| 66 | N | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -61.2 | -43.5 | 172.9 | -76.6 | 2.6 | 0 | 0 | 0 | 110.3 | S62 I63 I64 F68 S70 S198 M216 S219 S223 | S62-N66 VanDerWaalsContact O-CB 3.23Å; S62-N66 WeakPolarHBondContact O-CB 3.39Å; S62-N66 PolarHBondContact O-N 2.79Å; S62-N66 PolarHBondContact O-OD1 2.91Å; I63-N66 PolarHBondContact O-N 3.18Å; I64-N66 VanDerWaalsContact C-N 3.35Å; I64-N66 PolarHBondContact O-N 2.99Å; N66-F68 PolarHBondContact O-N 2.96Å; N66-S70 VanDerWaalsContact O-CB 3.29Å; N66-S70 WeakPolarHBondContact O-CB 3.25Å; N66-S70 PolarHBondContact O-N 3.07Å; N66-S70 PolarHBondContact O-OG 3.37Å; N66-S198 WeakPolarHBondContact OD1-CB 3.47Å; N66-S198 PolarHBondContact OD1-OG 3.26Å; N66-M216 PolarHBondContact ND2-O 3.35Å; N66-S219 VanDerWaalsContact CB-OG 3.26Å; N66-S219 WeakPolarHBondContact CB-OG 3.14Å; N66-S219 PolarHBondContact ND2-OG 2.93Å; N66-S223 WeakPolarHBondContact O-CB 3.41Å |
| 67 | L | 95.3 | Very high | 94.8 | Very high | 30 Ų | 30 | 24.3 Ų | 24.3 | 16% | 0.157 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -61.6 | -43 | 179.9 | -170.6 | 66.1 | 0 | 0 | 0 | 112.2 | I63 I64 E65 S223 V225 T226 | I63-L67 PolarHBondContact O-N 3.24Å; I64-L67 WeakPolarHBondContact O-CB 3.4Å; I64-L67 PolarHBondContact O-N 3.22Å; I64-L67 VanDerWaalsContact O-N 3.11Å; E65-L67 VanDerWaalsContact C-N 3.31Å; E65-L67 PolarHBondContact O-N 2.96Å; L67-S223 WeakPolarHBondContact O-CA 3.34Å; L67-S223 WeakPolarHBondContact O-CB 3.49Å; L67-V225 HydrophobicContact CD1-CG1 3.98Å; L67-V225 HydrophobicContact CG-CG1 4.46Å; L67-T226 PolarHBondContact O-OG1 2.91Å |
| 68 | F | 96.3 | Very high | 94.9 | Very high | 87 Ų | 87 | 17.9 Ų | 17.9 | 38% | 0.382 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -99.9 | -17.9 | -171.3 | -68.6 | -69.8 | 0 | 0 | 0 | 115.9 | I64 E65 N66 V72 T226 W247 | I64-F68 HydrophobicContact CG2-CD2 3.75Å; I64-F68 HydrophobicContact CG2-CE2 4.03Å; I64-F68 VanDerWaalsContact O-CD2 3.26Å; I64-F68 WeakPolarHBondContact O-CD2 3.3Å; I64-F68 PolarHBondContact O-N 3.48Å; E65-F68 PolarHBondContact O-N 3.29Å; N66-F68 PolarHBondContact O-N 2.96Å; F68-V72 WeakPolarHBondContact O-CG1 3.42Å; F68-T226 HydrophobicContact CD1-CG2 3.97Å; F68-W247 WeakPolarHBondContact O-CZ2 3.29Å; F68-W247 PolarHBondContact O-NE1 3.37Å |
| 69 | F | 96.4 | Very high | 95 | Very high | 15 Ų | 15 | 17.9 Ų | 17.9 | 7% | 0.066 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -136.3 | 13.8 | -170.7 | -52.8 | -87.6 | 0 | 0 | 0 | 113.9 | E65 F159 G191 L194 W247 L250 A251 V254 | E65-F69 WeakPolarHBondContact O-CA 3.49Å; E65-F69 WeakPolarHBondContact O-CB 3.35Å; E65-F69 PolarHBondContact O-N 3.17Å; F69-F159 VanDerWaalsContact C-CE2 3.42Å; F69-F159 HydrophobicContact CB-CD1 4.18Å; F69-F159 HydrophobicContact CB-CE1 4.05Å; F69-F159 HydrophobicContact CB-CE2 4.4Å; F69-F159 HydrophobicContact CB-CG 4.4Å; F69-F159 HydrophobicContact CB-CZ 4.15Å; F69-F159 AromaticContact CD1-CD1 3.78Å; F69-F159 HydrophobicContact CD1-CD1 3.78Å; F69-F159 AromaticContact CD1-CE1 3.61Å; F69-F159 HydrophobicContact CD1-CE1 3.61Å; F69-F159 HydrophobicContact CD1-CZ 4.43Å; F69-F159 HydrophobicContact CG-CD1 4.47Å; F69-F159 HydrophobicContact CG-CE1 4.28Å; F69-F159 WeakPolarHBondContact O-CD2 3.29Å; F69-F159 WeakPolarHBondContact O-CE2 3.48Å; F69-G191 WeakPolarHBondContact O-CA 3.22Å; F69-L194 HydrophobicContact CB-CD1 3.77Å; F69-L194 WeakPolarHBondContact O-CD1 3.48Å; F69-W247 AromaticContact CD1-NE1 3.67Å; F69-W247 AromaticContact CE1-CD1 3.39Å; F69-W247 AromaticContact CE1-NE1 3.26Å; F69-W247 VanDerWaalsContact CE1-NE1 3.26Å; F69-W247 AromaticContact CZ-CD1 3.96Å; F69-W247 AromaticContact CZ-NE1 3.89Å; F69-L250 HydrophobicContact CE1-CB 4.08Å; F69-L250 HydrophobicContact CZ-CB 3.65Å; F69-A251 HydrophobicContact CD1-CB 3.97Å; F69-A251 HydrophobicContact CE1-CB 3.86Å; F69-V254 HydrophobicContact CD2-CG2 3.82Å; F69-V254 HydrophobicContact CE2-CG2 3.89Å; F69-V254 HydrophobicContact CG-CG2 4.19Å; F69-V254 HydrophobicContact CZ-CG2 4.33Å |
| 70 | S | 93.6 | Very high | 95 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.093 | C | C | . | . | S | Bend | trans | -101.4 | -98.1 | 177.1 | 73.9 | 0 | 0 | 0 | 0 | 114 | N66 V72 G191 T195 | N66-S70 VanDerWaalsContact O-CB 3.29Å; N66-S70 WeakPolarHBondContact O-CB 3.25Å; N66-S70 PolarHBondContact O-N 3.07Å; N66-S70 PolarHBondContact O-OG 3.37Å; S70-V72 PolarHBondContact O-N 3.01Å; S70-G191 VanDerWaalsContact O-CA 3.25Å; S70-G191 WeakPolarHBondContact O-CA 3.4Å; S70-T195 WeakPolarHBondContact CB-OG1 3.13Å |
| 71 | A | 93.8 | Very high | 95 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.078 | C | C | . | . | S | Bend | trans | -91 | 34 | -171.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | L73 L74 L132 Y220 S223 | A71-L73 PolarHBondContact O-N 3.15Å; A71-L73 VanDerWaalsContact O-N 3.13Å; A71-L74 HydrophobicContact CB-CD1 3.59Å; A71-L74 HydrophobicContact CB-CG 4.2Å; A71-L74 VanDerWaalsContact O-CB 3.3Å; A71-L74 WeakPolarHBondContact O-CB 3.23Å; A71-L74 WeakPolarHBondContact O-CG 3.42Å; A71-L74 PolarHBondContact O-N 3.35Å; A71-L132 HydrophobicContact CB-CD1 4.36Å; A71-L132 HydrophobicContact CB-CD2 4.11Å; A71-Y220 HydrophobicContact CB-CD2 3.56Å; A71-Y220 HydrophobicContact CB-CE2 3.18Å; A71-Y220 HydrophobicContact CB-CG 4.43Å; A71-S223 WeakPolarHBondContact CA-OG 3.44Å; A71-S223 WeakPolarHBondContact CB-OG 3.49Å; A71-S223 PolarHBondContact N-OG 2.51Å; A71-S223 VanDerWaalsContact N-OG 3.13Å; A71-S223 PolarHBondContact O-OG 3.49Å |
| 72 | V | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -60 | -30.9 | -171.3 | -60.3 | 0 | 0 | 0 | 0 | 112.2 | F68 S70 L74 G75 F159 N187 T226 F227 W247 | F68-V72 WeakPolarHBondContact O-CG1 3.42Å; S70-V72 PolarHBondContact O-N 3.01Å; V72-L74 PolarHBondContact O-N 3.36Å; V72-G75 PolarHBondContact O-N 2.94Å; V72-F159 HydrophobicContact CG1-CZ 4.34Å; V72-F159 HydrophobicContact CG2-CE2 3.99Å; V72-F159 HydrophobicContact CG2-CZ 3.62Å; V72-N187 WeakPolarHBondContact CG2-OD1 3.49Å; V72-T226 HydrophobicContact CG1-CG2 4.04Å; V72-F227 VanDerWaalsContact C-CD2 3.5Å; V72-F227 VanDerWaalsContact C-CE2 3.41Å; V72-F227 HydrophobicContact CB-CD2 4.16Å; V72-F227 HydrophobicContact CB-CE2 3.89Å; V72-F227 HydrophobicContact CB-CZ 4.32Å; V72-F227 HydrophobicContact CG2-CD2 4.4Å; V72-F227 HydrophobicContact CG2-CE2 3.64Å; V72-F227 HydrophobicContact CG2-CZ 3.77Å; V72-F227 WeakPolarHBondContact O-CD2 3.3Å; V72-F227 WeakPolarHBondContact O-CE2 3.47Å; V72-W247 HydrophobicContact CB-CH2 4.28Å; V72-W247 HydrophobicContact CB-CZ2 4.41Å; V72-W247 HydrophobicContact CG1-CH2 4.48Å; V72-W247 HydrophobicContact CG1-CZ2 4.11Å; V72-W247 HydrophobicContact CG2-CH2 3.79Å; V72-W247 HydrophobicContact CG2-CZ2 4.14Å |
| 73 | L | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.074 | C | C | . | . | G | 310 helix | trans | -51.5 | -24.1 | 173.4 | -71.6 | 178.5 | 0 | 0 | 0 | 113.9 | A71 G75 W76 F125 V184 N187 F227 | A71-L73 PolarHBondContact O-N 3.15Å; A71-L73 VanDerWaalsContact O-N 3.13Å; L73-G75 PolarHBondContact O-N 3.23Å; L73-W76 WeakPolarHBondContact O-CA 3.36Å; L73-W76 VanDerWaalsContact O-CB 3.27Å; L73-W76 WeakPolarHBondContact O-CB 3.47Å; L73-W76 PolarHBondContact O-N 3.34Å; L73-F125 VanDerWaalsContact O-CE2 3.27Å; L73-F125 WeakPolarHBondContact O-CE2 3.16Å; L73-V184 HydrophobicContact CD2-CB 4.19Å; L73-V184 HydrophobicContact CD2-CG1 4.11Å; L73-N187 HydrophobicContact CD1-CB 4.2Å; L73-N187 HydrophobicContact CD2-CB 4.34Å; L73-N187 HydrophobicContact CG-CB 4.22Å; L73-F227 HydrophobicContact CD2-CE2 4.22Å |
| 74 | L | 92.4 | Very high | 94.9 | Very high | 7 Ų | 7 | 14.7 Ų | 14.7 | 4% | 0.037 | 7% | 0.072 | C | C | . | . | G | 310 helix | trans | -69.9 | -12.2 | 176.9 | -56.4 | 176.4 | 0 | 0 | 0 | 112.2 | A71 V72 W76 L132 A224 M353 | A71-L74 HydrophobicContact CB-CD1 3.59Å; A71-L74 HydrophobicContact CB-CG 4.2Å; A71-L74 VanDerWaalsContact O-CB 3.3Å; A71-L74 WeakPolarHBondContact O-CB 3.23Å; A71-L74 WeakPolarHBondContact O-CG 3.42Å; A71-L74 PolarHBondContact O-N 3.35Å; V72-L74 PolarHBondContact O-N 3.36Å; L74-W76 PolarHBondContact O-N 2.97Å; L74-L132 HydrophobicContact CD1-CD2 4.08Å; L74-L132 HydrophobicContact CD2-CD2 4.17Å; L74-L132 HydrophobicContact CG-CD2 4.05Å; L74-A224 HydrophobicContact CB-CB 4.11Å; L74-M353 HydrophobicContact CB-SD 3.9Å; L74-M353 HydrophobicContact CD2-CE 3.85Å; L74-M353 HydrophobicContact CD2-SD 4.11Å |
| 75 | G | 94.4 | Very high | 94.7 | Very high | 4 Ų | 4 | 13 Ų | 13 | 4% | 0.041 | 6% | 0.064 | C | C | . | . | G | 310 helix | trans | -86.4 | 25.7 | 164.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | V72 L73 A77 S78 A224 | V72-G75 PolarHBondContact O-N 2.94Å; L73-G75 PolarHBondContact O-N 3.23Å; G75-A77 PolarHBondContact O-N 3.13Å; G75-A77 VanDerWaalsContact O-N 3.16Å; G75-S78 PolarHBondContact O-N 3.28Å; G75-S78 VanDerWaalsContact O-N 3.1Å; G75-A224 WeakPolarHBondContact CA-O 3.3Å |
| 76 | W | 95.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 14 Ų | 14 | 0% | 0.004 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -51 | -39.7 | -173.6 | 179.6 | -112.3 | 0 | 0 | 0 | 113.9 | L73 L74 S78 L79 L80 L83 L121 N122 F125 V184 | L73-W76 WeakPolarHBondContact O-CA 3.36Å; L73-W76 VanDerWaalsContact O-CB 3.27Å; L73-W76 WeakPolarHBondContact O-CB 3.47Å; L73-W76 PolarHBondContact O-N 3.34Å; L74-W76 PolarHBondContact O-N 2.97Å; W76-S78 PolarHBondContact O-N 3.39Å; W76-S78 VanDerWaalsContact O-N 3.09Å; W76-L79 HydrophobicContact CE3-CB 4.34Å; W76-L79 HydrophobicContact CE3-CD2 3.83Å; W76-L79 HydrophobicContact CE3-CG 4.33Å; W76-L79 HydrophobicContact CZ3-CD2 3.66Å; W76-L79 HydrophobicContact CZ3-CG 4.22Å; W76-L79 CarbonylContact O-C 3.51Å; W76-L79 PolarHBondContact O-N 2.97Å; W76-L80 HydrophobicContact CD2-CB 4.48Å; W76-L80 HydrophobicContact CZ2-CB 4.34Å; W76-L80 HydrophobicContact CZ2-CD1 3.85Å; W76-L80 WeakPolarHBondContact O-CB 3.47Å; W76-L80 PolarHBondContact O-N 3.3Å; W76-L83 HydrophobicContact CH2-CD1 3.88Å; W76-L83 HydrophobicContact CZ3-CD1 4.17Å; W76-L121 HydrophobicContact CH2-CB 4.44Å; W76-L121 WeakPolarHBondContact CH2-O 3.19Å; W76-L121 HydrophobicContact CZ2-CB 3.99Å; W76-L121 WeakPolarHBondContact CZ2-O 3.42Å; W76-N122 PolarHBondContact NE1-OD1 2.71Å; W76-F125 HydrophobicContact CB-CD2 3.55Å; W76-F125 HydrophobicContact CB-CE2 3.61Å; W76-F125 HydrophobicContact CB-CG 4.12Å; W76-F125 HydrophobicContact CB-CZ 4.22Å; W76-F125 AromaticContact CD1-CG 3.86Å; W76-F125 HydrophobicContact CD2-CB 3.56Å; W76-F125 AromaticContact CD2-CD2 3.75Å; W76-F125 HydrophobicContact CD2-CD2 3.75Å; W76-F125 AromaticContact CD2-CG 3.77Å; W76-F125 HydrophobicContact CD2-CG 3.77Å; W76-F125 VanDerWaalsContact CE2-CB 3.5Å; W76-F125 HydrophobicContact CE3-CB 3.9Å; W76-F125 AromaticContact CE3-CD2 3.98Å; W76-F125 HydrophobicContact CE3-CD2 3.98Å; W76-F125 HydrophobicContact CE3-CG 4.27Å; W76-F125 HydrophobicContact CG-CB 3.97Å; W76-F125 HydrophobicContact CG-CD1 4.27Å; W76-F125 AromaticContact CG-CD2 3.54Å; W76-F125 HydrophobicContact CG-CD2 3.54Å; W76-F125 HydrophobicContact CG-CE2 4.08Å; W76-F125 AromaticContact CG-CG 3.65Å; W76-F125 HydrophobicContact CG-CG 3.65Å; W76-F125 HydrophobicContact CH2-CB 4.15Å; W76-F125 HydrophobicContact CZ2-CB 3.81Å; W76-F125 HydrophobicContact CZ3-CB 4.18Å; W76-V184 HydrophobicContact CZ3-CG1 4.45Å |
| 77 | A | 93.8 | Very high | 94.4 | Very high | 3 Ų | 3 | 14 Ų | 14 | 3% | 0.025 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -53 | -35.2 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | G75 I81 M356 N357 S387 | G75-A77 PolarHBondContact O-N 3.13Å; G75-A77 VanDerWaalsContact O-N 3.16Å; A77-I81 WeakPolarHBondContact O-CD1 3.49Å; A77-I81 WeakPolarHBondContact O-CG1 3.34Å; A77-M356 HydrophobicContact CB-CE 3.24Å; A77-M356 HydrophobicContact CB-SD 4.45Å; A77-N357 PolarHBondContact O-ND2 2.88Å; A77-S387 PolarHBondContact O-OG 2.94Å |
| 78 | S | 95.5 | Very high | 94.4 | Very high | 3 Ų | 3 | 12.6 Ų | 12.6 | 2% | 0.021 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -79.5 | -40.5 | 176.1 | -57.3 | 0 | 0 | 0 | 0 | 112 | G75 W76 I81 M82 | G75-S78 PolarHBondContact O-N 3.28Å; G75-S78 VanDerWaalsContact O-N 3.1Å; W76-S78 PolarHBondContact O-N 3.39Å; W76-S78 VanDerWaalsContact O-N 3.09Å; S78-I81 PolarHBondContact O-N 3.28Å; S78-M82 PolarHBondContact O-N 3.05Å |
| 79 | L | 95.6 | Very high | 94.3 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.044 | C | C | . | . | H | α-helix | trans | -64.4 | -42.4 | 177.5 | 180 | 61.4 | 0 | 0 | 0 | 112.1 | W76 I81 M82 L83 F227 F240 | W76-L79 HydrophobicContact CE3-CB 4.34Å; W76-L79 HydrophobicContact CE3-CD2 3.83Å; W76-L79 HydrophobicContact CE3-CG 4.33Å; W76-L79 HydrophobicContact CZ3-CD2 3.66Å; W76-L79 HydrophobicContact CZ3-CG 4.22Å; W76-L79 CarbonylContact O-C 3.51Å; W76-L79 PolarHBondContact O-N 2.97Å; L79-I81 VanDerWaalsContact C-N 3.29Å; L79-I81 PolarHBondContact O-N 3.33Å; L79-M82 HydrophobicContact CB-CE 4.43Å; L79-M82 HydrophobicContact CD1-CE 4Å; L79-M82 PolarHBondContact O-N 3.16Å; L79-M82 VanDerWaalsContact O-N 3.11Å; L79-L83 HydrophobicContact CD1-CD1 4.25Å; L79-L83 HydrophobicContact CD1-CD2 4.32Å; L79-L83 HydrophobicContact CD1-CG 3.99Å; L79-L83 HydrophobicContact CD2-CD1 4.28Å; L79-L83 HydrophobicContact CG-CD1 3.85Å; L79-L83 HydrophobicContact CG-CG 4.06Å; L79-L83 WeakPolarHBondContact O-CG 3.26Å; L79-L83 PolarHBondContact O-N 3Å; L79-F227 HydrophobicContact CB-CB 4.43Å; L79-F227 HydrophobicContact CB-CD1 4.17Å; L79-F227 HydrophobicContact CB-CD2 4.01Å; L79-F227 HydrophobicContact CB-CE1 4.47Å; L79-F227 HydrophobicContact CB-CE2 4.38Å; L79-F227 HydrophobicContact CB-CG 3.98Å; L79-F227 HydrophobicContact CD1-CD1 4.18Å; L79-F227 HydrophobicContact CD1-CE1 3.97Å; L79-F227 HydrophobicContact CD1-CZ 4.46Å; L79-F227 HydrophobicContact CD2-CD1 4.49Å; L79-F227 HydrophobicContact CD2-CD2 4.23Å; L79-F227 HydrophobicContact CD2-CE1 3.97Å; L79-F227 HydrophobicContact CD2-CE2 3.73Å; L79-F227 HydrophobicContact CD2-CZ 3.62Å; L79-F227 HydrophobicContact CG-CE1 4.36Å; L79-F227 HydrophobicContact CG-CZ 4.46Å; L79-F240 HydrophobicContact CD1-CE2 4.29Å; L79-F240 HydrophobicContact CD1-CZ 4.48Å |
| 80 | L | 95.3 | Very high | 94 | Very high | 2 Ų | 2 | 8.3 Ų | 8.3 | 1% | 0.01 | 4% | 0.043 | C | C | . | . | H | α-helix | trans | -56.6 | -43.2 | 179.8 | -179.9 | 61.8 | 0 | 0 | 0 | 111.4 | W76 M82 L83 K84 L121 | W76-L80 HydrophobicContact CD2-CB 4.48Å; W76-L80 HydrophobicContact CZ2-CB 4.34Å; W76-L80 HydrophobicContact CZ2-CD1 3.85Å; W76-L80 WeakPolarHBondContact O-CB 3.47Å; W76-L80 PolarHBondContact O-N 3.3Å; L80-M82 PolarHBondContact O-N 3.22Å; L80-L83 PolarHBondContact O-N 3.07Å; L80-K84 HydrophobicContact CD1-CD 4.49Å; L80-K84 HydrophobicContact CD1-CG 4.47Å; L80-K84 HydrophobicContact CG-CD 4.38Å; L80-K84 VanDerWaalsContact O-CG 3.31Å; L80-K84 WeakPolarHBondContact O-CG 3.3Å; L80-K84 PolarHBondContact O-N 3Å; L80-L121 HydrophobicContact CD1-CB 3.68Å; L80-L121 HydrophobicContact CD1-CD1 3.74Å; L80-L121 HydrophobicContact CD1-CG 4.34Å |
| 81 | I | 93.1 | Very high | 93.8 | Very high | 27 Ų | 27 | 12.6 Ų | 12.6 | 14% | 0.138 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -61 | -46.3 | 177.1 | -64.5 | 167.1 | 0 | 0 | 0 | 110.6 | A77 S78 L79 K84 N85 V383 | A77-I81 WeakPolarHBondContact O-CD1 3.49Å; A77-I81 WeakPolarHBondContact O-CG1 3.34Å; S78-I81 PolarHBondContact O-N 3.28Å; L79-I81 VanDerWaalsContact C-N 3.29Å; L79-I81 PolarHBondContact O-N 3.33Å; I81-K84 PolarHBondContact O-N 2.97Å; I81-N85 VanDerWaalsContact O-CG 3.29Å; I81-N85 PolarHBondContact O-N 3.3Å; I81-N85 PolarHBondContact O-ND2 3.3Å; I81-V383 HydrophobicContact CD1-CG1 4.35Å |
| 82 | M | 94.8 | Very high | 93.6 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -64 | -44.6 | 178.2 | -66 | -175.6 | -73.9 | 0 | 0 | 112.2 | S78 L79 L80 K84 N85 E86 I230 K231 Y234 F240 | S78-M82 PolarHBondContact O-N 3.05Å; L79-M82 HydrophobicContact CB-CE 4.43Å; L79-M82 HydrophobicContact CD1-CE 4Å; L79-M82 PolarHBondContact O-N 3.16Å; L79-M82 VanDerWaalsContact O-N 3.11Å; L80-M82 PolarHBondContact O-N 3.22Å; M82-K84 VanDerWaalsContact C-N 3.32Å; M82-K84 PolarHBondContact O-N 3.33Å; M82-N85 PolarHBondContact O-N 2.88Å; M82-N85 VanDerWaalsContact O-N 3.17Å; M82-E86 WeakPolarHBondContact O-CG 3.5Å; M82-E86 PolarHBondContact O-N 3.45Å; M82-I230 HydrophobicContact CE-CB 4.37Å; M82-I230 HydrophobicContact CE-CG2 3.72Å; M82-I230 HydrophobicContact SD-CG2 3.79Å; M82-K231 HydrophobicContact CE-CB 4.1Å; M82-K231 HydrophobicContact CG-CB 4.36Å; M82-K231 HydrophobicContact CG-CG 4.33Å; M82-K231 VanDerWaalsContact SD-CA 3.52Å; M82-K231 HydrophobicContact SD-CB 3.97Å; M82-Y234 HydrophobicContact CG-CD1 3.8Å; M82-Y234 HydrophobicContact CG-CE1 4.27Å; M82-Y234 HydrophobicContact CG-CG 4.08Å; M82-Y234 HydrophobicContact SD-CD1 4.37Å; M82-Y234 HydrophobicContact SD-CG 4.07Å; M82-F240 HydrophobicContact CB-CD2 4.1Å; M82-F240 HydrophobicContact CB-CE2 4.03Å; M82-F240 HydrophobicContact SD-CD2 4.33Å; M82-F240 HydrophobicContact SD-CE2 4.43Å |
| 83 | L | 95.3 | Very high | 93.2 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -62.1 | -39.9 | 179.4 | -68.3 | 176.8 | 0 | 0 | 0 | 111.9 | W76 L79 L80 E86 G87 F88 L121 I180 F240 | W76-L83 HydrophobicContact CH2-CD1 3.88Å; W76-L83 HydrophobicContact CZ3-CD1 4.17Å; L79-L83 HydrophobicContact CD1-CD1 4.25Å; L79-L83 HydrophobicContact CD1-CD2 4.32Å; L79-L83 HydrophobicContact CD1-CG 3.99Å; L79-L83 HydrophobicContact CD2-CD1 4.28Å; L79-L83 HydrophobicContact CG-CD1 3.85Å; L79-L83 HydrophobicContact CG-CG 4.06Å; L79-L83 WeakPolarHBondContact O-CG 3.26Å; L79-L83 PolarHBondContact O-N 3Å; L80-L83 PolarHBondContact O-N 3.07Å; L83-E86 PolarHBondContact O-N 3.31Å; L83-G87 PolarHBondContact O-N 3.03Å; L83-F88 HydrophobicContact CB-CB 4.34Å; L83-F88 HydrophobicContact CB-CD2 4.35Å; L83-F88 HydrophobicContact CB-CG 4.38Å; L83-F88 HydrophobicContact CD2-CD1 4.24Å; L83-F88 HydrophobicContact CD2-CD2 3.87Å; L83-F88 HydrophobicContact CD2-CE1 4.19Å; L83-F88 HydrophobicContact CD2-CE2 3.83Å; L83-F88 HydrophobicContact CD2-CG 4.08Å; L83-F88 HydrophobicContact CD2-CZ 4Å; L83-F88 WeakPolarHBondContact O-CB 3.48Å; L83-F88 WeakPolarHBondContact O-CD2 3.42Å; L83-F88 PolarHBondContact O-N 3.18Å; L83-L121 HydrophobicContact CB-CD1 4.36Å; L83-L121 HydrophobicContact CB-CD2 4.33Å; L83-L121 HydrophobicContact CD1-CD2 4.07Å; L83-I180 HydrophobicContact CD1-CD1 4.23Å; L83-I180 HydrophobicContact CD1-CG1 4.29Å; L83-I180 HydrophobicContact CD2-CD1 4.06Å; L83-F240 HydrophobicContact CD2-CZ 3.91Å |
| 84 | K | 93.3 | Very high | 92.4 | Very high | 37 Ų | 37 | 23.2 Ų | 23.2 | 16% | 0.161 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -62.5 | -45.8 | 173.2 | -71.1 | 177.2 | 68.2 | -178.7 | 0 | 111.4 | L80 I81 M82 E86 G87 E118 L121 | L80-K84 HydrophobicContact CD1-CD 4.49Å; L80-K84 HydrophobicContact CD1-CG 4.47Å; L80-K84 HydrophobicContact CG-CD 4.38Å; L80-K84 VanDerWaalsContact O-CG 3.31Å; L80-K84 WeakPolarHBondContact O-CG 3.3Å; L80-K84 PolarHBondContact O-N 3Å; I81-K84 PolarHBondContact O-N 2.97Å; M82-K84 VanDerWaalsContact C-N 3.32Å; M82-K84 PolarHBondContact O-N 3.33Å; K84-E86 VanDerWaalsContact C-N 3.27Å; K84-E86 PolarHBondContact O-N 3.46Å; K84-G87 PolarHBondContact O-N 3.21Å; K84-E118 HydrophobicContact CD-CG 4.04Å; K84-E118 WeakPolarHBondContact CE-OE1 3.5Å; K84-E118 IonicContact NZ-OE1 2.67Å; K84-E118 PolarHBondContact NZ-OE1 3.37Å; K84-L121 HydrophobicContact CG-CD1 4.07Å |
| 85 | N | 91.8 | Very high | 90.8 | Very high | 48 Ų | 48 | 30.6 Ų | 30.6 | 26% | 0.257 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.6 | -28.3 | 179.3 | -72.5 | -16.5 | 0 | 0 | 0 | 113.2 | I81 M82 G87 Y234 | I81-N85 VanDerWaalsContact O-CG 3.29Å; I81-N85 PolarHBondContact O-N 3.3Å; I81-N85 PolarHBondContact O-ND2 3.3Å; M82-N85 PolarHBondContact O-N 2.88Å; M82-N85 VanDerWaalsContact O-N 3.17Å; N85-G87 VanDerWaalsContact C-N 3.28Å; N85-Y234 HydrophobicContact CB-CE1 4.17Å; N85-Y234 WeakPolarHBondContact CB-OH 3.44Å |
| 86 | E | 93.1 | Very high | 88.4 | Confident | 30 Ų | 30 | 37.3 Ų | 37.3 | 14% | 0.14 | 19% | 0.188 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -82.5 | -1.7 | 173.3 | -68 | -65.1 | 128.5 | 0 | 0 | 113.4 | M82 L83 K84 F88 Y234 F240 | M82-E86 WeakPolarHBondContact O-CG 3.5Å; M82-E86 PolarHBondContact O-N 3.45Å; L83-E86 PolarHBondContact O-N 3.31Å; K84-E86 VanDerWaalsContact C-N 3.27Å; K84-E86 PolarHBondContact O-N 3.46Å; E86-F88 HydrophobicContact CB-CD2 3.82Å; E86-F88 HydrophobicContact CB-CE2 3.83Å; E86-Y234 WeakPolarHBondContact OE1-CE2 3.4Å; E86-Y234 PolarHBondContact OE1-OH 3.24Å; E86-F240 VanDerWaalsContact CD-CB 3.4Å; E86-F240 HydrophobicContact CG-CB 3.68Å; E86-F240 HydrophobicContact CG-CD1 4.06Å; E86-F240 HydrophobicContact CG-CD2 4.21Å; E86-F240 HydrophobicContact CG-CG 3.74Å |
| 87 | G | 91.3 | Very high | 86 | Confident | 0 Ų | 0 | 45.3 Ų | 45.3 | 0% | 0 | 23% | 0.226 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | 17.2 | 175 | 0 | 0 | 0 | 0 | 0 | 115.1 | L83 K84 N85 Y89 S90 W111 | L83-G87 PolarHBondContact O-N 3.03Å; K84-G87 PolarHBondContact O-N 3.21Å; N85-G87 VanDerWaalsContact C-N 3.28Å; G87-Y89 PolarHBondContact O-N 3.09Å; G87-S90 WeakPolarHBondContact O-CB 3.35Å; G87-S90 PolarHBondContact O-N 3.49Å; G87-S90 VanDerWaalsContact O-N 3.1Å; G87-S90 PolarHBondContact O-OG 3.01Å; G87-W111 VanDerWaalsContact CA-CG 3.42Å |
| 88 | F | 94.8 | Very high | 83.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.6 | 126.3 | 176.2 | -78.5 | -109.4 | 0 | 0 | 0 | 110.3 | L83 E86 S90 Q117 L121 A169 A170 S177 I180 | L83-F88 HydrophobicContact CB-CB 4.34Å; L83-F88 HydrophobicContact CB-CD2 4.35Å; L83-F88 HydrophobicContact CB-CG 4.38Å; L83-F88 HydrophobicContact CD2-CD1 4.24Å; L83-F88 HydrophobicContact CD2-CD2 3.87Å; L83-F88 HydrophobicContact CD2-CE1 4.19Å; L83-F88 HydrophobicContact CD2-CE2 3.83Å; L83-F88 HydrophobicContact CD2-CG 4.08Å; L83-F88 HydrophobicContact CD2-CZ 4Å; L83-F88 WeakPolarHBondContact O-CB 3.48Å; L83-F88 WeakPolarHBondContact O-CD2 3.42Å; L83-F88 PolarHBondContact O-N 3.18Å; E86-F88 HydrophobicContact CB-CD2 3.82Å; E86-F88 HydrophobicContact CB-CE2 3.83Å; F88-S90 PolarHBondContact O-N 3.32Å; F88-Q117 VanDerWaalsContact O-CG 3.31Å; F88-Q117 WeakPolarHBondContact O-CG 3.25Å; F88-Q117 PolarHBondContact O-NE2 3.33Å; F88-L121 HydrophobicContact CB-CD2 4.17Å; F88-A169 HydrophobicContact CE1-CB 3.51Å; F88-A169 HydrophobicContact CZ-CB 3.7Å; F88-A170 HydrophobicContact CE2-CB 4.03Å; F88-A170 HydrophobicContact CZ-CB 4.12Å; F88-S177 WeakPolarHBondContact CA-OG 3.39Å; F88-I180 HydrophobicContact CD1-CB 4.37Å; F88-I180 HydrophobicContact CE1-CB 4.37Å; F88-I180 HydrophobicContact CE1-CD1 4.15Å |
| 89 | Y | 94.4 | Very high | 80.9 | Confident | 8 Ų | 8 | 60.6 Ų | 60.6 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 56.2 | 19.8 | -174.7 | -62.6 | -74.2 | 0 | 0 | 0 | 115.9 | G87 H91 L92 M120 L121 S177 V178 I180 F181 | G87-Y89 PolarHBondContact O-N 3.09Å; Y89-H91 AromaticContact CD1-CE1 3.77Å; Y89-H91 PolarHBondContact O-N 2.84Å; Y89-L92 HydrophobicContact CD1-CD1 3.99Å; Y89-L92 HydrophobicContact CG-CD1 4.32Å; Y89-L92 WeakPolarHBondContact O-CB 3.32Å; Y89-L92 PolarHBondContact O-N 2.75Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; Y89-M120 HydrophobicContact CD1-CB 4.45Å; Y89-M120 HydrophobicContact CD2-CB 4.24Å; Y89-M120 HydrophobicContact CE1-CE 4.12Å; Y89-M120 HydrophobicContact CE2-CB 4.42Å; Y89-M120 HydrophobicContact CG-CB 4.25Å; Y89-L121 HydrophobicContact CD2-CD2 3.78Å; Y89-L121 HydrophobicContact CD2-CG 4.07Å; Y89-L121 HydrophobicContact CE2-CD2 4.12Å; Y89-S177 PolarHBondContact N-OG 3.18Å; Y89-S177 PolarHBondContact OH-O 3.29Å; Y89-V178 WeakPolarHBondContact OH-CA 3.18Å; Y89-I180 HydrophobicContact CE2-CG2 3.84Å; Y89-F181 WeakPolarHBondContact OH-CD2 3.38Å; Y89-F181 WeakPolarHBondContact OH-CE2 3.38Å |
| 90 | S | 91.1 | Very high | 78.3 | Confident | 5 Ų | 5 | 64.1 Ų | 64.1 | 4% | 0.035 | 33% | 0.332 | C | S | . | . | G | 310 helix | trans | -60.4 | -27.6 | 177.2 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | G87 F88 L92 C93 | G87-S90 WeakPolarHBondContact O-CB 3.35Å; G87-S90 PolarHBondContact O-N 3.49Å; G87-S90 VanDerWaalsContact O-N 3.1Å; G87-S90 PolarHBondContact O-OG 3.01Å; F88-S90 PolarHBondContact O-N 3.32Å; S90-L92 PolarHBondContact O-N 3.45Å; S90-L92 VanDerWaalsContact O-N 3.16Å; S90-C93 VanDerWaalsContact O-CB 3.3Å; S90-C93 WeakPolarHBondContact O-CB 3.34Å; S90-C93 PolarHBondContact O-N 2.99Å |
| 91 | H | 89.3 | Confident | 75.6 | Confident | 89 Ų | 89 | 70.1 Ų | 70.1 | 41% | 0.412 | 37% | 0.369 | S | S | . | . | G | 310 helix | trans | -62.2 | -17.3 | 176.6 | 66.3 | -95.5 | 0 | 0 | 0 | 114.5 | Y89 C93 | Y89-H91 AromaticContact CD1-CE1 3.77Å; Y89-H91 PolarHBondContact O-N 2.84Å; H91-C93 VanDerWaalsContact C-N 3.26Å |
| 92 | L | 89.2 | Confident | 72.9 | Confident | 59 Ų | 59 | 75.1 Ų | 75.1 | 31% | 0.309 | 40% | 0.396 | S | S | . | . | G | 310 helix | trans | -77 | -17.9 | 174.3 | -61.8 | 179 | 0 | 0 | 0 | 112.1 | Y89 S90 I94 E116 M120 | Y89-L92 HydrophobicContact CD1-CD1 3.99Å; Y89-L92 HydrophobicContact CG-CD1 4.32Å; Y89-L92 WeakPolarHBondContact O-CB 3.32Å; Y89-L92 PolarHBondContact O-N 2.75Å; Y89-L92 VanDerWaalsContact O-N 3.14Å; S90-L92 PolarHBondContact O-N 3.45Å; S90-L92 VanDerWaalsContact O-N 3.16Å; L92-I94 PolarHBondContact O-N 2.93Å; L92-I94 VanDerWaalsContact O-N 3.11Å; L92-E116 HydrophobicContact CB-CB 4.24Å; L92-M120 HydrophobicContact CD1-CB 4.29Å; L92-M120 HydrophobicContact CD1-CG 3.63Å |
| 93 | C | 88.3 | Confident | 70.3 | Confident | 22 Ų | 22 | 87.6 Ų | 87.6 | 15% | 0.149 | 44% | 0.443 | C | S | . | . | trans | -82.8 | 88.8 | 178.4 | -52.3 | 0 | 0 | 0 | 0 | 109.2 | S90 H91 E95 P112 C114 | S90-C93 VanDerWaalsContact O-CB 3.3Å; S90-C93 WeakPolarHBondContact O-CB 3.34Å; S90-C93 PolarHBondContact O-N 2.99Å; H91-C93 VanDerWaalsContact C-N 3.26Å; C93-E95 PolarHBondContact O-N 3.45Å; C93-P112 HydrophobicContact CB-CB 4.21Å; C93-P112 HydrophobicContact CB-CG 4.29Å; C93-C114 WeakPolarHBondContact CA-SG 3.35Å; C93-C114 HydrophobicContact CB-CB 3.73Å; C93-C114 WeakPolarHBondContact CB-SG 3.39Å; C93-C114 WeakPolarHBondContact SG-CB 3.06Å; C93-C114 PolarHBondContact SG-N 3.26Å; C93-C114 CovalentContact SG-SG 2.05Å; C93-C114 PolarHBondContact SG-SG 3.35Å | ||
| 94 | I | 77.6 | Confident | 67.5 | Low | 143 Ų | 143 | 91.4 Ų | 91.4 | 73% | 0.733 | 47% | 0.469 | S | S | * | . | trans | -81.5 | 114.5 | 176.4 | -58 | 173.4 | 0 | 0 | 0 | 108.6 | L92 | L92-I94 PolarHBondContact O-N 2.93Å; L92-I94 VanDerWaalsContact O-N 3.11Å | ||
| 95 | E | 59.1 | Low | 64.9 | Low | 162 Ų | 162 | 96.1 Ų | 96.1 | 76% | 0.757 | 50% | 0.496 | S | S | * | . | trans | -73.6 | 125 | 161.8 | -72.6 | -179.8 | 171.7 | 0 | 0 | 108.3 | C93 E97 | C93-E95 PolarHBondContact O-N 3.45Å; E95-E97 PolarHBondContact O-N 3.09Å | ||
| 96 | N | 45.6 | Very low | 62.7 | Low | 144 Ų | 144 | 99.1 Ų | 99.1 | 77% | 0.77 | 52% | 0.516 | S | S | * | . | trans | -53.5 | 126.3 | 174.2 | -82.3 | -35.2 | 0 | 0 | 0 | 110.2 | T98 | N96-T98 PolarHBondContact O-N 3.09Š| ||
| 97 | E | 43.1 | Very low | 60.1 | Low | 170 Ų | 170 | 105.8 Ų | 105.8 | 79% | 0.794 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -64.2 | 14.8 | -170.8 | -67.6 | -157 | 144.5 | 0 | 0 | 116.6 | E95 F99 A100 | E95-E97 PolarHBondContact O-N 3.09Å; E97-F99 VanDerWaalsContact C-N 3.28Å; E97-F99 PolarHBondContact O-N 3.35Å; E97-A100 WeakPolarHBondContact O-CB 3.24Å; E97-A100 PolarHBondContact O-N 2.73Å |
| 98 | T | 42 | Very low | 57.9 | Low | 130 Ų | 130 | 109.1 Ų | 109.1 | 80% | 0.798 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -80 | -5.5 | 179.2 | 43.8 | 0 | 0 | 0 | 0 | 114.5 | N96 | N96-T98 PolarHBondContact O-N 3.09Š|
| 99 | F | 40.2 | Very low | 56.1 | Low | 196 Ų | 196 | 112.6 Ų | 112.6 | 86% | 0.86 | 62% | 0.617 | S | S | * | * | G | 310 helix | trans | -112.7 | 28 | 168.7 | -83.1 | -87.3 | 0 | 0 | 0 | 113.1 | E97 T101 | E97-F99 VanDerWaalsContact C-N 3.28Å; E97-F99 PolarHBondContact O-N 3.35Å; F99-T101 PolarHBondContact O-N 3.37Å |
| 100 | A | 42.2 | Very low | 54.9 | Low | 75 Ų | 75 | 118.6 Ų | 118.6 | 62% | 0.62 | 64% | 0.64 | S | S | * | * | trans | -71.2 | 65.6 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | E97 | E97-A100 WeakPolarHBondContact O-CB 3.24Å; E97-A100 PolarHBondContact O-N 2.73Å | ||
| 101 | T | 38.4 | Very low | 54.5 | Low | 128 Ų | 128 | 123.6 Ų | 123.6 | 79% | 0.785 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -162.6 | 67.8 | 156.8 | 2.3 | 0 | 0 | 0 | 0 | 108.5 | F99 | F99-T101 PolarHBondContact O-N 3.37Š|
| 102 | N | 35.4 | Very low | 54.3 | Low | 131 Ų | 131 | 121.8 Ų | 121.8 | 70% | 0.701 | 65% | 0.654 | S | S | * | * | trans | 168.9 | 84.5 | 144.2 | -82.1 | -22.6 | 0 | 0 | 0 | 107.2 | S104 | N102-S104 PolarHBondContact O-N 3.48Š| ||
| 103 | R | 41 | Very low | 54.1 | Low | 262 Ų | 262 | 121.4 Ų | 121.4 | 99% | 0.989 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -70.3 | 39.5 | 168.3 | -156.5 | -167.9 | -81.3 | -179 | -6.8 | 111 | ||
| 104 | S | 37.2 | Very low | 54 | Low | 80 Ų | 80 | 121.6 Ų | 121.6 | 56% | 0.559 | 66% | 0.658 | S | S | * | * | trans | -152.2 | 64.1 | -170.6 | 54.3 | 0 | 0 | 0 | 0 | 106.7 | N102 | N102-S104 PolarHBondContact O-N 3.48Š| ||
| 105 | L | 38.9 | Very low | 54.5 | Low | 137 Ų | 137 | 117.2 Ų | 117.2 | 72% | 0.717 | 64% | 0.637 | S | S | * | * | trans | -178 | 58.8 | 153.5 | -92.3 | 164.1 | 0 | 0 | 0 | 107.2 | E107 | L105-E107 HydrophobicContact CD2-CG 3.78Å; L105-E107 PolarHBondContact O-N 2.93Å | ||
| 106 | V | 45 | Very low | 55.9 | Low | 110 Ų | 110 | 114.5 Ų | 114.5 | 67% | 0.667 | 63% | 0.625 | S | S | * | * | trans | -67.8 | 83.8 | 149.2 | 177.7 | 0 | 0 | 0 | 0 | 104.4 | G108 | V106-G108 PolarHBondContact O-N 2.87Š| ||
| 107 | E | 38.2 | Very low | 58.2 | Low | 170 Ų | 170 | 107.6 Ų | 107.6 | 79% | 0.794 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.3 | 104.1 | 173.6 | -80.8 | -173.6 | 145.8 | 0 | 0 | 108 | L105 | L105-E107 HydrophobicContact CD2-CG 3.78Å; L105-E107 PolarHBondContact O-N 2.93Å |
| 108 | G | 44.3 | Very low | 60.5 | Low | 71 Ų | 71 | 99.7 Ų | 99.7 | 73% | 0.732 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 101.5 | 13.6 | 166.9 | 0 | 0 | 0 | 0 | 0 | 118 | V106 R110 | V106-G108 PolarHBondContact O-N 2.87Å; G108-R110 PolarHBondContact O-N 3.21Å |
| 109 | G | 57.6 | Low | 62.9 | Low | 72 Ų | 72 | 96.7 Ų | 96.7 | 74% | 0.742 | 53% | 0.528 | S | S | * | . | S | Bend | trans | 58.3 | 25.2 | 172 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 110 | R | 69.8 | Low | 65.4 | Low | 135 Ų | 135 | 90 Ų | 90 | 51% | 0.509 | 50% | 0.5 | S | S | . | . | trans | -107.6 | 135.3 | -174.2 | -160.3 | 169.9 | -178.3 | -170.2 | -5.8 | 109.9 | G108 E380 | G108-R110 PolarHBondContact O-N 3.21Å; R110-E380 IonicContact CZ-OE2 3.64Å; R110-E380 IonicContact NH1-OE1 3.28Å; R110-E380 IonicContact NH1-OE2 3.91Å; R110-E380 PolarHBondContact NH1-OE2 3.45Å; R110-E380 IonicContact NH2-OE1 3.73Å; R110-E380 IonicContact NH2-OE2 3.91Å; R110-E380 PolarHBondContact NH2-OE2 3.41Å | ||
| 111 | W | 82.8 | Confident | 68 | Low | 109 Ų | 109 | 86.5 Ų | 86.5 | 41% | 0.413 | 47% | 0.471 | S | S | . | . | trans | -70.4 | 143.7 | 179.9 | -64.2 | 100.7 | 0 | 0 | 0 | 111.8 | G87 | G87-W111 VanDerWaalsContact CA-CG 3.42Š| ||
| 112 | P | 84.2 | Confident | 70.7 | Confident | 51 Ų | 51 | 80.4 Ų | 80.4 | 33% | 0.331 | 43% | 0.433 | S | S | . | . | trans | -66.1 | 150.7 | 174.2 | 28.9 | -34.4 | 0 | 0 | 0 | 110.8 | C93 | C93-P112 HydrophobicContact CB-CB 4.21Å; C93-P112 HydrophobicContact CB-CG 4.29Å | ||
| 113 | S | 84.8 | Confident | 73.5 | Confident | 52 Ų | 52 | 76.9 Ų | 76.9 | 36% | 0.364 | 41% | 0.414 | S | S | . | . | trans | -130.7 | 137.8 | 175 | 70.3 | 0 | 0 | 0 | 0 | 112.2 | Q117 | S113-Q117 VanDerWaalsContact CA-OE1 3.22Å; S113-Q117 VanDerWaalsContact CB-OE1 3.31Å | ||
| 114 | C | 87.1 | Confident | 76.2 | Confident | 26 Ų | 26 | 64.5 Ų | 64.5 | 18% | 0.176 | 37% | 0.368 | C | S | . | . | trans | -143.2 | 174.1 | -174.8 | 57.8 | 0 | 0 | 0 | 0 | 111.4 | C93 E116 E118 | C93-C114 WeakPolarHBondContact CA-SG 3.35Å; C93-C114 HydrophobicContact CB-CB 3.73Å; C93-C114 WeakPolarHBondContact CB-SG 3.39Å; C93-C114 WeakPolarHBondContact SG-CB 3.06Å; C93-C114 PolarHBondContact SG-N 3.26Å; C93-C114 CovalentContact SG-SG 2.05Å; C93-C114 PolarHBondContact SG-SG 3.35Å; C114-E116 WeakPolarHBondContact CB-OE2 3.46Å; C114-E118 PolarHBondContact O-N 3.19Å | ||
| 115 | V | 87 | Confident | 79 | Confident | 51 Ų | 51 | 60.7 Ų | 60.7 | 31% | 0.309 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65 | -42 | -179.5 | 167.9 | 0 | 0 | 0 | 0 | 111.4 | Q117 E118 E119 V527 | V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.36Å; V115-E118 PolarHBondContact O-N 2.82Å; V115-E118 VanDerWaalsContact O-N 3.14Å; V115-E119 PolarHBondContact O-N 2.89Å; V115-V527 HydrophobicContact CB-CG1 4.08Å; V115-V527 HydrophobicContact CG1-CB 4.18Å; V115-V527 HydrophobicContact CG1-CG1 3.37Å; V115-V527 HydrophobicContact CG2-CG1 3.59Å |
| 116 | E | 90.1 | Very high | 81.7 | Confident | 104 Ų | 104 | 54.5 Ų | 54.5 | 49% | 0.486 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.2 | -39.5 | -177.5 | -63.8 | 74.8 | -167.7 | 0 | 0 | 111.3 | L92 C114 E119 M120 | L92-E116 HydrophobicContact CB-CB 4.24Å; C114-E116 WeakPolarHBondContact CB-OE2 3.46Å; E116-E119 PolarHBondContact O-N 3.33Å; E116-M120 WeakPolarHBondContact O-CG 3.38Å; E116-M120 PolarHBondContact O-N 3.3Å; E116-M120 VanDerWaalsContact O-N 3.16Å |
| 117 | Q | 92.6 | Very high | 84.2 | Confident | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.1 | -47.3 | 173.7 | -176.7 | -167.9 | 37.9 | 0 | 0 | 111 | F88 S113 V115 M120 L121 | F88-Q117 VanDerWaalsContact O-CG 3.31Å; F88-Q117 WeakPolarHBondContact O-CG 3.25Å; F88-Q117 PolarHBondContact O-NE2 3.33Å; S113-Q117 VanDerWaalsContact CA-OE1 3.22Å; S113-Q117 VanDerWaalsContact CB-OE1 3.31Å; V115-Q117 VanDerWaalsContact C-N 3.32Å; V115-Q117 PolarHBondContact O-N 3.36Å; Q117-M120 PolarHBondContact O-N 3.01Å; Q117-L121 HydrophobicContact CG-CD1 4.12Å; Q117-L121 WeakPolarHBondContact O-CG 3.42Å; Q117-L121 PolarHBondContact O-N 3.03Å |
| 118 | E | 91.3 | Very high | 86.9 | Confident | 4 Ų | 4 | 43.4 Ų | 43.4 | 2% | 0.019 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -69.4 | -36.2 | -179.9 | -74.1 | -170.7 | -154.4 | 0 | 0 | 113.1 | K84 C114 V115 M120 L121 N122 K358 | K84-E118 HydrophobicContact CD-CG 4.04Å; K84-E118 WeakPolarHBondContact CE-OE1 3.5Å; K84-E118 IonicContact NZ-OE1 2.67Å; K84-E118 PolarHBondContact NZ-OE1 3.37Å; C114-E118 PolarHBondContact O-N 3.19Å; V115-E118 PolarHBondContact O-N 2.82Å; V115-E118 VanDerWaalsContact O-N 3.14Å; E118-M120 VanDerWaalsContact C-N 3.33Å; E118-M120 PolarHBondContact O-N 2.97Å; E118-L121 PolarHBondContact O-N 2.95Å; E118-N122 VanDerWaalsContact O-CB 3.26Å; E118-N122 WeakPolarHBondContact O-CB 3.38Å; E118-N122 PolarHBondContact O-N 2.93Å; E118-N122 PolarHBondContact O-ND2 3.29Å; E118-K358 WeakPolarHBondContact OE1-CE 3.31Å; E118-K358 IonicContact OE1-NZ 2.71Å; E118-K358 WeakPolarHBondContact OE2-CE 3.44Å; E118-K358 WeakPolarHBondContact OE2-CG 3.45Å |
| 119 | E | 92.3 | Very high | 89.3 | Confident | 66 Ų | 66 | 40.3 Ų | 40.3 | 31% | 0.308 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -58.5 | -47 | 174.5 | -174.6 | -177.4 | 157.4 | 0 | 0 | 111 | V115 E116 N122 L123 Q520 I524 | V115-E119 PolarHBondContact O-N 2.89Å; E116-E119 PolarHBondContact O-N 3.33Å; E119-N122 PolarHBondContact O-N 3.32Å; E119-L123 PolarHBondContact O-N 3.41Å; E119-Q520 PolarHBondContact O-NE2 3.46Å; E119-I524 HydrophobicContact CG-CD1 4.29Å; E119-I524 HydrophobicContact CG-CG1 3.86Å; E119-I524 WeakPolarHBondContact OE1-CD1 3.1Å; E119-I524 WeakPolarHBondContact OE1-CG1 3.33Å |
| 120 | M | 94.3 | Very high | 91.2 | Very high | 57 Ų | 57 | 39.5 Ų | 39.5 | 28% | 0.281 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -64.9 | -41.5 | 177.9 | -75.9 | -59.1 | -63.5 | 0 | 0 | 112.7 | Y89 L92 E116 Q117 E118 L123 G124 F181 | Y89-M120 HydrophobicContact CD1-CB 4.45Å; Y89-M120 HydrophobicContact CD2-CB 4.24Å; Y89-M120 HydrophobicContact CE1-CE 4.12Å; Y89-M120 HydrophobicContact CE2-CB 4.42Å; Y89-M120 HydrophobicContact CG-CB 4.25Å; L92-M120 HydrophobicContact CD1-CB 4.29Å; L92-M120 HydrophobicContact CD1-CG 3.63Å; E116-M120 WeakPolarHBondContact O-CG 3.38Å; E116-M120 PolarHBondContact O-N 3.3Å; E116-M120 VanDerWaalsContact O-N 3.16Å; Q117-M120 PolarHBondContact O-N 3.01Å; E118-M120 VanDerWaalsContact C-N 3.33Å; E118-M120 PolarHBondContact O-N 2.97Å; M120-L123 WeakPolarHBondContact O-CB 3.32Å; M120-L123 PolarHBondContact O-N 2.94Å; M120-G124 PolarHBondContact O-N 3.18Å; M120-F181 HydrophobicContact CE-CE2 3.79Å; M120-F181 HydrophobicContact CE-CZ 3.61Å |
| 121 | L | 95.4 | Very high | 92.4 | Very high | 1 Ų | 1 | 36.8 Ų | 36.8 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -67.2 | -42.1 | 176.5 | -70.7 | 171.9 | 0 | 0 | 0 | 111.5 | W76 L80 L83 K84 F88 Y89 Q117 E118 L123 G124 F125 | W76-L121 HydrophobicContact CH2-CB 4.44Å; W76-L121 WeakPolarHBondContact CH2-O 3.19Å; W76-L121 HydrophobicContact CZ2-CB 3.99Å; W76-L121 WeakPolarHBondContact CZ2-O 3.42Å; L80-L121 HydrophobicContact CD1-CB 3.68Å; L80-L121 HydrophobicContact CD1-CD1 3.74Å; L80-L121 HydrophobicContact CD1-CG 4.34Å; L83-L121 HydrophobicContact CB-CD1 4.36Å; L83-L121 HydrophobicContact CB-CD2 4.33Å; L83-L121 HydrophobicContact CD1-CD2 4.07Å; K84-L121 HydrophobicContact CG-CD1 4.07Å; F88-L121 HydrophobicContact CB-CD2 4.17Å; Y89-L121 HydrophobicContact CD2-CD2 3.78Å; Y89-L121 HydrophobicContact CD2-CG 4.07Å; Y89-L121 HydrophobicContact CE2-CD2 4.12Å; Q117-L121 HydrophobicContact CG-CD1 4.12Å; Q117-L121 WeakPolarHBondContact O-CG 3.42Å; Q117-L121 PolarHBondContact O-N 3.03Å; E118-L121 PolarHBondContact O-N 2.95Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 2.99Å; L121-G124 VanDerWaalsContact O-CA 3.3Å; L121-G124 WeakPolarHBondContact O-CA 3.48Å; L121-G124 PolarHBondContact O-N 2.91Å; L121-F125 PolarHBondContact O-N 2.87Å |
| 122 | N | 95.1 | Very high | 92.9 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -68.4 | -27.9 | 176.9 | -81.7 | -35.3 | 0 | 0 | 0 | 113 | W76 E118 E119 G124 F125 T126 G354 Q520 F523 | W76-N122 PolarHBondContact NE1-OD1 2.71Å; E118-N122 VanDerWaalsContact O-CB 3.26Å; E118-N122 WeakPolarHBondContact O-CB 3.38Å; E118-N122 PolarHBondContact O-N 2.93Å; E118-N122 PolarHBondContact O-ND2 3.29Å; E119-N122 PolarHBondContact O-N 3.32Å; N122-G124 VanDerWaalsContact C-N 3.27Å; N122-G124 PolarHBondContact O-N 3.07Å; N122-F125 WeakPolarHBondContact O-CB 3.34Å; N122-F125 PolarHBondContact O-N 3.42Å; N122-T126 PolarHBondContact O-N 3.04Å; N122-T126 PolarHBondContact O-OG1 3.04Å; N122-G354 PolarHBondContact OD1-O 3.46Å; N122-Q520 VanDerWaalsContact C-OE1 3.24Å; N122-Q520 PolarHBondContact O-OE1 2.87Å; N122-F523 HydrophobicContact CB-CD1 4.25Å; N122-F523 HydrophobicContact CB-CE1 4.3Å; N122-F523 VanDerWaalsContact ND2-CE1 3.3Å; N122-F523 WeakPolarHBondContact ND2-CE1 3.43Å; N122-F523 WeakPolarHBondContact ND2-CE2 3.41Å; N122-F523 WeakPolarHBondContact ND2-CZ 3.47Å |
| 123 | L | 95.6 | Very high | 93.3 | Very high | 57 Ų | 57 | 29.9 Ų | 29.9 | 30% | 0.298 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -61.3 | -41.2 | 166.7 | 179.4 | 62.9 | 0 | 0 | 0 | 110.4 | E119 M120 L121 T126 I127 F181 Q520 | E119-L123 PolarHBondContact O-N 3.41Å; M120-L123 WeakPolarHBondContact O-CB 3.32Å; M120-L123 PolarHBondContact O-N 2.94Å; L121-L123 VanDerWaalsContact C-N 3.31Å; L121-L123 PolarHBondContact O-N 2.99Å; L123-T126 WeakPolarHBondContact O-CB 3.39Å; L123-T126 PolarHBondContact O-N 3.43Å; L123-I127 HydrophobicContact CD1-CD1 4.25Å; L123-I127 HydrophobicContact CD1-CG1 4.48Å; L123-I127 HydrophobicContact CG-CD1 4.05Å; L123-I127 WeakPolarHBondContact O-CG1 3.41Å; L123-I127 PolarHBondContact O-N 3.13Å; L123-F181 HydrophobicContact CB-CE1 4.15Å; L123-F181 HydrophobicContact CD2-CE1 4.03Å; L123-F181 HydrophobicContact CD2-CZ 4.05Å; L123-F181 HydrophobicContact CG-CE1 3.88Å; L123-F181 HydrophobicContact CG-CZ 4.36Å; L123-Q520 HydrophobicContact CD1-CG 4.03Å |
| 124 | G | 96 | Very high | 93.6 | Very high | 1 Ų | 1 | 28 Ų | 28 | 1% | 0.01 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -58.1 | -48.7 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | M120 L121 N122 T126 I127 G128 V184 | M120-G124 PolarHBondContact O-N 3.18Å; L121-G124 VanDerWaalsContact O-CA 3.3Å; L121-G124 WeakPolarHBondContact O-CA 3.48Å; L121-G124 PolarHBondContact O-N 2.91Å; N122-G124 VanDerWaalsContact C-N 3.27Å; N122-G124 PolarHBondContact O-N 3.07Å; G124-T126 VanDerWaalsContact C-N 3.32Å; G124-T126 PolarHBondContact O-N 3.38Å; G124-I127 PolarHBondContact O-N 2.86Å; G124-G128 PolarHBondContact O-N 3.23Å; G124-V184 WeakPolarHBondContact O-CG2 3.33Å |
| 125 | F | 96.2 | Very high | 93.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -57.7 | -42.9 | 173.7 | 173.1 | -116.9 | 0 | 0 | 0 | 113.1 | L73 W76 L121 N122 I127 G128 S129 I350 M353 | L73-F125 VanDerWaalsContact O-CE2 3.27Å; L73-F125 WeakPolarHBondContact O-CE2 3.16Å; W76-F125 HydrophobicContact CB-CD2 3.55Å; W76-F125 HydrophobicContact CB-CE2 3.61Å; W76-F125 HydrophobicContact CB-CG 4.12Å; W76-F125 HydrophobicContact CB-CZ 4.22Å; W76-F125 AromaticContact CD1-CG 3.86Å; W76-F125 HydrophobicContact CD2-CB 3.56Å; W76-F125 AromaticContact CD2-CD2 3.75Å; W76-F125 HydrophobicContact CD2-CD2 3.75Å; W76-F125 AromaticContact CD2-CG 3.77Å; W76-F125 HydrophobicContact CD2-CG 3.77Å; W76-F125 VanDerWaalsContact CE2-CB 3.5Å; W76-F125 HydrophobicContact CE3-CB 3.9Å; W76-F125 AromaticContact CE3-CD2 3.98Å; W76-F125 HydrophobicContact CE3-CD2 3.98Å; W76-F125 HydrophobicContact CE3-CG 4.27Å; W76-F125 HydrophobicContact CG-CB 3.97Å; W76-F125 HydrophobicContact CG-CD1 4.27Å; W76-F125 AromaticContact CG-CD2 3.54Å; W76-F125 HydrophobicContact CG-CD2 3.54Å; W76-F125 HydrophobicContact CG-CE2 4.08Å; W76-F125 AromaticContact CG-CG 3.65Å; W76-F125 HydrophobicContact CG-CG 3.65Å; W76-F125 HydrophobicContact CH2-CB 4.15Å; W76-F125 HydrophobicContact CZ2-CB 3.81Å; W76-F125 HydrophobicContact CZ3-CB 4.18Å; L121-F125 PolarHBondContact O-N 2.87Å; N122-F125 WeakPolarHBondContact O-CB 3.34Å; N122-F125 PolarHBondContact O-N 3.42Å; F125-I127 PolarHBondContact O-N 3.08Å; F125-G128 PolarHBondContact O-N 3.42Å; F125-S129 WeakPolarHBondContact CD2-OG 3.48Å; F125-S129 WeakPolarHBondContact CE2-OG 3.44Å; F125-S129 WeakPolarHBondContact CZ-OG 3.42Å; F125-S129 VanDerWaalsContact O-CB 3.24Å; F125-S129 WeakPolarHBondContact O-CB 3.42Å; F125-S129 PolarHBondContact O-N 3.24Å; F125-S129 PolarHBondContact O-OG 3.46Å; F125-I350 HydrophobicContact CE1-CG2 3.77Å; F125-I350 HydrophobicContact CZ-CG2 4.07Å; F125-M353 HydrophobicContact CE1-CB 4.43Å; F125-M353 HydrophobicContact CZ-CB 4Å |
| 126 | T | 96.4 | Very high | 93.9 | Very high | 7 Ų | 7 | 25.1 Ų | 25.1 | 4% | 0.043 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -58.8 | -48.5 | 177.7 | -54.3 | 0 | 0 | 0 | 0 | 110.5 | N122 L123 G124 F130 L517 Q519 Q520 | N122-T126 PolarHBondContact O-N 3.04Å; N122-T126 PolarHBondContact O-OG1 3.04Å; L123-T126 WeakPolarHBondContact O-CB 3.39Å; L123-T126 PolarHBondContact O-N 3.43Å; G124-T126 VanDerWaalsContact C-N 3.32Å; G124-T126 PolarHBondContact O-N 3.38Å; T126-F130 WeakPolarHBondContact O-CB 3.16Å; T126-F130 PolarHBondContact O-N 2.96Å; T126-L517 HydrophobicContact CG2-CD2 3.87Å; T126-Q519 PolarHBondContact OG1-NE2 2.99Å; T126-Q519 PolarHBondContact OG1-OE1 2.85Å; T126-Q520 HydrophobicContact CG2-CB 4.21Å; T126-Q520 PolarHBondContact OG1-OE1 3.1Å |
| 127 | I | 96.4 | Very high | 93.8 | Very high | 48 Ų | 48 | 21.7 Ų | 21.7 | 25% | 0.246 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -65.6 | -46 | 179.8 | -66.9 | 166.2 | 0 | 0 | 0 | 111 | L123 G124 F125 S129 F130 F131 F181 S185 | L123-I127 HydrophobicContact CD1-CD1 4.25Å; L123-I127 HydrophobicContact CD1-CG1 4.48Å; L123-I127 HydrophobicContact CG-CD1 4.05Å; L123-I127 WeakPolarHBondContact O-CG1 3.41Å; L123-I127 PolarHBondContact O-N 3.13Å; G124-I127 PolarHBondContact O-N 2.86Å; F125-I127 PolarHBondContact O-N 3.08Å; I127-S129 PolarHBondContact O-N 3.23Å; I127-F130 WeakPolarHBondContact O-CB 3.27Å; I127-F130 PolarHBondContact O-N 3.45Å; I127-F131 HydrophobicContact CG2-CD2 3.95Å; I127-F131 HydrophobicContact CG2-CE2 3.85Å; I127-F131 WeakPolarHBondContact O-CD2 3.29Å; I127-F131 PolarHBondContact O-N 3.01Å; I127-F181 HydrophobicContact CD1-CD1 3.75Å; I127-F181 HydrophobicContact CD1-CE1 4.02Å; I127-S185 VanDerWaalsContact CG2-OG 3.28Å; I127-S185 WeakPolarHBondContact CG2-OG 3.35Å |
| 128 | G | 96.4 | Very high | 93.7 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | G124 F125 F130 F131 L132 V184 | G124-G128 PolarHBondContact O-N 3.23Å; F125-G128 PolarHBondContact O-N 3.42Å; G128-F130 VanDerWaalsContact C-N 3.33Å; G128-F130 PolarHBondContact O-N 3.37Å; G128-F131 PolarHBondContact O-N 2.89Å; G128-L132 WeakPolarHBondContact O-CB 3.41Å; G128-L132 PolarHBondContact O-N 3.24Å; G128-V184 WeakPolarHBondContact CA-O 3.28Å |
| 129 | S | 95.1 | Very high | 93.5 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 4% | 0.035 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.2 | -33.9 | 176.6 | -64.4 | 0 | 0 | 0 | 0 | 112.7 | F125 I127 L132 S133 | F125-S129 WeakPolarHBondContact CD2-OG 3.48Å; F125-S129 WeakPolarHBondContact CE2-OG 3.44Å; F125-S129 WeakPolarHBondContact CZ-OG 3.42Å; F125-S129 VanDerWaalsContact O-CB 3.24Å; F125-S129 WeakPolarHBondContact O-CB 3.42Å; F125-S129 PolarHBondContact O-N 3.24Å; F125-S129 PolarHBondContact O-OG 3.46Å; I127-S129 PolarHBondContact O-N 3.23Å; S129-L132 WeakPolarHBondContact O-CB 3.37Å; S129-L132 PolarHBondContact O-N 3.35Å; S129-S133 PolarHBondContact O-N 2.92Å |
| 130 | F | 95.9 | Very high | 93 | Very high | 56 Ų | 56 | 22.5 Ų | 22.5 | 25% | 0.246 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -60 | -51.5 | 171.1 | 171.3 | -96.8 | 0 | 0 | 0 | 110.8 | T126 I127 G128 L132 S133 A134 A513 L517 | T126-F130 WeakPolarHBondContact O-CB 3.16Å; T126-F130 PolarHBondContact O-N 2.96Å; I127-F130 WeakPolarHBondContact O-CB 3.27Å; I127-F130 PolarHBondContact O-N 3.45Å; G128-F130 VanDerWaalsContact C-N 3.33Å; G128-F130 PolarHBondContact O-N 3.37Å; F130-L132 VanDerWaalsContact C-N 3.3Å; F130-L132 PolarHBondContact O-N 3.17Å; F130-S133 PolarHBondContact O-N 3.19Å; F130-S133 VanDerWaalsContact O-N 3.1Å; F130-A134 HydrophobicContact CD1-CB 4.16Å; F130-A134 HydrophobicContact CD2-CB 4.1Å; F130-A134 HydrophobicContact CE1-CB 3.79Å; F130-A134 HydrophobicContact CE2-CB 3.72Å; F130-A134 HydrophobicContact CG-CB 4.31Å; F130-A134 HydrophobicContact CZ-CB 3.56Å; F130-A134 WeakPolarHBondContact O-CB 3.19Å; F130-A134 PolarHBondContact O-N 2.8Å; F130-A513 HydrophobicContact CD2-CB 3.99Å; F130-A513 HydrophobicContact CE2-CB 4.34Å; F130-L517 HydrophobicContact CB-CD2 3.82Å; F130-L517 HydrophobicContact CD2-CD1 4.01Å; F130-L517 HydrophobicContact CD2-CD2 3.82Å; F130-L517 HydrophobicContact CD2-CG 3.92Å; F130-L517 HydrophobicContact CE2-CD1 4.12Å; F130-L517 HydrophobicContact CG-CD2 3.97Å |
| 131 | F | 96.1 | Very high | 92.5 | Very high | 77 Ų | 77 | 25.1 Ų | 25.1 | 34% | 0.338 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.3 | -34 | 178.7 | -81 | -70.1 | 0 | 0 | 0 | 113.4 | I127 G128 S133 A135 F189 | I127-F131 HydrophobicContact CG2-CD2 3.95Å; I127-F131 HydrophobicContact CG2-CE2 3.85Å; I127-F131 WeakPolarHBondContact O-CD2 3.29Å; I127-F131 PolarHBondContact O-N 3.01Å; G128-F131 PolarHBondContact O-N 2.89Å; F131-S133 PolarHBondContact O-N 2.89Å; F131-A135 WeakPolarHBondContact O-CB 3.49Å; F131-F189 HydrophobicContact CB-CB 4.46Å |
| 132 | L | 93.3 | Very high | 92 | Very high | 3 Ų | 3 | 28.1 Ų | 28.1 | 2% | 0.016 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -59.2 | -25.7 | 174.5 | -174.8 | 68.5 | 0 | 0 | 0 | 112.8 | A71 L74 G128 S129 F130 G188 I192 | A71-L132 HydrophobicContact CB-CD1 4.36Å; A71-L132 HydrophobicContact CB-CD2 4.11Å; L74-L132 HydrophobicContact CD1-CD2 4.08Å; L74-L132 HydrophobicContact CD2-CD2 4.17Å; L74-L132 HydrophobicContact CG-CD2 4.05Å; G128-L132 WeakPolarHBondContact O-CB 3.41Å; G128-L132 PolarHBondContact O-N 3.24Å; S129-L132 WeakPolarHBondContact O-CB 3.37Å; S129-L132 PolarHBondContact O-N 3.35Å; F130-L132 VanDerWaalsContact C-N 3.3Å; F130-L132 PolarHBondContact O-N 3.17Å; L132-G188 WeakPolarHBondContact CA-O 3.49Å; L132-G188 WeakPolarHBondContact CD1-O 3.28Å; L132-I192 HydrophobicContact CD1-CB 4.19Å; L132-I192 VanDerWaalsContact O-CB 3.23Å; L132-I192 WeakPolarHBondContact O-CB 3.33Å; L132-I192 WeakPolarHBondContact O-CD1 3.35Å; L132-I192 WeakPolarHBondContact O-CG1 3.48Å |
| 133 | S | 91.3 | Very high | 91.4 | Very high | 13 Ų | 13 | 29.1 Ų | 29.1 | 9% | 0.091 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -113.4 | -37.4 | -178.4 | -60.7 | 0 | 0 | 0 | 0 | 113.5 | S129 F130 F131 A135 T136 | S129-S133 PolarHBondContact O-N 2.92Å; F130-S133 PolarHBondContact O-N 3.19Å; F130-S133 VanDerWaalsContact O-N 3.1Å; F131-S133 PolarHBondContact O-N 2.89Å; S133-A135 VanDerWaalsContact C-N 3.33Å; S133-A135 PolarHBondContact O-N 3.04Å; S133-T136 WeakPolarHBondContact O-CG2 3.26Å; S133-T136 PolarHBondContact O-N 2.75Å; S133-T136 PolarHBondContact O-OG1 3.28Å |
| 134 | A | 92.6 | Very high | 90.7 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 10% | 0.099 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -69.1 | -30.4 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | F130 T136 T510 A513 | F130-A134 HydrophobicContact CD1-CB 4.16Å; F130-A134 HydrophobicContact CD2-CB 4.1Å; F130-A134 HydrophobicContact CE1-CB 3.79Å; F130-A134 HydrophobicContact CE2-CB 3.72Å; F130-A134 HydrophobicContact CG-CB 4.31Å; F130-A134 HydrophobicContact CZ-CB 3.56Å; F130-A134 WeakPolarHBondContact O-CB 3.19Å; F130-A134 PolarHBondContact O-N 2.8Å; A134-T136 PolarHBondContact O-N 2.93Å; A134-T510 PolarHBondContact O-OG1 3.3Å; A134-A513 HydrophobicContact CB-CB 4Å |
| 135 | A | 92.3 | Very high | 90 | Very high | 8 Ų | 8 | 39.8 Ų | 39.8 | 7% | 0.066 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.9 | -11 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | F131 S133 L137 P138 L139 F189 I192 | F131-A135 WeakPolarHBondContact O-CB 3.49Å; S133-A135 VanDerWaalsContact C-N 3.33Å; S133-A135 PolarHBondContact O-N 3.04Å; A135-L137 VanDerWaalsContact C-N 3.34Å; A135-L137 PolarHBondContact O-N 2.89Å; A135-P138 WeakPolarHBondContact O-CD 3.38Å; A135-P138 VanDerWaalsContact O-CG 3.27Å; A135-P138 WeakPolarHBondContact O-CG 3.3Å; A135-L139 HydrophobicContact CB-CD1 3.85Å; A135-L139 HydrophobicContact CB-CG 4.29Å; A135-L139 WeakPolarHBondContact O-CB 3.41Å; A135-L139 WeakPolarHBondContact O-CD1 3.45Å; A135-L139 WeakPolarHBondContact O-CG 3.35Å; A135-L139 PolarHBondContact O-N 3.08Å; A135-F189 HydrophobicContact CB-CD2 3.73Å; A135-F189 HydrophobicContact CB-CE2 3.99Å; A135-I192 HydrophobicContact CB-CG2 3.94Å |
| 136 | T | 88.4 | Confident | 89.3 | Confident | 8 Ų | 8 | 45.2 Ų | 45.2 | 5% | 0.049 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60 | -39.5 | -176.9 | 51.9 | 0 | 0 | 0 | 0 | 113.8 | S133 A134 G140 I192 G506 S509 | S133-T136 WeakPolarHBondContact O-CG2 3.26Å; S133-T136 PolarHBondContact O-N 2.75Å; S133-T136 PolarHBondContact O-OG1 3.28Å; A134-T136 PolarHBondContact O-N 2.93Å; T136-G140 PolarHBondContact O-N 2.94Å; T136-I192 HydrophobicContact CG2-CD1 3.74Å; T136-I192 HydrophobicContact CG2-CG1 3.66Å; T136-G506 PolarHBondContact OG1-O 3.04Å; T136-S509 WeakPolarHBondContact OG1-CB 3.48Å |
| 137 | L | 87.7 | Confident | 88.8 | Confident | 33 Ų | 33 | 45.1 Ų | 45.1 | 17% | 0.173 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -55.2 | 179.5 | -178.4 | 68.5 | 0 | 0 | 0 | 112.5 | A135 L139 G140 I141 T503 F507 T510 | A135-L137 VanDerWaalsContact C-N 3.34Å; A135-L137 PolarHBondContact O-N 2.89Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 3.31Å; L137-G140 PolarHBondContact O-N 3.22Å; L137-I141 PolarHBondContact O-N 2.92Å; L137-T503 HydrophobicContact CD1-CG2 4.37Å; L137-F507 HydrophobicContact CD1-CD2 3.75Å; L137-F507 HydrophobicContact CD1-CE2 3.89Å; L137-F507 HydrophobicContact CD1-CG 4.08Å; L137-F507 HydrophobicContact CD1-CZ 4.36Å; L137-F507 HydrophobicContact CD2-CD1 3.94Å; L137-F507 HydrophobicContact CD2-CE1 3.83Å; L137-F507 HydrophobicContact CD2-CE2 4.42Å; L137-F507 HydrophobicContact CD2-CG 4.29Å; L137-F507 HydrophobicContact CD2-CZ 4.07Å; L137-T510 WeakPolarHBondContact CB-OG1 3.28Å |
| 138 | P | 89 | Confident | 88.4 | Confident | 75 Ų | 75 | 42.9 Ų | 42.9 | 49% | 0.487 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -63.9 | -34.3 | 177.2 | 23.6 | -32.9 | 0 | 0 | 0 | 112.1 | A135 G140 I141 L142 | A135-P138 WeakPolarHBondContact O-CD 3.38Å; A135-P138 VanDerWaalsContact O-CG 3.27Å; A135-P138 WeakPolarHBondContact O-CG 3.3Å; P138-G140 VanDerWaalsContact C-N 3.33Å; P138-G140 PolarHBondContact O-N 3.11Å; P138-I141 PolarHBondContact O-N 2.94Å; P138-L142 WeakPolarHBondContact O-CB 3.26Å; P138-L142 PolarHBondContact O-N 3.48Å |
| 139 | L | 87.4 | Confident | 88.1 | Confident | 5 Ų | 5 | 44.1 Ų | 44.1 | 3% | 0.026 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 174.8 | -70.6 | 173.3 | 0 | 0 | 0 | 112.5 | A135 L137 L142 M143 I151 F189 I192 C193 F196 | A135-L139 HydrophobicContact CB-CD1 3.85Å; A135-L139 HydrophobicContact CB-CG 4.29Å; A135-L139 WeakPolarHBondContact O-CB 3.41Å; A135-L139 WeakPolarHBondContact O-CD1 3.45Å; A135-L139 WeakPolarHBondContact O-CG 3.35Å; A135-L139 PolarHBondContact O-N 3.08Å; L137-L139 VanDerWaalsContact C-N 3.27Å; L137-L139 PolarHBondContact O-N 3.31Å; L139-L142 PolarHBondContact O-N 3.15Å; L139-M143 WeakPolarHBondContact O-CB 3.43Å; L139-M143 PolarHBondContact O-N 3.47Å; L139-I151 HydrophobicContact CD2-CG2 3.79Å; L139-F189 HydrophobicContact CD2-CE2 4.36Å; L139-F189 HydrophobicContact CD2-CZ 4.43Å; L139-I192 HydrophobicContact CD1-CG1 4.47Å; L139-I192 HydrophobicContact CD1-CG2 3.84Å; L139-C193 VanDerWaalsContact CD2-SG 3.56Å; L139-F196 HydrophobicContact CB-CD1 4.35Å |
| 140 | G | 82.2 | Confident | 88 | Confident | 7 Ų | 7 | 45.2 Ų | 45.2 | 7% | 0.072 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -52.8 | -56.5 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T136 L137 P138 L142 M143 D144 | T136-G140 PolarHBondContact O-N 2.94Å; L137-G140 PolarHBondContact O-N 3.22Å; P138-G140 VanDerWaalsContact C-N 3.33Å; P138-G140 PolarHBondContact O-N 3.11Å; G140-L142 VanDerWaalsContact C-N 3.3Å; G140-L142 PolarHBondContact O-N 3.49Å; G140-M143 PolarHBondContact O-N 3.38Å; G140-D144 PolarHBondContact O-N 2.94Å; G140-D144 VanDerWaalsContact O-N 3.08Å |
| 141 | I | 83.5 | Confident | 87.8 | Confident | 111 Ų | 111 | 42.6 Ų | 42.6 | 57% | 0.569 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.6 | -41 | -179.9 | -59.7 | 169.6 | 0 | 0 | 0 | 111.1 | L137 P138 M143 K145 | L137-I141 PolarHBondContact O-N 2.92Å; P138-I141 PolarHBondContact O-N 2.94Å; I141-M143 VanDerWaalsContact C-N 3.32Å; I141-K145 PolarHBondContact O-N 3.13Å |
| 142 | L | 85.6 | Confident | 87.7 | Confident | 64 Ų | 64 | 39 Ų | 39 | 34% | 0.335 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -66.7 | -37.6 | 179.8 | -162.7 | 71.5 | 0 | 0 | 0 | 111.3 | P138 L139 G140 K145 F146 I151 | P138-L142 WeakPolarHBondContact O-CB 3.26Å; P138-L142 PolarHBondContact O-N 3.48Å; L139-L142 PolarHBondContact O-N 3.15Å; G140-L142 VanDerWaalsContact C-N 3.3Å; G140-L142 PolarHBondContact O-N 3.49Å; L142-K145 PolarHBondContact O-N 3.49Å; L142-F146 HydrophobicContact CD1-CD2 3.29Å; L142-F146 HydrophobicContact CD1-CE2 3.39Å; L142-F146 HydrophobicContact CG-CD2 3.86Å; L142-F146 HydrophobicContact CG-CE2 4.43Å; L142-F146 PolarHBondContact O-N 3.33Å; L142-I151 HydrophobicContact CB-CD1 3.9Å; L142-I151 HydrophobicContact CD2-CD1 4.12Å; L142-I151 HydrophobicContact CD2-CG1 3.85Å; L142-I151 HydrophobicContact CG-CD1 3.99Å; L142-I151 HydrophobicContact CG-CG1 4.1Å |
| 143 | M | 82.6 | Confident | 87.8 | Confident | 21 Ų | 21 | 40.9 Ų | 40.9 | 10% | 0.103 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -69.5 | -38.6 | -178.5 | -171.9 | 175.1 | 72.6 | 0 | 0 | 111.1 | L139 G140 I141 K145 G147 I151 F196 I200 | L139-M143 WeakPolarHBondContact O-CB 3.43Å; L139-M143 PolarHBondContact O-N 3.47Å; G140-M143 PolarHBondContact O-N 3.38Å; I141-M143 VanDerWaalsContact C-N 3.32Å; M143-K145 VanDerWaalsContact C-N 3.29Å; M143-K145 PolarHBondContact O-N 2.9Å; M143-G147 WeakPolarHBondContact O-CA 3.26Å; M143-G147 PolarHBondContact O-N 3.38Å; M143-I151 HydrophobicContact CB-CD1 3.58Å; M143-I151 HydrophobicContact CG-CD1 4.25Å; M143-I151 VanDerWaalsContact N-CD1 3.28Å; M143-F196 HydrophobicContact CB-CE1 4.23Å; M143-F196 HydrophobicContact CE-CD1 3.85Å; M143-F196 HydrophobicContact CE-CE1 3.23Å; M143-F196 HydrophobicContact CE-CZ 3.86Å; M143-F196 HydrophobicContact SD-CD1 3.53Å; M143-F196 VanDerWaalsContact SD-CD1 3.53Å; M143-F196 HydrophobicContact SD-CE1 3.56Å; M143-F196 VanDerWaalsContact SD-CE1 3.56Å; M143-I200 HydrophobicContact CE-CG2 3.65Å; M143-I200 HydrophobicContact SD-CD1 4.25Å; M143-I200 HydrophobicContact SD-CG2 3.85Å |
| 144 | D | 80 | Confident | 88 | Confident | 123 Ų | 123 | 43 Ų | 43 | 66% | 0.658 | 22% | 0.224 | S | C | * | . | H | α-helix | trans | -65.9 | -33.9 | 175.6 | -65.8 | -19.1 | 0 | 0 | 0 | 111.7 | G140 | G140-D144 PolarHBondContact O-N 2.94Å; G140-D144 VanDerWaalsContact O-N 3.08Å |
| 145 | K | 80.9 | Confident | 88.2 | Confident | 160 Ų | 160 | 42.4 Ų | 42.4 | 70% | 0.696 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -86.3 | -42.9 | -176.9 | -174.8 | 173.6 | 177.8 | -178.4 | 0 | 114.3 | I141 L142 M143 | I141-K145 PolarHBondContact O-N 3.13Å; L142-K145 PolarHBondContact O-N 3.49Å; M143-K145 VanDerWaalsContact C-N 3.29Å; M143-K145 PolarHBondContact O-N 2.9Å |
| 146 | F | 83.2 | Confident | 88.4 | Confident | 113 Ų | 113 | 42 Ų | 42 | 50% | 0.496 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -113 | -3.8 | -170.8 | -62 | -74.7 | 0 | 0 | 0 | 113.5 | L142 P150 | L142-F146 HydrophobicContact CD1-CD2 3.29Å; L142-F146 HydrophobicContact CD1-CE2 3.39Å; L142-F146 HydrophobicContact CG-CD2 3.86Å; L142-F146 HydrophobicContact CG-CE2 4.43Å; L142-F146 PolarHBondContact O-N 3.33Å; F146-P150 HydrophobicContact CB-CG 3.81Å; F146-P150 WeakPolarHBondContact O-CD 3.43Å; F146-P150 WeakPolarHBondContact O-CG 3.49Å |
| 147 | G | 84 | Confident | 88.8 | Confident | 6 Ų | 6 | 44.3 Ų | 44.3 | 6% | 0.062 | 23% | 0.232 | C | C | . | . | trans | 73.7 | -179.2 | -175 | 0 | 0 | 0 | 0 | 0 | 113.3 | M143 | M143-G147 WeakPolarHBondContact O-CA 3.26Å; M143-G147 PolarHBondContact O-N 3.38Å | ||
| 148 | P | 88.1 | Confident | 89.3 | Confident | 1 Ų | 1 | 43.7 Ų | 43.7 | 1% | 0.006 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -76.1 | -34.5 | -172.7 | 27.9 | -35.9 | 0 | 0 | 0 | 114.9 | I151 R152 T197 I200 F267 | P148-I151 PolarHBondContact O-N 3.4Å; P148-R152 WeakPolarHBondContact O-CB 3.48Å; P148-R152 PolarHBondContact O-N 3.12Å; P148-T197 HydrophobicContact CB-CG2 4.04Å; P148-T197 WeakPolarHBondContact O-CG2 3.34Å; P148-I200 HydrophobicContact CB-CD1 3.48Å; P148-I200 VanDerWaalsContact CB-CD1 3.48Å; P148-I200 HydrophobicContact CG-CD1 3.62Å; P148-F267 HydrophobicContact CG-CE2 4.38Å |
| 149 | R | 91.1 | Very high | 89.7 | Confident | 25 Ų | 25 | 40.2 Ų | 40.2 | 9% | 0.094 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.4 | -52.3 | -171.3 | -179.6 | 179.8 | 172.6 | 108.9 | 0 | 114 | I151 R152 L153 F259 W262 P263 | R149-I151 VanDerWaalsContact C-N 3.35Å; R149-I151 PolarHBondContact O-N 3.24Å; R149-R152 PolarHBondContact O-N 3.31Å; R149-L153 HydrophobicContact CG-CD1 4.37Å; R149-L153 WeakPolarHBondContact O-CG 3.45Å; R149-L153 PolarHBondContact O-N 3.3Å; R149-F259 PolarHBondContact NH1-O 3.24Å; R149-F259 PolarHBondContact NH2-O 3.11Å; R149-W262 HydrophobicContact CB-CB 4.47Å; R149-W262 PolarHBondContact NH1-O 2.92Å; R149-P263 WeakPolarHBondContact CB-O 3.48Å |
| 150 | P | 92.1 | Very high | 90.2 | Very high | 28 Ų | 28 | 40.3 Ų | 40.3 | 18% | 0.182 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -65.5 | -39.4 | -178.5 | 23.6 | -31.9 | 0 | 0 | 0 | 112.1 | F34 F146 R152 L153 I154 | F34-P150 HydrophobicContact CZ-CB 4.27Å; F146-P150 HydrophobicContact CB-CG 3.81Å; F146-P150 WeakPolarHBondContact O-CD 3.43Å; F146-P150 WeakPolarHBondContact O-CG 3.49Å; P150-R152 VanDerWaalsContact C-N 3.27Å; P150-R152 PolarHBondContact O-N 3.41Å; P150-L153 PolarHBondContact O-N 3.16Å; P150-I154 VanDerWaalsContact O-CG1 3.31Å; P150-I154 WeakPolarHBondContact O-CG1 3.23Å; P150-I154 PolarHBondContact O-N 2.99Å |
| 151 | I | 92.6 | Very high | 91 | Very high | 2 Ų | 2 | 41.7 Ų | 41.7 | 1% | 0.01 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -60.2 | -44 | 177.2 | -62 | -177.4 | 0 | 0 | 0 | 110.4 | L139 L142 M143 P148 R149 I154 G155 C193 T197 | L139-I151 HydrophobicContact CD2-CG2 3.79Å; L142-I151 HydrophobicContact CB-CD1 3.9Å; L142-I151 HydrophobicContact CD2-CD1 4.12Å; L142-I151 HydrophobicContact CD2-CG1 3.85Å; L142-I151 HydrophobicContact CG-CD1 3.99Å; L142-I151 HydrophobicContact CG-CG1 4.1Å; M143-I151 HydrophobicContact CB-CD1 3.58Å; M143-I151 HydrophobicContact CG-CD1 4.25Å; M143-I151 VanDerWaalsContact N-CD1 3.28Å; P148-I151 PolarHBondContact O-N 3.4Å; R149-I151 VanDerWaalsContact C-N 3.35Å; R149-I151 PolarHBondContact O-N 3.24Å; I151-I154 PolarHBondContact O-N 3.44Å; I151-G155 PolarHBondContact O-N 2.86Å; I151-C193 HydrophobicContact CG2-CB 4.04Å; I151-T197 HydrophobicContact CB-CG2 3.95Å; I151-T197 HydrophobicContact CG2-CG2 3.78Å |
| 152 | R | 94 | Very high | 91.7 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 0% | 0.004 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -68 | -42 | -178.9 | -154 | -175.9 | -140.6 | -97.5 | -176.4 | 112.6 | E65 P148 R149 P150 G155 S156 L194 T197 S198 W262 | E65-R152 VanDerWaalsContact CD-NH2 3.3Å; E65-R152 IonicContact OE1-NH2 3.87Å; E65-R152 IonicContact OE2-CZ 2.78Å; E65-R152 IonicContact OE2-NH1 3.65Å; E65-R152 PolarHBondContact OE2-NH1 3.29Å; E65-R152 IonicContact OE2-NH2 2.72Å; E65-R152 PolarHBondContact OE2-NH2 3.49Å; P148-R152 WeakPolarHBondContact O-CB 3.48Å; P148-R152 PolarHBondContact O-N 3.12Å; R149-R152 PolarHBondContact O-N 3.31Å; P150-R152 VanDerWaalsContact C-N 3.27Å; P150-R152 PolarHBondContact O-N 3.41Å; R152-G155 PolarHBondContact O-N 3.37Å; R152-S156 PolarHBondContact O-N 3.23Å; R152-S156 PolarHBondContact O-OG 3.49Å; R152-L194 HydrophobicContact CG-CD2 3.69Å; R152-T197 HydrophobicContact CB-CG2 4.08Å; R152-T197 WeakPolarHBondContact CG-OG1 3.3Å; R152-T197 PolarHBondContact NE-OG1 2.98Å; R152-S198 PolarHBondContact NH1-OG 3.3Å; R152-W262 VanDerWaalsContact CD-CD2 3.49Å; R152-W262 VanDerWaalsContact CD-CH2 3.43Å; R152-W262 HydrophobicContact CG-CE3 4.28Å; R152-W262 HydrophobicContact CG-CZ3 4.35Å |
| 153 | L | 95.4 | Very high | 92.3 | Very high | 43 Ų | 43 | 33.3 Ų | 33.3 | 23% | 0.225 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.8 | -47.6 | 175.3 | -74.6 | 172.8 | 0 | 0 | 0 | 111.4 | R149 P150 S156 S157 I255 C258 | R149-L153 HydrophobicContact CG-CD1 4.37Å; R149-L153 WeakPolarHBondContact O-CG 3.45Å; R149-L153 PolarHBondContact O-N 3.3Å; P150-L153 PolarHBondContact O-N 3.16Å; L153-S156 WeakPolarHBondContact CA-OG 3.36Å; L153-S156 PolarHBondContact O-OG 3.09Å; L153-S157 VanDerWaalsContact O-CB 3.31Å; L153-S157 WeakPolarHBondContact O-CB 3.23Å; L153-S157 PolarHBondContact O-N 3.08Å; L153-S157 PolarHBondContact O-OG 2.76Å; L153-I255 HydrophobicContact CD2-CG2 3.99Å; L153-C258 HydrophobicContact CD2-CB 3.9Å; L153-C258 WeakPolarHBondContact CD2-SG 3.44Å; L153-C258 WeakPolarHBondContact CG-SG 3.33Å |
| 154 | I | 95.9 | Very high | 93 | Very high | 56 Ų | 56 | 33.4 Ų | 33.4 | 29% | 0.287 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -60.3 | -48.6 | 175.6 | -66.6 | 166.9 | 0 | 0 | 0 | 109.7 | P150 I151 S156 S157 C158 F189 | P150-I154 VanDerWaalsContact O-CG1 3.31Å; P150-I154 WeakPolarHBondContact O-CG1 3.23Å; P150-I154 PolarHBondContact O-N 2.99Å; I151-I154 PolarHBondContact O-N 3.44Å; I154-S156 PolarHBondContact O-N 3.34Å; I154-S157 PolarHBondContact O-N 3.28Å; I154-C158 PolarHBondContact O-N 2.99Å; I154-C158 PolarHBondContact O-SG 2.93Å; I154-C158 VanDerWaalsContact O-SG 3.36Å; I154-F189 HydrophobicContact CG2-CE1 4.08Å |
| 155 | G | 95.9 | Very high | 93.8 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -56.9 | -51.6 | 179 | 0 | 0 | 0 | 0 | 0 | 113.7 | I151 R152 S157 C158 F159 G190 C193 | I151-G155 PolarHBondContact O-N 2.86Å; R152-G155 PolarHBondContact O-N 3.37Å; G155-S157 VanDerWaalsContact C-N 3.28Å; G155-S157 PolarHBondContact O-N 2.87Å; G155-C158 PolarHBondContact O-N 3.43Å; G155-F159 PolarHBondContact O-N 3.06Å; G155-G190 WeakPolarHBondContact O-CA 3.46Å; G155-C193 VanDerWaalsContact CA-CB 3.5Å |
| 156 | S | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 21.7 Ų | 21.7 | 1% | 0.007 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -34.3 | 176.9 | 48.8 | 0 | 0 | 0 | 0 | 112.6 | R152 L153 I154 F159 A160 I255 | R152-S156 PolarHBondContact O-N 3.23Å; R152-S156 PolarHBondContact O-OG 3.49Å; L153-S156 WeakPolarHBondContact CA-OG 3.36Å; L153-S156 PolarHBondContact O-OG 3.09Å; I154-S156 PolarHBondContact O-N 3.34Å; S156-F159 PolarHBondContact O-N 3.45Å; S156-A160 WeakPolarHBondContact O-CB 3.08Å; S156-A160 PolarHBondContact O-N 3.02Å; S156-I255 WeakPolarHBondContact OG-CG1 3.06Å |
| 157 | S | 97.6 | Very high | 95.2 | Very high | 55 Ų | 55 | 16.3 Ų | 16.3 | 39% | 0.385 | 10% | 0.101 | S | C | . | . | H | α-helix | trans | -70.4 | -42 | 177.2 | -56.5 | 0 | 0 | 0 | 0 | 111.4 | L153 I154 G155 F159 A160 A161 | L153-S157 VanDerWaalsContact O-CB 3.31Å; L153-S157 WeakPolarHBondContact O-CB 3.23Å; L153-S157 PolarHBondContact O-N 3.08Å; L153-S157 PolarHBondContact O-OG 2.76Å; I154-S157 PolarHBondContact O-N 3.28Å; G155-S157 VanDerWaalsContact C-N 3.28Å; G155-S157 PolarHBondContact O-N 2.87Å; S157-F159 VanDerWaalsContact C-N 3.33Å; S157-A160 PolarHBondContact O-N 3.5Å; S157-A161 WeakPolarHBondContact O-CB 3.39Å; S157-A161 PolarHBondContact O-N 3.31Å |
| 158 | C | 97.8 | Very high | 95.8 | Very high | 21 Ų | 21 | 17.4 Ų | 17.4 | 14% | 0.142 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 172.4 | -71.3 | 0 | 0 | 0 | 0 | 111.3 | I154 G155 A161 S162 F186 F189 | I154-C158 PolarHBondContact O-N 2.99Å; I154-C158 PolarHBondContact O-SG 2.93Å; I154-C158 VanDerWaalsContact O-SG 3.36Å; G155-C158 PolarHBondContact O-N 3.43Å; C158-A161 PolarHBondContact O-N 2.98Å; C158-S162 WeakPolarHBondContact O-CB 3.27Å; C158-S162 PolarHBondContact O-N 3.11Å; C158-F186 HydrophobicContact CB-CB 4.41Å; C158-F189 HydrophobicContact CB-CD1 4.17Å |
| 159 | F | 98 | Very high | 96.1 | Very high | 1 Ų | 1 | 17.4 Ų | 17.4 | 0% | 0.004 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.8 | -43 | 177.7 | -157.9 | -77 | 0 | 0 | 0 | 112.1 | F69 V72 G155 S156 S157 A161 S162 C163 N187 W247 A251 | F69-F159 VanDerWaalsContact C-CE2 3.42Å; F69-F159 HydrophobicContact CB-CD1 4.18Å; F69-F159 HydrophobicContact CB-CE1 4.05Å; F69-F159 HydrophobicContact CB-CE2 4.4Å; F69-F159 HydrophobicContact CB-CG 4.4Å; F69-F159 HydrophobicContact CB-CZ 4.15Å; F69-F159 AromaticContact CD1-CD1 3.78Å; F69-F159 HydrophobicContact CD1-CD1 3.78Å; F69-F159 AromaticContact CD1-CE1 3.61Å; F69-F159 HydrophobicContact CD1-CE1 3.61Å; F69-F159 HydrophobicContact CD1-CZ 4.43Å; F69-F159 HydrophobicContact CG-CD1 4.47Å; F69-F159 HydrophobicContact CG-CE1 4.28Å; F69-F159 WeakPolarHBondContact O-CD2 3.29Å; F69-F159 WeakPolarHBondContact O-CE2 3.48Å; V72-F159 HydrophobicContact CG1-CZ 4.34Å; V72-F159 HydrophobicContact CG2-CE2 3.99Å; V72-F159 HydrophobicContact CG2-CZ 3.62Å; G155-F159 PolarHBondContact O-N 3.06Å; S156-F159 PolarHBondContact O-N 3.45Å; S157-F159 VanDerWaalsContact C-N 3.33Å; F159-A161 PolarHBondContact O-N 3.46Å; F159-S162 VanDerWaalsContact O-CB 3.29Å; F159-S162 WeakPolarHBondContact O-CB 3.4Å; F159-S162 PolarHBondContact O-N 3.28Å; F159-C163 PolarHBondContact O-N 2.98Å; F159-C163 VanDerWaalsContact O-N 3.15Å; F159-C163 PolarHBondContact O-SG 2.95Å; F159-N187 WeakPolarHBondContact CE2-OD1 3.27Å; F159-N187 WeakPolarHBondContact CZ-ND2 3.28Å; F159-W247 HydrophobicContact CE1-CH2 4.28Å; F159-W247 AromaticContact CE1-CZ2 3.83Å; F159-W247 HydrophobicContact CE1-CZ2 3.83Å; F159-W247 HydrophobicContact CZ-CH2 4.19Å; F159-W247 AromaticContact CZ-CZ2 3.87Å; F159-W247 HydrophobicContact CZ-CZ2 3.87Å; F159-A251 HydrophobicContact CD1-CB 4.39Å |
| 160 | A | 98 | Very high | 96.3 | Very high | 7 Ų | 7 | 16.3 Ų | 16.3 | 6% | 0.058 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -61.4 | -44.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S156 S157 S162 C163 A164 A251 I255 | S156-A160 WeakPolarHBondContact O-CB 3.08Å; S156-A160 PolarHBondContact O-N 3.02Å; S157-A160 PolarHBondContact O-N 3.5Å; A160-S162 VanDerWaalsContact C-N 3.3Å; A160-S162 PolarHBondContact O-N 3.43Å; A160-C163 PolarHBondContact O-N 2.88Å; A160-A164 PolarHBondContact O-N 2.97Å; A160-A251 HydrophobicContact CB-CB 3.71Å; A160-I255 HydrophobicContact CB-CD1 4.38Å |
| 161 | A | 98.2 | Very high | 96.3 | Very high | 36 Ų | 36 | 21.7 Ų | 21.7 | 30% | 0.298 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -60.3 | -40.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S157 C158 F159 A164 M165 F186 | S157-A161 WeakPolarHBondContact O-CB 3.39Å; S157-A161 PolarHBondContact O-N 3.31Å; C158-A161 PolarHBondContact O-N 2.98Å; F159-A161 PolarHBondContact O-N 3.46Å; A161-A164 PolarHBondContact O-N 2.85Å; A161-M165 WeakPolarHBondContact O-CB 3.43Å; A161-M165 WeakPolarHBondContact O-CG 3.49Å; A161-M165 PolarHBondContact O-N 2.65Å; A161-F186 HydrophobicContact CB-CD2 4.12Å |
| 162 | S | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.5 | -52.3 | 174.9 | 172.1 | 0 | 0 | 0 | 0 | 112.4 | C158 F159 A160 A164 M165 M166 A183 N187 | C158-S162 WeakPolarHBondContact O-CB 3.27Å; C158-S162 PolarHBondContact O-N 3.11Å; F159-S162 VanDerWaalsContact O-CB 3.29Å; F159-S162 WeakPolarHBondContact O-CB 3.4Å; F159-S162 PolarHBondContact O-N 3.28Å; A160-S162 VanDerWaalsContact C-N 3.3Å; A160-S162 PolarHBondContact O-N 3.43Å; S162-A164 VanDerWaalsContact C-N 3.33Å; S162-A164 PolarHBondContact O-N 2.93Å; S162-M165 PolarHBondContact O-N 3.33Å; S162-M166 WeakPolarHBondContact O-CG 3.39Å; S162-M166 PolarHBondContact O-N 3.03Å; S162-A183 WeakPolarHBondContact CB-O 3.3Å; S162-A183 PolarHBondContact OG-O 3.31Å; S162-N187 VanDerWaalsContact OG-CB 3.22Å; S162-N187 WeakPolarHBondContact OG-CB 3.39Å; S162-N187 PolarHBondContact OG-ND2 3.38Å; S162-N187 VanDerWaalsContact OG-ND2 3.1Å |
| 163 | C | 97.7 | Very high | 96.1 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.4 | -41.7 | 178.7 | -60.8 | 0 | 0 | 0 | 0 | 111.7 | F159 A160 M165 M166 A167 W247 T248 | F159-C163 PolarHBondContact O-N 2.98Å; F159-C163 VanDerWaalsContact O-N 3.15Å; F159-C163 PolarHBondContact O-SG 2.95Å; A160-C163 PolarHBondContact O-N 2.88Å; C163-M165 VanDerWaalsContact C-N 3.34Å; C163-M165 PolarHBondContact O-N 2.74Å; C163-M166 PolarHBondContact O-N 3.32Å; C163-A167 PolarHBondContact O-N 2.9Å; C163-W247 HydrophobicContact CB-CE3 4.38Å; C163-T248 VanDerWaalsContact C-OG1 3.3Å; C163-T248 WeakPolarHBondContact CB-OG1 3.38Å |
| 164 | A | 97.9 | Very high | 95.7 | Very high | 22 Ų | 22 | 29.1 Ų | 29.1 | 18% | 0.182 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64 | -39.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | A160 A161 S162 A167 A168 W245 T248 | A160-A164 PolarHBondContact O-N 2.97Å; A161-A164 PolarHBondContact O-N 2.85Å; S162-A164 VanDerWaalsContact C-N 3.33Å; S162-A164 PolarHBondContact O-N 2.93Å; A164-A167 WeakPolarHBondContact O-CB 3.18Å; A164-A167 PolarHBondContact O-N 3.28Å; A164-A168 WeakPolarHBondContact O-CB 3.28Å; A164-A168 PolarHBondContact O-N 3.02Å; A164-W245 HydrophobicContact CB-CH2 4.23Å; A164-W245 HydrophobicContact CB-CZ3 3.95Å; A164-T248 HydrophobicContact CB-CG2 3.98Å; A164-T248 PolarHBondContact N-OG1 2.69Å |
| 165 | M | 97.4 | Very high | 95.4 | Very high | 37 Ų | 37 | 31.6 Ų | 31.6 | 18% | 0.182 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -67.5 | -39.6 | 177.1 | -70.7 | 168.8 | 83 | 0 | 0 | 111.8 | A161 S162 C163 A167 A168 A169 L179 F182 A183 F186 | A161-M165 WeakPolarHBondContact O-CB 3.43Å; A161-M165 WeakPolarHBondContact O-CG 3.49Å; A161-M165 PolarHBondContact O-N 2.65Å; S162-M165 PolarHBondContact O-N 3.33Å; C163-M165 VanDerWaalsContact C-N 3.34Å; C163-M165 PolarHBondContact O-N 2.74Å; M165-A167 VanDerWaalsContact C-N 3.34Å; M165-A168 PolarHBondContact O-N 3.05Å; M165-A169 VanDerWaalsContact O-CB 3.3Å; M165-A169 WeakPolarHBondContact O-CB 3.31Å; M165-A169 PolarHBondContact O-N 3.37Å; M165-L179 HydrophobicContact CB-CD2 4.03Å; M165-L179 HydrophobicContact CB-CG 4.12Å; M165-L179 HydrophobicContact CE-CD1 3.37Å; M165-L179 HydrophobicContact CE-CG 3.83Å; M165-L179 HydrophobicContact CG-CD2 4.34Å; M165-L179 HydrophobicContact CG-CG 4.45Å; M165-F182 HydrophobicContact CE-CB 3.35Å; M165-F182 HydrophobicContact CE-CG 4.33Å; M165-A183 HydrophobicContact CB-CB 3.81Å; M165-F186 HydrophobicContact SD-CD2 3.88Å; M165-F186 HydrophobicContact SD-CE2 4.17Å |
| 166 | M | 96.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -62.5 | -42.2 | 172.4 | -66.5 | 176.7 | -172.3 | 0 | 0 | 111.3 | S162 C163 A169 A170 I180 A183 V184 N187 M244 | S162-M166 WeakPolarHBondContact O-CG 3.39Å; S162-M166 PolarHBondContact O-N 3.03Å; C163-M166 PolarHBondContact O-N 3.32Å; M166-A169 PolarHBondContact O-N 3.19Å; M166-A170 PolarHBondContact O-N 3.02Å; M166-I180 HydrophobicContact CG-CD1 3.96Å; M166-A183 HydrophobicContact CE-CB 4.15Å; M166-A183 HydrophobicContact CG-CB 3.75Å; M166-V184 HydrophobicContact CE-CG1 4.05Å; M166-N187 HydrophobicContact CE-CB 4.42Å; M166-M244 HydrophobicContact CB-CG 4.27Å; M166-M244 HydrophobicContact CB-SD 4.26Å; M166-M244 HydrophobicContact SD-SD 4.26Å |
| 167 | A | 96.4 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.1 | -44.8 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | C163 A164 M165 A170 Y171 M244 W245 | C163-A167 PolarHBondContact O-N 2.9Å; A164-A167 WeakPolarHBondContact O-CB 3.18Å; A164-A167 PolarHBondContact O-N 3.28Å; M165-A167 VanDerWaalsContact C-N 3.34Å; A167-A170 PolarHBondContact O-N 3.07Å; A167-Y171 VanDerWaalsContact O-CD2 3.25Å; A167-Y171 WeakPolarHBondContact O-CD2 3.36Å; A167-M244 HydrophobicContact CB-CB 3.62Å; A167-W245 HydrophobicContact CB-CD2 4.07Å; A167-W245 HydrophobicContact CB-CG 4.05Å; A167-W245 HydrophobicContact CB-CZ2 4.49Å |
| 168 | A | 95.8 | Very high | 95 | Very high | 30 Ų | 30 | 36 Ų | 36 | 25% | 0.248 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -61.7 | -46 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | A164 M165 A170 Y171 L176 L179 | A164-A168 WeakPolarHBondContact O-CB 3.28Å; A164-A168 PolarHBondContact O-N 3.02Å; M165-A168 PolarHBondContact O-N 3.05Å; A168-A170 PolarHBondContact O-N 3.11Å; A168-Y171 WeakPolarHBondContact O-CD2 3.42Å; A168-Y171 PolarHBondContact O-N 3.16Å; A168-Y171 VanDerWaalsContact O-N 3.08Å; A168-L176 HydrophobicContact CB-CD2 4.44Å; A168-L176 VanDerWaalsContact O-CD2 3.25Å; A168-L176 WeakPolarHBondContact O-CD2 3.5Å; A168-L179 HydrophobicContact CB-CD2 4.29Å |
| 169 | A | 95.6 | Very high | 94.9 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.3 | -31.7 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | F88 M165 M166 Y171 D172 L176 L179 | F88-A169 HydrophobicContact CE1-CB 3.51Å; F88-A169 HydrophobicContact CZ-CB 3.7Å; M165-A169 VanDerWaalsContact O-CB 3.3Å; M165-A169 WeakPolarHBondContact O-CB 3.31Å; M165-A169 PolarHBondContact O-N 3.37Å; M166-A169 PolarHBondContact O-N 3.19Å; A169-Y171 VanDerWaalsContact C-N 3.27Å; A169-Y171 PolarHBondContact O-N 2.99Å; A169-D172 CarbonylContact O-C 3.52Å; A169-L176 HydrophobicContact CB-CG 4.27Å; A169-L179 HydrophobicContact CB-CB 4.22Å; A169-L179 HydrophobicContact CB-CD2 4.4Å |
| 170 | A | 94.3 | Very high | 94.8 | Very high | 2 Ų | 2 | 36.9 Ų | 36.9 | 2% | 0.017 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.3 | 0.9 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.7 | F88 M166 A167 A168 F240 R241 | F88-A170 HydrophobicContact CE2-CB 4.03Å; F88-A170 HydrophobicContact CZ-CB 4.12Å; M166-A170 PolarHBondContact O-N 3.02Å; A167-A170 PolarHBondContact O-N 3.07Å; A168-A170 PolarHBondContact O-N 3.11Å; A170-F240 HydrophobicContact CB-CD1 3.71Å; A170-F240 HydrophobicContact CB-CE1 4.06Å; A170-R241 HydrophobicContact CB-CG 3.77Å; A170-R241 PolarHBondContact O-NH1 3.41Å |
| 171 | Y | 93.8 | Very high | 94.7 | Very high | 142 Ų | 142 | 38.1 Ų | 38.1 | 56% | 0.557 | 21% | 0.207 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.6 | -38.7 | 170.3 | -77.8 | -87.2 | 0 | 0 | 0 | 112.4 | A167 A168 A169 W245 | A167-Y171 VanDerWaalsContact O-CD2 3.25Å; A167-Y171 WeakPolarHBondContact O-CD2 3.36Å; A168-Y171 WeakPolarHBondContact O-CD2 3.42Å; A168-Y171 PolarHBondContact O-N 3.16Å; A168-Y171 VanDerWaalsContact O-N 3.08Å; A169-Y171 VanDerWaalsContact C-N 3.27Å; A169-Y171 PolarHBondContact O-N 2.99Å; Y171-W245 AromaticContact CE2-NE1 3.86Å; Y171-W245 PolarHBondContact OH-NE1 3.37Å |
| 172 | D | 91.6 | Very high | 94.7 | Very high | 78 Ų | 78 | 42.1 Ų | 42.1 | 42% | 0.417 | 22% | 0.218 | S | C | . | . | S | Bend | trans | -141.7 | 79.2 | 178.8 | -175.3 | 6.1 | 0 | 0 | 0 | 109.7 | A169 E174 V175 L176 | A169-D172 CarbonylContact O-C 3.52Å; D172-E174 VanDerWaalsContact C-N 3.27Å; D172-E174 PolarHBondContact O-N 3.01Å; D172-V175 PolarHBondContact O-N 3.06Å; D172-L176 WeakPolarHBondContact O-CB 3.48Å; D172-L176 PolarHBondContact O-N 3.19Å |
| 173 | P | 90.1 | Very high | 94.7 | Very high | 13 Ų | 13 | 42.1 Ų | 42.1 | 8% | 0.084 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.3 | -26.2 | -172.2 | 26.3 | -34.4 | 0 | 0 | 0 | 112.8 | V175 S177 | P173-V175 PolarHBondContact O-N 3.38Å; P173-S177 WeakPolarHBondContact O-CB 3.48Å; P173-S177 PolarHBondContact O-N 3.44Å; P173-S177 VanDerWaalsContact O-N 3.16Å; P173-S177 PolarHBondContact O-OG 3.27Å |
| 174 | E | 86.4 | Confident | 94.6 | Very high | 110 Ų | 110 | 42.1 Ų | 42.1 | 51% | 0.514 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -62.7 | -43.6 | -179.1 | -68.9 | -174 | 179 | 0 | 0 | 111.8 | D172 | D172-E174 VanDerWaalsContact C-N 3.27Å; D172-E174 PolarHBondContact O-N 3.01Å |
| 175 | V | 90.7 | Very high | 94.6 | Very high | 109 Ų | 109 | 41.8 Ų | 41.8 | 66% | 0.661 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -93.1 | -38.7 | -178.6 | -175.5 | 0 | 0 | 0 | 0 | 111.6 | D172 P173 | D172-V175 PolarHBondContact O-N 3.06Å; P173-V175 PolarHBondContact O-N 3.38Å |
| 176 | L | 94 | Very high | 94.7 | Very high | 65 Ų | 65 | 44 Ų | 44 | 34% | 0.34 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -95.3 | -1.4 | -167.4 | -156.7 | 56.9 | 0 | 0 | 0 | 113.9 | A168 A169 D172 V178 L179 | A168-L176 HydrophobicContact CB-CD2 4.44Å; A168-L176 VanDerWaalsContact O-CD2 3.25Å; A168-L176 WeakPolarHBondContact O-CD2 3.5Å; A169-L176 HydrophobicContact CB-CG 4.27Å; D172-L176 WeakPolarHBondContact O-CB 3.48Å; D172-L176 PolarHBondContact O-N 3.19Å; L176-V178 PolarHBondContact O-N 3.23Å; L176-V178 VanDerWaalsContact O-N 3.09Å; L176-L179 HydrophobicContact CD1-CB 4.11Å; L176-L179 HydrophobicContact CD1-CD2 4.03Å; L176-L179 HydrophobicContact CD2-CD2 4.23Å; L176-L179 HydrophobicContact CG-CB 4.09Å; L176-L179 HydrophobicContact CG-CD2 3.99Å; L176-L179 WeakPolarHBondContact O-CB 3.49Å; L176-L179 PolarHBondContact O-N 3.2Å |
| 177 | S | 93.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 22% | 0.223 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -51.9 | -34.1 | 176.1 | -79.9 | 0 | 0 | 0 | 0 | 113.2 | F88 Y89 P173 L179 I180 | F88-S177 WeakPolarHBondContact CA-OG 3.39Å; Y89-S177 PolarHBondContact N-OG 3.18Å; Y89-S177 PolarHBondContact OH-O 3.29Å; P173-S177 WeakPolarHBondContact O-CB 3.48Å; P173-S177 PolarHBondContact O-N 3.44Å; P173-S177 VanDerWaalsContact O-N 3.16Å; P173-S177 PolarHBondContact O-OG 3.27Å; S177-L179 PolarHBondContact O-N 3.49Å; S177-L179 VanDerWaalsContact O-N 3.1Å; S177-I180 VanDerWaalsContact O-CB 3.26Å; S177-I180 WeakPolarHBondContact O-CB 3.35Å; S177-I180 WeakPolarHBondContact O-CG2 3.4Å; S177-I180 PolarHBondContact O-N 3.46Å |
| 178 | V | 93.9 | Very high | 94.7 | Very high | 83 Ų | 83 | 44 Ų | 44 | 50% | 0.503 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57.4 | -27.4 | 177.2 | 179.2 | 0 | 0 | 0 | 0 | 112.7 | Y89 L176 I180 F181 | Y89-V178 WeakPolarHBondContact OH-CA 3.18Å; L176-V178 PolarHBondContact O-N 3.23Å; L176-V178 VanDerWaalsContact O-N 3.09Å; V178-I180 PolarHBondContact O-N 3.24Å; V178-I180 VanDerWaalsContact O-N 3.15Å; V178-F181 PolarHBondContact O-N 3.17Å |
| 179 | L | 95.4 | Very high | 94.8 | Very high | 39 Ų | 39 | 45.2 Ų | 45.2 | 20% | 0.204 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -62 | -22.1 | 177.2 | -162.3 | 64.5 | 0 | 0 | 0 | 112.4 | M165 A168 A169 L176 S177 F181 F182 A183 | M165-L179 HydrophobicContact CB-CD2 4.03Å; M165-L179 HydrophobicContact CB-CG 4.12Å; M165-L179 HydrophobicContact CE-CD1 3.37Å; M165-L179 HydrophobicContact CE-CG 3.83Å; M165-L179 HydrophobicContact CG-CD2 4.34Å; M165-L179 HydrophobicContact CG-CG 4.45Å; A168-L179 HydrophobicContact CB-CD2 4.29Å; A169-L179 HydrophobicContact CB-CB 4.22Å; A169-L179 HydrophobicContact CB-CD2 4.4Å; L176-L179 HydrophobicContact CD1-CB 4.11Å; L176-L179 HydrophobicContact CD1-CD2 4.03Å; L176-L179 HydrophobicContact CD2-CD2 4.23Å; L176-L179 HydrophobicContact CG-CB 4.09Å; L176-L179 HydrophobicContact CG-CD2 3.99Å; L176-L179 WeakPolarHBondContact O-CB 3.49Å; L176-L179 PolarHBondContact O-N 3.2Å; S177-L179 PolarHBondContact O-N 3.49Å; S177-L179 VanDerWaalsContact O-N 3.1Å; L179-F181 PolarHBondContact O-N 3.07Å; L179-F182 HydrophobicContact CD1-CD2 4.36Å; L179-F182 PolarHBondContact O-N 2.85Å; L179-A183 WeakPolarHBondContact O-CB 3.05Å; L179-A183 PolarHBondContact O-N 3.35Å |
| 180 | I | 95.8 | Very high | 94.8 | Very high | 1 Ų | 1 | 45.2 Ų | 45.2 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -35.4 | 178.9 | -158.4 | 60.2 | 0 | 0 | 0 | 111.7 | L83 F88 Y89 M166 S177 V178 F182 A183 V184 | L83-I180 HydrophobicContact CD1-CD1 4.23Å; L83-I180 HydrophobicContact CD1-CG1 4.29Å; L83-I180 HydrophobicContact CD2-CD1 4.06Å; F88-I180 HydrophobicContact CD1-CB 4.37Å; F88-I180 HydrophobicContact CE1-CB 4.37Å; F88-I180 HydrophobicContact CE1-CD1 4.15Å; Y89-I180 HydrophobicContact CE2-CG2 3.84Å; M166-I180 HydrophobicContact CG-CD1 3.96Å; S177-I180 VanDerWaalsContact O-CB 3.26Å; S177-I180 WeakPolarHBondContact O-CB 3.35Å; S177-I180 WeakPolarHBondContact O-CG2 3.4Å; S177-I180 PolarHBondContact O-N 3.46Å; V178-I180 PolarHBondContact O-N 3.24Å; V178-I180 VanDerWaalsContact O-N 3.15Å; I180-F182 PolarHBondContact O-N 2.95Å; I180-A183 HydrophobicContact CD1-CB 4.47Å; I180-A183 PolarHBondContact O-N 3.03Å; I180-V184 HydrophobicContact CD1-CG1 4.36Å; I180-V184 HydrophobicContact CG1-CG1 4.2Å; I180-V184 WeakPolarHBondContact O-CG1 3.18Å; I180-V184 VanDerWaalsContact O-CG2 3.25Å; I180-V184 WeakPolarHBondContact O-CG2 3.43Å; I180-V184 PolarHBondContact O-N 3.38Å |
| 181 | F | 96.7 | Very high | 94.9 | Very high | 33 Ų | 33 | 45.1 Ų | 45.1 | 15% | 0.145 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.9 | -43.4 | 178.7 | -73.5 | -64.2 | 0 | 0 | 0 | 112.1 | Y89 M120 L123 I127 V178 L179 V184 S185 | Y89-F181 WeakPolarHBondContact OH-CD2 3.38Å; Y89-F181 WeakPolarHBondContact OH-CE2 3.38Å; M120-F181 HydrophobicContact CE-CE2 3.79Å; M120-F181 HydrophobicContact CE-CZ 3.61Å; L123-F181 HydrophobicContact CB-CE1 4.15Å; L123-F181 HydrophobicContact CD2-CE1 4.03Å; L123-F181 HydrophobicContact CD2-CZ 4.05Å; L123-F181 HydrophobicContact CG-CE1 3.88Å; L123-F181 HydrophobicContact CG-CZ 4.36Å; I127-F181 HydrophobicContact CD1-CD1 3.75Å; I127-F181 HydrophobicContact CD1-CE1 4.02Å; V178-F181 PolarHBondContact O-N 3.17Å; L179-F181 PolarHBondContact O-N 3.07Å; F181-V184 WeakPolarHBondContact O-CG2 3.26Å; F181-S185 VanDerWaalsContact O-CB 3.3Å; F181-S185 WeakPolarHBondContact O-CB 3.26Å; F181-S185 PolarHBondContact O-N 3.45Å; F181-S185 VanDerWaalsContact O-N 3.1Å; F181-S185 PolarHBondContact O-OG 3.25Å |
| 182 | F | 97.4 | Very high | 94.9 | Very high | 120 Ų | 120 | 38.9 Ų | 38.9 | 53% | 0.526 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -70 | -40.3 | 175 | -63.2 | -74.2 | 0 | 0 | 0 | 111.1 | M165 L179 I180 S185 F186 | M165-F182 HydrophobicContact CE-CB 3.35Å; M165-F182 HydrophobicContact CE-CG 4.33Å; L179-F182 HydrophobicContact CD1-CD2 4.36Å; L179-F182 PolarHBondContact O-N 2.85Å; I180-F182 PolarHBondContact O-N 2.95Å; F182-S185 PolarHBondContact O-N 3.02Å; F182-F186 WeakPolarHBondContact O-CB 3.46Å; F182-F186 PolarHBondContact O-N 3.31Å |
| 183 | A | 97.7 | Very high | 95 | Very high | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -60.6 | -50.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | S162 M165 M166 L179 I180 S185 F186 N187 | S162-A183 WeakPolarHBondContact CB-O 3.3Å; S162-A183 PolarHBondContact OG-O 3.31Å; M165-A183 HydrophobicContact CB-CB 3.81Å; M166-A183 HydrophobicContact CE-CB 4.15Å; M166-A183 HydrophobicContact CG-CB 3.75Å; L179-A183 WeakPolarHBondContact O-CB 3.05Å; L179-A183 PolarHBondContact O-N 3.35Å; I180-A183 HydrophobicContact CD1-CB 4.47Å; I180-A183 PolarHBondContact O-N 3.03Å; A183-S185 PolarHBondContact O-N 2.93Å; A183-F186 PolarHBondContact O-N 3.4Å; A183-N187 WeakPolarHBondContact O-CB 3.29Å; A183-N187 PolarHBondContact O-N 3.47Å |
| 184 | V | 97.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 34.6 Ų | 34.6 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -68.6 | -32.7 | 178.2 | -60.6 | 0 | 0 | 0 | 0 | 112.3 | L73 W76 G124 G128 M166 I180 F181 N187 G188 | L73-V184 HydrophobicContact CD2-CB 4.19Å; L73-V184 HydrophobicContact CD2-CG1 4.11Å; W76-V184 HydrophobicContact CZ3-CG1 4.45Å; G124-V184 WeakPolarHBondContact O-CG2 3.33Å; G128-V184 WeakPolarHBondContact CA-O 3.28Å; M166-V184 HydrophobicContact CE-CG1 4.05Å; I180-V184 HydrophobicContact CD1-CG1 4.36Å; I180-V184 HydrophobicContact CG1-CG1 4.2Å; I180-V184 WeakPolarHBondContact O-CG1 3.18Å; I180-V184 VanDerWaalsContact O-CG2 3.25Å; I180-V184 WeakPolarHBondContact O-CG2 3.43Å; I180-V184 PolarHBondContact O-N 3.38Å; F181-V184 WeakPolarHBondContact O-CG2 3.26Å; V184-N187 WeakPolarHBondContact O-CB 3.27Å; V184-N187 PolarHBondContact O-N 2.95Å; V184-G188 PolarHBondContact O-N 2.97Å |
| 185 | S | 97.8 | Very high | 95.4 | Very high | 16 Ų | 16 | 29.6 Ų | 29.6 | 11% | 0.112 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -62.8 | -47.2 | 173.5 | -61.5 | 0 | 0 | 0 | 0 | 111.7 | I127 F181 F182 A183 N187 G188 F189 | I127-S185 VanDerWaalsContact CG2-OG 3.28Å; I127-S185 WeakPolarHBondContact CG2-OG 3.35Å; F181-S185 VanDerWaalsContact O-CB 3.3Å; F181-S185 WeakPolarHBondContact O-CB 3.26Å; F181-S185 PolarHBondContact O-N 3.45Å; F181-S185 VanDerWaalsContact O-N 3.1Å; F181-S185 PolarHBondContact O-OG 3.25Å; F182-S185 PolarHBondContact O-N 3.02Å; A183-S185 PolarHBondContact O-N 2.93Å; S185-N187 VanDerWaalsContact C-N 3.31Å; S185-N187 PolarHBondContact O-N 3.42Å; S185-G188 PolarHBondContact O-N 3.21Å; S185-F189 WeakPolarHBondContact O-CB 3.25Å; S185-F189 PolarHBondContact O-N 3.26Å |
| 186 | F | 98.1 | Very high | 95.3 | Very high | 82 Ų | 82 | 25.5 Ų | 25.5 | 36% | 0.36 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -67.6 | -31.7 | 175.9 | -78.3 | 5.6 | 0 | 0 | 0 | 112.4 | C158 A161 M165 F182 A183 G190 | C158-F186 HydrophobicContact CB-CB 4.41Å; A161-F186 HydrophobicContact CB-CD2 4.12Å; M165-F186 HydrophobicContact SD-CD2 3.88Å; M165-F186 HydrophobicContact SD-CE2 4.17Å; F182-F186 WeakPolarHBondContact O-CB 3.46Å; F182-F186 PolarHBondContact O-N 3.31Å; A183-F186 PolarHBondContact O-N 3.4Å; F186-G190 WeakPolarHBondContact O-CA 3.42Å; F186-G190 PolarHBondContact O-N 3.02Å |
| 187 | N | 97.5 | Very high | 95.1 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -62.3 | -53.5 | 173.3 | -154.3 | -90.8 | 0 | 0 | 0 | 110.7 | V72 L73 F159 S162 M166 A183 V184 S185 G190 G191 | V72-N187 WeakPolarHBondContact CG2-OD1 3.49Å; L73-N187 HydrophobicContact CD1-CB 4.2Å; L73-N187 HydrophobicContact CD2-CB 4.34Å; L73-N187 HydrophobicContact CG-CB 4.22Å; F159-N187 WeakPolarHBondContact CE2-OD1 3.27Å; F159-N187 WeakPolarHBondContact CZ-ND2 3.28Å; S162-N187 VanDerWaalsContact OG-CB 3.22Å; S162-N187 WeakPolarHBondContact OG-CB 3.39Å; S162-N187 PolarHBondContact OG-ND2 3.38Å; S162-N187 VanDerWaalsContact OG-ND2 3.1Å; M166-N187 HydrophobicContact CE-CB 4.42Å; A183-N187 WeakPolarHBondContact O-CB 3.29Å; A183-N187 PolarHBondContact O-N 3.47Å; V184-N187 WeakPolarHBondContact O-CB 3.27Å; V184-N187 PolarHBondContact O-N 2.95Å; S185-N187 VanDerWaalsContact C-N 3.31Å; S185-N187 PolarHBondContact O-N 3.42Å; N187-G190 PolarHBondContact O-N 3.43Å; N187-G191 PolarHBondContact O-N 3.2Å |
| 188 | G | 96.4 | Very high | 95 | Very high | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.8 | -50 | 179 | 0 | 0 | 0 | 0 | 0 | 112.1 | L132 V184 S185 G191 I192 | L132-G188 WeakPolarHBondContact CA-O 3.49Å; L132-G188 WeakPolarHBondContact CD1-O 3.28Å; V184-G188 PolarHBondContact O-N 2.97Å; S185-G188 PolarHBondContact O-N 3.21Å; G188-G191 PolarHBondContact O-N 3.23Å; G188-I192 WeakPolarHBondContact O-CG2 3.15Å; G188-I192 PolarHBondContact O-N 3.21Å; G188-I192 VanDerWaalsContact O-N 3.09Å |
| 189 | F | 96.8 | Very high | 94.6 | Very high | 57 Ų | 57 | 20.9 Ų | 20.9 | 25% | 0.25 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.3 | -46.1 | 178.5 | 179.2 | -102.2 | 0 | 0 | 0 | 112.8 | F131 A135 L139 I154 C158 S185 G191 I192 C193 | F131-F189 HydrophobicContact CB-CB 4.46Å; A135-F189 HydrophobicContact CB-CD2 3.73Å; A135-F189 HydrophobicContact CB-CE2 3.99Å; L139-F189 HydrophobicContact CD2-CE2 4.36Å; L139-F189 HydrophobicContact CD2-CZ 4.43Å; I154-F189 HydrophobicContact CG2-CE1 4.08Å; C158-F189 HydrophobicContact CB-CD1 4.17Å; S185-F189 WeakPolarHBondContact O-CB 3.25Å; S185-F189 PolarHBondContact O-N 3.26Å; F189-G191 VanDerWaalsContact C-N 3.32Å; F189-G191 PolarHBondContact O-N 2.92Å; F189-I192 VanDerWaalsContact O-CG2 3.26Å; F189-I192 WeakPolarHBondContact O-CG2 3.35Å; F189-C193 PolarHBondContact O-N 2.97Å; F189-C193 PolarHBondContact O-SG 3.34Å |
| 190 | G | 96.7 | Very high | 94.1 | Very high | 0 Ų | 0 | 20.3 Ų | 20.3 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -62.1 | -42.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | G155 F186 N187 C193 L194 | G155-G190 WeakPolarHBondContact O-CA 3.46Å; F186-G190 WeakPolarHBondContact O-CA 3.42Å; F186-G190 PolarHBondContact O-N 3.02Å; N187-G190 PolarHBondContact O-N 3.43Å; G190-C193 WeakPolarHBondContact O-CB 3.4Å; G190-C193 PolarHBondContact O-N 3.12Å; G190-L194 WeakPolarHBondContact O-CG 3.38Å; G190-L194 PolarHBondContact O-N 2.9Å; G190-L194 VanDerWaalsContact O-N 3.11Å |
| 191 | G | 95.6 | Very high | 93.7 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -66.4 | -41.1 | -178.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | F69 S70 N187 G188 F189 L194 T195 | F69-G191 WeakPolarHBondContact O-CA 3.22Å; S70-G191 VanDerWaalsContact O-CA 3.25Å; S70-G191 WeakPolarHBondContact O-CA 3.4Å; N187-G191 PolarHBondContact O-N 3.2Å; G188-G191 PolarHBondContact O-N 3.23Å; F189-G191 VanDerWaalsContact C-N 3.32Å; F189-G191 PolarHBondContact O-N 2.92Å; G191-L194 PolarHBondContact O-N 3.48Å; G191-T195 PolarHBondContact O-N 3.39Å; G191-T195 PolarHBondContact O-OG1 3.23Å |
| 192 | I | 93.9 | Very high | 93.2 | Very high | 10 Ų | 10 | 18.7 Ų | 18.7 | 5% | 0.051 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70.5 | -33.6 | 175.9 | -168.6 | 61.4 | 0 | 0 | 0 | 112.1 | L132 A135 T136 L139 G188 F189 L194 T195 F196 | L132-I192 HydrophobicContact CD1-CB 4.19Å; L132-I192 VanDerWaalsContact O-CB 3.23Å; L132-I192 WeakPolarHBondContact O-CB 3.33Å; L132-I192 WeakPolarHBondContact O-CD1 3.35Å; L132-I192 WeakPolarHBondContact O-CG1 3.48Å; A135-I192 HydrophobicContact CB-CG2 3.94Å; T136-I192 HydrophobicContact CG2-CD1 3.74Å; T136-I192 HydrophobicContact CG2-CG1 3.66Å; L139-I192 HydrophobicContact CD1-CG1 4.47Å; L139-I192 HydrophobicContact CD1-CG2 3.84Å; G188-I192 WeakPolarHBondContact O-CG2 3.15Å; G188-I192 PolarHBondContact O-N 3.21Å; G188-I192 VanDerWaalsContact O-N 3.09Å; F189-I192 VanDerWaalsContact O-CG2 3.26Å; F189-I192 WeakPolarHBondContact O-CG2 3.35Å; I192-L194 PolarHBondContact O-N 2.93Å; I192-T195 PolarHBondContact O-N 2.93Å; I192-F196 VanDerWaalsContact O-CB 3.25Å; I192-F196 WeakPolarHBondContact O-CB 3.24Å; I192-F196 PolarHBondContact O-N 3.48Å |
| 193 | C | 94.3 | Very high | 92.6 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.075 | C | C | . | . | H | α-helix | trans | -60.7 | -44.4 | 172.8 | -70.2 | 0 | 0 | 0 | 0 | 111.9 | L139 I151 G155 F189 G190 T197 | L139-C193 VanDerWaalsContact CD2-SG 3.56Å; I151-C193 HydrophobicContact CG2-CB 4.04Å; G155-C193 VanDerWaalsContact CA-CB 3.5Å; F189-C193 PolarHBondContact O-N 2.97Å; F189-C193 PolarHBondContact O-SG 3.34Å; G190-C193 WeakPolarHBondContact O-CB 3.4Å; G190-C193 PolarHBondContact O-N 3.12Å; C193-T197 WeakPolarHBondContact O-CB 3.33Å; C193-T197 VanDerWaalsContact O-CG2 3.28Å; C193-T197 WeakPolarHBondContact O-CG2 3.11Å; C193-T197 PolarHBondContact O-N 2.83Å; C193-T197 PolarHBondContact O-OG1 3.45Å |
| 194 | L | 93.8 | Very high | 92 | Very high | 1 Ų | 1 | 15.5 Ų | 15.5 | 1% | 0.005 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -62.8 | -46.2 | 176.2 | -71.2 | 168.6 | 0 | 0 | 0 | 111.4 | F69 R152 G190 G191 I192 T197 S198 V254 | F69-L194 HydrophobicContact CB-CD1 3.77Å; F69-L194 WeakPolarHBondContact O-CD1 3.48Å; R152-L194 HydrophobicContact CG-CD2 3.69Å; G190-L194 WeakPolarHBondContact O-CG 3.38Å; G190-L194 PolarHBondContact O-N 2.9Å; G190-L194 VanDerWaalsContact O-N 3.11Å; G191-L194 PolarHBondContact O-N 3.48Å; I192-L194 PolarHBondContact O-N 2.93Å; L194-T197 PolarHBondContact O-OG1 3.46Å; L194-S198 WeakPolarHBondContact O-CB 3.29Å; L194-S198 PolarHBondContact O-N 2.99Å; L194-S198 PolarHBondContact O-OG 3.04Å; L194-V254 HydrophobicContact CD2-CG1 3.85Å |
| 195 | T | 91.4 | Very high | 91.3 | Very high | 6 Ų | 6 | 15.9 Ų | 15.9 | 4% | 0.037 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.4 | -52.5 | 178.8 | -54.3 | 0 | 0 | 0 | 0 | 111.7 | S70 G191 I192 T197 S198 L199 Y220 | S70-T195 WeakPolarHBondContact CB-OG1 3.13Å; G191-T195 PolarHBondContact O-N 3.39Å; G191-T195 PolarHBondContact O-OG1 3.23Å; I192-T195 PolarHBondContact O-N 2.93Å; T195-T197 VanDerWaalsContact C-N 3.31Å; T195-T197 PolarHBondContact O-N 3.42Å; T195-S198 WeakPolarHBondContact O-CA 3.34Å; T195-S198 WeakPolarHBondContact O-CB 3.2Å; T195-S198 PolarHBondContact O-N 3.32Å; T195-L199 HydrophobicContact CG2-CD1 4.49Å; T195-L199 WeakPolarHBondContact O-CG 3.15Å; T195-L199 PolarHBondContact O-N 3.15Å; T195-Y220 HydrophobicContact CG2-CD1 4.46Å; T195-Y220 HydrophobicContact CG2-CD2 3.47Å; T195-Y220 VanDerWaalsContact CG2-CD2 3.47Å; T195-Y220 HydrophobicContact CG2-CE2 4.05Å; T195-Y220 HydrophobicContact CG2-CG 3.7Å; T195-Y220 WeakPolarHBondContact OG1-CD2 3.38Å |
| 196 | F | 86.9 | Confident | 90.5 | Very high | 22 Ų | 22 | 17.8 Ų | 17.8 | 10% | 0.096 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -65.7 | -38 | -171.4 | -161.6 | -108.3 | 0 | 0 | 0 | 111.6 | L139 M143 I192 L199 | L139-F196 HydrophobicContact CB-CD1 4.35Å; M143-F196 HydrophobicContact CB-CE1 4.23Å; M143-F196 HydrophobicContact CE-CD1 3.85Å; M143-F196 HydrophobicContact CE-CE1 3.23Å; M143-F196 HydrophobicContact CE-CZ 3.86Å; M143-F196 HydrophobicContact SD-CD1 3.53Å; M143-F196 VanDerWaalsContact SD-CD1 3.53Å; M143-F196 HydrophobicContact SD-CE1 3.56Å; M143-F196 VanDerWaalsContact SD-CE1 3.56Å; I192-F196 VanDerWaalsContact O-CB 3.25Å; I192-F196 WeakPolarHBondContact O-CB 3.24Å; I192-F196 PolarHBondContact O-N 3.48Å; F196-L199 HydrophobicContact CD2-CD1 4.47Å; F196-L199 PolarHBondContact O-N 3.08Å |
| 197 | T | 90.7 | Very high | 89.3 | Confident | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -70.3 | -28.8 | 172.8 | 58 | 0 | 0 | 0 | 0 | 113 | P148 I151 R152 C193 L194 T195 I200 | P148-T197 HydrophobicContact CB-CG2 4.04Å; P148-T197 WeakPolarHBondContact O-CG2 3.34Å; I151-T197 HydrophobicContact CB-CG2 3.95Å; I151-T197 HydrophobicContact CG2-CG2 3.78Å; R152-T197 HydrophobicContact CB-CG2 4.08Å; R152-T197 WeakPolarHBondContact CG-OG1 3.3Å; R152-T197 PolarHBondContact NE-OG1 2.98Å; C193-T197 WeakPolarHBondContact O-CB 3.33Å; C193-T197 VanDerWaalsContact O-CG2 3.28Å; C193-T197 WeakPolarHBondContact O-CG2 3.11Å; C193-T197 PolarHBondContact O-N 2.83Å; C193-T197 PolarHBondContact O-OG1 3.45Å; L194-T197 PolarHBondContact O-OG1 3.46Å; T195-T197 VanDerWaalsContact C-N 3.31Å; T195-T197 PolarHBondContact O-N 3.42Å; T197-I200 WeakPolarHBondContact O-CG1 3.44Å |
| 198 | S | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -70.5 | -29.9 | 172.1 | -62.7 | 0 | 0 | 0 | 0 | 112.8 | N66 R152 L194 T195 I200 L201 P202 | N66-S198 WeakPolarHBondContact OD1-CB 3.47Å; N66-S198 PolarHBondContact OD1-OG 3.26Å; R152-S198 PolarHBondContact NH1-OG 3.3Å; L194-S198 WeakPolarHBondContact O-CB 3.29Å; L194-S198 PolarHBondContact O-N 2.99Å; L194-S198 PolarHBondContact O-OG 3.04Å; T195-S198 WeakPolarHBondContact O-CA 3.34Å; T195-S198 WeakPolarHBondContact O-CB 3.2Å; T195-S198 PolarHBondContact O-N 3.32Å; S198-I200 VanDerWaalsContact C-N 3.25Å; S198-I200 PolarHBondContact O-N 3.49Å; S198-L201 WeakPolarHBondContact O-CB 3.36Å; S198-L201 PolarHBondContact O-N 3.44Å; S198-P202 WeakPolarHBondContact O-CD 3.5Å |
| 199 | L | 85.4 | Confident | 87.8 | Confident | 52 Ų | 52 | 29.8 Ų | 29.8 | 27% | 0.272 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.8 | -18.6 | -177.6 | -69.3 | 176.3 | 0 | 0 | 0 | 114.3 | T195 F196 P202 L213 M216 I217 | T195-L199 HydrophobicContact CG2-CD1 4.49Å; T195-L199 WeakPolarHBondContact O-CG 3.15Å; T195-L199 PolarHBondContact O-N 3.15Å; F196-L199 HydrophobicContact CD2-CD1 4.47Å; F196-L199 PolarHBondContact O-N 3.08Å; L199-P202 WeakPolarHBondContact O-CD 3.42Å; L199-L213 HydrophobicContact CB-CD1 4.42Å; L199-L213 HydrophobicContact CD2-CD1 3.77Å; L199-M216 HydrophobicContact CD2-CB 4.29Å; L199-I217 HydrophobicContact CD2-CD1 4.47Å; L199-I217 HydrophobicContact CD2-CG1 3.69Å |
| 200 | I | 84.4 | Confident | 86.8 | Confident | 26 Ų | 26 | 29.7 Ų | 29.7 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.6 | -18.1 | 176 | 60 | 161.5 | 0 | 0 | 0 | 113.2 | M143 P148 T197 S198 N203 F267 | M143-I200 HydrophobicContact CE-CG2 3.65Å; M143-I200 HydrophobicContact SD-CD1 4.25Å; M143-I200 HydrophobicContact SD-CG2 3.85Å; P148-I200 HydrophobicContact CB-CD1 3.48Å; P148-I200 VanDerWaalsContact CB-CD1 3.48Å; P148-I200 HydrophobicContact CG-CD1 3.62Å; T197-I200 WeakPolarHBondContact O-CG1 3.44Å; S198-I200 VanDerWaalsContact C-N 3.25Å; S198-I200 PolarHBondContact O-N 3.49Å; I200-N203 VanDerWaalsContact O-CB 3.3Å; I200-N203 WeakPolarHBondContact O-CB 3.38Å; I200-N203 PolarHBondContact O-N 3.35Å; I200-N203 PolarHBondContact O-ND2 3.16Å; I200-F267 HydrophobicContact CB-CD2 4.22Å; I200-F267 HydrophobicContact CD1-CD2 3.5Å; I200-F267 HydrophobicContact CD1-CE2 3.94Å; I200-F267 HydrophobicContact CG1-CD2 3.73Å; I200-F267 HydrophobicContact CG1-CE2 4.11Å |
| 201 | L | 88 | Confident | 86.2 | Confident | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 20% | 0.195 | C | C | . | . | G | 310 helix | trans | -58.4 | -38.5 | 179.4 | -173.7 | 73 | 0 | 0 | 0 | 114 | M58 A59 S198 N203 M204 M216 F267 | M58-L201 HydrophobicContact CB-CD1 3.96Å; M58-L201 HydrophobicContact CB-CD2 4.11Å; M58-L201 HydrophobicContact CE-CD1 3.86Å; M58-L201 HydrophobicContact SD-CD1 4.47Å; A59-L201 HydrophobicContact CB-CD2 4.25Å; S198-L201 WeakPolarHBondContact O-CB 3.36Å; S198-L201 PolarHBondContact O-N 3.44Å; L201-N203 PolarHBondContact O-N 2.93Å; L201-M204 HydrophobicContact CD1-SD 3.66Å; L201-M204 PolarHBondContact O-N 3.05Å; L201-M216 HydrophobicContact CD2-CE 4.03Å; L201-F267 HydrophobicContact CD1-CE2 4.15Å; L201-F267 HydrophobicContact CD1-CZ 3.89Å |
| 202 | P | 86.8 | Confident | 85.7 | Confident | 1 Ų | 1 | 34.9 Ų | 34.9 | 1% | 0.006 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -56.2 | -20.7 | 177.4 | -25.9 | 34.6 | 0 | 0 | 0 | 114.3 | S198 L199 M204 F205 R209 I212 L213 M216 | S198-P202 WeakPolarHBondContact O-CD 3.5Å; L199-P202 WeakPolarHBondContact O-CD 3.42Å; P202-M204 PolarHBondContact O-N 3.07Å; P202-F205 WeakPolarHBondContact O-CB 3.02Å; P202-F205 PolarHBondContact O-N 3.11Å; P202-R209 HydrophobicContact CB-CG 3.79Å; P202-R209 WeakPolarHBondContact O-CB 3.43Å; P202-R209 VanDerWaalsContact O-CG 3.29Å; P202-R209 WeakPolarHBondContact O-CG 3.31Å; P202-I212 HydrophobicContact CB-CB 4.26Å; P202-I212 HydrophobicContact CB-CG2 4.21Å; P202-I212 HydrophobicContact CG-CB 4.45Å; P202-I212 HydrophobicContact CG-CG2 4Å; P202-L213 HydrophobicContact CB-CB 4.05Å; P202-L213 HydrophobicContact CG-CB 3.92Å; P202-L213 HydrophobicContact CG-CD1 4.14Å; P202-M216 HydrophobicContact CG-CG 4.38Å |
| 203 | N | 84 | Confident | 85.3 | Confident | 46 Ų | 46 | 37.3 Ų | 37.3 | 25% | 0.246 | 21% | 0.211 | C | C | . | . | G | 310 helix | trans | -57.9 | -22.9 | 178.7 | -69.9 | -20.9 | 0 | 0 | 0 | 113 | I200 L201 F205 F267 | I200-N203 VanDerWaalsContact O-CB 3.3Å; I200-N203 WeakPolarHBondContact O-CB 3.38Å; I200-N203 PolarHBondContact O-N 3.35Å; I200-N203 PolarHBondContact O-ND2 3.16Å; L201-N203 PolarHBondContact O-N 2.93Å; N203-F205 PolarHBondContact O-N 3.02Å; N203-F267 HydrophobicContact CB-CB 4.39Å |
| 204 | M | 84.8 | Confident | 84.8 | Confident | 6 Ų | 6 | 38 Ų | 38 | 3% | 0.03 | 22% | 0.216 | C | C | . | . | G | 310 helix | trans | -75.1 | -6 | 177.1 | -58.1 | 172.4 | 69.6 | 0 | 0 | 114.4 | A51 Y52 R55 L201 P202 F267 | A51-M204 VanDerWaalsContact C-CE 3.48Å; A51-M204 HydrophobicContact CB-CE 4.3Å; A51-M204 WeakPolarHBondContact O-CE 3.17Å; Y52-M204 HydrophobicContact CD1-CB 4.32Å; Y52-M204 HydrophobicContact CD1-CE 4Å; Y52-M204 HydrophobicContact CD2-CE 3.9Å; Y52-M204 HydrophobicContact CE1-CB 3.81Å; Y52-M204 HydrophobicContact CE1-CE 4.37Å; Y52-M204 HydrophobicContact CE1-CG 4.13Å; Y52-M204 HydrophobicContact CE2-CE 4.28Å; Y52-M204 HydrophobicContact CE2-CG 4.31Å; Y52-M204 HydrophobicContact CG-CE 3.75Å; R55-M204 HydrophobicContact CB-CE 3.74Å; L201-M204 HydrophobicContact CD1-SD 3.66Å; L201-M204 PolarHBondContact O-N 3.05Å; P202-M204 PolarHBondContact O-N 3.07Å; M204-F267 HydrophobicContact CE-CE1 4.23Å; M204-F267 HydrophobicContact CG-CD1 3.76Å; M204-F267 HydrophobicContact CG-CE1 4Å; M204-F267 HydrophobicContact CG-CG 4.37Å; M204-F267 HydrophobicContact SD-CD1 3.71Å; M204-F267 HydrophobicContact SD-CE1 3.29Å; M204-F267 WeakPolarHBondContact SD-CE1 3.49Å; M204-F267 HydrophobicContact SD-CZ 3.85Å |
| 205 | F | 83.4 | Confident | 84.5 | Confident | 9 Ų | 9 | 41 Ų | 41 | 4% | 0.039 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -111.9 | 12.3 | -166.2 | -74.1 | -85.6 | 0 | 0 | 0 | 115.5 | R55 W56 A59 P202 N203 N207 I208 I212 | R55-F205 HydrophobicContact CB-CE1 4.36Å; R55-F205 HydrophobicContact CB-CE2 4.19Å; R55-F205 HydrophobicContact CB-CZ 3.82Å; R55-F205 HydrophobicContact CG-CE1 3.92Å; R55-F205 HydrophobicContact CG-CZ 3.87Å; R55-F205 WeakPolarHBondContact O-CZ 3.11Å; W56-F205 AromaticContact CD2-CE1 3.95Å; W56-F205 HydrophobicContact CD2-CE1 3.95Å; W56-F205 HydrophobicContact CD2-CZ 4.47Å; W56-F205 AromaticContact CE2-CE1 4Å; W56-F205 HydrophobicContact CE3-CE1 4.02Å; W56-F205 HydrophobicContact CE3-CZ 4.39Å; W56-F205 HydrophobicContact CH2-CE1 4.21Å; W56-F205 HydrophobicContact CZ2-CE1 4.14Å; W56-F205 HydrophobicContact CZ3-CE1 4.15Å; A59-F205 HydrophobicContact CB-CE2 3.96Å; A59-F205 HydrophobicContact CB-CZ 3.73Å; P202-F205 WeakPolarHBondContact O-CB 3.02Å; P202-F205 PolarHBondContact O-N 3.11Å; N203-F205 PolarHBondContact O-N 3.02Å; F205-N207 PolarHBondContact O-N 3.23Å; F205-I208 HydrophobicContact CB-CG1 3.79Å; F205-I208 HydrophobicContact CD1-CD1 3.89Å; F205-I208 HydrophobicContact CD1-CG1 4.06Å; F205-I208 HydrophobicContact CG-CG1 4.35Å; F205-I208 WeakPolarHBondContact O-CG1 3.25Å; F205-I208 PolarHBondContact O-N 3.11Å; F205-I212 HydrophobicContact CB-CD1 3.65Å; F205-I212 HydrophobicContact CD1-CD1 3.3Å; F205-I212 HydrophobicContact CD2-CD1 3.54Å; F205-I212 HydrophobicContact CE1-CD1 3.65Å; F205-I212 HydrophobicContact CE2-CD1 3.87Å; F205-I212 HydrophobicContact CG-CD1 3.21Å; F205-I212 HydrophobicContact CZ-CD1 3.9Å |
| 206 | G | 79.8 | Confident | 84.4 | Confident | 55 Ų | 55 | 40.7 Ų | 40.7 | 57% | 0.567 | 23% | 0.229 | S | C | * | . | G | 310 helix | trans | 43.8 | -111.4 | 170.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | I208 R209 | G206-I208 VanDerWaalsContact C-N 3.32Å; G206-I208 PolarHBondContact O-N 3.11Å; G206-R209 VanDerWaalsContact O-CB 3.24Å; G206-R209 WeakPolarHBondContact O-CB 3.28Å; G206-R209 PolarHBondContact O-N 3.19Å |
| 207 | N | 74.8 | Confident | 84.4 | Confident | 172 Ų | 172 | 41.5 Ų | 41.5 | 92% | 0.92 | 23% | 0.234 | S | C | * | . | G | 310 helix | trans | -63.4 | -26.3 | -176.2 | -65.3 | -7.1 | 0 | 0 | 0 | 115.2 | F205 | F205-N207 PolarHBondContact O-N 3.23Š|
| 208 | I | 79.4 | Confident | 84.3 | Confident | 72 Ų | 72 | 41.5 Ų | 41.5 | 37% | 0.369 | 23% | 0.234 | S | C | . | . | G | 310 helix | trans | -102.4 | 9.3 | 179.8 | 68.4 | 178.6 | 0 | 0 | 0 | 113 | W56 F205 G206 S210 T211 I212 | W56-I208 HydrophobicContact CH2-CD1 3.64Å; W56-I208 HydrophobicContact CZ2-CD1 4Å; F205-I208 HydrophobicContact CB-CG1 3.79Å; F205-I208 HydrophobicContact CD1-CD1 3.89Å; F205-I208 HydrophobicContact CD1-CG1 4.06Å; F205-I208 HydrophobicContact CG-CG1 4.35Å; F205-I208 WeakPolarHBondContact O-CG1 3.25Å; F205-I208 PolarHBondContact O-N 3.11Å; G206-I208 VanDerWaalsContact C-N 3.32Å; G206-I208 PolarHBondContact O-N 3.11Å; I208-S210 PolarHBondContact O-N 3.27Å; I208-T211 PolarHBondContact O-N 2.7Å; I208-I212 HydrophobicContact CD1-CD1 3.89Å; I208-I212 HydrophobicContact CG1-CD1 3.84Å; I208-I212 HydrophobicContact CG1-CG1 4.47Å; I208-I212 PolarHBondContact O-N 3.35Å; I208-I212 VanDerWaalsContact O-N 3.13Å |
| 209 | R | 81.9 | Confident | 84.4 | Confident | 90 Ų | 90 | 41.5 Ų | 41.5 | 34% | 0.34 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -53.5 | -47.3 | -180 | 176.8 | -173.7 | 73.6 | 179.7 | 0.7 | 113 | P202 G206 T211 I212 L213 | P202-R209 HydrophobicContact CB-CG 3.79Å; P202-R209 WeakPolarHBondContact O-CB 3.43Å; P202-R209 VanDerWaalsContact O-CG 3.29Å; P202-R209 WeakPolarHBondContact O-CG 3.31Å; G206-R209 VanDerWaalsContact O-CB 3.24Å; G206-R209 WeakPolarHBondContact O-CB 3.28Å; G206-R209 PolarHBondContact O-N 3.19Å; R209-T211 VanDerWaalsContact C-N 3.31Å; R209-T211 PolarHBondContact O-N 3.13Å; R209-I212 PolarHBondContact O-N 3.36Å; R209-L213 VanDerWaalsContact O-CB 3.3Å; R209-L213 WeakPolarHBondContact O-CB 3.46Å; R209-L213 PolarHBondContact O-N 2.95Å |
| 210 | S | 76.1 | Confident | 84.7 | Confident | 56 Ų | 56 | 40.2 Ų | 40.2 | 39% | 0.392 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.6 | -42.6 | -176.2 | -171 | 0 | 0 | 0 | 0 | 111.2 | I208 L213 S214 D409 | I208-S210 PolarHBondContact O-N 3.27Å; S210-L213 PolarHBondContact O-N 2.98Å; S210-S214 PolarHBondContact O-N 3.06Å; S210-S214 PolarHBondContact O-OG 3.06Å; S210-D409 PolarHBondContact OG-OD2 3.44Å |
| 211 | T | 82.9 | Confident | 84.9 | Confident | 95 Ų | 95 | 39.1 Ų | 39.1 | 58% | 0.583 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -65 | -43 | 177.4 | -50.5 | 0 | 0 | 0 | 0 | 112.5 | I208 R209 S214 L215 | I208-T211 PolarHBondContact O-N 2.7Å; R209-T211 VanDerWaalsContact C-N 3.31Å; R209-T211 PolarHBondContact O-N 3.13Å; T211-S214 PolarHBondContact O-OG 3.03Å; T211-L215 WeakPolarHBondContact O-CB 3.49Å; T211-L215 PolarHBondContact O-N 2.83Å |
| 212 | I | 86.1 | Confident | 85.1 | Confident | 14 Ų | 14 | 39.1 Ų | 39.1 | 7% | 0.072 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -70.4 | -39.1 | 178.8 | -62.7 | 174.9 | 0 | 0 | 0 | 110.2 | P202 F205 I208 R209 L215 M216 | P202-I212 HydrophobicContact CB-CB 4.26Å; P202-I212 HydrophobicContact CB-CG2 4.21Å; P202-I212 HydrophobicContact CG-CB 4.45Å; P202-I212 HydrophobicContact CG-CG2 4Å; F205-I212 HydrophobicContact CB-CD1 3.65Å; F205-I212 HydrophobicContact CD1-CD1 3.3Å; F205-I212 HydrophobicContact CD2-CD1 3.54Å; F205-I212 HydrophobicContact CE1-CD1 3.65Å; F205-I212 HydrophobicContact CE2-CD1 3.87Å; F205-I212 HydrophobicContact CG-CD1 3.21Å; F205-I212 HydrophobicContact CZ-CD1 3.9Å; I208-I212 HydrophobicContact CD1-CD1 3.89Å; I208-I212 HydrophobicContact CG1-CD1 3.84Å; I208-I212 HydrophobicContact CG1-CG1 4.47Å; I208-I212 PolarHBondContact O-N 3.35Å; I208-I212 VanDerWaalsContact O-N 3.13Å; R209-I212 PolarHBondContact O-N 3.36Å; I212-L215 PolarHBondContact O-N 3.42Å; I212-M216 HydrophobicContact CG2-CE 4.06Å; I212-M216 HydrophobicContact CG2-CG 4.49Å; I212-M216 VanDerWaalsContact O-CG 3.26Å; I212-M216 WeakPolarHBondContact O-CG 3.37Å; I212-M216 PolarHBondContact O-N 3.26Å |
| 213 | L | 85.1 | Confident | 85.5 | Confident | 61 Ų | 61 | 39.1 Ų | 39.1 | 32% | 0.319 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -61 | -45.7 | 175.4 | -180 | 62.8 | 0 | 0 | 0 | 111.9 | L199 P202 R209 S210 L215 M216 I217 | L199-L213 HydrophobicContact CB-CD1 4.42Å; L199-L213 HydrophobicContact CD2-CD1 3.77Å; P202-L213 HydrophobicContact CB-CB 4.05Å; P202-L213 HydrophobicContact CG-CB 3.92Å; P202-L213 HydrophobicContact CG-CD1 4.14Å; R209-L213 VanDerWaalsContact O-CB 3.3Å; R209-L213 WeakPolarHBondContact O-CB 3.46Å; R209-L213 PolarHBondContact O-N 2.95Å; S210-L213 PolarHBondContact O-N 2.98Å; L213-L215 VanDerWaalsContact C-N 3.31Å; L213-L215 PolarHBondContact O-N 3.24Å; L213-M216 PolarHBondContact O-N 3.34Å; L213-I217 HydrophobicContact CD1-CD1 4.42Å; L213-I217 HydrophobicContact CG-CD1 4.26Å; L213-I217 WeakPolarHBondContact O-CG1 3.46Å; L213-I217 PolarHBondContact O-N 3.31Å |
| 214 | S | 83.4 | Confident | 85.9 | Confident | 15 Ų | 15 | 37 Ų | 37 | 11% | 0.105 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.8 | -35.2 | 178 | 65 | 0 | 0 | 0 | 0 | 112.3 | S210 T211 I217 G218 | S210-S214 PolarHBondContact O-N 3.06Å; S210-S214 PolarHBondContact O-OG 3.06Å; T211-S214 PolarHBondContact O-OG 3.03Å; S214-I217 PolarHBondContact O-N 2.89Å; S214-G218 PolarHBondContact O-N 2.65Å |
| 215 | L | 87.8 | Confident | 86.4 | Confident | 62 Ų | 62 | 37.8 Ų | 37.8 | 33% | 0.325 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -67.6 | -36.2 | 173.6 | -170.4 | 59.6 | 0 | 0 | 0 | 112.5 | I63 T211 I212 L213 G218 S219 L398 | I63-L215 HydrophobicContact CD1-CD2 3.49Å; I63-L215 VanDerWaalsContact CD1-CD2 3.49Å; I63-L215 HydrophobicContact CD1-CG 3.91Å; I63-L215 HydrophobicContact CG1-CD2 4.44Å; I63-L215 HydrophobicContact CG1-CG 4.35Å; T211-L215 WeakPolarHBondContact O-CB 3.49Å; T211-L215 PolarHBondContact O-N 2.83Å; I212-L215 PolarHBondContact O-N 3.42Å; L213-L215 VanDerWaalsContact C-N 3.31Å; L213-L215 PolarHBondContact O-N 3.24Å; L215-G218 PolarHBondContact O-N 3.13Å; L215-S219 WeakPolarHBondContact O-CB 3.45Å; L215-S219 PolarHBondContact O-N 3.36Å; L215-S219 PolarHBondContact O-OG 3.2Å; L215-L398 HydrophobicContact CD1-CD2 4.12Å |
| 216 | M | 89.5 | Confident | 87 | Confident | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -65.6 | -39.8 | 174 | -69.8 | -67.6 | 171.4 | 0 | 0 | 112.5 | A59 I63 N66 L199 L201 P202 I212 L213 S219 Y220 | A59-M216 HydrophobicContact CB-CE 4.41Å; A59-M216 WeakPolarHBondContact O-CE 3.41Å; I63-M216 HydrophobicContact CD1-CE 4.22Å; I63-M216 HydrophobicContact CG1-CE 3.64Å; I63-M216 HydrophobicContact CG1-SD 3.77Å; N66-M216 PolarHBondContact ND2-O 3.35Å; L199-M216 HydrophobicContact CD2-CB 4.29Å; L201-M216 HydrophobicContact CD2-CE 4.03Å; P202-M216 HydrophobicContact CG-CG 4.38Å; I212-M216 HydrophobicContact CG2-CE 4.06Å; I212-M216 HydrophobicContact CG2-CG 4.49Å; I212-M216 VanDerWaalsContact O-CG 3.26Å; I212-M216 WeakPolarHBondContact O-CG 3.37Å; I212-M216 PolarHBondContact O-N 3.26Å; L213-M216 PolarHBondContact O-N 3.34Å; M216-S219 PolarHBondContact O-OG 3.31Å; M216-Y220 WeakPolarHBondContact O-CB 3.44Å; M216-Y220 PolarHBondContact O-N 3.08Å; M216-Y220 VanDerWaalsContact O-N 3.13Å |
| 217 | I | 87.2 | Confident | 87.7 | Confident | 40 Ų | 40 | 35.2 Ų | 35.2 | 21% | 0.205 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.1 | -41.7 | 174.6 | -65.2 | 167.6 | 0 | 0 | 0 | 109.9 | L199 L213 S214 Y220 A221 | L199-I217 HydrophobicContact CD2-CD1 4.47Å; L199-I217 HydrophobicContact CD2-CG1 3.69Å; L213-I217 HydrophobicContact CD1-CD1 4.42Å; L213-I217 HydrophobicContact CG-CD1 4.26Å; L213-I217 WeakPolarHBondContact O-CG1 3.46Å; L213-I217 PolarHBondContact O-N 3.31Å; S214-I217 PolarHBondContact O-N 2.89Å; I217-Y220 PolarHBondContact O-N 3.49Å; I217-A221 WeakPolarHBondContact O-CB 3.31Å; I217-A221 PolarHBondContact O-N 2.94Å |
| 218 | G | 89.3 | Confident | 88.7 | Confident | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -60.5 | -43 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113 | S214 L215 A221 S222 C397 | S214-G218 PolarHBondContact O-N 2.65Å; L215-G218 PolarHBondContact O-N 3.13Å; G218-A221 PolarHBondContact O-N 3.47Å; G218-S222 WeakPolarHBondContact O-CB 3.31Å; G218-S222 PolarHBondContact O-N 3.16Å; G218-S222 PolarHBondContact O-OG 3.5Å; G218-C397 WeakPolarHBondContact CA-O 3.42Å |
| 219 | S | 92.8 | Very high | 89.4 | Confident | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -69.2 | -40.5 | 179 | 65.2 | 0 | 0 | 0 | 0 | 112.4 | N66 L215 M216 S222 S223 | N66-S219 VanDerWaalsContact CB-OG 3.26Å; N66-S219 WeakPolarHBondContact CB-OG 3.14Å; N66-S219 PolarHBondContact ND2-OG 2.93Å; L215-S219 WeakPolarHBondContact O-CB 3.45Å; L215-S219 PolarHBondContact O-N 3.36Å; L215-S219 PolarHBondContact O-OG 3.2Å; M216-S219 PolarHBondContact O-OG 3.31Å; S219-S222 PolarHBondContact O-N 2.98Å; S219-S223 PolarHBondContact O-N 2.81Å |
| 220 | Y | 91.1 | Very high | 90.1 | Very high | 24 Ų | 24 | 21.5 Ų | 21.5 | 9% | 0.094 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -56.6 | -50.4 | 169.6 | 161.7 | -101.2 | 0 | 0 | 0 | 111.4 | A71 T195 M216 I217 S222 S223 | A71-Y220 HydrophobicContact CB-CD2 3.56Å; A71-Y220 HydrophobicContact CB-CE2 3.18Å; A71-Y220 HydrophobicContact CB-CG 4.43Å; T195-Y220 HydrophobicContact CG2-CD1 4.46Å; T195-Y220 HydrophobicContact CG2-CD2 3.47Å; T195-Y220 VanDerWaalsContact CG2-CD2 3.47Å; T195-Y220 HydrophobicContact CG2-CE2 4.05Å; T195-Y220 HydrophobicContact CG2-CG 3.7Å; T195-Y220 WeakPolarHBondContact OG1-CD2 3.38Å; M216-Y220 WeakPolarHBondContact O-CB 3.44Å; M216-Y220 PolarHBondContact O-N 3.08Å; M216-Y220 VanDerWaalsContact O-N 3.13Å; I217-Y220 PolarHBondContact O-N 3.49Å; Y220-S222 VanDerWaalsContact C-N 3.28Å; Y220-S222 PolarHBondContact O-N 3.37Å; Y220-S223 WeakPolarHBondContact O-CB 3.49Å; Y220-S223 PolarHBondContact O-N 3.37Å; Y220-S223 PolarHBondContact O-OG 3.06Å |
| 221 | A | 88.8 | Confident | 91 | Very high | 4 Ų | 4 | 19 Ų | 19 | 3% | 0.033 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -63.5 | -36 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | I217 G218 S223 C397 R481 | I217-A221 WeakPolarHBondContact O-CB 3.31Å; I217-A221 PolarHBondContact O-N 2.94Å; G218-A221 PolarHBondContact O-N 3.47Å; A221-S223 VanDerWaalsContact C-N 3.28Å; A221-S223 PolarHBondContact O-N 3.44Å; A221-C397 HydrophobicContact CB-CB 3.62Å; A221-R481 PolarHBondContact O-NH1 3.22Å; A221-R481 PolarHBondContact O-NH2 2.87Å |
| 222 | S | 93 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.7 Ų | 18.7 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -77.3 | -9.1 | -179.3 | -52.8 | 0 | 0 | 0 | 0 | 114.6 | G218 S219 Y220 A224 V225 Q394 C397 L398 | G218-S222 WeakPolarHBondContact O-CB 3.31Å; G218-S222 PolarHBondContact O-N 3.16Å; G218-S222 PolarHBondContact O-OG 3.5Å; S219-S222 PolarHBondContact O-N 2.98Å; Y220-S222 VanDerWaalsContact C-N 3.28Å; Y220-S222 PolarHBondContact O-N 3.37Å; S222-A224 PolarHBondContact O-N 3.34Å; S222-V225 WeakPolarHBondContact O-CB 3.33Å; S222-V225 VanDerWaalsContact O-CG1 3.24Å; S222-V225 WeakPolarHBondContact O-CG1 3.45Å; S222-V225 PolarHBondContact O-N 3.02Å; S222-Q394 WeakPolarHBondContact CA-O 3.5Å; S222-Q394 PolarHBondContact OG-O 3.04Å; S222-C397 VanDerWaalsContact OG-CB 3.27Å; S222-C397 WeakPolarHBondContact OG-CB 3.28Å; S222-L398 WeakPolarHBondContact OG-CG 3.43Å; S222-L398 PolarHBondContact OG-N 3.44Å |
| 223 | S | 94.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 21.8 Ų | 21.8 | 0% | 0 | 12% | 0.122 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.8 | -18.1 | -172.9 | 61.3 | 0 | 0 | 0 | 0 | 115.7 | N66 L67 A71 S219 Y220 A221 V225 T226 | N66-S223 WeakPolarHBondContact O-CB 3.41Å; L67-S223 WeakPolarHBondContact O-CA 3.34Å; L67-S223 WeakPolarHBondContact O-CB 3.49Å; A71-S223 WeakPolarHBondContact CA-OG 3.44Å; A71-S223 WeakPolarHBondContact CB-OG 3.49Å; A71-S223 PolarHBondContact N-OG 2.51Å; A71-S223 VanDerWaalsContact N-OG 3.13Å; A71-S223 PolarHBondContact O-OG 3.49Å; S219-S223 PolarHBondContact O-N 2.81Å; Y220-S223 WeakPolarHBondContact O-CB 3.49Å; Y220-S223 PolarHBondContact O-N 3.37Å; Y220-S223 PolarHBondContact O-OG 3.06Å; A221-S223 VanDerWaalsContact C-N 3.28Å; A221-S223 PolarHBondContact O-N 3.44Å; S223-V225 PolarHBondContact O-N 3.38Å; S223-V225 VanDerWaalsContact O-N 3.15Å; S223-T226 VanDerWaalsContact O-CB 3.28Å; S223-T226 WeakPolarHBondContact O-CB 3.32Å; S223-T226 PolarHBondContact O-N 2.77Å; S223-T226 PolarHBondContact O-OG1 3.42Å |
| 224 | A | 91.9 | Very high | 92.6 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.008 | 11% | 0.114 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.9 | -27.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | L74 G75 S222 T226 F227 Q394 | L74-A224 HydrophobicContact CB-CB 4.11Å; G75-A224 WeakPolarHBondContact CA-O 3.3Å; S222-A224 PolarHBondContact O-N 3.34Å; A224-T226 PolarHBondContact O-N 3.01Å; A224-T226 VanDerWaalsContact O-N 3.16Å; A224-F227 PolarHBondContact O-N 3.45Å; A224-Q394 HydrophobicContact CB-CB 4.04Å; A224-Q394 HydrophobicContact CB-CG 3.76Å |
| 225 | V | 95 | Very high | 93 | Very high | 24 Ų | 24 | 23.9 Ų | 23.9 | 15% | 0.145 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -59.8 | -23.7 | 175.1 | 75.7 | 0 | 0 | 0 | 0 | 112.7 | L67 S222 S223 L228 G229 L395 | L67-V225 HydrophobicContact CD1-CG1 3.98Å; L67-V225 HydrophobicContact CG-CG1 4.46Å; S222-V225 WeakPolarHBondContact O-CB 3.33Å; S222-V225 VanDerWaalsContact O-CG1 3.24Å; S222-V225 WeakPolarHBondContact O-CG1 3.45Å; S222-V225 PolarHBondContact O-N 3.02Å; S223-V225 PolarHBondContact O-N 3.38Å; S223-V225 VanDerWaalsContact O-N 3.15Å; V225-L228 WeakPolarHBondContact O-CB 3.42Å; V225-L228 PolarHBondContact O-N 3.45Å; V225-G229 PolarHBondContact O-N 2.84Å; V225-L395 HydrophobicContact CB-CD2 4.17Å; V225-L395 HydrophobicContact CB-CG 4.21Å; V225-L395 HydrophobicContact CG1-CD2 3.89Å; V225-L395 HydrophobicContact CG1-CG 4.47Å; V225-L395 HydrophobicContact CG2-CD1 4.07Å; V225-L395 HydrophobicContact CG2-CD2 4.14Å; V225-L395 HydrophobicContact CG2-CG 3.87Å |
| 226 | T | 95.8 | Very high | 93.3 | Very high | 9 Ų | 9 | 28 Ų | 28 | 6% | 0.055 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.6 | -43 | -176.1 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | L67 F68 V72 S223 A224 L228 G229 I230 W247 | L67-T226 PolarHBondContact O-OG1 2.91Å; F68-T226 HydrophobicContact CD1-CG2 3.97Å; V72-T226 HydrophobicContact CG1-CG2 4.04Å; S223-T226 VanDerWaalsContact O-CB 3.28Å; S223-T226 WeakPolarHBondContact O-CB 3.32Å; S223-T226 PolarHBondContact O-N 2.77Å; S223-T226 PolarHBondContact O-OG1 3.42Å; A224-T226 PolarHBondContact O-N 3.01Å; A224-T226 VanDerWaalsContact O-N 3.16Å; T226-L228 VanDerWaalsContact C-N 3.28Å; T226-L228 PolarHBondContact O-N 2.8Å; T226-G229 PolarHBondContact O-N 3.03Å; T226-I230 HydrophobicContact CG2-CD1 4.14Å; T226-I230 WeakPolarHBondContact O-CG1 3.19Å; T226-I230 PolarHBondContact O-N 2.87Å; T226-W247 HydrophobicContact CG2-CH2 4.39Å; T226-W247 HydrophobicContact CG2-CZ2 3.69Å |
| 227 | F | 95.4 | Very high | 93.5 | Very high | 0 Ų | 0 | 31.2 Ų | 31.2 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -69 | -28.4 | 175.3 | -81.6 | -44.8 | 0 | 0 | 0 | 113 | V72 L73 L79 A224 I230 K231 M244 W247 | V72-F227 VanDerWaalsContact C-CD2 3.5Å; V72-F227 VanDerWaalsContact C-CE2 3.41Å; V72-F227 HydrophobicContact CB-CD2 4.16Å; V72-F227 HydrophobicContact CB-CE2 3.89Å; V72-F227 HydrophobicContact CB-CZ 4.32Å; V72-F227 HydrophobicContact CG2-CD2 4.4Å; V72-F227 HydrophobicContact CG2-CE2 3.64Å; V72-F227 HydrophobicContact CG2-CZ 3.77Å; V72-F227 WeakPolarHBondContact O-CD2 3.3Å; V72-F227 WeakPolarHBondContact O-CE2 3.47Å; L73-F227 HydrophobicContact CD2-CE2 4.22Å; L79-F227 HydrophobicContact CB-CB 4.43Å; L79-F227 HydrophobicContact CB-CD1 4.17Å; L79-F227 HydrophobicContact CB-CD2 4.01Å; L79-F227 HydrophobicContact CB-CE1 4.47Å; L79-F227 HydrophobicContact CB-CE2 4.38Å; L79-F227 HydrophobicContact CB-CG 3.98Å; L79-F227 HydrophobicContact CD1-CD1 4.18Å; L79-F227 HydrophobicContact CD1-CE1 3.97Å; L79-F227 HydrophobicContact CD1-CZ 4.46Å; L79-F227 HydrophobicContact CD2-CD1 4.49Å; L79-F227 HydrophobicContact CD2-CD2 4.23Å; L79-F227 HydrophobicContact CD2-CE1 3.97Å; L79-F227 HydrophobicContact CD2-CE2 3.73Å; L79-F227 HydrophobicContact CD2-CZ 3.62Å; L79-F227 HydrophobicContact CG-CE1 4.36Å; L79-F227 HydrophobicContact CG-CZ 4.46Å; A224-F227 PolarHBondContact O-N 3.45Å; F227-I230 HydrophobicContact CD1-CD1 3.94Å; F227-I230 HydrophobicContact CE1-CD1 4.26Å; F227-K231 WeakPolarHBondContact O-CB 3.36Å; F227-K231 PolarHBondContact O-N 3.49Å; F227-M244 HydrophobicContact CE1-CE 4.48Å; F227-W247 HydrophobicContact CD1-CH2 4.12Å; F227-W247 HydrophobicContact CD1-CZ3 4.29Å; F227-W247 AromaticContact CE1-CH2 3.41Å; F227-W247 HydrophobicContact CE1-CH2 3.41Å; F227-W247 VanDerWaalsContact CE1-CH2 3.41Å; F227-W247 AromaticContact CE1-CZ3 3.41Å; F227-W247 HydrophobicContact CE1-CZ3 3.41Å; F227-W247 VanDerWaalsContact CE1-CZ3 3.41Å; F227-W247 AromaticContact CZ-CH2 3.67Å; F227-W247 HydrophobicContact CZ-CH2 3.67Å; F227-W247 AromaticContact CZ-CZ3 3.91Å; F227-W247 HydrophobicContact CZ-CZ3 3.91Å |
| 228 | L | 95.4 | Very high | 94 | Very high | 3 Ų | 3 | 31.7 Ų | 31.7 | 2% | 0.016 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64.7 | -47.4 | 168.4 | 173.3 | 60.7 | 0 | 0 | 0 | 110.9 | V225 T226 I230 K231 L232 S388 T392 | V225-L228 WeakPolarHBondContact O-CB 3.42Å; V225-L228 PolarHBondContact O-N 3.45Å; T226-L228 VanDerWaalsContact C-N 3.28Å; T226-L228 PolarHBondContact O-N 2.8Å; L228-I230 VanDerWaalsContact C-N 3.29Å; L228-I230 PolarHBondContact O-N 3.35Å; L228-K231 WeakPolarHBondContact O-CB 3.3Å; L228-K231 PolarHBondContact O-N 3.41Å; L228-K231 VanDerWaalsContact O-N 3.09Å; L228-L232 HydrophobicContact CD1-CG 4.2Å; L228-L232 HydrophobicContact CG-CD1 4.38Å; L228-L232 WeakPolarHBondContact O-CG 3.31Å; L228-L232 PolarHBondContact O-N 2.86Å; L228-S388 WeakPolarHBondContact CD2-O 3.11Å; L228-T392 VanDerWaalsContact CD2-N 3.31Å; L228-T392 WeakPolarHBondContact CD2-OG1 3.44Å |
| 229 | G | 95.3 | Very high | 94.3 | Very high | 31 Ų | 31 | 34 Ų | 34 | 32% | 0.32 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -57.3 | -43.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | V225 T226 L232 I233 | V225-G229 PolarHBondContact O-N 2.84Å; T226-G229 PolarHBondContact O-N 3.03Å; G229-L232 PolarHBondContact O-N 3.4Å; G229-I233 WeakPolarHBondContact O-CG1 3.4Å; G229-I233 PolarHBondContact O-N 2.92Å; G229-I233 VanDerWaalsContact O-N 3.13Å |
| 230 | I | 95.9 | Very high | 94.4 | Very high | 12 Ų | 12 | 34 Ų | 34 | 6% | 0.062 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -61.9 | -44.5 | 173.8 | -70.3 | 169.9 | 0 | 0 | 0 | 111 | M82 T226 F227 L228 L232 I233 Y234 I243 M244 W247 | M82-I230 HydrophobicContact CE-CB 4.37Å; M82-I230 HydrophobicContact CE-CG2 3.72Å; M82-I230 HydrophobicContact SD-CG2 3.79Å; T226-I230 HydrophobicContact CG2-CD1 4.14Å; T226-I230 WeakPolarHBondContact O-CG1 3.19Å; T226-I230 PolarHBondContact O-N 2.87Å; F227-I230 HydrophobicContact CD1-CD1 3.94Å; F227-I230 HydrophobicContact CE1-CD1 4.26Å; L228-I230 VanDerWaalsContact C-N 3.29Å; L228-I230 PolarHBondContact O-N 3.35Å; I230-L232 PolarHBondContact O-N 3.35Å; I230-I233 PolarHBondContact O-N 3.4Å; I230-Y234 WeakPolarHBondContact O-CB 3.34Å; I230-Y234 PolarHBondContact O-N 2.98Å; I230-I243 HydrophobicContact CB-CG2 4.47Å; I230-I243 HydrophobicContact CG1-CG2 4.21Å; I230-I243 HydrophobicContact CG2-CG2 3.81Å; I230-M244 HydrophobicContact CG2-CE 3.95Å; I230-W247 HydrophobicContact CD1-CD2 3.88Å; I230-W247 HydrophobicContact CD1-CE3 3.63Å; I230-W247 HydrophobicContact CD1-CH2 3.73Å; I230-W247 HydrophobicContact CD1-CZ2 4Å; I230-W247 HydrophobicContact CD1-CZ3 3.59Å |
| 231 | K | 95.4 | Very high | 94.6 | Very high | 5 Ų | 5 | 37.1 Ų | 37.1 | 2% | 0.022 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -60 | -43.2 | 176 | 179.9 | -174.8 | 176.9 | -64.5 | 0 | 111.9 | M82 F227 L228 I233 Y234 D235 | M82-K231 HydrophobicContact CE-CB 4.1Å; M82-K231 HydrophobicContact CG-CB 4.36Å; M82-K231 HydrophobicContact CG-CG 4.33Å; M82-K231 VanDerWaalsContact SD-CA 3.52Å; M82-K231 HydrophobicContact SD-CB 3.97Å; F227-K231 WeakPolarHBondContact O-CB 3.36Å; F227-K231 PolarHBondContact O-N 3.49Å; L228-K231 WeakPolarHBondContact O-CB 3.3Å; L228-K231 PolarHBondContact O-N 3.41Å; L228-K231 VanDerWaalsContact O-N 3.09Å; K231-I233 VanDerWaalsContact C-N 3.3Å; K231-I233 PolarHBondContact O-N 2.89Å; K231-Y234 WeakPolarHBondContact O-CB 3.38Å; K231-Y234 PolarHBondContact O-N 3.45Å; K231-Y234 VanDerWaalsContact O-N 3.13Å; K231-D235 IonicContact NZ-OD1 2.79Å; K231-D235 IonicContact NZ-OD2 3.16Å; K231-D235 PolarHBondContact NZ-OD2 3.04Å; K231-D235 WeakPolarHBondContact O-CB 3.37Å; K231-D235 PolarHBondContact O-N 3.07Å |
| 232 | L | 95.1 | Very high | 95 | Very high | 88 Ų | 88 | 41.8 Ų | 41.8 | 46% | 0.461 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -61.7 | -39.6 | 177 | -67.4 | 174 | 0 | 0 | 0 | 111.7 | L228 G229 I230 Y234 D235 L236 | L228-L232 HydrophobicContact CD1-CG 4.2Å; L228-L232 HydrophobicContact CG-CD1 4.38Å; L228-L232 WeakPolarHBondContact O-CG 3.31Å; L228-L232 PolarHBondContact O-N 2.86Å; G229-L232 PolarHBondContact O-N 3.4Å; I230-L232 PolarHBondContact O-N 3.35Å; L232-Y234 VanDerWaalsContact C-N 3.34Å; L232-D235 PolarHBondContact O-N 3.4Å; L232-L236 WeakPolarHBondContact O-CG 3.3Å; L232-L236 PolarHBondContact O-N 3.03Å |
| 233 | I | 96.1 | Very high | 95.2 | Very high | 78 Ų | 78 | 42.5 Ų | 42.5 | 40% | 0.4 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.3 | -38.9 | 175 | -63.7 | 164.6 | 0 | 0 | 0 | 110.9 | G229 I230 K231 L236 V238 I243 | G229-I233 WeakPolarHBondContact O-CG1 3.4Å; G229-I233 PolarHBondContact O-N 2.92Å; G229-I233 VanDerWaalsContact O-N 3.13Å; I230-I233 PolarHBondContact O-N 3.4Å; K231-I233 VanDerWaalsContact C-N 3.3Å; K231-I233 PolarHBondContact O-N 2.89Å; I233-L236 WeakPolarHBondContact O-CB 3.32Å; I233-L236 PolarHBondContact O-N 3.46Å; I233-V238 HydrophobicContact CG2-CB 3.86Å; I233-V238 HydrophobicContact CG2-CG1 4.25Å; I233-V238 HydrophobicContact CG2-CG2 3.82Å; I233-V238 WeakPolarHBondContact O-CB 3.48Å; I233-V238 PolarHBondContact O-N 3.13Å; I233-I243 HydrophobicContact CB-CD1 4.2Å; I233-I243 HydrophobicContact CG2-CD1 3.77Å; I233-I243 HydrophobicContact CG2-CG1 4.01Å |
| 234 | Y | 95.5 | Very high | 95.3 | Very high | 37 Ų | 37 | 42.5 Ų | 42.5 | 15% | 0.145 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64 | -45.1 | 176 | 179.3 | -102.1 | 0 | 0 | 0 | 112.2 | M82 N85 E86 I230 K231 L232 L236 G237 V238 F240 I243 | M82-Y234 HydrophobicContact CG-CD1 3.8Å; M82-Y234 HydrophobicContact CG-CE1 4.27Å; M82-Y234 HydrophobicContact CG-CG 4.08Å; M82-Y234 HydrophobicContact SD-CD1 4.37Å; M82-Y234 HydrophobicContact SD-CG 4.07Å; N85-Y234 HydrophobicContact CB-CE1 4.17Å; N85-Y234 WeakPolarHBondContact CB-OH 3.44Å; E86-Y234 WeakPolarHBondContact OE1-CE2 3.4Å; E86-Y234 PolarHBondContact OE1-OH 3.24Å; I230-Y234 WeakPolarHBondContact O-CB 3.34Å; I230-Y234 PolarHBondContact O-N 2.98Å; K231-Y234 WeakPolarHBondContact O-CB 3.38Å; K231-Y234 PolarHBondContact O-N 3.45Å; K231-Y234 VanDerWaalsContact O-N 3.13Å; L232-Y234 VanDerWaalsContact C-N 3.34Å; Y234-L236 PolarHBondContact O-N 3.5Å; Y234-G237 WeakPolarHBondContact O-CA 3.48Å; Y234-G237 PolarHBondContact O-N 3.41Å; Y234-V238 WeakPolarHBondContact CD2-O 3.42Å; Y234-F240 HydrophobicContact CD2-CB 4.01Å; Y234-F240 HydrophobicContact CE2-CB 3.77Å; Y234-I243 HydrophobicContact CD2-CD1 4.49Å |
| 235 | D | 92.8 | Very high | 95.6 | Very high | 84 Ų | 84 | 48 Ų | 48 | 45% | 0.449 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -65 | -22.9 | 178.5 | -65 | -18 | 0 | 0 | 0 | 112.2 | K231 L232 G237 | K231-D235 IonicContact NZ-OD1 2.79Å; K231-D235 IonicContact NZ-OD2 3.16Å; K231-D235 PolarHBondContact NZ-OD2 3.04Å; K231-D235 WeakPolarHBondContact O-CB 3.37Å; K231-D235 PolarHBondContact O-N 3.07Å; L232-D235 PolarHBondContact O-N 3.4Å; D235-G237 PolarHBondContact O-N 2.96Å |
| 236 | L | 94.4 | Very high | 95.7 | Very high | 147 Ų | 147 | 50.8 Ų | 50.8 | 77% | 0.77 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.4 | 0.4 | 170.2 | -68.7 | 172.8 | 0 | 0 | 0 | 113.7 | L232 I233 Y234 | L232-L236 WeakPolarHBondContact O-CG 3.3Å; L232-L236 PolarHBondContact O-N 3.03Å; I233-L236 WeakPolarHBondContact O-CB 3.32Å; I233-L236 PolarHBondContact O-N 3.46Å; Y234-L236 PolarHBondContact O-N 3.5Å |
| 237 | G | 93.3 | Very high | 95.8 | Very high | 68 Ų | 68 | 50.9 Ų | 50.9 | 70% | 0.701 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94 | 9.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 114.9 | Y234 D235 | Y234-G237 WeakPolarHBondContact O-CA 3.48Å; Y234-G237 PolarHBondContact O-N 3.41Å; D235-G237 PolarHBondContact O-N 2.96Å |
| 238 | V | 96.3 | Very high | 95.9 | Very high | 51 Ų | 51 | 51.6 Ų | 51.6 | 31% | 0.309 | 29% | 0.286 | S | S | . | . | trans | -78.1 | 127 | 174.5 | -174.6 | 0 | 0 | 0 | 0 | 109.5 | I233 Y234 F240 L242 I243 | I233-V238 HydrophobicContact CG2-CB 3.86Å; I233-V238 HydrophobicContact CG2-CG1 4.25Å; I233-V238 HydrophobicContact CG2-CG2 3.82Å; I233-V238 WeakPolarHBondContact O-CB 3.48Å; I233-V238 PolarHBondContact O-N 3.13Å; Y234-V238 WeakPolarHBondContact CD2-O 3.42Å; V238-F240 PolarHBondContact O-N 3.2Å; V238-L242 HydrophobicContact CG1-CD2 4.05Å; V238-I243 HydrophobicContact CB-CD1 4.16Å; V238-I243 HydrophobicContact CB-CG1 4.24Å; V238-I243 HydrophobicContact CG1-CD1 4.18Å; V238-I243 HydrophobicContact CG1-CG1 3.7Å | ||
| 239 | S | 95.6 | Very high | 96 | Very high | 48 Ų | 48 | 53.5 Ų | 53.5 | 34% | 0.336 | 31% | 0.307 | S | S | . | . | trans | -57.1 | 132.9 | -179.5 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | R241 L242 I243 | S239-R241 PolarHBondContact O-N 2.87Å; S239-L242 WeakPolarHBondContact O-CB 3.34Å; S239-L242 PolarHBondContact O-N 2.93Å; S239-I243 PolarHBondContact O-N 2.82Å | ||
| 240 | F | 95.4 | Very high | 96 | Very high | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -50.1 | -43.3 | 176.9 | -177.8 | -95.8 | 0 | 0 | 0 | 112.8 | L79 M82 L83 E86 A170 Y234 V238 L242 I243 M244 | L79-F240 HydrophobicContact CD1-CE2 4.29Å; L79-F240 HydrophobicContact CD1-CZ 4.48Å; M82-F240 HydrophobicContact CB-CD2 4.1Å; M82-F240 HydrophobicContact CB-CE2 4.03Å; M82-F240 HydrophobicContact SD-CD2 4.33Å; M82-F240 HydrophobicContact SD-CE2 4.43Å; L83-F240 HydrophobicContact CD2-CZ 3.91Å; E86-F240 VanDerWaalsContact CD-CB 3.4Å; E86-F240 HydrophobicContact CG-CB 3.68Å; E86-F240 HydrophobicContact CG-CD1 4.06Å; E86-F240 HydrophobicContact CG-CD2 4.21Å; E86-F240 HydrophobicContact CG-CG 3.74Å; A170-F240 HydrophobicContact CB-CD1 3.71Å; A170-F240 HydrophobicContact CB-CE1 4.06Å; Y234-F240 HydrophobicContact CD2-CB 4.01Å; Y234-F240 HydrophobicContact CE2-CB 3.77Å; V238-F240 PolarHBondContact O-N 3.2Å; F240-L242 VanDerWaalsContact C-N 3.35Å; F240-L242 PolarHBondContact O-N 3.44Å; F240-I243 PolarHBondContact O-N 2.95Å; F240-M244 HydrophobicContact CD1-CG 4.06Å; F240-M244 HydrophobicContact CD2-CE 4.17Å; F240-M244 HydrophobicContact CE1-CE 4.4Å; F240-M244 HydrophobicContact CE1-CG 3.71Å; F240-M244 HydrophobicContact CE2-CE 3.44Å; F240-M244 VanDerWaalsContact CE2-CE 3.44Å; F240-M244 HydrophobicContact CE2-CG 4.3Å; F240-M244 HydrophobicContact CG-CG 4.5Å; F240-M244 HydrophobicContact CZ-CE 3.58Å; F240-M244 HydrophobicContact CZ-CG 3.84Å; F240-M244 HydrophobicContact CZ-SD 4.31Å; F240-M244 WeakPolarHBondContact O-CG 3.47Å; F240-M244 PolarHBondContact O-N 3.39Å |
| 241 | R | 95.8 | Very high | 96 | Very high | 90 Ų | 90 | 56 Ų | 56 | 34% | 0.34 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -56.5 | -46 | 177.6 | -69.1 | -177 | -70.2 | -111.6 | 3 | 112.4 | A170 S239 M244 W245 | A170-R241 HydrophobicContact CB-CG 3.77Å; A170-R241 PolarHBondContact O-NH1 3.41Å; S239-R241 PolarHBondContact O-N 2.87Å; R241-M244 PolarHBondContact O-N 3.17Å; R241-W245 VanDerWaalsContact O-CD1 3.22Å; R241-W245 PolarHBondContact O-N 3.32Å |
| 242 | L | 96.8 | Very high | 96 | Very high | 102 Ų | 102 | 58.8 Ų | 58.8 | 53% | 0.534 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 179.7 | 179.4 | 62 | 0 | 0 | 0 | 110.6 | V238 S239 F240 M244 W245 V246 | V238-L242 HydrophobicContact CG1-CD2 4.05Å; S239-L242 WeakPolarHBondContact O-CB 3.34Å; S239-L242 PolarHBondContact O-N 2.93Å; F240-L242 VanDerWaalsContact C-N 3.35Å; F240-L242 PolarHBondContact O-N 3.44Å; L242-M244 VanDerWaalsContact C-N 3.34Å; L242-M244 PolarHBondContact O-N 3.11Å; L242-W245 PolarHBondContact O-N 3.34Å; L242-V246 HydrophobicContact CD1-CG2 4.2Å; L242-V246 HydrophobicContact CG-CG2 4.47Å; L242-V246 VanDerWaalsContact O-CG2 3.31Å; L242-V246 WeakPolarHBondContact O-CG2 3.34Å; L242-V246 PolarHBondContact O-N 3.49Å |
| 243 | I | 97.4 | Very high | 96 | Very high | 15 Ų | 15 | 60.4 Ų | 60.4 | 8% | 0.077 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.3 | -46 | 179.9 | -55.9 | 168.6 | 0 | 0 | 0 | 110.5 | I230 I233 Y234 V238 S239 F240 V246 W247 | I230-I243 HydrophobicContact CB-CG2 4.47Å; I230-I243 HydrophobicContact CG1-CG2 4.21Å; I230-I243 HydrophobicContact CG2-CG2 3.81Å; I233-I243 HydrophobicContact CB-CD1 4.2Å; I233-I243 HydrophobicContact CG2-CD1 3.77Å; I233-I243 HydrophobicContact CG2-CG1 4.01Å; Y234-I243 HydrophobicContact CD2-CD1 4.49Å; V238-I243 HydrophobicContact CB-CD1 4.16Å; V238-I243 HydrophobicContact CB-CG1 4.24Å; V238-I243 HydrophobicContact CG1-CD1 4.18Å; V238-I243 HydrophobicContact CG1-CG1 3.7Å; S239-I243 PolarHBondContact O-N 2.82Å; F240-I243 PolarHBondContact O-N 2.95Å; I243-V246 PolarHBondContact O-N 3.32Å; I243-W247 WeakPolarHBondContact O-CB 3.5Å; I243-W247 PolarHBondContact O-N 3.18Å |
| 244 | M | 97.2 | Very high | 96 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.5 | -36.8 | -179.4 | -67.8 | -61.5 | 157.3 | 0 | 0 | 113.2 | M166 A167 F227 I230 F240 R241 L242 W247 T248 | M166-M244 HydrophobicContact CB-CG 4.27Å; M166-M244 HydrophobicContact CB-SD 4.26Å; M166-M244 HydrophobicContact SD-SD 4.26Å; A167-M244 HydrophobicContact CB-CB 3.62Å; F227-M244 HydrophobicContact CE1-CE 4.48Å; I230-M244 HydrophobicContact CG2-CE 3.95Å; F240-M244 HydrophobicContact CD1-CG 4.06Å; F240-M244 HydrophobicContact CD2-CE 4.17Å; F240-M244 HydrophobicContact CE1-CE 4.4Å; F240-M244 HydrophobicContact CE1-CG 3.71Å; F240-M244 HydrophobicContact CE2-CE 3.44Å; F240-M244 VanDerWaalsContact CE2-CE 3.44Å; F240-M244 HydrophobicContact CE2-CG 4.3Å; F240-M244 HydrophobicContact CG-CG 4.5Å; F240-M244 HydrophobicContact CZ-CE 3.58Å; F240-M244 HydrophobicContact CZ-CG 3.84Å; F240-M244 HydrophobicContact CZ-SD 4.31Å; F240-M244 WeakPolarHBondContact O-CG 3.47Å; F240-M244 PolarHBondContact O-N 3.39Å; R241-M244 PolarHBondContact O-N 3.17Å; L242-M244 VanDerWaalsContact C-N 3.34Å; L242-M244 PolarHBondContact O-N 3.11Å; M244-W247 HydrophobicContact CE-CE3 4.39Å; M244-W247 HydrophobicContact CE-CZ3 4.35Å; M244-W247 PolarHBondContact O-N 3.19Å; M244-W247 HydrophobicContact SD-CE3 3.71Å; M244-W247 HydrophobicContact SD-CZ3 4.03Å; M244-T248 PolarHBondContact O-N 2.82Å; M244-T248 PolarHBondContact O-OG1 3.35Å |
| 245 | W | 97.6 | Very high | 96 | Very high | 115 Ų | 115 | 57.2 Ų | 57.2 | 44% | 0.436 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -66.7 | -42.1 | 172.3 | -83.4 | 122.6 | 0 | 0 | 0 | 112.9 | A164 A167 Y171 R241 L242 W247 T248 G249 | A164-W245 HydrophobicContact CB-CH2 4.23Å; A164-W245 HydrophobicContact CB-CZ3 3.95Å; A167-W245 HydrophobicContact CB-CD2 4.07Å; A167-W245 HydrophobicContact CB-CG 4.05Å; A167-W245 HydrophobicContact CB-CZ2 4.49Å; Y171-W245 AromaticContact CE2-NE1 3.86Å; Y171-W245 PolarHBondContact OH-NE1 3.37Å; R241-W245 VanDerWaalsContact O-CD1 3.22Å; R241-W245 PolarHBondContact O-N 3.32Å; L242-W245 PolarHBondContact O-N 3.34Å; W245-W247 VanDerWaalsContact C-N 3.3Å; W245-W247 PolarHBondContact O-N 2.9Å; W245-T248 HydrophobicContact CE3-CG2 4.44Å; W245-T248 HydrophobicContact CZ3-CG2 4.49Å; W245-T248 VanDerWaalsContact O-CB 3.3Å; W245-T248 WeakPolarHBondContact O-CB 3.44Å; W245-T248 PolarHBondContact O-N 3.36Å; W245-G249 PolarHBondContact O-N 3.18Å |
| 246 | V | 97.6 | Very high | 96.1 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 50% | 0.503 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -60.8 | -44.1 | 174.9 | 169.2 | 0 | 0 | 0 | 0 | 110.1 | L242 I243 T248 G249 L250 | L242-V246 HydrophobicContact CD1-CG2 4.2Å; L242-V246 HydrophobicContact CG-CG2 4.47Å; L242-V246 VanDerWaalsContact O-CG2 3.31Å; L242-V246 WeakPolarHBondContact O-CG2 3.34Å; L242-V246 PolarHBondContact O-N 3.49Å; I243-V246 PolarHBondContact O-N 3.32Å; V246-T248 VanDerWaalsContact C-N 3.31Å; V246-T248 PolarHBondContact O-N 3.08Å; V246-G249 WeakPolarHBondContact O-CA 3.37Å; V246-G249 PolarHBondContact O-N 2.97Å; V246-L250 WeakPolarHBondContact O-CG 3.28Å; V246-L250 PolarHBondContact O-N 3.24Å |
| 247 | W | 96.7 | Very high | 96.2 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 4% | 0.042 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.4 | -34.6 | 178.5 | -163.3 | 25.7 | 0 | 0 | 0 | 112.8 | F68 F69 V72 F159 C163 T226 F227 I230 I243 M244 W245 G249 L250 A251 | F68-W247 WeakPolarHBondContact O-CZ2 3.29Å; F68-W247 PolarHBondContact O-NE1 3.37Å; F69-W247 AromaticContact CD1-NE1 3.67Å; F69-W247 AromaticContact CE1-CD1 3.39Å; F69-W247 AromaticContact CE1-NE1 3.26Å; F69-W247 VanDerWaalsContact CE1-NE1 3.26Å; F69-W247 AromaticContact CZ-CD1 3.96Å; F69-W247 AromaticContact CZ-NE1 3.89Å; V72-W247 HydrophobicContact CB-CH2 4.28Å; V72-W247 HydrophobicContact CB-CZ2 4.41Å; V72-W247 HydrophobicContact CG1-CH2 4.48Å; V72-W247 HydrophobicContact CG1-CZ2 4.11Å; V72-W247 HydrophobicContact CG2-CH2 3.79Å; V72-W247 HydrophobicContact CG2-CZ2 4.14Å; F159-W247 HydrophobicContact CE1-CH2 4.28Å; F159-W247 AromaticContact CE1-CZ2 3.83Å; F159-W247 HydrophobicContact CE1-CZ2 3.83Å; F159-W247 HydrophobicContact CZ-CH2 4.19Å; F159-W247 AromaticContact CZ-CZ2 3.87Å; F159-W247 HydrophobicContact CZ-CZ2 3.87Å; C163-W247 HydrophobicContact CB-CE3 4.38Å; T226-W247 HydrophobicContact CG2-CH2 4.39Å; T226-W247 HydrophobicContact CG2-CZ2 3.69Å; F227-W247 HydrophobicContact CD1-CH2 4.12Å; F227-W247 HydrophobicContact CD1-CZ3 4.29Å; F227-W247 AromaticContact CE1-CH2 3.41Å; F227-W247 HydrophobicContact CE1-CH2 3.41Å; F227-W247 VanDerWaalsContact CE1-CH2 3.41Å; F227-W247 AromaticContact CE1-CZ3 3.41Å; F227-W247 HydrophobicContact CE1-CZ3 3.41Å; F227-W247 VanDerWaalsContact CE1-CZ3 3.41Å; F227-W247 AromaticContact CZ-CH2 3.67Å; F227-W247 HydrophobicContact CZ-CH2 3.67Å; F227-W247 AromaticContact CZ-CZ3 3.91Å; F227-W247 HydrophobicContact CZ-CZ3 3.91Å; I230-W247 HydrophobicContact CD1-CD2 3.88Å; I230-W247 HydrophobicContact CD1-CE3 3.63Å; I230-W247 HydrophobicContact CD1-CH2 3.73Å; I230-W247 HydrophobicContact CD1-CZ2 4Å; I230-W247 HydrophobicContact CD1-CZ3 3.59Å; I243-W247 WeakPolarHBondContact O-CB 3.5Å; I243-W247 PolarHBondContact O-N 3.18Å; M244-W247 HydrophobicContact CE-CE3 4.39Å; M244-W247 HydrophobicContact CE-CZ3 4.35Å; M244-W247 PolarHBondContact O-N 3.19Å; M244-W247 HydrophobicContact SD-CE3 3.71Å; M244-W247 HydrophobicContact SD-CZ3 4.03Å; W245-W247 VanDerWaalsContact C-N 3.3Å; W245-W247 PolarHBondContact O-N 2.9Å; W247-G249 VanDerWaalsContact C-N 3.35Å; W247-G249 PolarHBondContact O-N 3.02Å; W247-L250 PolarHBondContact O-N 2.83Å; W247-A251 PolarHBondContact O-N 3.03Å |
| 248 | T | 97.8 | Very high | 96.2 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 9% | 0.092 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -58.3 | -45.6 | 168.8 | -57.6 | 0 | 0 | 0 | 0 | 111.4 | C163 A164 M244 W245 V246 L250 A251 C252 | C163-T248 VanDerWaalsContact C-OG1 3.3Å; C163-T248 WeakPolarHBondContact CB-OG1 3.38Å; A164-T248 HydrophobicContact CB-CG2 3.98Å; A164-T248 PolarHBondContact N-OG1 2.69Å; M244-T248 PolarHBondContact O-N 2.82Å; M244-T248 PolarHBondContact O-OG1 3.35Å; W245-T248 HydrophobicContact CE3-CG2 4.44Å; W245-T248 HydrophobicContact CZ3-CG2 4.49Å; W245-T248 VanDerWaalsContact O-CB 3.3Å; W245-T248 WeakPolarHBondContact O-CB 3.44Å; W245-T248 PolarHBondContact O-N 3.36Å; V246-T248 VanDerWaalsContact C-N 3.31Å; V246-T248 PolarHBondContact O-N 3.08Å; T248-L250 VanDerWaalsContact C-N 3.34Å; T248-L250 PolarHBondContact O-N 3.36Å; T248-A251 WeakPolarHBondContact O-CB 3.42Å; T248-A251 PolarHBondContact O-N 2.87Å; T248-C252 PolarHBondContact O-N 2.94Å; T248-C252 PolarHBondContact O-SG 3.5Å; T248-C252 VanDerWaalsContact O-SG 3.41Å |
| 249 | G | 97.1 | Very high | 96 | Very high | 43 Ų | 43 | 49.2 Ų | 49.2 | 44% | 0.443 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -60.1 | -41.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | W245 V246 W247 C252 F253 | W245-G249 PolarHBondContact O-N 3.18Å; V246-G249 WeakPolarHBondContact O-CA 3.37Å; V246-G249 PolarHBondContact O-N 2.97Å; W247-G249 VanDerWaalsContact C-N 3.35Å; W247-G249 PolarHBondContact O-N 3.02Å; G249-C252 WeakPolarHBondContact O-CB 3.44Å; G249-C252 PolarHBondContact O-N 2.89Å; G249-F253 PolarHBondContact O-N 3.38Å |
| 250 | L | 96.2 | Very high | 95.8 | Very high | 96 Ų | 96 | 50.9 Ų | 50.9 | 50% | 0.503 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -65.7 | -38.7 | 174.4 | -61.5 | 174.4 | 0 | 0 | 0 | 112.1 | F69 V246 W247 T248 C252 F253 V254 | F69-L250 HydrophobicContact CE1-CB 4.08Å; F69-L250 HydrophobicContact CZ-CB 3.65Å; V246-L250 WeakPolarHBondContact O-CG 3.28Å; V246-L250 PolarHBondContact O-N 3.24Å; W247-L250 PolarHBondContact O-N 2.83Å; T248-L250 VanDerWaalsContact C-N 3.34Å; T248-L250 PolarHBondContact O-N 3.36Å; L250-C252 VanDerWaalsContact C-N 3.3Å; L250-C252 PolarHBondContact O-N 2.86Å; L250-F253 VanDerWaalsContact O-CB 3.27Å; L250-F253 WeakPolarHBondContact O-CB 3.48Å; L250-F253 PolarHBondContact O-N 3.28Å; L250-V254 PolarHBondContact O-N 3.47Å |
| 251 | A | 95.6 | Very high | 95.6 | Very high | 1 Ų | 1 | 51.5 Ų | 51.5 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -63.6 | -35.7 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | F69 F159 A160 W247 T248 F253 V254 I255 | F69-A251 HydrophobicContact CD1-CB 3.97Å; F69-A251 HydrophobicContact CE1-CB 3.86Å; F159-A251 HydrophobicContact CD1-CB 4.39Å; A160-A251 HydrophobicContact CB-CB 3.71Å; W247-A251 PolarHBondContact O-N 3.03Å; T248-A251 WeakPolarHBondContact O-CB 3.42Å; T248-A251 PolarHBondContact O-N 2.87Å; A251-F253 VanDerWaalsContact C-N 3.26Å; A251-F253 PolarHBondContact O-N 3.47Å; A251-V254 VanDerWaalsContact O-CB 3.28Å; A251-V254 WeakPolarHBondContact O-CB 3.42Å; A251-V254 PolarHBondContact O-N 2.81Å; A251-I255 PolarHBondContact O-N 3.03Å |
| 252 | C | 96.3 | Very high | 95.3 | Very high | 62 Ų | 62 | 47.3 Ų | 47.3 | 42% | 0.419 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63 | -31.7 | 171.3 | -70 | 0 | 0 | 0 | 0 | 112.7 | T248 G249 L250 V254 I255 L256 | T248-C252 PolarHBondContact O-N 2.94Å; T248-C252 PolarHBondContact O-SG 3.5Å; T248-C252 VanDerWaalsContact O-SG 3.41Å; G249-C252 WeakPolarHBondContact O-CB 3.44Å; G249-C252 PolarHBondContact O-N 2.89Å; L250-C252 VanDerWaalsContact C-N 3.3Å; L250-C252 PolarHBondContact O-N 2.86Å; C252-V254 VanDerWaalsContact C-N 3.29Å; C252-V254 PolarHBondContact O-N 3.26Å; C252-I255 WeakPolarHBondContact O-CB 3.42Å; C252-I255 PolarHBondContact O-N 3.48Å; C252-L256 PolarHBondContact O-N 3.04Å |
| 253 | F | 95.5 | Very high | 94.9 | Very high | 122 Ų | 122 | 42.5 Ų | 42.5 | 54% | 0.535 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.8 | -32.6 | 172.3 | -171.2 | -98.3 | 0 | 0 | 0 | 112.1 | G249 L250 A251 I255 L256 N257 | G249-F253 PolarHBondContact O-N 3.38Å; L250-F253 VanDerWaalsContact O-CB 3.27Å; L250-F253 WeakPolarHBondContact O-CB 3.48Å; L250-F253 PolarHBondContact O-N 3.28Å; A251-F253 VanDerWaalsContact C-N 3.26Å; A251-F253 PolarHBondContact O-N 3.47Å; F253-I255 VanDerWaalsContact C-N 3.33Å; F253-L256 HydrophobicContact CD2-CD2 4.37Å; F253-L256 HydrophobicContact CE2-CD2 4.49Å; F253-L256 PolarHBondContact O-N 3.32Å; F253-N257 WeakPolarHBondContact O-CB 3.19Å; F253-N257 PolarHBondContact O-N 2.97Å |
| 254 | V | 95.6 | Very high | 93.9 | Very high | 5 Ų | 5 | 43.9 Ų | 43.9 | 3% | 0.03 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.7 | -40 | 171.8 | -176.7 | 0 | 0 | 0 | 0 | 111.1 | E65 F69 L194 L250 A251 C252 L256 N257 C258 | E65-V254 HydrophobicContact CG-CG1 4.01Å; E65-V254 HydrophobicContact CG-CG2 3.96Å; F69-V254 HydrophobicContact CD2-CG2 3.82Å; F69-V254 HydrophobicContact CE2-CG2 3.89Å; F69-V254 HydrophobicContact CG-CG2 4.19Å; F69-V254 HydrophobicContact CZ-CG2 4.33Å; L194-V254 HydrophobicContact CD2-CG1 3.85Å; L250-V254 PolarHBondContact O-N 3.47Å; A251-V254 VanDerWaalsContact O-CB 3.28Å; A251-V254 WeakPolarHBondContact O-CB 3.42Å; A251-V254 PolarHBondContact O-N 2.81Å; C252-V254 VanDerWaalsContact C-N 3.29Å; C252-V254 PolarHBondContact O-N 3.26Å; V254-L256 VanDerWaalsContact C-N 3.33Å; V254-L256 PolarHBondContact O-N 3.45Å; V254-N257 PolarHBondContact O-N 3.41Å; V254-C258 VanDerWaalsContact O-CB 3.27Å; V254-C258 WeakPolarHBondContact O-CB 3.46Å; V254-C258 PolarHBondContact O-N 2.91Å |
| 255 | I | 96.1 | Very high | 93 | Very high | 43 Ų | 43 | 49.3 Ų | 49.3 | 22% | 0.221 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.5 | -45 | 173.7 | -56 | 171.6 | 0 | 0 | 0 | 110.1 | L153 S156 A160 A251 C252 F253 C258 F259 | L153-I255 HydrophobicContact CD2-CG2 3.99Å; S156-I255 WeakPolarHBondContact OG-CG1 3.06Å; A160-I255 HydrophobicContact CB-CD1 4.38Å; A251-I255 PolarHBondContact O-N 3.03Å; C252-I255 WeakPolarHBondContact O-CB 3.42Å; C252-I255 PolarHBondContact O-N 3.48Å; F253-I255 VanDerWaalsContact C-N 3.33Å; I255-C258 VanDerWaalsContact O-CB 3.31Å; I255-C258 WeakPolarHBondContact O-CB 3.09Å; I255-C258 PolarHBondContact O-N 3.33Å; I255-F259 WeakPolarHBondContact O-CB 3.29Å; I255-F259 PolarHBondContact O-N 3.2Å |
| 256 | L | 95.1 | Very high | 91.9 | Very high | 85 Ų | 85 | 47.3 Ų | 47.3 | 45% | 0.445 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -65.2 | -47.6 | 178.5 | -177.9 | 63.6 | 0 | 0 | 0 | 111.9 | C252 F253 V254 C258 F259 L260 | C252-L256 PolarHBondContact O-N 3.04Å; F253-L256 HydrophobicContact CD2-CD2 4.37Å; F253-L256 HydrophobicContact CE2-CD2 4.49Å; F253-L256 PolarHBondContact O-N 3.32Å; V254-L256 VanDerWaalsContact C-N 3.33Å; V254-L256 PolarHBondContact O-N 3.45Å; L256-C258 PolarHBondContact O-N 3.4Å; L256-F259 PolarHBondContact O-N 2.8Å; L256-L260 HydrophobicContact CD1-CD1 3.9Å; L256-L260 HydrophobicContact CD1-CG 4.11Å; L256-L260 HydrophobicContact CG-CD1 3.86Å; L256-L260 HydrophobicContact CG-CG 4.42Å; L256-L260 WeakPolarHBondContact O-CB 3.38Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 2.92Å |
| 257 | N | 94.6 | Very high | 90.9 | Very high | 6 Ų | 6 | 44 Ų | 44 | 3% | 0.032 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -55.3 | -38.9 | 174.4 | -172.3 | 44.1 | 0 | 0 | 0 | 110.2 | W57 T61 E65 F253 V254 L260 N261 | W57-N257 PolarHBondContact NE1-OD1 2.97Å; W57-N257 VanDerWaalsContact NE1-OD1 3.16Å; T61-N257 WeakPolarHBondContact CB-ND2 3.33Å; T61-N257 PolarHBondContact OG1-ND2 3.34Å; T61-N257 VanDerWaalsContact OG1-ND2 3.13Å; E65-N257 PolarHBondContact OE1-ND2 2.72Å; F253-N257 WeakPolarHBondContact O-CB 3.19Å; F253-N257 PolarHBondContact O-N 2.97Å; V254-N257 PolarHBondContact O-N 3.41Å; N257-L260 PolarHBondContact O-N 2.82Å; N257-N261 WeakPolarHBondContact O-CB 3.15Å; N257-N261 PolarHBondContact O-N 3.02Å; N257-N261 PolarHBondContact OD1-ND2 3.03Å |
| 258 | C | 93.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -64 | -49.5 | 177.2 | 178.8 | 0 | 0 | 0 | 0 | 113.9 | L153 V254 I255 L256 L260 W262 | L153-C258 HydrophobicContact CD2-CB 3.9Å; L153-C258 WeakPolarHBondContact CD2-SG 3.44Å; L153-C258 WeakPolarHBondContact CG-SG 3.33Å; V254-C258 VanDerWaalsContact O-CB 3.27Å; V254-C258 WeakPolarHBondContact O-CB 3.46Å; V254-C258 PolarHBondContact O-N 2.91Å; I255-C258 VanDerWaalsContact O-CB 3.31Å; I255-C258 WeakPolarHBondContact O-CB 3.09Å; I255-C258 PolarHBondContact O-N 3.33Å; L256-C258 PolarHBondContact O-N 3.4Å; C258-L260 VanDerWaalsContact C-N 3.26Å; C258-L260 PolarHBondContact O-N 3.37Å; C258-W262 HydrophobicContact CB-CE3 3.3Å; C258-W262 HydrophobicContact CB-CZ3 3.34Å; C258-W262 PolarHBondContact O-N 3.44Å |
| 259 | F | 92.1 | Very high | 87.8 | Confident | 91 Ų | 91 | 47.1 Ų | 47.1 | 40% | 0.399 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -59.4 | -40.1 | 179.6 | -171.1 | -97.7 | 0 | 0 | 0 | 112 | V43 R149 I255 L256 | V43-F259 HydrophobicContact CB-CE1 4.45Å; V43-F259 HydrophobicContact CB-CZ 4.49Å; V43-F259 HydrophobicContact CG1-CE1 4.49Å; R149-F259 PolarHBondContact NH1-O 3.24Å; R149-F259 PolarHBondContact NH2-O 3.11Å; I255-F259 WeakPolarHBondContact O-CB 3.29Å; I255-F259 PolarHBondContact O-N 3.2Å; L256-F259 PolarHBondContact O-N 2.8Å |
| 260 | L | 91.4 | Very high | 85.8 | Confident | 83 Ų | 83 | 47.5 Ų | 47.5 | 44% | 0.435 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -83.8 | -30.9 | -174.6 | -65.2 | 176.3 | 0 | 0 | 0 | 115 | P46 R54 L256 N257 C258 | P46-L260 WeakPolarHBondContact CG-O 3.41Å; R54-L260 PolarHBondContact NH1-O 3.09Å; L256-L260 HydrophobicContact CD1-CD1 3.9Å; L256-L260 HydrophobicContact CD1-CG 4.11Å; L256-L260 HydrophobicContact CG-CD1 3.86Å; L256-L260 HydrophobicContact CG-CG 4.42Å; L256-L260 WeakPolarHBondContact O-CB 3.38Å; L256-L260 VanDerWaalsContact O-CG 3.29Å; L256-L260 WeakPolarHBondContact O-CG 3.33Å; L256-L260 PolarHBondContact O-N 2.92Å; N257-L260 PolarHBondContact O-N 2.82Å; C258-L260 VanDerWaalsContact C-N 3.26Å; C258-L260 PolarHBondContact O-N 3.37Å |
| 261 | N | 91.3 | Very high | 83.6 | Confident | 14 Ų | 14 | 48.9 Ų | 48.9 | 8% | 0.075 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -117.2 | -30.7 | -168.2 | -67.5 | -55 | 0 | 0 | 0 | 115.4 | R54 W57 M58 N257 | R54-N261 VanDerWaalsContact CD-OD1 3.23Å; R54-N261 WeakPolarHBondContact CD-OD1 3.23Å; R54-N261 PolarHBondContact NH1-OD1 3.29Å; W57-N261 PolarHBondContact NE1-ND2 2.88Å; M58-N261 WeakPolarHBondContact CE-O 3.47Å; M58-N261 HydrophobicContact CG-CB 4.22Å; N257-N261 WeakPolarHBondContact O-CB 3.15Å; N257-N261 PolarHBondContact O-N 3.02Å; N257-N261 PolarHBondContact OD1-ND2 3.03Å |
| 262 | W | 90.6 | Very high | 81.1 | Confident | 2 Ų | 2 | 55.2 Ų | 55.2 | 1% | 0.008 | 31% | 0.307 | C | S | . | . | S | Bend | trans | -78 | 133.2 | -179.9 | -85.4 | -62.7 | 0 | 0 | 0 | 112.5 | P46 M58 S62 E65 R149 R152 C258 | P46-W262 WeakPolarHBondContact CD-O 3.16Å; M58-W262 HydrophobicContact CE-CG 3.94Å; S62-W262 WeakPolarHBondContact OG-CZ2 3.39Å; E65-W262 VanDerWaalsContact OE2-CH2 3.3Å; E65-W262 WeakPolarHBondContact OE2-CH2 3.29Å; R149-W262 HydrophobicContact CB-CB 4.47Å; R149-W262 PolarHBondContact NH1-O 2.92Å; R152-W262 VanDerWaalsContact CD-CD2 3.49Å; R152-W262 VanDerWaalsContact CD-CH2 3.43Å; R152-W262 HydrophobicContact CG-CE3 4.28Å; R152-W262 HydrophobicContact CG-CZ3 4.35Å; C258-W262 HydrophobicContact CB-CE3 3.3Å; C258-W262 HydrophobicContact CB-CZ3 3.34Å; C258-W262 PolarHBondContact O-N 3.44Å |
| 263 | P | 87.6 | Confident | 78.2 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 31% | 0.31 | C | S | . | . | trans | -71.7 | 157.3 | 179.4 | 30.8 | -33.9 | 0 | 0 | 0 | 112.1 | P46 L48 A51 R149 E265 F267 | P46-P263 VanDerWaalsContact O-CA 3.25Å; P46-P263 WeakPolarHBondContact O-CA 3.18Å; L48-P263 HydrophobicContact CD1-CB 4.49Å; L48-P263 HydrophobicContact CD1-CG 4.17Å; A51-P263 HydrophobicContact CB-CB 4.07Å; A51-P263 HydrophobicContact CB-CG 3.81Å; R149-P263 WeakPolarHBondContact CB-O 3.48Å; P263-E265 VanDerWaalsContact C-N 3.33Å; P263-F267 HydrophobicContact CG-CE1 3.68Å; P263-F267 HydrophobicContact CG-CZ 3.9Å | ||
| 264 | G | 77.1 | Confident | 75.1 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 45% | 0.454 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -73.2 | -26.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | P46 | P46-G264 PolarHBondContact O-N 3.31Š|
| 265 | E | 76.8 | Confident | 72.1 | Confident | 115 Ų | 115 | 69.7 Ų | 69.7 | 54% | 0.537 | 36% | 0.361 | S | S | . | . | S | Bend | trans | -84.4 | 148.5 | 177 | -66.3 | 166.4 | -152.5 | 0 | 0 | 111.2 | L48 P263 | L48-E265 WeakPolarHBondContact CB-OE2 3.48Å; P263-E265 VanDerWaalsContact C-N 3.33Å |
| 266 | S | 75 | Confident | 68.8 | Low | 73 Ų | 73 | 74 Ų | 74 | 51% | 0.51 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -73.4 | 152.1 | 172.9 | 52.3 | 0 | 0 | 0 | 0 | 111.4 | ||
| 267 | F | 76.8 | Confident | 65.5 | Low | 14 Ų | 14 | 78.4 Ų | 78.4 | 6% | 0.061 | 41% | 0.405 | C | S | . | . | P | Polyproline II helix | trans | -72.6 | 127.2 | 175 | -57.2 | -63.1 | 0 | 0 | 0 | 109.5 | L48 M58 P148 I200 L201 N203 M204 P263 | L48-F267 HydrophobicContact CD1-CD1 3.78Å; L48-F267 HydrophobicContact CD1-CE1 4.06Å; M58-F267 HydrophobicContact CE-CZ 4.2Å; P148-F267 HydrophobicContact CG-CE2 4.38Å; I200-F267 HydrophobicContact CB-CD2 4.22Å; I200-F267 HydrophobicContact CD1-CD2 3.5Å; I200-F267 HydrophobicContact CD1-CE2 3.94Å; I200-F267 HydrophobicContact CG1-CD2 3.73Å; I200-F267 HydrophobicContact CG1-CE2 4.11Å; L201-F267 HydrophobicContact CD1-CE2 4.15Å; L201-F267 HydrophobicContact CD1-CZ 3.89Å; N203-F267 HydrophobicContact CB-CB 4.39Å; M204-F267 HydrophobicContact CE-CE1 4.23Å; M204-F267 HydrophobicContact CG-CD1 3.76Å; M204-F267 HydrophobicContact CG-CE1 4Å; M204-F267 HydrophobicContact CG-CG 4.37Å; M204-F267 HydrophobicContact SD-CD1 3.71Å; M204-F267 HydrophobicContact SD-CE1 3.29Å; M204-F267 WeakPolarHBondContact SD-CE1 3.49Å; M204-F267 HydrophobicContact SD-CZ 3.85Å; P263-F267 HydrophobicContact CG-CE1 3.68Å; P263-F267 HydrophobicContact CG-CZ 3.9Å |
| 268 | P | 67.8 | Low | 62.4 | Low | 51 Ų | 51 | 87.6 Ų | 87.6 | 33% | 0.331 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -61 | 141.5 | -179.7 | 23.6 | -32.4 | 0 | 0 | 0 | 110.6 | ||
| 269 | A | 62.9 | Low | 59.2 | Low | 39 Ų | 39 | 96 Ų | 96 | 32% | 0.322 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -65.2 | 148.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.7 | E271 D272 S273 | A269-E271 PolarHBondContact O-N 3.41Å; A269-D272 PolarHBondContact O-N 3.08Å; A269-D272 VanDerWaalsContact O-N 3.09Å; A269-S273 PolarHBondContact O-N 2.97Å |
| 270 | P | 53.6 | Low | 56 | Low | 52 Ų | 52 | 102.6 Ų | 102.6 | 34% | 0.338 | 51% | 0.508 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -30.8 | 176.5 | 27.4 | -42.1 | 0 | 0 | 0 | 114.1 | S273 | P270-S273 WeakPolarHBondContact CA-OG 3.43Å; P270-S273 PolarHBondContact O-N 3.26Å; P270-S273 PolarHBondContact O-OG 2.72Å |
| 271 | E | 50.3 | Low | 52.9 | Low | 124 Ų | 124 | 104.9 Ų | 104.9 | 58% | 0.579 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.5 | -32.2 | 179.3 | -60.9 | -168.9 | 172.7 | 0 | 0 | 111.8 | A269 S273 A498 | A269-E271 PolarHBondContact O-N 3.41Å; E271-S273 VanDerWaalsContact C-N 3.27Å; E271-S273 PolarHBondContact O-N 3.37Å; E271-A498 WeakPolarHBondContact OE1-CB 3.4Å |
| 272 | D | 43.2 | Very low | 50 | Low | 135 Ų | 135 | 109.9 Ų | 109.9 | 72% | 0.722 | 55% | 0.545 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -16.2 | 174.5 | -60.8 | -38.1 | 0 | 0 | 0 | 112.7 | A269 | A269-D272 PolarHBondContact O-N 3.08Å; A269-D272 VanDerWaalsContact O-N 3.09Å |
| 273 | S | 35.6 | Very low | 47.1 | Very low | 68 Ų | 68 | 112.1 Ų | 112.1 | 48% | 0.476 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.7 | 6.5 | -178.5 | 74 | 0 | 0 | 0 | 0 | 114.6 | A269 P270 E271 Y275 | A269-S273 PolarHBondContact O-N 2.97Å; P270-S273 WeakPolarHBondContact CA-OG 3.43Å; P270-S273 PolarHBondContact O-N 3.26Å; P270-S273 PolarHBondContact O-OG 2.72Å; E271-S273 VanDerWaalsContact C-N 3.27Å; E271-S273 PolarHBondContact O-N 3.37Å; S273-Y275 PolarHBondContact O-N 3.42Å |
| 274 | R | 29.8 | Very low | 44.6 | Very low | 218 Ų | 218 | 117.2 Ų | 117.2 | 82% | 0.823 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -70.1 | 82.8 | 174.1 | -156.9 | -170.4 | -62.1 | -144.5 | 5.1 | 109.2 | T276 | R274-T276 PolarHBondContact O-N 2.91Š|
| 275 | Y | 33 | Very low | 42.5 | Very low | 206 Ų | 206 | 118.9 Ų | 118.9 | 81% | 0.808 | 60% | 0.596 | S | S | * | * | trans | -26.1 | 102.2 | 174.8 | -94.1 | -97.2 | 0 | 0 | 0 | 113.5 | S273 K277 | S273-Y275 PolarHBondContact O-N 3.42Å; Y275-K277 VanDerWaalsContact C-N 3.29Å; Y275-K277 PolarHBondContact O-N 2.97Å; Y275-K277 VanDerWaalsContact O-N 3.1Å | ||
| 276 | T | 27.1 | Very low | 40.5 | Very low | 133 Ų | 133 | 117.4 Ų | 117.4 | 82% | 0.816 | 60% | 0.595 | S | S | * | * | trans | -75.4 | 86.9 | 155.3 | 14.2 | 0 | 0 | 0 | 0 | 107.7 | R274 K278 | R274-T276 PolarHBondContact O-N 2.91Å; T276-K278 VanDerWaalsContact C-N 3.26Å; T276-K278 PolarHBondContact O-N 2.85Å | ||
| 277 | K | 26.3 | Very low | 38.5 | Very low | 179 Ų | 179 | 120.3 Ų | 120.3 | 78% | 0.778 | 60% | 0.6 | S | S | * | * | trans | -68.1 | 90 | 159 | -87 | -173.9 | 176.5 | -178.8 | 0 | 107.8 | Y275 M279 | Y275-K277 VanDerWaalsContact C-N 3.29Å; Y275-K277 PolarHBondContact O-N 2.97Å; Y275-K277 VanDerWaalsContact O-N 3.1Å; K277-M279 PolarHBondContact O-N 2.92Å | ||
| 278 | K | 27.7 | Very low | 36.4 | Very low | 199 Ų | 199 | 125 Ų | 125 | 87% | 0.865 | 63% | 0.626 | S | S | * | * | trans | -81.3 | 100.7 | 162.7 | -103.3 | -175.6 | 175.5 | 177.7 | 0 | 107.8 | T276 R280 | T276-K278 VanDerWaalsContact C-N 3.26Å; T276-K278 PolarHBondContact O-N 2.85Å; K278-R280 PolarHBondContact O-N 3.39Å | ||
| 279 | M | 27.4 | Very low | 35.1 | Very low | 176 Ų | 176 | 134.4 Ų | 134.4 | 87% | 0.867 | 66% | 0.655 | S | S | * | * | trans | -69.3 | 119.7 | 162.8 | -94.7 | 165.6 | 160.3 | 0 | 0 | 108.1 | K277 | K277-M279 PolarHBondContact O-N 2.92Š| ||
| 280 | R | 25.5 | Very low | 34.3 | Very low | 230 Ų | 230 | 138.9 Ų | 138.9 | 87% | 0.868 | 68% | 0.678 | S | S | * | * | trans | -110.8 | 115.1 | 168.1 | -145 | -172.4 | -128.3 | -164.5 | 3 | 107.8 | K278 | K278-R280 PolarHBondContact O-N 3.39Š| ||
| 281 | M | 25.1 | Very low | 33.8 | Very low | 130 Ų | 130 | 141.7 Ų | 141.7 | 64% | 0.64 | 69% | 0.694 | S | S | * | * | trans | -88.2 | 115.5 | 177.9 | -160.8 | 91.8 | 117.7 | 0 | 0 | 108.1 | N298 | M281-N298 HydrophobicContact CE-CB 4.37Å; M281-N298 HydrophobicContact SD-CB 4.44Å | ||
| 282 | N | 30.8 | Very low | 33.1 | Very low | 120 Ų | 120 | 139.1 Ų | 139.1 | 64% | 0.642 | 70% | 0.702 | S | S | * | * | trans | -106.9 | 114.2 | 168 | -84.6 | 11.1 | 0 | 0 | 0 | 108.4 | ||||
| 283 | G | 29.1 | Very low | 32.5 | Very low | 49 Ų | 49 | 137.6 Ų | 137.6 | 51% | 0.505 | 69% | 0.693 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -79.6 | 123.4 | 173.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | ||
| 284 | I | 35.2 | Very low | 32.3 | Very low | 106 Ų | 106 | 143 Ų | 143 | 54% | 0.544 | 70% | 0.703 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -99.6 | 118.9 | 168.6 | -65.6 | 174.8 | 0 | 0 | 0 | 107.1 | T286 | I284-T286 HydrophobicContact CG2-CG2 4.31Å |
| 285 | V | 33.1 | Very low | 32.4 | Very low | 79 Ų | 79 | 140.4 Ų | 140.4 | 48% | 0.479 | 70% | 0.695 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -85.9 | 120.8 | 171.5 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | E287 R294 | V285-E287 HydrophobicContact CG1-CG 4.5Å; V285-R294 HydrophobicContact CG1-CG 4.47Å |
| 286 | T | 35.5 | Very low | 32.5 | Very low | 85 Ų | 85 | 136.3 Ų | 136.3 | 52% | 0.521 | 69% | 0.686 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -110.1 | 126.3 | 169.1 | 35 | 0 | 0 | 0 | 0 | 107.9 | I284 | I284-T286 HydrophobicContact CG2-CG2 4.31Å |
| 287 | E | 32.4 | Very low | 32.7 | Very low | 133 Ų | 133 | 133.6 Ų | 133.6 | 62% | 0.621 | 67% | 0.669 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -102.3 | 122.9 | 175.5 | -79.2 | 178.3 | 174.1 | 0 | 0 | 108.6 | V285 R294 | V285-E287 HydrophobicContact CG1-CG 4.5Å; E287-R294 HydrophobicContact CG-CG 4.21Å; E287-R294 IonicContact OE1-CZ 3.78Å; E287-R294 IonicContact OE1-NE 3.14Å; E287-R294 PolarHBondContact OE1-NE 3.46Å; E287-R294 VanDerWaalsContact OE1-NE 3.14Å; E287-R294 IonicContact OE1-NH2 3.58Å |
| 288 | D | 33.3 | Very low | 33 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 61% | 0.61 | 66% | 0.655 | S | S | * | * | trans | -92.8 | 127.8 | 173 | -167.2 | 15.1 | 0 | 0 | 0 | 110 | V290 | D288-V290 VanDerWaalsContact C-N 3.31Å; D288-V290 PolarHBondContact O-N 3.37Å | ||
| 289 | R | 40.2 | Very low | 33.2 | Very low | 248 Ų | 248 | 123.8 Ų | 123.8 | 94% | 0.936 | 64% | 0.637 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.5 | 7.6 | -165.6 | -84.7 | -167 | 173.9 | 166.5 | 0 | 115.3 | ||
| 290 | V | 45.6 | Very low | 33.2 | Very low | 133 Ų | 133 | 123.2 Ų | 123.2 | 81% | 0.806 | 63% | 0.634 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.6 | -19.5 | -176.7 | -176.6 | 0 | 0 | 0 | 0 | 113.8 | D288 | D288-V290 VanDerWaalsContact C-N 3.31Å; D288-V290 PolarHBondContact O-N 3.37Å |
| 291 | T | 43.6 | Very low | 33.3 | Very low | 110 Ų | 110 | 118.7 Ų | 118.7 | 68% | 0.675 | 63% | 0.626 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -131.2 | -7.5 | -174.8 | -21.3 | 0 | 0 | 0 | 0 | 115 | D293 | T291-D293 VanDerWaalsContact C-N 3.29Å; T291-D293 PolarHBondContact O-N 2.86Å |
| 292 | G | 35.9 | Very low | 33.4 | Very low | 71 Ų | 71 | 120.9 Ų | 120.9 | 73% | 0.732 | 64% | 0.636 | S | S | * | * | trans | 75.7 | 2.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 293 | D | 31 | Very low | 33.2 | Very low | 102 Ų | 102 | 122.4 Ų | 122.4 | 55% | 0.545 | 64% | 0.64 | S | S | . | * | trans | -89.2 | 133.7 | 177.4 | -80.6 | -28 | 0 | 0 | 0 | 112.8 | T291 Y295 | T291-D293 VanDerWaalsContact C-N 3.29Å; T291-D293 PolarHBondContact O-N 2.86Å; D293-Y295 HydrophobicContact CB-CD2 4.45Å; D293-Y295 HydrophobicContact CB-CE2 3.87Å | ||
| 294 | R | 31.5 | Very low | 33 | Very low | 183 Ų | 183 | 127.7 Ų | 127.7 | 69% | 0.691 | 66% | 0.657 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -87.9 | 118.6 | 177.4 | -100.9 | 177.5 | 164.6 | -172.2 | -8 | 110.7 | V285 E287 | V285-R294 HydrophobicContact CG1-CG 4.47Å; E287-R294 HydrophobicContact CG-CG 4.21Å; E287-R294 IonicContact OE1-CZ 3.78Å; E287-R294 IonicContact OE1-NE 3.14Å; E287-R294 PolarHBondContact OE1-NE 3.46Å; E287-R294 VanDerWaalsContact OE1-NE 3.14Å; E287-R294 IonicContact OE1-NH2 3.58Å |
| 295 | Y | 32.2 | Very low | 32.4 | Very low | 163 Ų | 163 | 127.9 Ų | 127.9 | 64% | 0.639 | 66% | 0.663 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -110.7 | 127.3 | 170.6 | -71.8 | -86.4 | 0 | 0 | 0 | 111.5 | D293 | D293-Y295 HydrophobicContact CB-CD2 4.45Å; D293-Y295 HydrophobicContact CB-CE2 3.87Å |
| 296 | I | 34.3 | Very low | 32.1 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 62% | 0.615 | 68% | 0.683 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -93.3 | 111 | 172.9 | -59.8 | 175.3 | 0 | 0 | 0 | 107.6 | ||
| 297 | T | 30.6 | Very low | 31.5 | Very low | 75 Ų | 75 | 132.2 Ų | 132.2 | 46% | 0.46 | 69% | 0.693 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -100.2 | 111.4 | 173.2 | -50.2 | 0 | 0 | 0 | 0 | 109 | V299 | T297-V299 HydrophobicContact CG2-CG2 4.15Å; T297-V299 PolarHBondContact O-N 2.83Å |
| 298 | N | 32.8 | Very low | 31.2 | Very low | 93 Ų | 93 | 131.4 Ų | 131.4 | 50% | 0.497 | 70% | 0.699 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -82.2 | 107.4 | 173.2 | -68.6 | -43 | 0 | 0 | 0 | 108.8 | M281 | M281-N298 HydrophobicContact CE-CB 4.37Å; M281-N298 HydrophobicContact SD-CB 4.44Å |
| 299 | V | 31.3 | Very low | 30.7 | Very low | 79 Ų | 79 | 135.2 Ų | 135.2 | 48% | 0.479 | 71% | 0.711 | S | S | . | * | trans | -97.3 | 120.4 | 176.4 | -172.4 | 0 | 0 | 0 | 0 | 109.2 | T297 I301 | T297-V299 HydrophobicContact CG2-CG2 4.15Å; T297-V299 PolarHBondContact O-N 2.83Å; V299-I301 HydrophobicContact CG1-CD1 4.33Å; V299-I301 HydrophobicContact CG1-CG1 3.78Å; V299-I301 PolarHBondContact O-N 3.06Å | ||
| 300 | M | 28.5 | Very low | 29.9 | Very low | 165 Ų | 165 | 129.3 Ų | 129.3 | 81% | 0.813 | 70% | 0.704 | S | S | * | * | trans | -80.6 | 102.4 | 169.1 | -75.1 | -174.6 | -124.6 | 0 | 0 | 109 | ||||
| 301 | I | 27.8 | Very low | 29 | Very low | 134 Ų | 134 | 131.9 Ų | 131.9 | 69% | 0.687 | 71% | 0.708 | S | S | * | * | trans | -100.4 | 120 | 169.8 | -56.2 | -177.8 | 0 | 0 | 0 | 108 | V299 | V299-I301 HydrophobicContact CG1-CD1 4.33Å; V299-I301 HydrophobicContact CG1-CG1 3.78Å; V299-I301 PolarHBondContact O-N 3.06Å | ||
| 302 | M | 27.1 | Very low | 28.2 | Very low | 176 Ų | 176 | 135.4 Ų | 135.4 | 87% | 0.867 | 72% | 0.717 | S | S | * | * | trans | -94.6 | 101 | 174.8 | -168.2 | 168.6 | 167.9 | 0 | 0 | 107.5 | ||||
| 303 | E | 26 | Very low | 27.7 | Very low | 153 Ų | 153 | 137.9 Ų | 137.9 | 72% | 0.715 | 72% | 0.722 | S | S | * | * | trans | -110.4 | 119.5 | -179.3 | -156.6 | 174.2 | -165 | 0 | 0 | 110 | T305 | E303-T305 PolarHBondContact O-N 3.21Š| ||
| 304 | D | 25.5 | Very low | 27.4 | Very low | 160 Ų | 160 | 142.3 Ų | 142.3 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | -82.6 | 95.7 | 173.2 | -87 | -23.4 | 0 | 0 | 0 | 109.1 | ||||
| 305 | T | 22.9 | Very low | 27.1 | Very low | 109 Ų | 109 | 143.8 Ų | 143.8 | 67% | 0.669 | 75% | 0.751 | S | S | * | * | trans | -126.9 | 120.9 | 167.7 | 14.9 | 0 | 0 | 0 | 0 | 111.5 | E303 S307 | E303-T305 PolarHBondContact O-N 3.21Å; T305-S307 PolarHBondContact O-N 3.36Å | ||
| 306 | V | 26.8 | Very low | 26.7 | Very low | 151 Ų | 151 | 147.2 Ų | 147.2 | 92% | 0.915 | 76% | 0.763 | S | S | * | * | trans | -77 | 107.2 | 166.1 | 176.6 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 307 | S | 22.5 | Very low | 26.2 | Very low | 105 Ų | 105 | 150.8 Ų | 150.8 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | P | Polyproline II helix | trans | -103.1 | 133.9 | 170.3 | -112.5 | 0 | 0 | 0 | 0 | 110.2 | T305 | T305-S307 PolarHBondContact O-N 3.36Š|
| 308 | P | 25.2 | Very low | 26 | Very low | 115 Ų | 115 | 152.7 Ų | 152.7 | 75% | 0.747 | 79% | 0.793 | S | S | * | * | P | Polyproline II helix | trans | -68.1 | 146.3 | 166.8 | 0.9 | 14 | 0 | 0 | 0 | 109.4 | ||
| 309 | K | 24 | Very low | 25.8 | Very low | 194 Ų | 194 | 157 Ų | 157 | 84% | 0.843 | 81% | 0.81 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 131.8 | 172.3 | -122.2 | 178.3 | 179.7 | 179.6 | 0 | 110.2 | Q311 | K309-Q311 PolarHBondContact O-N 3.37Š|
| 310 | P | 22.7 | Very low | 25.5 | Very low | 124 Ų | 124 | 161.2 Ų | 161.2 | 81% | 0.805 | 83% | 0.83 | S | S | * | * | P | Polyproline II helix | trans | -61.4 | 123.1 | 162.7 | -14.6 | 28.1 | 0 | 0 | 0 | 108.4 | ||
| 311 | Q | 27.6 | Very low | 25.6 | Very low | 187 Ų | 187 | 157.4 Ų | 157.4 | 87% | 0.874 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -71.2 | 146.7 | 164 | -105.5 | 178.6 | -23.5 | 0 | 0 | 109.1 | K309 | K309-Q311 PolarHBondContact O-N 3.37Š|
| 312 | E | 26.7 | Very low | 26 | Very low | 185 Ų | 185 | 156.6 Ų | 156.6 | 86% | 0.864 | 83% | 0.831 | S | S | * | * | S | Bend | trans | 83.7 | 93.1 | 174.5 | -60.9 | -173.9 | 148.1 | 0 | 0 | 117.3 | ||
| 313 | S | 24.6 | Very low | 27.3 | Very low | 122 Ų | 122 | 154.4 Ų | 154.4 | 85% | 0.853 | 83% | 0.828 | S | S | * | * | trans | 156.5 | 38.6 | 132.2 | 55.7 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 314 | E | 24.9 | Very low | 29.4 | Very low | 196 Ų | 196 | 150.1 Ų | 150.1 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -128.8 | 73.6 | 163.9 | -81.7 | -177.8 | 164 | 0 | 0 | 110.3 | ||||
| 315 | K | 24.6 | Very low | 31.9 | Very low | 214 Ų | 214 | 146.4 Ų | 146.4 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -107.1 | 13.3 | 168.3 | -110.8 | -176.3 | -177 | 179.6 | 0 | 113.1 | ||||
| 316 | R | 25.1 | Very low | 34.6 | Very low | 234 Ų | 234 | 144.9 Ų | 144.9 | 88% | 0.883 | 78% | 0.784 | S | S | * | * | S | Bend | trans | -143.4 | 91 | 176.3 | -80.3 | -174.7 | 174.4 | -178.6 | -2.5 | 110.4 | ||
| 317 | H | 23.4 | Very low | 37.2 | Very low | 196 Ų | 196 | 142 Ų | 142 | 91% | 0.907 | 77% | 0.769 | S | S | * | * | S | Bend | trans | 138.3 | 62.2 | 161.3 | -78.7 | 11.2 | 0 | 0 | 0 | 111.7 | ||
| 318 | S | 25.8 | Very low | 40.2 | Very low | 115 Ų | 115 | 145.6 Ų | 145.6 | 80% | 0.804 | 77% | 0.766 | S | S | * | * | trans | -149.1 | 52 | 156 | 174.8 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 319 | E | 28.7 | Very low | 43.1 | Very low | 183 Ų | 183 | 140.3 Ų | 140.3 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | trans | -100.4 | 128.6 | 157.2 | -73 | -178.5 | 162 | 0 | 0 | 105.9 | ||||
| 320 | N | 25.3 | Very low | 46.1 | Very low | 167 Ų | 167 | 132.7 Ų | 132.7 | 89% | 0.893 | 70% | 0.702 | S | S | * | * | trans | 107.5 | 37 | 177.2 | -53.6 | -16.9 | 0 | 0 | 0 | 118.7 | ||||
| 321 | A | 30.8 | Very low | 49.2 | Very low | 85 Ų | 85 | 130.9 Ų | 130.9 | 70% | 0.702 | 69% | 0.691 | S | S | * | * | trans | -121.7 | 102.2 | 142.5 | 0 | 0 | 0 | 0 | 0 | 107.9 | T323 | A321-T323 PolarHBondContact O-N 3.36Š| ||
| 322 | S | 36 | Very low | 52.2 | Low | 117 Ų | 117 | 123.1 Ų | 123.1 | 82% | 0.818 | 66% | 0.658 | S | S | * | * | trans | -64.2 | 99.5 | -179.5 | 45.1 | 0 | 0 | 0 | 0 | 110.4 | V324 | S322-V324 PolarHBondContact O-N 3.16Š| ||
| 323 | T | 54 | Low | 55.3 | Low | 131 Ų | 131 | 116.9 Ų | 116.9 | 80% | 0.804 | 63% | 0.633 | S | S | * | * | trans | -61.7 | 109.3 | 169.2 | 50.3 | 0 | 0 | 0 | 0 | 108.1 | A321 P325 | A321-T323 PolarHBondContact O-N 3.36Å; T323-P325 WeakPolarHBondContact O-CD 3.25Å | ||
| 324 | V | 69.9 | Low | 58.5 | Low | 63 Ų | 63 | 111.3 Ų | 111.3 | 38% | 0.382 | 59% | 0.594 | S | S | . | * | trans | -55.2 | 124.8 | 179.3 | 177.9 | 0 | 0 | 0 | 0 | 108.5 | S322 R328 H500 | S322-V324 PolarHBondContact O-N 3.16Å; V324-R328 HydrophobicContact CG1-CB 4.34Å; V324-H500 PolarHBondContact O-CE1 3.41Å; V324-H500 PolarHBondContact O-NE2 3.38Å | ||
| 325 | P | 79.5 | Confident | 61.7 | Low | 82 Ų | 82 | 102.1 Ų | 102.1 | 53% | 0.532 | 55% | 0.551 | S | S | . | * | trans | -66.9 | 141.4 | -179.6 | 22.7 | -30.6 | 0 | 0 | 0 | 111.4 | T323 C327 R328 | T323-P325 WeakPolarHBondContact O-CD 3.25Å; P325-C327 PolarHBondContact O-N 3.37Å; P325-R328 HydrophobicContact CG-CB 4.14Å; P325-R328 WeakPolarHBondContact O-CB 3.43Å; P325-R328 PolarHBondContact O-N 3.45Å | ||
| 326 | I | 79.1 | Confident | 65 | Low | 77 Ų | 77 | 96.4 Ų | 96.4 | 40% | 0.395 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -55 | -40 | 179.9 | -66.9 | 168.2 | 0 | 0 | 0 | 111.6 | R328 S329 V330 H500 T503 | I326-R328 PolarHBondContact O-N 3.23Å; I326-S329 WeakPolarHBondContact O-CA 3.33Å; I326-S329 WeakPolarHBondContact O-CB 3.42Å; I326-S329 PolarHBondContact O-N 3.49Å; I326-V330 HydrophobicContact CG2-CG2 4.09Å; I326-V330 PolarHBondContact O-N 2.94Å; I326-H500 WeakPolarHBondContact CG1-NE2 3.4Å; I326-T503 HydrophobicContact CG2-CG2 4.28Å |
| 327 | C | 81.3 | Confident | 68.3 | Low | 89 Ų | 89 | 89.2 Ų | 89.2 | 60% | 0.601 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -55 | -38.4 | 178.1 | -173.9 | 0 | 0 | 0 | 0 | 112.2 | P325 S329 V330 C331 | P325-C327 PolarHBondContact O-N 3.37Å; C327-S329 VanDerWaalsContact C-N 3.28Å; C327-S329 PolarHBondContact O-N 2.96Å; C327-V330 PolarHBondContact O-N 3.19Å; C327-C331 WeakPolarHBondContact O-CB 3.16Å; C327-C331 PolarHBondContact O-N 2.84Å; C327-C331 PolarHBondContact O-SG 3.36Å; C327-C331 VanDerWaalsContact O-SG 3.41Å |
| 328 | R | 85.4 | Confident | 71.6 | Confident | 181 Ų | 181 | 79.9 Ų | 79.9 | 68% | 0.683 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -67.2 | -30.2 | 176 | -170.6 | 177.3 | -177.6 | -176.1 | 1.4 | 112.4 | V324 P325 I326 S332 | V324-R328 HydrophobicContact CG1-CB 4.34Å; P325-R328 HydrophobicContact CG-CB 4.14Å; P325-R328 WeakPolarHBondContact O-CB 3.43Å; P325-R328 PolarHBondContact O-N 3.45Å; I326-R328 PolarHBondContact O-N 3.23Å; R328-S332 PolarHBondContact O-N 3.5Å |
| 329 | S | 85.6 | Confident | 74.9 | Confident | 5 Ų | 5 | 75 Ų | 75 | 4% | 0.035 | 43% | 0.425 | C | S | . | . | H | α-helix | trans | -75.1 | -40.7 | 176.1 | -59.4 | 0 | 0 | 0 | 0 | 112 | I326 C327 S332 H500 | I326-S329 WeakPolarHBondContact O-CA 3.33Å; I326-S329 WeakPolarHBondContact O-CB 3.42Å; I326-S329 PolarHBondContact O-N 3.49Å; C327-S329 VanDerWaalsContact C-N 3.28Å; C327-S329 PolarHBondContact O-N 2.96Å; S329-S332 WeakPolarHBondContact O-CB 3.26Å; S329-S332 PolarHBondContact O-N 3.48Å; S329-H500 PolarHBondContact OG-CE1 3.37Å; S329-H500 PolarHBondContact OG-ND1 3.5Å |
| 330 | V | 86.8 | Confident | 78 | Confident | 34 Ų | 34 | 68.9 Ų | 68.9 | 21% | 0.206 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -68.3 | -38.5 | 177.1 | 177 | 0 | 0 | 0 | 0 | 111.5 | I326 C327 S332 F335 L504 F507 | I326-V330 HydrophobicContact CG2-CG2 4.09Å; I326-V330 PolarHBondContact O-N 2.94Å; C327-V330 PolarHBondContact O-N 3.19Å; V330-S332 PolarHBondContact O-N 3.37Å; V330-F335 HydrophobicContact CG1-CD1 4.38Å; V330-F335 HydrophobicContact CG1-CE1 4.04Å; V330-F335 WeakPolarHBondContact O-CD1 3.44Å; V330-L504 HydrophobicContact CG2-CD2 3.87Å; V330-F507 HydrophobicContact CG2-CD2 4.33Å; V330-F507 HydrophobicContact CG2-CE2 4.45Å |
| 331 | C | 87.6 | Confident | 81.3 | Confident | 86 Ų | 86 | 61 Ų | 61 | 58% | 0.581 | 36% | 0.358 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82 | 6.8 | 175.8 | -62.9 | 0 | 0 | 0 | 0 | 113.5 | C327 | C327-C331 WeakPolarHBondContact O-CB 3.16Å; C327-C331 PolarHBondContact O-N 2.84Å; C327-C331 PolarHBondContact O-SG 3.36Å; C327-C331 VanDerWaalsContact O-SG 3.41Å |
| 332 | S | 91.3 | Very high | 84.3 | Confident | 23 Ų | 23 | 57 Ų | 57 | 16% | 0.161 | 33% | 0.325 | C | S | . | . | trans | -70.1 | 135.4 | 177.8 | 173 | 0 | 0 | 0 | 0 | 110.4 | R328 S329 V330 I334 F335 L336 Y496 | R328-S332 PolarHBondContact O-N 3.5Å; S329-S332 WeakPolarHBondContact O-CB 3.26Å; S329-S332 PolarHBondContact O-N 3.48Å; V330-S332 PolarHBondContact O-N 3.37Å; S332-I334 PolarHBondContact O-N 3.49Å; S332-I334 PolarHBondContact OG-N 3.13Å; S332-F335 WeakPolarHBondContact O-CB 3.23Å; S332-F335 PolarHBondContact O-N 3.22Å; S332-L336 PolarHBondContact O-N 2.86Å; S332-Y496 WeakPolarHBondContact CB-OH 3.32Å; S332-Y496 PolarHBondContact OG-OH 3.19Å | ||
| 333 | P | 91.2 | Very high | 87.1 | Confident | 55 Ų | 55 | 51.8 Ų | 51.8 | 36% | 0.357 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -31.8 | 177.8 | 23.3 | -34.4 | 0 | 0 | 0 | 112.8 | F335 L336 W337 Y554 | P333-F335 VanDerWaalsContact C-N 3.35Å; P333-L336 PolarHBondContact O-N 3.23Å; P333-W337 WeakPolarHBondContact O-CB 3.42Å; P333-W337 PolarHBondContact O-N 3.37Å; P333-Y554 HydrophobicContact CB-CE1 4.09Å; P333-Y554 HydrophobicContact CB-CE2 4.25Å; P333-Y554 HydrophobicContact CG-CE1 4.09Å; P333-Y554 WeakPolarHBondContact CG-OH 2.85Å |
| 334 | I | 92 | Very high | 89.1 | Confident | 5 Ų | 5 | 46.4 Ų | 46.4 | 3% | 0.026 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -62.1 | -45.4 | 175.6 | -62.3 | 174.4 | 0 | 0 | 0 | 110.6 | S332 S338 L491 V495 Y554 L555 | S332-I334 PolarHBondContact O-N 3.49Å; S332-I334 PolarHBondContact OG-N 3.13Å; I334-S338 WeakPolarHBondContact O-CB 3.34Å; I334-S338 PolarHBondContact O-N 3.4Å; I334-S338 PolarHBondContact O-OG 3.43Å; I334-L491 HydrophobicContact CG2-CD1 4.32Å; I334-L491 HydrophobicContact CG2-CD2 4.04Å; I334-L491 HydrophobicContact CG2-CG 4.37Å; I334-V495 HydrophobicContact CD1-CG1 3.81Å; I334-V495 HydrophobicContact CD1-CG2 4.42Å; I334-Y554 HydrophobicContact CG1-CD1 4.17Å; I334-Y554 HydrophobicContact CG1-CE1 3.64Å; I334-L555 HydrophobicContact CB-CD2 4.44Å; I334-L555 HydrophobicContact CD1-CD2 4.21Å; I334-L555 HydrophobicContact CG1-CD2 3.97Å; I334-L555 HydrophobicContact CG2-CD2 3.82Å |
| 335 | F | 92.6 | Very high | 90.3 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.009 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.8 | -48.9 | 178.6 | 179.5 | -101.9 | 0 | 0 | 0 | 110.8 | V330 S332 P333 W337 S338 V339 Y492 Y496 L504 F507 Q508 | V330-F335 HydrophobicContact CG1-CD1 4.38Å; V330-F335 HydrophobicContact CG1-CE1 4.04Å; V330-F335 WeakPolarHBondContact O-CD1 3.44Å; S332-F335 WeakPolarHBondContact O-CB 3.23Å; S332-F335 PolarHBondContact O-N 3.22Å; P333-F335 VanDerWaalsContact C-N 3.35Å; F335-W337 PolarHBondContact O-N 2.91Å; F335-S338 WeakPolarHBondContact CA-OG 3.37Å; F335-S338 WeakPolarHBondContact O-CA 3.29Å; F335-S338 WeakPolarHBondContact O-CB 3.41Å; F335-S338 PolarHBondContact O-N 3.18Å; F335-S338 PolarHBondContact O-OG 3.21Å; F335-V339 HydrophobicContact CD1-CG2 3.94Å; F335-V339 HydrophobicContact CD2-CG2 4.37Å; F335-V339 HydrophobicContact CE1-CG2 3.53Å; F335-V339 HydrophobicContact CE2-CG2 3.96Å; F335-V339 HydrophobicContact CG-CG2 4.37Å; F335-V339 HydrophobicContact CZ-CG2 3.53Å; F335-V339 WeakPolarHBondContact O-CG2 3.38Å; F335-V339 PolarHBondContact O-N 3.16Å; F335-Y492 AromaticContact CD2-CE1 3.93Å; F335-Y492 HydrophobicContact CD2-CE1 3.93Å; F335-Y492 AromaticContact CD2-CZ 3.77Å; F335-Y492 WeakPolarHBondContact CD2-OH 3.22Å; F335-Y492 HydrophobicContact CE2-CE1 4.46Å; F335-Y492 HydrophobicContact CE2-CE2 4.39Å; F335-Y492 AromaticContact CE2-CZ 3.84Å; F335-Y492 VanDerWaalsContact CE2-OH 3.29Å; F335-Y492 WeakPolarHBondContact CE2-OH 3.44Å; F335-Y496 WeakPolarHBondContact CB-OH 3.44Å; F335-Y496 PolarHBondContact N-OH 3.35Å; F335-L504 HydrophobicContact CD2-CB 4.32Å; F335-L504 HydrophobicContact CD2-CD2 3.77Å; F335-L504 HydrophobicContact CD2-CG 4.48Å; F335-L504 HydrophobicContact CE2-CB 3.93Å; F335-L504 HydrophobicContact CE2-CD2 3.75Å; F335-L504 HydrophobicContact CE2-CG 4.4Å; F335-L504 WeakPolarHBondContact CE2-O 3.11Å; F335-L504 HydrophobicContact CG-CD2 4.25Å; F335-L504 HydrophobicContact CZ-CD2 4.2Å; F335-F507 HydrophobicContact CZ-CB 3.83Å; F335-Q508 HydrophobicContact CE2-CB 4.28Å; F335-Q508 HydrophobicContact CZ-CB 4.46Å |
| 336 | L | 93.3 | Very high | 91 | Very high | 94 Ų | 94 | 40.2 Ų | 40.2 | 49% | 0.492 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58 | -45.8 | -179.8 | -66 | 175.3 | 0 | 0 | 0 | 112.1 | S332 P333 S338 V339 V340 | S332-L336 PolarHBondContact O-N 2.86Å; P333-L336 PolarHBondContact O-N 3.23Å; L336-S338 PolarHBondContact O-N 2.87Å; L336-V339 PolarHBondContact O-N 2.99Å; L336-V340 WeakPolarHBondContact O-CG2 3.42Å; L336-V340 PolarHBondContact O-N 3.47Å; L336-V340 VanDerWaalsContact O-N 3.07Å |
| 337 | W | 94.3 | Very high | 91.7 | Very high | 83 Ų | 83 | 37 Ų | 37 | 31% | 0.314 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -62.6 | -41.3 | 173.9 | -77.5 | 121.2 | 0 | 0 | 0 | 112 | P333 F335 V339 V340 V341 L550 L551 Y554 | P333-W337 WeakPolarHBondContact O-CB 3.42Å; P333-W337 PolarHBondContact O-N 3.37Å; F335-W337 PolarHBondContact O-N 2.91Å; W337-V339 VanDerWaalsContact C-N 3.3Å; W337-V339 PolarHBondContact O-N 3.15Å; W337-V340 PolarHBondContact O-N 3.09Å; W337-V341 WeakPolarHBondContact O-CG2 3.29Å; W337-V341 PolarHBondContact O-N 2.82Å; W337-L550 HydrophobicContact CD2-CB 4.44Å; W337-L550 HydrophobicContact CE3-CB 3.91Å; W337-L550 HydrophobicContact CE3-CD1 4.36Å; W337-L550 HydrophobicContact CH2-CB 4.13Å; W337-L550 HydrophobicContact CH2-CD1 3.49Å; W337-L550 VanDerWaalsContact CH2-CD1 3.49Å; W337-L550 HydrophobicContact CH2-CG 4.41Å; W337-L550 HydrophobicContact CZ3-CB 3.76Å; W337-L550 HydrophobicContact CZ3-CD1 3.4Å; W337-L550 HydrophobicContact CZ3-CG 4.23Å; W337-L551 HydrophobicContact CB-CB 4.09Å; W337-L551 HydrophobicContact CB-CD1 3.64Å; W337-L551 HydrophobicContact CB-CG 4.47Å; W337-Y554 AromaticContact CD1-CG 3.89Å |
| 338 | S | 93.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.5 | -37.4 | 176.4 | 74.4 | 0 | 0 | 0 | 0 | 113.1 | I334 F335 L336 V341 M342 Y492 | I334-S338 WeakPolarHBondContact O-CB 3.34Å; I334-S338 PolarHBondContact O-N 3.4Å; I334-S338 PolarHBondContact O-OG 3.43Å; F335-S338 WeakPolarHBondContact CA-OG 3.37Å; F335-S338 WeakPolarHBondContact O-CA 3.29Å; F335-S338 WeakPolarHBondContact O-CB 3.41Å; F335-S338 PolarHBondContact O-N 3.18Å; F335-S338 PolarHBondContact O-OG 3.21Å; L336-S338 PolarHBondContact O-N 2.87Å; S338-V341 PolarHBondContact O-N 2.7Å; S338-M342 WeakPolarHBondContact O-CB 3.45Å; S338-M342 PolarHBondContact O-N 2.75Å; S338-Y492 WeakPolarHBondContact OG-CE1 3.3Å; S338-Y492 PolarHBondContact OG-OH 3.47Å |
| 339 | V | 94.3 | Very high | 92.9 | Very high | 13 Ų | 13 | 24.3 Ų | 24.3 | 8% | 0.079 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -65.1 | -44.4 | 175.8 | 171.8 | 0 | 0 | 0 | 0 | 110.7 | F335 L336 W337 M342 A343 Q508 I511 | F335-V339 HydrophobicContact CD1-CG2 3.94Å; F335-V339 HydrophobicContact CD2-CG2 4.37Å; F335-V339 HydrophobicContact CE1-CG2 3.53Å; F335-V339 HydrophobicContact CE2-CG2 3.96Å; F335-V339 HydrophobicContact CG-CG2 4.37Å; F335-V339 HydrophobicContact CZ-CG2 3.53Å; F335-V339 WeakPolarHBondContact O-CG2 3.38Å; F335-V339 PolarHBondContact O-N 3.16Å; L336-V339 PolarHBondContact O-N 2.99Å; W337-V339 VanDerWaalsContact C-N 3.3Å; W337-V339 PolarHBondContact O-N 3.15Å; V339-M342 PolarHBondContact O-N 2.82Å; V339-A343 VanDerWaalsContact O-CB 3.24Å; V339-A343 WeakPolarHBondContact O-CB 3.17Å; V339-A343 PolarHBondContact O-N 3.21Å; V339-Q508 HydrophobicContact CG2-CB 4.24Å; V339-Q508 HydrophobicContact CG2-CG 4.14Å; V339-I511 HydrophobicContact CG1-CB 3.97Å; V339-I511 HydrophobicContact CG1-CD1 4.07Å; V339-I511 HydrophobicContact CG1-CG2 3.54Å |
| 340 | V | 94.7 | Very high | 93.3 | Very high | 55 Ų | 55 | 24.2 Ų | 24.2 | 33% | 0.333 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -61.1 | -47.9 | 177.1 | 172.4 | 0 | 0 | 0 | 0 | 111 | L336 W337 M342 A343 I344 V547 | L336-V340 WeakPolarHBondContact O-CG2 3.42Å; L336-V340 PolarHBondContact O-N 3.47Å; L336-V340 VanDerWaalsContact O-N 3.07Å; W337-V340 PolarHBondContact O-N 3.09Å; V340-M342 PolarHBondContact O-N 2.63Å; V340-A343 PolarHBondContact O-N 3.01Å; V340-I344 HydrophobicContact CG1-CD1 3.8Å; V340-I344 WeakPolarHBondContact O-CG1 3.04Å; V340-I344 PolarHBondContact O-N 3Å; V340-I344 VanDerWaalsContact O-N 3.07Å; V340-V547 HydrophobicContact CG1-CG1 3.93Å |
| 341 | V | 94.3 | Very high | 93.8 | Very high | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -44.7 | 178.8 | 178.2 | 0 | 0 | 0 | 0 | 111.3 | W337 S338 T345 I484 L551 | W337-V341 WeakPolarHBondContact O-CG2 3.29Å; W337-V341 PolarHBondContact O-N 2.82Å; S338-V341 PolarHBondContact O-N 2.7Å; V341-T345 VanDerWaalsContact O-CB 3.28Å; V341-T345 WeakPolarHBondContact O-CB 3.17Å; V341-T345 PolarHBondContact O-N 3.13Å; V341-T345 PolarHBondContact O-OG1 2.96Å; V341-I484 HydrophobicContact CG1-CD1 4.12Å; V341-L551 HydrophobicContact CB-CD2 4.47Å; V341-L551 HydrophobicContact CG2-CB 3.65Å; V341-L551 HydrophobicContact CG2-CD2 4.16Å |
| 342 | M | 93.5 | Very high | 94.1 | Very high | 2 Ų | 2 | 18.9 Ų | 18.9 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 177.3 | -178 | 61.9 | 80.2 | 0 | 0 | 111.2 | S338 V339 V340 I344 T345 Q346 I484 C488 Q508 S512 | S338-M342 WeakPolarHBondContact O-CB 3.45Å; S338-M342 PolarHBondContact O-N 2.75Å; V339-M342 PolarHBondContact O-N 2.82Å; V340-M342 PolarHBondContact O-N 2.63Å; M342-I344 PolarHBondContact O-N 3.47Å; M342-T345 PolarHBondContact O-N 3.2Å; M342-Q346 WeakPolarHBondContact O-CB 3.27Å; M342-Q346 PolarHBondContact O-N 3.24Å; M342-I484 HydrophobicContact CE-CG1 3.86Å; M342-I484 HydrophobicContact CE-CG2 4.36Å; M342-I484 HydrophobicContact SD-CG1 3.83Å; M342-I484 HydrophobicContact SD-CG2 4.16Å; M342-C488 HydrophobicContact CE-CB 3.99Å; M342-C488 VanDerWaalsContact CE-SG 3.58Å; M342-Q508 HydrophobicContact CB-CG 3.94Å; M342-Q508 VanDerWaalsContact CE-NE2 3.33Å; M342-Q508 HydrophobicContact CG-CG 3.97Å; M342-S512 WeakPolarHBondContact CG-OG 3.46Å |
| 343 | A | 95.3 | Very high | 94.2 | Very high | 7 Ų | 7 | 18 Ų | 18 | 6% | 0.058 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -59.9 | -47.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.3 | V339 V340 L347 F515 | V339-A343 VanDerWaalsContact O-CB 3.24Å; V339-A343 WeakPolarHBondContact O-CB 3.17Å; V339-A343 PolarHBondContact O-N 3.21Å; V340-A343 PolarHBondContact O-N 3.01Å; A343-L347 WeakPolarHBondContact O-CB 3.2Å; A343-L347 PolarHBondContact O-N 3.13Å; A343-F515 HydrophobicContact CB-CB 3.92Å; A343-F515 HydrophobicContact CB-CD1 3.81Å; A343-F515 HydrophobicContact CB-CG 3.94Å; A343-F515 WeakPolarHBondContact O-CD1 3.38Å |
| 344 | I | 94.6 | Very high | 94.3 | Very high | 18 Ų | 18 | 15.5 Ų | 15.5 | 9% | 0.092 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -64.4 | -47.2 | 178.4 | -66.5 | 170.8 | 0 | 0 | 0 | 111 | V340 M342 Q346 L347 R348 F515 F544 V547 | V340-I344 HydrophobicContact CG1-CD1 3.8Å; V340-I344 WeakPolarHBondContact O-CG1 3.04Å; V340-I344 PolarHBondContact O-N 3Å; V340-I344 VanDerWaalsContact O-N 3.07Å; M342-I344 PolarHBondContact O-N 3.47Å; I344-Q346 PolarHBondContact O-N 3.26Å; I344-L347 PolarHBondContact O-N 3.13Å; I344-R348 PolarHBondContact O-N 3.2Å; I344-R348 VanDerWaalsContact O-N 3.13Å; I344-F515 HydrophobicContact CG1-CE1 4.37Å; I344-F544 HydrophobicContact CG2-CB 3.98Å; I344-V547 HydrophobicContact CD1-CB 3.84Å; I344-V547 HydrophobicContact CD1-CG1 3.93Å; I344-V547 HydrophobicContact CD1-CG2 4.4Å |
| 345 | T | 95.1 | Very high | 94.4 | Very high | 2 Ų | 2 | 15.4 Ų | 15.4 | 1% | 0.012 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -61.9 | -46.3 | 179.7 | -55.5 | 0 | 0 | 0 | 0 | 110.6 | V341 M342 R348 L349 L455 V480 I484 | V341-T345 VanDerWaalsContact O-CB 3.28Å; V341-T345 WeakPolarHBondContact O-CB 3.17Å; V341-T345 PolarHBondContact O-N 3.13Å; V341-T345 PolarHBondContact O-OG1 2.96Å; M342-T345 PolarHBondContact O-N 3.2Å; T345-R348 PolarHBondContact O-N 3.03Å; T345-L349 HydrophobicContact CG2-CD1 3.94Å; T345-L349 HydrophobicContact CG2-CG 4.38Å; T345-L349 VanDerWaalsContact O-CG 3.28Å; T345-L349 WeakPolarHBondContact O-CG 3.14Å; T345-L349 PolarHBondContact O-N 3.23Å; T345-L455 HydrophobicContact CG2-CD1 4.22Å; T345-L455 HydrophobicContact CG2-CD2 4.1Å; T345-V480 HydrophobicContact CG2-CG1 3.95Å; T345-I484 HydrophobicContact CG2-CB 4.27Å; T345-I484 HydrophobicContact CG2-CG1 4.07Å; T345-I484 HydrophobicContact CG2-CG2 4.27Å |
| 346 | Q | 94 | Very high | 94.4 | Very high | 13 Ų | 13 | 15.3 Ų | 15.3 | 6% | 0.061 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -63.8 | -45 | -179.1 | -168.7 | 69.8 | 7.6 | 0 | 0 | 111.7 | M342 I344 R348 L349 I350 | M342-Q346 WeakPolarHBondContact O-CB 3.27Å; M342-Q346 PolarHBondContact O-N 3.24Å; I344-Q346 PolarHBondContact O-N 3.26Å; Q346-R348 VanDerWaalsContact C-N 3.31Å; Q346-R348 PolarHBondContact O-N 3.26Å; Q346-L349 PolarHBondContact O-N 2.94Å; Q346-I350 HydrophobicContact CG-CD1 3.75Å; Q346-I350 HydrophobicContact CG-CG1 4.38Å; Q346-I350 WeakPolarHBondContact O-CB 3.3Å; Q346-I350 VanDerWaalsContact O-CG1 3.32Å; Q346-I350 WeakPolarHBondContact O-CG1 3.32Å; Q346-I350 PolarHBondContact O-N 3.36Å |
| 347 | L | 95.6 | Very high | 94.4 | Very high | 9 Ų | 9 | 11.4 Ų | 11.4 | 5% | 0.047 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -56.5 | -47 | 175.8 | 173.7 | 62.3 | 0 | 0 | 0 | 110.8 | A343 I344 I350 F351 F515 L518 Q519 L522 L541 | A343-L347 WeakPolarHBondContact O-CB 3.2Å; A343-L347 PolarHBondContact O-N 3.13Å; I344-L347 PolarHBondContact O-N 3.13Å; L347-I350 PolarHBondContact O-N 3.43Å; L347-F351 VanDerWaalsContact O-CB 3.25Å; L347-F351 WeakPolarHBondContact O-CB 3.35Å; L347-F351 PolarHBondContact O-N 2.99Å; L347-F515 HydrophobicContact CB-CD1 3.95Å; L347-F515 HydrophobicContact CB-CE1 4.16Å; L347-F515 HydrophobicContact CD2-CD1 3.9Å; L347-F515 HydrophobicContact CD2-CE1 3.48Å; L347-F515 VanDerWaalsContact CD2-CE1 3.48Å; L347-F515 HydrophobicContact CD2-CZ 4.26Å; L347-F515 HydrophobicContact CG-CE1 4.46Å; L347-L518 HydrophobicContact CD1-CB 3.9Å; L347-L518 HydrophobicContact CD2-CB 4.12Å; L347-L518 HydrophobicContact CD2-CD1 4.33Å; L347-Q519 HydrophobicContact CD1-CB 4.06Å; L347-L522 HydrophobicContact CD1-CD1 4.23Å; L347-L522 HydrophobicContact CD2-CD1 4.25Å; L347-L522 HydrophobicContact CG-CD1 4.42Å; L347-L541 HydrophobicContact CD2-CD2 4.31Å; L347-L541 HydrophobicContact CG-CD2 4.41Å |
| 348 | R | 96.1 | Very high | 94.3 | Very high | 2 Ų | 2 | 8.6 Ų | 8.6 | 1% | 0.008 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.2 | -46.7 | 179.4 | -169.4 | -173.5 | -168.3 | 146.3 | 20.5 | 112.2 | I344 T345 Q346 F352 L455 F458 L541 S545 | I344-R348 PolarHBondContact O-N 3.2Å; I344-R348 VanDerWaalsContact O-N 3.13Å; T345-R348 PolarHBondContact O-N 3.03Å; Q346-R348 VanDerWaalsContact C-N 3.31Å; Q346-R348 PolarHBondContact O-N 3.26Å; R348-F352 WeakPolarHBondContact O-CB 3.41Å; R348-F352 PolarHBondContact O-N 2.87Å; R348-L455 PolarHBondContact NH1-O 3.39Å; R348-F458 HydrophobicContact CG-CE1 4.04Å; R348-L541 HydrophobicContact CG-CB 4.22Å; R348-L541 HydrophobicContact CG-CD1 4.3Å; R348-S545 PolarHBondContact NH1-OG 3.18Å |
| 349 | L | 94.9 | Very high | 94.2 | Very high | 1 Ų | 1 | 9.3 Ų | 9.3 | 1% | 0.005 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | -179.2 | -67.6 | 173.1 | 0 | 0 | 0 | 111.7 | T345 Q346 M353 H477 V480 R481 | T345-L349 HydrophobicContact CG2-CD1 3.94Å; T345-L349 HydrophobicContact CG2-CG 4.38Å; T345-L349 VanDerWaalsContact O-CG 3.28Å; T345-L349 WeakPolarHBondContact O-CG 3.14Å; T345-L349 PolarHBondContact O-N 3.23Å; Q346-L349 PolarHBondContact O-N 2.94Å; L349-M353 HydrophobicContact CB-CE 4.43Å; L349-M353 VanDerWaalsContact O-CE 3.27Å; L349-M353 WeakPolarHBondContact O-CE 3.46Å; L349-M353 WeakPolarHBondContact O-CG 3.48Å; L349-M353 PolarHBondContact O-N 2.88Å; L349-M353 VanDerWaalsContact O-N 3.17Å; L349-H477 WeakPolarHBondContact CD2-CD2 3.13Å; L349-H477 PolarHBondContact O-NE2 2.85Å; L349-V480 HydrophobicContact CD1-CG1 4.5Å; L349-V480 HydrophobicContact CD2-CG1 4.43Å; L349-R481 HydrophobicContact CD1-CB 3.84Å; L349-R481 HydrophobicContact CD1-CG 4.24Å; L349-R481 HydrophobicContact CD2-CB 4.49Å |
| 350 | I | 94.6 | Very high | 94.2 | Very high | 4 Ų | 4 | 8.9 Ų | 8.9 | 2% | 0.021 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -70 | -44.2 | 178.5 | -67.4 | 175.8 | 0 | 0 | 0 | 111 | F125 Q346 L347 F352 M353 G354 A516 Q519 | F125-I350 HydrophobicContact CE1-CG2 3.77Å; F125-I350 HydrophobicContact CZ-CG2 4.07Å; Q346-I350 HydrophobicContact CG-CD1 3.75Å; Q346-I350 HydrophobicContact CG-CG1 4.38Å; Q346-I350 WeakPolarHBondContact O-CB 3.3Å; Q346-I350 VanDerWaalsContact O-CG1 3.32Å; Q346-I350 WeakPolarHBondContact O-CG1 3.32Å; Q346-I350 PolarHBondContact O-N 3.36Å; L347-I350 PolarHBondContact O-N 3.43Å; I350-F352 VanDerWaalsContact C-N 3.3Å; I350-F352 PolarHBondContact O-N 3.46Å; I350-M353 HydrophobicContact CG1-CE 4.19Å; I350-M353 PolarHBondContact O-N 3.37Å; I350-M353 VanDerWaalsContact O-N 3.16Å; I350-G354 PolarHBondContact O-N 3.27Å; I350-A516 HydrophobicContact CD1-CB 3.67Å; I350-Q519 HydrophobicContact CG2-CB 4.29Å; I350-Q519 HydrophobicContact CG2-CG 4.07Å |
| 351 | F | 96 | Very high | 94.1 | Very high | 2 Ų | 2 | 9 Ų | 9 | 1% | 0.009 | 5% | 0.046 | C | C | . | . | H | α-helix | trans | -56.1 | -46.9 | 174.2 | 174.4 | -97.8 | 0 | 0 | 0 | 111.4 | L347 M353 G354 A355 Q519 L522 M526 I537 L541 | L347-F351 VanDerWaalsContact O-CB 3.25Å; L347-F351 WeakPolarHBondContact O-CB 3.35Å; L347-F351 PolarHBondContact O-N 2.99Å; F351-M353 VanDerWaalsContact C-N 3.34Å; F351-M353 PolarHBondContact O-N 3.44Å; F351-G354 PolarHBondContact O-N 3.48Å; F351-A355 HydrophobicContact CE1-CB 4.2Å; F351-A355 HydrophobicContact CE2-CB 4.14Å; F351-A355 HydrophobicContact CZ-CB 3.93Å; F351-A355 VanDerWaalsContact O-CB 3.28Å; F351-A355 WeakPolarHBondContact O-CB 3.31Å; F351-A355 PolarHBondContact O-N 3.34Å; F351-Q519 HydrophobicContact CB-CG 4.1Å; F351-Q519 HydrophobicContact CD2-CG 4.29Å; F351-L522 HydrophobicContact CD2-CB 3.8Å; F351-L522 HydrophobicContact CD2-CD1 4.47Å; F351-L522 HydrophobicContact CE2-CB 3.79Å; F351-M526 HydrophobicContact CZ-SD 3.85Å; F351-I537 HydrophobicContact CD1-CG2 4.39Å; F351-I537 HydrophobicContact CE1-CG2 3.66Å; F351-I537 HydrophobicContact CE2-CG2 4.13Å; F351-I537 HydrophobicContact CZ-CB 4.39Å; F351-I537 HydrophobicContact CZ-CD1 4.42Å; F351-I537 HydrophobicContact CZ-CG2 3.52Å; F351-L541 HydrophobicContact CB-CD1 4.39Å; F351-L541 HydrophobicContact CD1-CD1 3.54Å; F351-L541 HydrophobicContact CE1-CD1 4.09Å; F351-L541 HydrophobicContact CG-CD1 4.07Å |
| 352 | F | 95.1 | Very high | 94 | Very high | 6 Ų | 6 | 11 Ų | 11 | 3% | 0.026 | 5% | 0.054 | C | C | . | . | H | α-helix | trans | -57.3 | -46.5 | 176.7 | -171.4 | -91.9 | 0 | 0 | 0 | 111.8 | R348 I350 G354 A355 M356 M359 F390 F458 F474 H477 | R348-F352 WeakPolarHBondContact O-CB 3.41Å; R348-F352 PolarHBondContact O-N 2.87Å; I350-F352 VanDerWaalsContact C-N 3.3Å; I350-F352 PolarHBondContact O-N 3.46Å; F352-G354 PolarHBondContact O-N 3.43Å; F352-A355 PolarHBondContact O-N 3.45Å; F352-M356 HydrophobicContact CE1-CG 4.2Å; F352-M356 HydrophobicContact CE1-SD 4.34Å; F352-M356 WeakPolarHBondContact O-CA 3.41Å; F352-M356 VanDerWaalsContact O-CB 3.24Å; F352-M356 WeakPolarHBondContact O-CB 3.44Å; F352-M356 PolarHBondContact O-N 3.09Å; F352-M359 HydrophobicContact CD2-CE 3.45Å; F352-M359 VanDerWaalsContact CD2-CE 3.45Å; F352-M359 HydrophobicContact CD2-SD 4.49Å; F352-M359 HydrophobicContact CE2-CE 3.67Å; F352-M359 HydrophobicContact CG-CE 4.03Å; F352-M359 HydrophobicContact CZ-CE 4.42Å; F352-F390 HydrophobicContact CD1-CE2 4.24Å; F352-F390 HydrophobicContact CD1-CZ 4.41Å; F352-F390 HydrophobicContact CE1-CD2 4.31Å; F352-F390 AromaticContact CE1-CE2 3.88Å; F352-F390 HydrophobicContact CE1-CE2 3.88Å; F352-F390 HydrophobicContact CE1-CZ 4.43Å; F352-F458 HydrophobicContact CB-CZ 4.09Å; F352-F458 HydrophobicContact CD1-CZ 4.33Å; F352-F458 AromaticContact CD2-CE2 3.89Å; F352-F458 HydrophobicContact CD2-CE2 3.89Å; F352-F458 AromaticContact CD2-CZ 3.52Å; F352-F458 HydrophobicContact CD2-CZ 3.52Å; F352-F458 HydrophobicContact CE1-CE2 4.49Å; F352-F458 AromaticContact CE2-CE2 3.84Å; F352-F458 HydrophobicContact CE2-CE2 3.84Å; F352-F458 AromaticContact CE2-CZ 3.98Å; F352-F458 HydrophobicContact CE2-CZ 3.98Å; F352-F458 HydrophobicContact CG-CE2 4.24Å; F352-F458 AromaticContact CG-CZ 3.72Å; F352-F458 HydrophobicContact CG-CZ 3.72Å; F352-F458 HydrophobicContact CZ-CE2 4.15Å; F352-F474 AromaticContact CE1-CD1 3.88Å; F352-F474 HydrophobicContact CE1-CD1 3.88Å; F352-F474 HydrophobicContact CE1-CE1 4.1Å; F352-F474 AromaticContact CZ-CD1 3.73Å; F352-F474 HydrophobicContact CZ-CD1 3.73Å; F352-F474 AromaticContact CZ-CE1 3.74Å; F352-F474 HydrophobicContact CZ-CE1 3.74Å; F352-H477 AromaticContact CD1-CD2 3.56Å; F352-H477 AromaticContact CD1-NE2 3.97Å; F352-H477 AromaticContact CG-CD2 3.97Å |
| 353 | M | 92.9 | Very high | 93.9 | Very high | 4 Ų | 4 | 12.2 Ų | 12.2 | 2% | 0.02 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63 | -38.7 | 178.6 | -74.8 | -178.9 | -78.1 | 0 | 0 | 113.4 | L74 F125 L349 I350 F351 F390 | L74-M353 HydrophobicContact CB-SD 3.9Å; L74-M353 HydrophobicContact CD2-CE 3.85Å; L74-M353 HydrophobicContact CD2-SD 4.11Å; F125-M353 HydrophobicContact CE1-CB 4.43Å; F125-M353 HydrophobicContact CZ-CB 4Å; L349-M353 HydrophobicContact CB-CE 4.43Å; L349-M353 VanDerWaalsContact O-CE 3.27Å; L349-M353 WeakPolarHBondContact O-CE 3.46Å; L349-M353 WeakPolarHBondContact O-CG 3.48Å; L349-M353 PolarHBondContact O-N 2.88Å; L349-M353 VanDerWaalsContact O-N 3.17Å; I350-M353 HydrophobicContact CG1-CE 4.19Å; I350-M353 PolarHBondContact O-N 3.37Å; I350-M353 VanDerWaalsContact O-N 3.16Å; F351-M353 VanDerWaalsContact C-N 3.34Å; F351-M353 PolarHBondContact O-N 3.44Å; M353-F390 HydrophobicContact CG-CE1 4.11Å; M353-F390 HydrophobicContact CG-CZ 3.87Å |
| 354 | G | 92.7 | Very high | 93.8 | Very high | 3 Ų | 3 | 12.9 Ų | 12.9 | 3% | 0.031 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -73.5 | -37.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N122 I350 F351 F352 | N122-G354 PolarHBondContact OD1-O 3.46Å; I350-G354 PolarHBondContact O-N 3.27Å; F351-G354 PolarHBondContact O-N 3.48Å; F352-G354 PolarHBondContact O-N 3.43Å |
| 355 | A | 93.8 | Very high | 93.6 | Very high | 2 Ų | 2 | 12.9 Ų | 12.9 | 2% | 0.017 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -92.7 | -10.5 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | F351 F352 N357 K358 M359 F523 M526 | F351-A355 HydrophobicContact CE1-CB 4.2Å; F351-A355 HydrophobicContact CE2-CB 4.14Å; F351-A355 HydrophobicContact CZ-CB 3.93Å; F351-A355 VanDerWaalsContact O-CB 3.28Å; F351-A355 WeakPolarHBondContact O-CB 3.31Å; F351-A355 PolarHBondContact O-N 3.34Å; F352-A355 PolarHBondContact O-N 3.45Å; A355-N357 PolarHBondContact O-N 3.35Å; A355-K358 PolarHBondContact O-N 2.95Å; A355-M359 HydrophobicContact CB-CE 4.09Å; A355-M359 HydrophobicContact CB-CG 4.27Å; A355-M359 HydrophobicContact CB-SD 4.41Å; A355-M359 WeakPolarHBondContact O-CG 3.5Å; A355-M359 PolarHBondContact O-N 2.99Å; A355-F523 HydrophobicContact CB-CD2 4.04Å; A355-F523 HydrophobicContact CB-CE2 4.32Å; A355-M526 HydrophobicContact CB-CE 3.88Å; A355-M526 HydrophobicContact CB-SD 3.97Å |
| 356 | M | 92.7 | Very high | 93.3 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -52.9 | -47.8 | -167.5 | -169.3 | -170.9 | 76.3 | 0 | 0 | 113.9 | A77 F352 K358 M359 I360 F390 F474 | A77-M356 HydrophobicContact CB-CE 3.24Å; A77-M356 HydrophobicContact CB-SD 4.45Å; F352-M356 HydrophobicContact CE1-CG 4.2Å; F352-M356 HydrophobicContact CE1-SD 4.34Å; F352-M356 WeakPolarHBondContact O-CA 3.41Å; F352-M356 VanDerWaalsContact O-CB 3.24Å; F352-M356 WeakPolarHBondContact O-CB 3.44Å; F352-M356 PolarHBondContact O-N 3.09Å; M356-K358 VanDerWaalsContact C-N 3.29Å; M356-K358 PolarHBondContact O-N 3.37Å; M356-M359 HydrophobicContact CB-CE 4.43Å; M356-M359 PolarHBondContact O-N 2.87Å; M356-I360 HydrophobicContact CE-CD1 4.19Å; M356-I360 HydrophobicContact CG-CD1 3.82Å; M356-I360 WeakPolarHBondContact O-CG1 3.38Å; M356-I360 PolarHBondContact O-N 3.21Å; M356-I360 HydrophobicContact SD-CD1 4.45Å; M356-F390 HydrophobicContact CE-CB 4.06Å; M356-F390 HydrophobicContact CE-CD1 4Å; M356-F390 HydrophobicContact CE-CG 4.19Å; M356-F390 HydrophobicContact SD-CB 3.62Å; M356-F390 HydrophobicContact SD-CD1 3.45Å; M356-F390 WeakPolarHBondContact SD-CD1 3.24Å; M356-F390 HydrophobicContact SD-CD2 3.87Å; M356-F390 HydrophobicContact SD-CE1 4.03Å; M356-F390 HydrophobicContact SD-CE2 4.41Å; M356-F390 HydrophobicContact SD-CG 3.35Å; M356-F390 WeakPolarHBondContact SD-CG 3.36Å; M356-F390 HydrophobicContact SD-CZ 4.47Å; M356-F474 HydrophobicContact CG-CE1 4.35Å; M356-F474 HydrophobicContact SD-CE1 4.16Å; M356-F474 HydrophobicContact SD-CZ 4.32Å |
| 357 | N | 93.4 | Very high | 92.7 | Very high | 12 Ų | 12 | 19.5 Ų | 19.5 | 6% | 0.064 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | -178.9 | -70.1 | -7.5 | 0 | 0 | 0 | 111.1 | A77 A355 I360 E361 V383 | A77-N357 PolarHBondContact O-ND2 2.88Å; A355-N357 PolarHBondContact O-N 3.35Å; N357-I360 PolarHBondContact O-N 3.02Å; N357-E361 WeakPolarHBondContact O-CB 3.49Å; N357-E361 PolarHBondContact O-N 3.25Å; N357-V383 HydrophobicContact CB-CG1 3.89Å |
| 358 | K | 91.9 | Very high | 92.1 | Very high | 24 Ų | 24 | 22.4 Ų | 22.4 | 10% | 0.104 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -70.6 | -35.8 | 177.1 | -81.1 | -74 | 168.1 | -165.1 | 0 | 113.4 | E118 A355 M356 I360 E361 F362 F523 M526 | E118-K358 WeakPolarHBondContact OE1-CE 3.31Å; E118-K358 IonicContact OE1-NZ 2.71Å; E118-K358 WeakPolarHBondContact OE2-CE 3.44Å; E118-K358 WeakPolarHBondContact OE2-CG 3.45Å; A355-K358 PolarHBondContact O-N 2.95Å; M356-K358 VanDerWaalsContact C-N 3.29Å; M356-K358 PolarHBondContact O-N 3.37Å; K358-I360 VanDerWaalsContact C-N 3.35Å; K358-E361 WeakPolarHBondContact CD-OE2 3.41Å; K358-E361 WeakPolarHBondContact CE-OE2 3.29Å; K358-E361 IonicContact NZ-OE1 3.63Å; K358-E361 PolarHBondContact NZ-OE1 2.94Å; K358-E361 IonicContact NZ-OE2 2.77Å; K358-E361 PolarHBondContact NZ-OE2 3.06Å; K358-E361 WeakPolarHBondContact O-CB 3.43Å; K358-E361 PolarHBondContact O-N 3.05Å; K358-F362 WeakPolarHBondContact O-CB 3.27Å; K358-F362 PolarHBondContact O-N 3.44Å; K358-F523 HydrophobicContact CG-CE2 4.39Å; K358-F523 HydrophobicContact CG-CZ 4.29Å; K358-M526 HydrophobicContact CB-CE 3.77Å |
| 359 | M | 93.1 | Very high | 91.1 | Very high | 14 Ų | 14 | 27.6 Ų | 27.6 | 7% | 0.069 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.9 | -42.2 | 174 | -68.4 | -170.8 | -68.6 | 0 | 0 | 111.3 | F352 A355 M356 F362 L363 M526 P534 | F352-M359 HydrophobicContact CD2-CE 3.45Å; F352-M359 VanDerWaalsContact CD2-CE 3.45Å; F352-M359 HydrophobicContact CD2-SD 4.49Å; F352-M359 HydrophobicContact CE2-CE 3.67Å; F352-M359 HydrophobicContact CG-CE 4.03Å; F352-M359 HydrophobicContact CZ-CE 4.42Å; A355-M359 HydrophobicContact CB-CE 4.09Å; A355-M359 HydrophobicContact CB-CG 4.27Å; A355-M359 HydrophobicContact CB-SD 4.41Å; A355-M359 WeakPolarHBondContact O-CG 3.5Å; A355-M359 PolarHBondContact O-N 2.99Å; M356-M359 HydrophobicContact CB-CE 4.43Å; M356-M359 PolarHBondContact O-N 2.87Å; M359-F362 PolarHBondContact O-N 3.38Å; M359-L363 VanDerWaalsContact O-CG 3.32Å; M359-L363 WeakPolarHBondContact O-CG 3.43Å; M359-L363 PolarHBondContact O-N 3.33Å; M359-L363 VanDerWaalsContact O-N 3.08Å; M359-M526 HydrophobicContact CG-SD 4.24Å; M359-P534 HydrophobicContact CB-CG 4.4Å; M359-P534 HydrophobicContact CG-CB 3.68Å; M359-P534 HydrophobicContact CG-CG 3.97Å; M359-P534 HydrophobicContact SD-CB 3.89Å; M359-P534 HydrophobicContact SD-CG 4.45Å |
| 360 | I | 93.8 | Very high | 90.3 | Very high | 4 Ų | 4 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -67.2 | -42.4 | 175.5 | -65.6 | 158.6 | 0 | 0 | 0 | 110.6 | M356 N357 K358 F362 L363 V364 V383 L467 F474 | M356-I360 HydrophobicContact CE-CD1 4.19Å; M356-I360 HydrophobicContact CG-CD1 3.82Å; M356-I360 WeakPolarHBondContact O-CG1 3.38Å; M356-I360 PolarHBondContact O-N 3.21Å; M356-I360 HydrophobicContact SD-CD1 4.45Å; N357-I360 PolarHBondContact O-N 3.02Å; K358-I360 VanDerWaalsContact C-N 3.35Å; I360-F362 VanDerWaalsContact C-N 3.31Å; I360-F362 PolarHBondContact O-N 3.24Å; I360-L363 PolarHBondContact O-N 3.42Å; I360-V364 WeakPolarHBondContact O-CG2 3.5Å; I360-V364 PolarHBondContact O-N 3.24Å; I360-V383 HydrophobicContact CB-CG2 4.13Å; I360-V383 HydrophobicContact CG2-CB 4.42Å; I360-V383 HydrophobicContact CG2-CG2 3.73Å; I360-L467 HydrophobicContact CG2-CD1 3.84Å; I360-F474 HydrophobicContact CD1-CZ 4.15Å |
| 361 | E | 92.4 | Very high | 89.7 | Confident | 58 Ų | 58 | 36.2 Ų | 36.2 | 27% | 0.271 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -54.4 | -48.9 | 174.9 | -173.2 | -177.7 | 145.1 | 0 | 0 | 110.9 | N357 K358 L363 V364 T365 T379 V383 | N357-E361 WeakPolarHBondContact O-CB 3.49Å; N357-E361 PolarHBondContact O-N 3.25Å; K358-E361 WeakPolarHBondContact CD-OE2 3.41Å; K358-E361 WeakPolarHBondContact CE-OE2 3.29Å; K358-E361 IonicContact NZ-OE1 3.63Å; K358-E361 PolarHBondContact NZ-OE1 2.94Å; K358-E361 IonicContact NZ-OE2 2.77Å; K358-E361 PolarHBondContact NZ-OE2 3.06Å; K358-E361 WeakPolarHBondContact O-CB 3.43Å; K358-E361 PolarHBondContact O-N 3.05Å; E361-L363 PolarHBondContact O-N 3.4Å; E361-V364 PolarHBondContact O-N 3.49Å; E361-T365 PolarHBondContact O-N 2.87Å; E361-T365 PolarHBondContact O-OG1 2.82Å; E361-T379 HydrophobicContact CB-CG2 4.15Å; E361-T379 HydrophobicContact CG-CG2 3.68Å; E361-V383 HydrophobicContact CB-CG2 4.28Å |
| 362 | F | 92.4 | Very high | 89.2 | Confident | 43 Ų | 43 | 39 Ų | 39 | 19% | 0.189 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -62.5 | -39.3 | 177.4 | -174.7 | -91.2 | 0 | 0 | 0 | 113 | K358 M359 I360 V364 H366 G532 D533 | K358-F362 WeakPolarHBondContact O-CB 3.27Å; K358-F362 PolarHBondContact O-N 3.44Å; M359-F362 PolarHBondContact O-N 3.38Å; I360-F362 VanDerWaalsContact C-N 3.31Å; I360-F362 PolarHBondContact O-N 3.24Å; F362-V364 PolarHBondContact O-N 3.15Å; F362-H366 WeakPolarHBondContact O-CA 3.23Å; F362-H366 PolarHBondContact O-N 3.06Å; F362-G532 VanDerWaalsContact CD2-C 3.5Å; F362-G532 WeakPolarHBondContact CD2-O 3.36Å; F362-D533 HydrophobicContact CE1-CB 4.19Å; F362-D533 HydrophobicContact CE2-CB 3.89Å; F362-D533 HydrophobicContact CZ-CB 3.62Å |
| 363 | L | 91.9 | Very high | 88.7 | Confident | 27 Ų | 27 | 44.5 Ų | 44.5 | 14% | 0.141 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.2 | -24 | 177 | -72.4 | 171.4 | 0 | 0 | 0 | 113.3 | M359 I360 E361 H366 D465 L467 Q470 | M359-L363 VanDerWaalsContact O-CG 3.32Å; M359-L363 WeakPolarHBondContact O-CG 3.43Å; M359-L363 PolarHBondContact O-N 3.33Å; M359-L363 VanDerWaalsContact O-N 3.08Å; I360-L363 PolarHBondContact O-N 3.42Å; E361-L363 PolarHBondContact O-N 3.4Å; L363-H366 PolarHBondContact O-CE1 3.39Å; L363-H366 VanDerWaalsContact O-CE1 3.32Å; L363-D465 HydrophobicContact CD2-CB 4.48Å; L363-D465 WeakPolarHBondContact CD2-OD1 3.25Å; L363-L467 HydrophobicContact CB-CD1 4.27Å; L363-L467 HydrophobicContact CD1-CD1 4.13Å; L363-Q470 HydrophobicContact CD1-CG 3.8Å |
| 364 | V | 92.9 | Very high | 88.5 | Confident | 21 Ų | 21 | 50.9 Ų | 50.9 | 13% | 0.127 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -89 | -49.2 | 176.6 | 179.9 | 0 | 0 | 0 | 0 | 110.2 | I360 E361 F362 H366 L375 T379 Q382 L467 | I360-V364 WeakPolarHBondContact O-CG2 3.5Å; I360-V364 PolarHBondContact O-N 3.24Å; E361-V364 PolarHBondContact O-N 3.49Å; F362-V364 PolarHBondContact O-N 3.15Å; V364-H366 PolarHBondContact O-ND1 2.96Å; V364-L375 HydrophobicContact CG1-CD1 4.16Å; V364-T379 HydrophobicContact CB-CG2 4.31Å; V364-T379 HydrophobicContact CG1-CG2 4.5Å; V364-T379 WeakPolarHBondContact CG1-OG1 3.49Å; V364-Q382 HydrophobicContact CG2-CB 3.99Å; V364-Q382 HydrophobicContact CG2-CG 4.2Å; V364-L467 HydrophobicContact CG2-CD2 4.06Å |
| 365 | T | 90.8 | Very high | 88.3 | Confident | 19 Ų | 19 | 52.7 Ų | 52.7 | 12% | 0.117 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -82.5 | -15.9 | -174.5 | 63.1 | 0 | 0 | 0 | 0 | 114 | E361 G367 D368 T379 | E361-T365 PolarHBondContact O-N 2.87Å; E361-T365 PolarHBondContact O-OG1 2.82Å; T365-G367 PolarHBondContact O-N 3.37Å; T365-G367 VanDerWaalsContact O-N 3.14Å; T365-G367 PolarHBondContact OG1-N 3.16Å; T365-D368 WeakPolarHBondContact O-CB 3.3Å; T365-D368 PolarHBondContact O-N 2.83Å; T365-T379 HydrophobicContact CG2-CG2 3.99Å; T365-T379 WeakPolarHBondContact CG2-OG1 3.35Å |
| 366 | H | 88.1 | Confident | 88 | Confident | 120 Ų | 120 | 58.9 Ų | 58.9 | 56% | 0.556 | 32% | 0.317 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 30.1 | -171.2 | -60.4 | 70.5 | 0 | 0 | 0 | 113 | F362 L363 V364 | F362-H366 WeakPolarHBondContact O-CA 3.23Å; F362-H366 PolarHBondContact O-N 3.06Å; L363-H366 PolarHBondContact O-CE1 3.39Å; L363-H366 VanDerWaalsContact O-CE1 3.32Å; V364-H366 PolarHBondContact O-ND1 2.96Å |
| 367 | G | 82.1 | Confident | 87.8 | Confident | 33 Ų | 33 | 65.4 Ų | 65.4 | 34% | 0.34 | 35% | 0.346 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 76.9 | 17.7 | -179.7 | 0 | 0 | 0 | 0 | 0 | 115 | T365 P369 | T365-G367 PolarHBondContact O-N 3.37Å; T365-G367 VanDerWaalsContact O-N 3.14Å; T365-G367 PolarHBondContact OG1-N 3.16Å; G367-P369 WeakPolarHBondContact O-CD 3.2Å |
| 368 | D | 81.9 | Confident | 87.7 | Confident | 70 Ų | 70 | 69.6 Ų | 69.6 | 37% | 0.374 | 37% | 0.365 | S | S | . | . | trans | -59.1 | 118.4 | 172.6 | -174.8 | -5.6 | 0 | 0 | 0 | 110.7 | T365 N370 | T365-D368 WeakPolarHBondContact O-CB 3.3Å; T365-D368 PolarHBondContact O-N 2.83Å; D368-N370 VanDerWaalsContact C-N 3.31Å; D368-N370 PolarHBondContact O-N 3.27Å; D368-N370 PolarHBondContact OD1-N 3.31Å | ||
| 369 | P | 74.9 | Confident | 87.7 | Confident | 111 Ų | 111 | 69 Ų | 69 | 72% | 0.721 | 36% | 0.363 | S | S | * | . | S | Bend | trans | -73.2 | -20 | -178.7 | 29.6 | -35.7 | 0 | 0 | 0 | 113.6 | G367 | G367-P369 WeakPolarHBondContact O-CD 3.2Š|
| 370 | N | 78.4 | Confident | 87.6 | Confident | 142 Ų | 142 | 71.2 Ų | 71.2 | 76% | 0.759 | 37% | 0.374 | S | S | * | . | S | Bend | trans | -134.6 | 67.8 | -179.8 | -74.7 | -39.3 | 0 | 0 | 0 | 110.4 | D368 | D368-N370 VanDerWaalsContact C-N 3.31Å; D368-N370 PolarHBondContact O-N 3.27Å; D368-N370 PolarHBondContact OD1-N 3.31Å |
| 371 | P | 81.9 | Confident | 87.5 | Confident | 44 Ų | 44 | 75.8 Ų | 75.8 | 29% | 0.286 | 40% | 0.398 | S | S | . | . | trans | -63.1 | 146.2 | -178.5 | 27.7 | -34.4 | 0 | 0 | 0 | 110.9 | L375 | P371-L375 HydrophobicContact CB-CB 4.24Å; P371-L375 HydrophobicContact CB-CD2 3.84Å; P371-L375 HydrophobicContact CB-CG 4.12Å | ||
| 372 | S | 85.2 | Confident | 87.6 | Confident | 62 Ų | 62 | 75.6 Ų | 75.6 | 43% | 0.434 | 40% | 0.397 | S | S | . | . | trans | -59.5 | 159 | 172.6 | 75.7 | 0 | 0 | 0 | 0 | 111.2 | E374 L375 R376 | S372-E374 PolarHBondContact O-N 2.9Å; S372-E374 PolarHBondContact OG-OE2 2.98Å; S372-L375 PolarHBondContact O-N 2.87Å; S372-L375 VanDerWaalsContact O-N 3.13Å; S372-L375 PolarHBondContact OG-N 2.78Å; S372-R376 PolarHBondContact O-N 3.3Å | ||
| 373 | V | 85.9 | Confident | 87.7 | Confident | 120 Ų | 120 | 74.3 Ų | 74.3 | 73% | 0.727 | 39% | 0.392 | S | S | * | . | H | α-helix | trans | -58.3 | -38 | -180 | 179.4 | 0 | 0 | 0 | 0 | 111 | K377 | V373-K377 PolarHBondContact O-N 2.89Å; V373-K377 VanDerWaalsContact O-N 3.11Å |
| 374 | E | 88.3 | Confident | 87.7 | Confident | 138 Ų | 138 | 74.3 Ų | 74.3 | 65% | 0.645 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -64.5 | -47.2 | 175.9 | -61 | 74.4 | -159.9 | 0 | 0 | 111.8 | S372 R376 K377 E378 | S372-E374 PolarHBondContact O-N 2.9Å; S372-E374 PolarHBondContact OG-OE2 2.98Å; E374-R376 VanDerWaalsContact C-N 3.33Å; E374-R376 PolarHBondContact O-N 3.48Å; E374-K377 PolarHBondContact O-N 3.07Å; E374-E378 PolarHBondContact O-N 3.49Å |
| 375 | L | 89.4 | Confident | 87.8 | Confident | 41 Ų | 41 | 79 Ų | 79 | 22% | 0.215 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.8 | -37.4 | -179.8 | -177.1 | 61.2 | 0 | 0 | 0 | 111.5 | V364 P371 S372 E378 T379 | V364-L375 HydrophobicContact CG1-CD1 4.16Å; P371-L375 HydrophobicContact CB-CB 4.24Å; P371-L375 HydrophobicContact CB-CD2 3.84Å; P371-L375 HydrophobicContact CB-CG 4.12Å; S372-L375 PolarHBondContact O-N 2.87Å; S372-L375 VanDerWaalsContact O-N 3.13Å; S372-L375 PolarHBondContact OG-N 2.78Å; L375-E378 PolarHBondContact O-N 3.48Å; L375-T379 WeakPolarHBondContact O-CB 3.48Å; L375-T379 PolarHBondContact O-N 2.97Å; L375-T379 PolarHBondContact O-OG1 3.16Å |
| 376 | R | 86.9 | Confident | 88 | Confident | 133 Ų | 133 | 78.9 Ų | 78.9 | 50% | 0.502 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 174.4 | -177.1 | 178 | 175.7 | 168.5 | 2.8 | 111.3 | S372 E374 T379 E380 | S372-R376 PolarHBondContact O-N 3.3Å; E374-R376 VanDerWaalsContact C-N 3.33Å; E374-R376 PolarHBondContact O-N 3.48Å; R376-T379 WeakPolarHBondContact O-CB 3.47Å; R376-T379 PolarHBondContact O-N 3.22Å; R376-E380 IonicContact NE-OE1 2.77Å; R376-E380 WeakPolarHBondContact O-CG 3.37Å; R376-E380 PolarHBondContact O-N 3.4Å |
| 377 | K | 88.2 | Confident | 88.2 | Confident | 137 Ų | 137 | 73.2 Ų | 73.2 | 60% | 0.596 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -63.9 | -45.2 | 177.6 | -172.7 | 179.9 | 178.2 | -178.1 | 0 | 111.6 | V373 E374 T379 E380 D381 | V373-K377 PolarHBondContact O-N 2.89Å; V373-K377 VanDerWaalsContact O-N 3.11Å; E374-K377 PolarHBondContact O-N 3.07Å; K377-T379 VanDerWaalsContact C-N 3.29Å; K377-T379 PolarHBondContact O-N 3.17Å; K377-E380 PolarHBondContact O-N 3Å; K377-D381 PolarHBondContact O-N 3.35Å |
| 378 | E | 91.9 | Very high | 88.8 | Confident | 101 Ų | 101 | 72.8 Ų | 72.8 | 47% | 0.472 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -57.9 | -43.8 | 174.6 | -179.8 | 173.4 | -174.5 | 0 | 0 | 111.3 | E374 L375 E380 D381 Q382 | E374-E378 PolarHBondContact O-N 3.49Å; L375-E378 PolarHBondContact O-N 3.48Å; E378-E380 PolarHBondContact O-N 3.38Å; E378-D381 PolarHBondContact O-N 3.34Å; E378-Q382 HydrophobicContact CG-CG 4.21Å; E378-Q382 WeakPolarHBondContact O-CB 3.28Å; E378-Q382 VanDerWaalsContact O-CG 3.22Å; E378-Q382 WeakPolarHBondContact O-CG 3.28Å; E378-Q382 PolarHBondContact O-N 3.48Å |
| 379 | T | 92.1 | Very high | 89.4 | Confident | 11 Ų | 11 | 71.1 Ų | 71.1 | 7% | 0.067 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -60.9 | -45.8 | 178.3 | -57.2 | 0 | 0 | 0 | 0 | 111.9 | E361 V364 T365 L375 R376 K377 D381 Q382 V383 | E361-T379 HydrophobicContact CB-CG2 4.15Å; E361-T379 HydrophobicContact CG-CG2 3.68Å; V364-T379 HydrophobicContact CB-CG2 4.31Å; V364-T379 HydrophobicContact CG1-CG2 4.5Å; V364-T379 WeakPolarHBondContact CG1-OG1 3.49Å; T365-T379 HydrophobicContact CG2-CG2 3.99Å; T365-T379 WeakPolarHBondContact CG2-OG1 3.35Å; L375-T379 WeakPolarHBondContact O-CB 3.48Å; L375-T379 PolarHBondContact O-N 2.97Å; L375-T379 PolarHBondContact O-OG1 3.16Å; R376-T379 WeakPolarHBondContact O-CB 3.47Å; R376-T379 PolarHBondContact O-N 3.22Å; K377-T379 VanDerWaalsContact C-N 3.29Å; K377-T379 PolarHBondContact O-N 3.17Å; T379-D381 PolarHBondContact O-N 2.9Å; T379-Q382 PolarHBondContact O-N 2.93Å; T379-V383 HydrophobicContact CG2-CG2 4.31Å; T379-V383 WeakPolarHBondContact O-CB 3.48Å; T379-V383 VanDerWaalsContact O-CG2 3.23Å; T379-V383 WeakPolarHBondContact O-CG2 3.45Å; T379-V383 PolarHBondContact O-N 2.98Å |
| 380 | E | 89.4 | Confident | 90.3 | Very high | 61 Ų | 61 | 66 Ų | 66 | 29% | 0.285 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.4 | -44.1 | 176.9 | -71.6 | 178.8 | -168.8 | 0 | 0 | 112 | R110 R376 K377 E378 A384 | R110-E380 IonicContact CZ-OE2 3.64Å; R110-E380 IonicContact NH1-OE1 3.28Å; R110-E380 IonicContact NH1-OE2 3.91Å; R110-E380 PolarHBondContact NH1-OE2 3.45Å; R110-E380 IonicContact NH2-OE1 3.73Å; R110-E380 IonicContact NH2-OE2 3.91Å; R110-E380 PolarHBondContact NH2-OE2 3.41Å; R376-E380 IonicContact NE-OE1 2.77Å; R376-E380 WeakPolarHBondContact O-CG 3.37Å; R376-E380 PolarHBondContact O-N 3.4Å; K377-E380 PolarHBondContact O-N 3Å; E378-E380 PolarHBondContact O-N 3.38Å; E380-A384 WeakPolarHBondContact O-CB 3.37Å; E380-A384 PolarHBondContact O-N 2.83Å |
| 381 | D | 92.2 | Very high | 90.9 | Very high | 99 Ų | 99 | 59.4 Ų | 59.4 | 53% | 0.529 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65.1 | -44 | 178.5 | -72 | -22.1 | 0 | 0 | 0 | 111.5 | K377 E378 T379 A384 F385 | K377-D381 PolarHBondContact O-N 3.35Å; E378-D381 PolarHBondContact O-N 3.34Å; T379-D381 PolarHBondContact O-N 2.9Å; D381-A384 PolarHBondContact O-N 3.32Å; D381-F385 VanDerWaalsContact O-CB 3.32Å; D381-F385 WeakPolarHBondContact O-CB 3.35Å; D381-F385 PolarHBondContact O-N 2.98Å |
| 382 | Q | 94.4 | Very high | 91.5 | Very high | 55 Ų | 55 | 60.9 Ų | 60.9 | 26% | 0.257 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 177.2 | -68.1 | -63.6 | -20.2 | 0 | 0 | 111.6 | V364 E378 T379 A384 F385 Y386 L467 | V364-Q382 HydrophobicContact CG2-CB 3.99Å; V364-Q382 HydrophobicContact CG2-CG 4.2Å; E378-Q382 HydrophobicContact CG-CG 4.21Å; E378-Q382 WeakPolarHBondContact O-CB 3.28Å; E378-Q382 VanDerWaalsContact O-CG 3.22Å; E378-Q382 WeakPolarHBondContact O-CG 3.28Å; E378-Q382 PolarHBondContact O-N 3.48Å; T379-Q382 PolarHBondContact O-N 2.93Å; Q382-A384 VanDerWaalsContact C-N 3.31Å; Q382-A384 PolarHBondContact O-N 3.26Å; Q382-F385 PolarHBondContact O-N 3.3Å; Q382-Y386 WeakPolarHBondContact O-CD2 3.36Å; Q382-Y386 PolarHBondContact O-N 2.86Å; Q382-Y386 VanDerWaalsContact OE1-CE2 3.3Å; Q382-L467 HydrophobicContact CB-CD2 4.42Å; Q382-L467 HydrophobicContact CG-CD2 4.39Å |
| 383 | V | 94.2 | Very high | 91.8 | Very high | 15 Ų | 15 | 61 Ų | 61 | 9% | 0.091 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -58.9 | -44.6 | 177.2 | 170.6 | 0 | 0 | 0 | 0 | 110.6 | I81 N357 I360 E361 T379 S387 | I81-V383 HydrophobicContact CD1-CG1 4.35Å; N357-V383 HydrophobicContact CB-CG1 3.89Å; I360-V383 HydrophobicContact CB-CG2 4.13Å; I360-V383 HydrophobicContact CG2-CB 4.42Å; I360-V383 HydrophobicContact CG2-CG2 3.73Å; E361-V383 HydrophobicContact CB-CG2 4.28Å; T379-V383 HydrophobicContact CG2-CG2 4.31Å; T379-V383 WeakPolarHBondContact O-CB 3.48Å; T379-V383 VanDerWaalsContact O-CG2 3.23Å; T379-V383 WeakPolarHBondContact O-CG2 3.45Å; T379-V383 PolarHBondContact O-N 2.98Å; V383-S387 WeakPolarHBondContact O-CB 3.34Å; V383-S387 PolarHBondContact O-N 3.42Å |
| 384 | A | 92.6 | Very high | 92.1 | Very high | 28 Ų | 28 | 55.3 Ų | 55.3 | 23% | 0.231 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -63.8 | -41.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | E380 D381 Q382 S388 | E380-A384 WeakPolarHBondContact O-CB 3.37Å; E380-A384 PolarHBondContact O-N 2.83Å; D381-A384 PolarHBondContact O-N 3.32Å; Q382-A384 VanDerWaalsContact C-N 3.31Å; Q382-A384 PolarHBondContact O-N 3.26Å; A384-S388 WeakPolarHBondContact O-CB 3.3Å; A384-S388 PolarHBondContact O-N 3.13Å; A384-S388 VanDerWaalsContact O-N 3.1Å; A384-S388 PolarHBondContact O-OG 3.04Å |
| 385 | F | 94.1 | Very high | 92.3 | Very high | 119 Ų | 119 | 52 Ų | 52 | 52% | 0.522 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -64.9 | -53 | 178.2 | 178.4 | -107.5 | 0 | 0 | 0 | 112.1 | D381 Q382 S387 S388 I389 | D381-F385 VanDerWaalsContact O-CB 3.32Å; D381-F385 WeakPolarHBondContact O-CB 3.35Å; D381-F385 PolarHBondContact O-N 2.98Å; Q382-F385 PolarHBondContact O-N 3.3Å; F385-S387 PolarHBondContact O-N 3.45Å; F385-S388 WeakPolarHBondContact O-CA 3.37Å; F385-S388 WeakPolarHBondContact O-CB 3.49Å; F385-S388 PolarHBondContact O-N 3.08Å; F385-S388 VanDerWaalsContact O-N 3.08Å; F385-I389 HydrophobicContact CD1-CD1 3.9Å; F385-I389 HydrophobicContact CE1-CD1 3.35Å; F385-I389 HydrophobicContact CE1-CG1 4.39Å; F385-I389 HydrophobicContact CE2-CD1 4.3Å; F385-I389 HydrophobicContact CZ-CD1 3.59Å; F385-I389 HydrophobicContact CZ-CG1 4.38Å; F385-I389 PolarHBondContact O-N 3.43Å |
| 386 | Y | 94.9 | Very high | 92.3 | Very high | 17 Ų | 17 | 53.2 Ų | 53.2 | 7% | 0.067 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -67.8 | -33.6 | -179.7 | -81.4 | -92.6 | 0 | 0 | 0 | 112.4 | Q382 S388 I389 F390 L467 P468 V471 F474 | Q382-Y386 WeakPolarHBondContact O-CD2 3.36Å; Q382-Y386 PolarHBondContact O-N 2.86Å; Q382-Y386 VanDerWaalsContact OE1-CE2 3.3Å; Y386-S388 VanDerWaalsContact C-N 3.27Å; Y386-S388 PolarHBondContact O-N 3.49Å; Y386-I389 PolarHBondContact O-N 3.23Å; Y386-F390 WeakPolarHBondContact O-CB 3.49Å; Y386-F390 PolarHBondContact O-N 3.41Å; Y386-L467 HydrophobicContact CD1-CD1 4.47Å; Y386-L467 HydrophobicContact CD2-CD1 4.17Å; Y386-L467 HydrophobicContact CD2-CD2 4.1Å; Y386-L467 HydrophobicContact CD2-CG 4.14Å; Y386-L467 HydrophobicContact CE1-CD1 4.33Å; Y386-L467 HydrophobicContact CE1-CG 4.05Å; Y386-L467 WeakPolarHBondContact CE1-O 3.42Å; Y386-L467 HydrophobicContact CE2-CD1 4.04Å; Y386-L467 HydrophobicContact CE2-CD2 3.43Å; Y386-L467 VanDerWaalsContact CE2-CD2 3.43Å; Y386-L467 HydrophobicContact CE2-CG 3.5Å; Y386-L467 HydrophobicContact CG-CD1 4.43Å; Y386-L467 VanDerWaalsContact CZ-CG 3.47Å; Y386-P468 WeakPolarHBondContact OH-CA 3.43Å; Y386-V471 HydrophobicContact CD1-CG2 4.25Å; Y386-V471 HydrophobicContact CE1-CG2 3.71Å; Y386-F474 AromaticContact CD1-CE2 3.69Å; Y386-F474 HydrophobicContact CD1-CE2 3.69Å; Y386-F474 AromaticContact CD1-CZ 3.99Å; Y386-F474 HydrophobicContact CD1-CZ 3.99Å; Y386-F474 HydrophobicContact CG-CE2 4.35Å; Y386-F474 WeakPolarHBondContact O-CE2 3.35Å |
| 387 | S | 93.4 | Very high | 92.4 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.7 | -38 | 170.3 | -176.8 | 0 | 0 | 0 | 0 | 112 | A77 V383 F385 F390 G391 | A77-S387 PolarHBondContact O-OG 2.94Å; V383-S387 WeakPolarHBondContact O-CB 3.34Å; V383-S387 PolarHBondContact O-N 3.42Å; F385-S387 PolarHBondContact O-N 3.45Å; S387-F390 PolarHBondContact O-N 3.42Å; S387-G391 PolarHBondContact O-N 2.83Å |
| 388 | S | 93.8 | Very high | 92.5 | Very high | 25 Ų | 25 | 42.8 Ų | 42.8 | 18% | 0.175 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -70.1 | -39.2 | 175.9 | -54.9 | 0 | 0 | 0 | 0 | 112.8 | L228 A384 F385 Y386 T392 | L228-S388 WeakPolarHBondContact CD2-O 3.11Å; A384-S388 WeakPolarHBondContact O-CB 3.3Å; A384-S388 PolarHBondContact O-N 3.13Å; A384-S388 VanDerWaalsContact O-N 3.1Å; A384-S388 PolarHBondContact O-OG 3.04Å; F385-S388 WeakPolarHBondContact O-CA 3.37Å; F385-S388 WeakPolarHBondContact O-CB 3.49Å; F385-S388 PolarHBondContact O-N 3.08Å; F385-S388 VanDerWaalsContact O-N 3.08Å; Y386-S388 VanDerWaalsContact C-N 3.27Å; Y386-S388 PolarHBondContact O-N 3.49Å; S388-T392 WeakPolarHBondContact O-CB 3.46Å; S388-T392 PolarHBondContact O-N 3.11Å; S388-T392 PolarHBondContact O-OG1 2.89Å |
| 389 | I | 94.6 | Very high | 92.3 | Very high | 34 Ų | 34 | 42.8 Ų | 42.8 | 17% | 0.174 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.1 | -50.1 | 172.4 | -66.8 | 175.9 | 0 | 0 | 0 | 110.1 | F385 Y386 G391 T392 M393 V471 F474 | F385-I389 HydrophobicContact CD1-CD1 3.9Å; F385-I389 HydrophobicContact CE1-CD1 3.35Å; F385-I389 HydrophobicContact CE1-CG1 4.39Å; F385-I389 HydrophobicContact CE2-CD1 4.3Å; F385-I389 HydrophobicContact CZ-CD1 3.59Å; F385-I389 HydrophobicContact CZ-CG1 4.38Å; F385-I389 PolarHBondContact O-N 3.43Å; Y386-I389 PolarHBondContact O-N 3.23Å; I389-G391 VanDerWaalsContact C-N 3.34Å; I389-G391 PolarHBondContact O-N 3.1Å; I389-T392 PolarHBondContact O-N 3.31Å; I389-M393 HydrophobicContact CG2-CE 4.38Å; I389-M393 HydrophobicContact CG2-CG 4.21Å; I389-M393 VanDerWaalsContact O-CG 3.3Å; I389-M393 WeakPolarHBondContact O-CG 3.02Å; I389-M393 PolarHBondContact O-N 2.76Å; I389-V471 HydrophobicContact CD1-CG2 4.4Å; I389-V471 HydrophobicContact CG2-CG1 4.07Å; I389-V471 HydrophobicContact CG2-CG2 4.45Å; I389-F474 HydrophobicContact CG2-CD2 4.09Å |
| 390 | F | 93.8 | Very high | 92.1 | Very high | 4 Ų | 4 | 42.8 Ų | 42.8 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -56.6 | -48.2 | 179.9 | 178.1 | -107.5 | 0 | 0 | 0 | 111.4 | F352 M353 M356 Y386 S387 T392 M393 Q394 F474 H477 | F352-F390 HydrophobicContact CD1-CE2 4.24Å; F352-F390 HydrophobicContact CD1-CZ 4.41Å; F352-F390 HydrophobicContact CE1-CD2 4.31Å; F352-F390 AromaticContact CE1-CE2 3.88Å; F352-F390 HydrophobicContact CE1-CE2 3.88Å; F352-F390 HydrophobicContact CE1-CZ 4.43Å; M353-F390 HydrophobicContact CG-CE1 4.11Å; M353-F390 HydrophobicContact CG-CZ 3.87Å; M356-F390 HydrophobicContact CE-CB 4.06Å; M356-F390 HydrophobicContact CE-CD1 4Å; M356-F390 HydrophobicContact CE-CG 4.19Å; M356-F390 HydrophobicContact SD-CB 3.62Å; M356-F390 HydrophobicContact SD-CD1 3.45Å; M356-F390 WeakPolarHBondContact SD-CD1 3.24Å; M356-F390 HydrophobicContact SD-CD2 3.87Å; M356-F390 HydrophobicContact SD-CE1 4.03Å; M356-F390 HydrophobicContact SD-CE2 4.41Å; M356-F390 HydrophobicContact SD-CG 3.35Å; M356-F390 WeakPolarHBondContact SD-CG 3.36Å; M356-F390 HydrophobicContact SD-CZ 4.47Å; Y386-F390 WeakPolarHBondContact O-CB 3.49Å; Y386-F390 PolarHBondContact O-N 3.41Å; S387-F390 PolarHBondContact O-N 3.42Å; F390-T392 PolarHBondContact O-N 3.17Å; F390-M393 PolarHBondContact O-N 2.67Å; F390-Q394 VanDerWaalsContact CE2-NE2 3.29Å; F390-Q394 WeakPolarHBondContact O-CG 3.18Å; F390-Q394 PolarHBondContact O-N 2.96Å; F390-F474 HydrophobicContact CB-CD2 3.83Å; F390-F474 HydrophobicContact CB-CE2 4.03Å; F390-F474 HydrophobicContact CB-CG 4.11Å; F390-F474 HydrophobicContact CD2-CB 3.75Å; F390-F474 AromaticContact CD2-CD1 3.79Å; F390-F474 HydrophobicContact CD2-CD1 3.79Å; F390-F474 HydrophobicContact CD2-CD2 4.29Å; F390-F474 AromaticContact CD2-CG 3.69Å; F390-F474 HydrophobicContact CD2-CG 3.69Å; F390-F474 HydrophobicContact CG-CG 4.38Å; F390-H477 AromaticContact CE2-ND1 3.73Å; F390-H477 AromaticContact CZ-CE1 3.72Å; F390-H477 AromaticContact CZ-ND1 3.8Å |
| 391 | G | 92.4 | Very high | 91.9 | Very high | 3 Ų | 3 | 39.9 Ų | 39.9 | 3% | 0.031 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -63.2 | -37.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | S387 I389 Q394 | S387-G391 PolarHBondContact O-N 2.83Å; I389-G391 VanDerWaalsContact C-N 3.34Å; I389-G391 PolarHBondContact O-N 3.1Å; G391-Q394 WeakPolarHBondContact O-CB 3.47Å; G391-Q394 PolarHBondContact O-N 3.07Å |
| 392 | T | 93 | Very high | 91.6 | Very high | 76 Ų | 76 | 37.1 Ų | 37.1 | 47% | 0.466 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -67.9 | -41.3 | 177 | -56.5 | 0 | 0 | 0 | 0 | 111.2 | L228 S388 I389 F390 Q394 L395 | L228-T392 VanDerWaalsContact CD2-N 3.31Å; L228-T392 WeakPolarHBondContact CD2-OG1 3.44Å; S388-T392 WeakPolarHBondContact O-CB 3.46Å; S388-T392 PolarHBondContact O-N 3.11Å; S388-T392 PolarHBondContact O-OG1 2.89Å; I389-T392 PolarHBondContact O-N 3.31Å; F390-T392 PolarHBondContact O-N 3.17Å; T392-Q394 PolarHBondContact O-N 2.73Å; T392-Q394 VanDerWaalsContact O-N 3.16Å; T392-L395 WeakPolarHBondContact O-CB 3.32Å; T392-L395 PolarHBondContact O-N 3.31Å; T392-L395 VanDerWaalsContact O-N 3.11Å |
| 393 | M | 92.4 | Very high | 91.1 | Very high | 65 Ų | 65 | 39 Ų | 39 | 32% | 0.32 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -59.7 | -26.8 | 178.3 | -73.1 | -66.4 | 167.3 | 0 | 0 | 112.1 | I389 F390 L395 L396 T478 | I389-M393 HydrophobicContact CG2-CE 4.38Å; I389-M393 HydrophobicContact CG2-CG 4.21Å; I389-M393 VanDerWaalsContact O-CG 3.3Å; I389-M393 WeakPolarHBondContact O-CG 3.02Å; I389-M393 PolarHBondContact O-N 2.76Å; F390-M393 PolarHBondContact O-N 2.67Å; M393-L395 PolarHBondContact O-N 3.1Å; M393-L395 VanDerWaalsContact O-N 3.11Å; M393-L396 WeakPolarHBondContact O-CB 2.93Å; M393-L396 PolarHBondContact O-N 2.89Å; M393-T478 WeakPolarHBondContact O-CG2 3.37Å |
| 394 | Q | 91.8 | Very high | 90.5 | Very high | 0 Ų | 0 | 38.2 Ų | 38.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -58.7 | -25.5 | 177 | -60.7 | -62 | -34.6 | 0 | 0 | 113.5 | S222 A224 F390 G391 T392 L396 C397 T478 | S222-Q394 WeakPolarHBondContact CA-O 3.5Å; S222-Q394 PolarHBondContact OG-O 3.04Å; A224-Q394 HydrophobicContact CB-CB 4.04Å; A224-Q394 HydrophobicContact CB-CG 3.76Å; F390-Q394 VanDerWaalsContact CE2-NE2 3.29Å; F390-Q394 WeakPolarHBondContact O-CG 3.18Å; F390-Q394 PolarHBondContact O-N 2.96Å; G391-Q394 WeakPolarHBondContact O-CB 3.47Å; G391-Q394 PolarHBondContact O-N 3.07Å; T392-Q394 PolarHBondContact O-N 2.73Å; T392-Q394 VanDerWaalsContact O-N 3.16Å; Q394-L396 PolarHBondContact O-N 3.24Å; Q394-C397 VanDerWaalsContact O-CB 3.29Å; Q394-C397 WeakPolarHBondContact O-CB 3.13Å; Q394-C397 PolarHBondContact O-N 2.88Å; Q394-C397 VanDerWaalsContact O-N 3.11Å; Q394-T478 PolarHBondContact NE2-OG1 3.36Å |
| 395 | L | 92 | Very high | 89.8 | Confident | 69 Ų | 69 | 37.7 Ų | 37.7 | 36% | 0.361 | 21% | 0.207 | S | C | . | . | G | 310 helix | trans | -61 | -23.3 | 172.8 | -72.9 | 173.5 | 0 | 0 | 0 | 113.2 | V225 T392 M393 C397 L398 | V225-L395 HydrophobicContact CB-CD2 4.17Å; V225-L395 HydrophobicContact CB-CG 4.21Å; V225-L395 HydrophobicContact CG1-CD2 3.89Å; V225-L395 HydrophobicContact CG1-CG 4.47Å; V225-L395 HydrophobicContact CG2-CD1 4.07Å; V225-L395 HydrophobicContact CG2-CD2 4.14Å; V225-L395 HydrophobicContact CG2-CG 3.87Å; T392-L395 WeakPolarHBondContact O-CB 3.32Å; T392-L395 PolarHBondContact O-N 3.31Å; T392-L395 VanDerWaalsContact O-N 3.11Å; M393-L395 PolarHBondContact O-N 3.1Å; M393-L395 VanDerWaalsContact O-N 3.11Å; L395-C397 PolarHBondContact O-N 2.99Å; L395-C397 VanDerWaalsContact O-N 3.11Å; L395-L398 HydrophobicContact CD2-CD1 4.36Å; L395-L398 WeakPolarHBondContact O-CB 3.43Å; L395-L398 PolarHBondContact O-N 3.16Å |
| 396 | L | 90.8 | Very high | 89.2 | Confident | 66 Ų | 66 | 38.7 Ų | 38.7 | 35% | 0.346 | 21% | 0.208 | S | C | . | . | G | 310 helix | trans | -58.8 | -23.6 | 175.9 | -171.2 | 61.4 | 0 | 0 | 0 | 111.6 | M393 Q394 L398 V399 T400 T478 V479 | M393-L396 WeakPolarHBondContact O-CB 2.93Å; M393-L396 PolarHBondContact O-N 2.89Å; Q394-L396 PolarHBondContact O-N 3.24Å; L396-L398 PolarHBondContact O-N 2.82Å; L396-V399 PolarHBondContact O-N 2.9Å; L396-T400 HydrophobicContact CD1-CG2 4.19Å; L396-T400 HydrophobicContact CD2-CG2 4.25Å; L396-T400 HydrophobicContact CG-CG2 3.68Å; L396-T400 WeakPolarHBondContact O-CG2 3.27Å; L396-T400 PolarHBondContact O-N 3.22Å; L396-T400 PolarHBondContact O-OG1 3.13Å; L396-T400 VanDerWaalsContact O-OG1 3.12Å; L396-T478 HydrophobicContact CB-CG2 4.22Å; L396-V479 HydrophobicContact CD2-CG2 4.16Å |
| 397 | C | 89.6 | Confident | 88.6 | Confident | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -28.3 | 173.4 | -73.9 | 0 | 0 | 0 | 0 | 114 | G218 A221 S222 Q394 L395 V399 T400 C401 T478 | G218-C397 WeakPolarHBondContact CA-O 3.42Å; A221-C397 HydrophobicContact CB-CB 3.62Å; S222-C397 VanDerWaalsContact OG-CB 3.27Å; S222-C397 WeakPolarHBondContact OG-CB 3.28Å; Q394-C397 VanDerWaalsContact O-CB 3.29Å; Q394-C397 WeakPolarHBondContact O-CB 3.13Å; Q394-C397 PolarHBondContact O-N 2.88Å; Q394-C397 VanDerWaalsContact O-N 3.11Å; L395-C397 PolarHBondContact O-N 2.99Å; L395-C397 VanDerWaalsContact O-N 3.11Å; C397-V399 PolarHBondContact O-N 3.1Å; C397-T400 VanDerWaalsContact CA-OG1 3.3Å; C397-T400 WeakPolarHBondContact CA-OG1 3.41Å; C397-C401 VanDerWaalsContact O-CB 3.28Å; C397-C401 WeakPolarHBondContact O-CB 3.44Å; C397-C401 PolarHBondContact O-N 3.45Å; C397-C401 PolarHBondContact O-SG 2.79Å; C397-C401 VanDerWaalsContact O-SG 3.35Å; C397-T478 WeakPolarHBondContact SG-CG2 3.4Å; C397-T478 PolarHBondContact SG-O 3.07Å |
| 398 | L | 89.3 | Confident | 87.9 | Confident | 51 Ų | 51 | 41.4 Ų | 41.4 | 27% | 0.267 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.5 | -28.6 | 174.4 | -74.1 | 172.8 | 0 | 0 | 0 | 112.4 | L215 S222 L395 L396 P402 | L215-L398 HydrophobicContact CD1-CD2 4.12Å; S222-L398 WeakPolarHBondContact OG-CG 3.43Å; S222-L398 PolarHBondContact OG-N 3.44Å; L395-L398 HydrophobicContact CD2-CD1 4.36Å; L395-L398 WeakPolarHBondContact O-CB 3.43Å; L395-L398 PolarHBondContact O-N 3.16Å; L396-L398 PolarHBondContact O-N 2.82Å; L398-P402 WeakPolarHBondContact O-CD 3.45Å; L398-P402 VanDerWaalsContact O-CG 3.27Å; L398-P402 WeakPolarHBondContact O-CG 3.48Å |
| 399 | V | 88.6 | Confident | 87.1 | Confident | 100 Ų | 100 | 43.8 Ų | 43.8 | 61% | 0.606 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -99.2 | -40.4 | -177.5 | -177.3 | 0 | 0 | 0 | 0 | 111.2 | L396 C397 P402 L403 | L396-V399 PolarHBondContact O-N 2.9Å; C397-V399 PolarHBondContact O-N 3.1Å; V399-P402 WeakPolarHBondContact O-CD 3.22Å; V399-L403 PolarHBondContact O-N 2.82Å |
| 400 | T | 86.9 | Confident | 86.2 | Confident | 11 Ų | 11 | 47 Ų | 47 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -72.4 | -36.2 | -175.6 | 58.7 | 0 | 0 | 0 | 0 | 112.1 | L396 C397 L403 I404 V479 F483 | L396-T400 HydrophobicContact CD1-CG2 4.19Å; L396-T400 HydrophobicContact CD2-CG2 4.25Å; L396-T400 HydrophobicContact CG-CG2 3.68Å; L396-T400 WeakPolarHBondContact O-CG2 3.27Å; L396-T400 PolarHBondContact O-N 3.22Å; L396-T400 PolarHBondContact O-OG1 3.13Å; L396-T400 VanDerWaalsContact O-OG1 3.12Å; C397-T400 VanDerWaalsContact CA-OG1 3.3Å; C397-T400 WeakPolarHBondContact CA-OG1 3.41Å; T400-L403 WeakPolarHBondContact O-CB 3.18Å; T400-L403 PolarHBondContact O-N 3.48Å; T400-L403 VanDerWaalsContact O-N 3.15Å; T400-I404 PolarHBondContact O-N 3Å; T400-V479 HydrophobicContact CG2-CG2 4.01Å; T400-F483 VanDerWaalsContact O-CE1 3.28Å; T400-F483 WeakPolarHBondContact O-CE1 3.28Å |
| 401 | C | 85.4 | Confident | 85 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61.7 | -45.5 | 176.8 | -71.7 | 0 | 0 | 0 | 0 | 113.2 | C397 L403 I404 G405 G482 | C397-C401 VanDerWaalsContact O-CB 3.28Å; C397-C401 WeakPolarHBondContact O-CB 3.44Å; C397-C401 PolarHBondContact O-N 3.45Å; C397-C401 PolarHBondContact O-SG 2.79Å; C397-C401 VanDerWaalsContact O-SG 3.35Å; C401-L403 VanDerWaalsContact C-N 3.34Å; C401-L403 PolarHBondContact O-N 3.41Å; C401-I404 WeakPolarHBondContact O-CG2 3.5Å; C401-G405 PolarHBondContact O-N 2.85Å; C401-G405 VanDerWaalsContact O-N 3.16Å; C401-G482 VanDerWaalsContact SG-CA 3.58Å |
| 402 | P | 84.9 | Confident | 83.8 | Confident | 42 Ų | 42 | 52.9 Ų | 52.9 | 27% | 0.273 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -60 | -38.5 | 169.2 | -28.1 | 35.3 | 0 | 0 | 0 | 114.3 | L398 V399 G405 Y406 | L398-P402 WeakPolarHBondContact O-CD 3.45Å; L398-P402 VanDerWaalsContact O-CG 3.27Å; L398-P402 WeakPolarHBondContact O-CG 3.48Å; V399-P402 WeakPolarHBondContact O-CD 3.22Å; P402-G405 PolarHBondContact O-N 3.39Å; P402-Y406 PolarHBondContact O-N 3.29Å |
| 403 | L | 85.3 | Confident | 82.2 | Confident | 93 Ų | 93 | 56.9 Ų | 56.9 | 49% | 0.487 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -62.8 | -44.8 | -179.5 | -177.9 | 66.1 | 0 | 0 | 0 | 112.2 | V399 T400 C401 Y406 I407 | V399-L403 PolarHBondContact O-N 2.82Å; T400-L403 WeakPolarHBondContact O-CB 3.18Å; T400-L403 PolarHBondContact O-N 3.48Å; T400-L403 VanDerWaalsContact O-N 3.15Å; C401-L403 VanDerWaalsContact C-N 3.34Å; C401-L403 PolarHBondContact O-N 3.41Å; L403-Y406 WeakPolarHBondContact O-CB 3.28Å; L403-Y406 PolarHBondContact O-N 2.93Å; L403-I407 WeakPolarHBondContact O-CG1 3.36Å; L403-I407 PolarHBondContact O-N 3.48Å; L403-I407 VanDerWaalsContact O-N 3.08Å |
| 404 | I | 82.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -69.3 | -36.2 | 176.7 | -168.3 | 60.5 | 0 | 0 | 0 | 111.6 | T400 C401 Y406 I407 M408 A447 F483 S486 | T400-I404 PolarHBondContact O-N 3Å; C401-I404 WeakPolarHBondContact O-CG2 3.5Å; I404-Y406 VanDerWaalsContact C-N 3.27Å; I404-Y406 PolarHBondContact O-N 2.87Å; I404-I407 HydrophobicContact CD1-CB 4.25Å; I404-I407 HydrophobicContact CD1-CD1 4.12Å; I404-I407 HydrophobicContact CD1-CG2 4.41Å; I404-I407 WeakPolarHBondContact O-CB 3.49Å; I404-I407 PolarHBondContact O-N 3.38Å; I404-I407 VanDerWaalsContact O-N 3.11Å; I404-M408 WeakPolarHBondContact O-CG 3.28Å; I404-M408 PolarHBondContact O-N 3.07Å; I404-A447 HydrophobicContact CD1-CB 3.94Å; I404-F483 HydrophobicContact CB-CD1 3.74Å; I404-F483 HydrophobicContact CB-CD2 4.25Å; I404-F483 HydrophobicContact CB-CE1 3.67Å; I404-F483 HydrophobicContact CB-CE2 4.16Å; I404-F483 HydrophobicContact CB-CG 4.04Å; I404-F483 HydrophobicContact CB-CZ 3.91Å; I404-F483 HydrophobicContact CD1-CD2 3.72Å; I404-F483 HydrophobicContact CD1-CE2 3.75Å; I404-F483 HydrophobicContact CD1-CG 4.22Å; I404-F483 HydrophobicContact CD1-CZ 4.32Å; I404-F483 HydrophobicContact CG1-CB 4.38Å; I404-F483 HydrophobicContact CG1-CD1 4.21Å; I404-F483 HydrophobicContact CG1-CD2 4.01Å; I404-F483 HydrophobicContact CG1-CE1 4.46Å; I404-F483 HydrophobicContact CG1-CE2 4.24Å; I404-F483 HydrophobicContact CG1-CG 3.98Å; I404-F483 HydrophobicContact CG1-CZ 4.5Å; I404-F483 HydrophobicContact CG2-CD1 3.85Å; I404-F483 HydrophobicContact CG2-CE1 4.05Å; I404-F483 HydrophobicContact CG2-CG 4.39Å; I404-S486 VanDerWaalsContact CG2-CB 3.44Å |
| 405 | G | 77.8 | Confident | 78.9 | Confident | 17 Ų | 17 | 58 Ų | 58 | 18% | 0.175 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -57.5 | -42.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | C401 P402 I407 M408 D409 | C401-G405 PolarHBondContact O-N 2.85Å; C401-G405 VanDerWaalsContact O-N 3.16Å; P402-G405 PolarHBondContact O-N 3.39Å; G405-I407 PolarHBondContact O-N 2.99Å; G405-M408 PolarHBondContact O-N 3.48Å; G405-D409 PolarHBondContact O-N 3.18Å |
| 406 | Y | 80.8 | Confident | 77 | Confident | 139 Ų | 139 | 59 Ų | 59 | 55% | 0.545 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 173.9 | 179.2 | -104.3 | 0 | 0 | 0 | 113.1 | P402 L403 I404 M408 D409 W410 | P402-Y406 PolarHBondContact O-N 3.29Å; L403-Y406 WeakPolarHBondContact O-CB 3.28Å; L403-Y406 PolarHBondContact O-N 2.93Å; I404-Y406 VanDerWaalsContact C-N 3.27Å; I404-Y406 PolarHBondContact O-N 2.87Å; Y406-M408 VanDerWaalsContact C-N 3.31Å; Y406-M408 PolarHBondContact O-N 3.48Å; Y406-D409 CarbonylContact O-C 3.32Å; Y406-D409 PolarHBondContact O-N 3.03Å; Y406-W410 HydrophobicContact CD1-CE3 4.23Å; Y406-W410 AromaticContact CE1-CE3 3.42Å; Y406-W410 HydrophobicContact CE1-CE3 3.42Å; Y406-W410 VanDerWaalsContact CE1-CE3 3.42Å; Y406-W410 AromaticContact CE1-CZ3 3.43Å; Y406-W410 HydrophobicContact CE1-CZ3 3.43Å; Y406-W410 VanDerWaalsContact CE1-CZ3 3.43Å; Y406-W410 AromaticContact CZ-CE3 3.63Å; Y406-W410 AromaticContact CZ-CZ3 3.56Å; Y406-W410 WeakPolarHBondContact O-CA 3.42Å; Y406-W410 PolarHBondContact O-N 3.25Å; Y406-W410 WeakPolarHBondContact OH-CZ3 3.37Å |
| 407 | I | 82.4 | Confident | 75.1 | Confident | 55 Ų | 55 | 61.7 Ų | 61.7 | 28% | 0.282 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -62.6 | -38.7 | 174.7 | -67.4 | 167.9 | 0 | 0 | 0 | 111 | L403 I404 G405 W410 | L403-I407 WeakPolarHBondContact O-CG1 3.36Å; L403-I407 PolarHBondContact O-N 3.48Å; L403-I407 VanDerWaalsContact O-N 3.08Å; I404-I407 HydrophobicContact CD1-CB 4.25Å; I404-I407 HydrophobicContact CD1-CD1 4.12Å; I404-I407 HydrophobicContact CD1-CG2 4.41Å; I404-I407 WeakPolarHBondContact O-CB 3.49Å; I404-I407 PolarHBondContact O-N 3.38Å; I404-I407 VanDerWaalsContact O-N 3.11Å; G405-I407 PolarHBondContact O-N 2.99Å; I407-W410 WeakPolarHBondContact O-CB 3.2Å; I407-W410 PolarHBondContact O-N 3.4Å |
| 408 | M | 78.1 | Confident | 73.1 | Confident | 20 Ų | 20 | 65.2 Ų | 65.2 | 10% | 0.099 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -70.1 | -37.1 | 178.1 | -66 | -170.5 | 84.6 | 0 | 0 | 112.5 | I404 G405 Y406 W410 N443 A444 A447 C487 | I404-M408 WeakPolarHBondContact O-CG 3.28Å; I404-M408 PolarHBondContact O-N 3.07Å; G405-M408 PolarHBondContact O-N 3.48Å; Y406-M408 VanDerWaalsContact C-N 3.31Å; Y406-M408 PolarHBondContact O-N 3.48Å; M408-W410 VanDerWaalsContact C-N 3.27Å; M408-W410 PolarHBondContact O-N 2.97Å; M408-N443 WeakPolarHBondContact O-CB 3.34Å; M408-N443 PolarHBondContact O-ND2 3.33Å; M408-A444 HydrophobicContact CE-CB 4.46Å; M408-A447 HydrophobicContact CG-CB 4.24Å; M408-C487 WeakPolarHBondContact CE-O 3.3Å |
| 409 | D | 77 | Confident | 71.2 | Confident | 75 Ų | 75 | 69.9 Ų | 69.9 | 40% | 0.401 | 33% | 0.333 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | 2 | 176.3 | -72.5 | -17.7 | 0 | 0 | 0 | 113.2 | S210 G405 Y406 R411 L412 | S210-D409 PolarHBondContact OG-OD2 3.44Å; G405-D409 PolarHBondContact O-N 3.18Å; Y406-D409 CarbonylContact O-C 3.32Å; Y406-D409 PolarHBondContact O-N 3.03Å; D409-R411 PolarHBondContact O-N 3.47Å; D409-L412 VanDerWaalsContact O-CB 3.23Å; D409-L412 WeakPolarHBondContact O-CB 3.45Å; D409-L412 PolarHBondContact O-N 3Å; D409-L412 VanDerWaalsContact O-N 3.09Å |
| 410 | W | 76.4 | Confident | 69.4 | Low | 102 Ų | 102 | 69.5 Ų | 69.5 | 39% | 0.386 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.9 | 128.4 | -176.1 | -178.9 | -99.6 | 0 | 0 | 0 | 112.3 | Y406 I407 M408 L412 N443 | Y406-W410 HydrophobicContact CD1-CE3 4.23Å; Y406-W410 AromaticContact CE1-CE3 3.42Å; Y406-W410 HydrophobicContact CE1-CE3 3.42Å; Y406-W410 VanDerWaalsContact CE1-CE3 3.42Å; Y406-W410 AromaticContact CE1-CZ3 3.43Å; Y406-W410 HydrophobicContact CE1-CZ3 3.43Å; Y406-W410 VanDerWaalsContact CE1-CZ3 3.43Å; Y406-W410 AromaticContact CZ-CE3 3.63Å; Y406-W410 AromaticContact CZ-CZ3 3.56Å; Y406-W410 WeakPolarHBondContact O-CA 3.42Å; Y406-W410 PolarHBondContact O-N 3.25Å; Y406-W410 WeakPolarHBondContact OH-CZ3 3.37Å; I407-W410 WeakPolarHBondContact O-CB 3.2Å; I407-W410 PolarHBondContact O-N 3.4Å; M408-W410 VanDerWaalsContact C-N 3.27Å; M408-W410 PolarHBondContact O-N 2.97Å; W410-L412 PolarHBondContact O-N 2.92Å; W410-L412 VanDerWaalsContact O-N 3.09Å; W410-N443 PolarHBondContact O-ND2 2.69Å |
| 411 | R | 67.6 | Low | 67.4 | Low | 113 Ų | 113 | 73.5 Ų | 73.5 | 43% | 0.426 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 58.3 | 17.1 | -179.4 | -60.9 | -85.5 | -174.1 | 168.3 | -0.7 | 114 | D409 E414 | D409-R411 PolarHBondContact O-N 3.47Å; R411-E414 WeakPolarHBondContact CD-OE1 3.36Å; R411-E414 WeakPolarHBondContact CD-OE2 3.47Å; R411-E414 IonicContact CZ-OE1 3.39Å; R411-E414 IonicContact CZ-OE2 3.33Å; R411-E414 IonicContact NE-OE1 3.66Å; R411-E414 PolarHBondContact NE-OE1 3.02Å; R411-E414 IonicContact NE-OE2 2.95Å; R411-E414 IonicContact NH1-OE1 3.01Å; R411-E414 PolarHBondContact NH1-OE1 3.39Å; R411-E414 IonicContact NH1-OE2 2.72Å; R411-E414 PolarHBondContact NH1-OE2 3.34Å |
| 412 | L | 68.1 | Low | 65.7 | Low | 17 Ų | 17 | 78.3 Ų | 78.3 | 9% | 0.089 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -78.5 | -32.7 | 176.8 | -165 | 70.1 | 0 | 0 | 0 | 112.1 | D409 W410 E414 C415 R436 K440 | D409-L412 VanDerWaalsContact O-CB 3.23Å; D409-L412 WeakPolarHBondContact O-CB 3.45Å; D409-L412 PolarHBondContact O-N 3Å; D409-L412 VanDerWaalsContact O-N 3.09Å; W410-L412 PolarHBondContact O-N 2.92Å; W410-L412 VanDerWaalsContact O-N 3.09Å; L412-E414 VanDerWaalsContact C-N 3.35Å; L412-C415 WeakPolarHBondContact O-CB 3.48Å; L412-C415 PolarHBondContact O-N 3.2Å; L412-R436 HydrophobicContact CD1-CG 3.78Å; L412-K440 HydrophobicContact CD1-CD 4.36Å; L412-K440 HydrophobicContact CD1-CG 3.53Å; L412-K440 HydrophobicContact CD2-CG 4.4Å |
| 413 | K | 59.1 | Low | 63.7 | Low | 159 Ų | 159 | 81 Ų | 81 | 69% | 0.691 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -65.5 | -35.4 | 178 | -70.6 | -175.5 | 177.3 | -178.2 | 0 | 113 | C415 E416 E417 | K413-C415 PolarHBondContact O-N 3.47Å; K413-E416 WeakPolarHBondContact O-CB 3.34Å; K413-E416 PolarHBondContact O-N 3.01Å; K413-E417 PolarHBondContact O-N 3.31Å; K413-E417 VanDerWaalsContact O-N 3.11Å |
| 414 | E | 58.4 | Low | 61.6 | Low | 83 Ų | 83 | 82.1 Ų | 82.1 | 39% | 0.388 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.3 | -32.4 | 176.1 | -65.9 | 175.5 | -168.4 | 0 | 0 | 111.6 | R411 L412 E416 E418 | R411-E414 WeakPolarHBondContact CD-OE1 3.36Å; R411-E414 WeakPolarHBondContact CD-OE2 3.47Å; R411-E414 IonicContact CZ-OE1 3.39Å; R411-E414 IonicContact CZ-OE2 3.33Å; R411-E414 IonicContact NE-OE1 3.66Å; R411-E414 PolarHBondContact NE-OE1 3.02Å; R411-E414 IonicContact NE-OE2 2.95Å; R411-E414 IonicContact NH1-OE1 3.01Å; R411-E414 PolarHBondContact NH1-OE1 3.39Å; R411-E414 IonicContact NH1-OE2 2.72Å; R411-E414 PolarHBondContact NH1-OE2 3.34Å; L412-E414 VanDerWaalsContact C-N 3.35Å; E414-E416 VanDerWaalsContact C-N 3.32Å; E414-E416 PolarHBondContact O-N 3.39Å; E414-E418 VanDerWaalsContact O-CB 3.27Å; E414-E418 WeakPolarHBondContact O-CB 3.1Å; E414-E418 PolarHBondContact O-N 2.99Å; E414-E418 VanDerWaalsContact O-N 3.11Å |
| 415 | C | 56.1 | Low | 59.3 | Low | 6 Ų | 6 | 85.6 Ų | 85.6 | 4% | 0.041 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -69.8 | -24.5 | 172.6 | -64.7 | 0 | 0 | 0 | 0 | 113.6 | L412 K413 | L412-C415 WeakPolarHBondContact O-CB 3.48Å; L412-C415 PolarHBondContact O-N 3.2Å; K413-C415 PolarHBondContact O-N 3.47Å |
| 416 | E | 53.2 | Low | 57.6 | Low | 91 Ų | 91 | 95.3 Ų | 95.3 | 43% | 0.425 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -81 | -41.6 | 178.1 | -68.8 | -176.5 | 160.3 | 0 | 0 | 111.1 | K413 E414 H419 V420 R436 | K413-E416 WeakPolarHBondContact O-CB 3.34Å; K413-E416 PolarHBondContact O-N 3.01Å; E414-E416 VanDerWaalsContact C-N 3.32Å; E414-E416 PolarHBondContact O-N 3.39Å; E416-H419 PolarHBondContact O-N 3.1Å; E416-V420 WeakPolarHBondContact O-CG2 3.25Å; E416-V420 PolarHBondContact O-N 2.94Å; E416-R436 IonicContact OE1-CZ 3.18Å; E416-R436 VanDerWaalsContact OE1-CZ 3.28Å; E416-R436 IonicContact OE1-NH1 2.67Å; E416-R436 PolarHBondContact OE1-NH1 3.43Å; E416-R436 IonicContact OE1-NH2 2.65Å; E416-R436 PolarHBondContact OE1-NH2 3.31Å |
| 417 | E | 50.1 | Low | 55.3 | Low | 122 Ų | 122 | 93.9 Ų | 93.9 | 57% | 0.57 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68 | -38.3 | 177.2 | -68.5 | 175.3 | -172.9 | 0 | 0 | 112 | K413 H419 V420 N421 | K413-E417 PolarHBondContact O-N 3.31Å; K413-E417 VanDerWaalsContact O-N 3.11Å; E417-H419 VanDerWaalsContact C-N 3.31Å; E417-H419 PolarHBondContact O-N 3.27Å; E417-V420 PolarHBondContact O-N 3.47Å; E417-N421 WeakPolarHBondContact O-CB 3.24Å; E417-N421 VanDerWaalsContact O-CG 3.3Å; E417-N421 PolarHBondContact O-N 3.1Å; E417-N421 PolarHBondContact O-ND2 2.74Å |
| 418 | E | 47.4 | Very low | 53.3 | Low | 74 Ų | 74 | 98.6 Ų | 98.6 | 35% | 0.346 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -34.8 | 176.2 | -158 | 171.7 | -150.5 | 0 | 0 | 111.6 | E414 I422 | E414-E418 VanDerWaalsContact O-CB 3.27Å; E414-E418 WeakPolarHBondContact O-CB 3.1Å; E414-E418 PolarHBondContact O-N 2.99Å; E414-E418 VanDerWaalsContact O-N 3.11Å; E418-I422 HydrophobicContact CG-CD1 4.23Å; E418-I422 VanDerWaalsContact O-CD1 3.26Å; E418-I422 WeakPolarHBondContact O-CD1 3.46Å; E418-I422 WeakPolarHBondContact O-CG1 3.24Å; E418-I422 PolarHBondContact O-N 3.4Å |
| 419 | H | 49.8 | Very low | 51.6 | Low | 148 Ų | 148 | 103.8 Ų | 103.8 | 69% | 0.685 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.9 | -38.1 | 174.8 | -111.1 | -79 | 0 | 0 | 0 | 113.2 | E416 E417 S423 | E416-H419 PolarHBondContact O-N 3.1Å; E417-H419 VanDerWaalsContact C-N 3.31Å; E417-H419 PolarHBondContact O-N 3.27Å; H419-S423 PolarHBondContact O-N 2.96Å |
| 420 | V | 50.6 | Low | 49.8 | Very low | 92 Ų | 92 | 104.1 Ų | 104.1 | 56% | 0.558 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -72.3 | -43.4 | 179.5 | 175.4 | 0 | 0 | 0 | 0 | 110.8 | E416 E417 I422 S423 T424 | E416-V420 WeakPolarHBondContact O-CG2 3.25Å; E416-V420 PolarHBondContact O-N 2.94Å; E417-V420 PolarHBondContact O-N 3.47Å; V420-I422 VanDerWaalsContact C-N 3.33Å; V420-I422 PolarHBondContact O-N 3.42Å; V420-S423 PolarHBondContact O-N 3.21Å; V420-S423 PolarHBondContact O-OG 3.05Å; V420-T424 PolarHBondContact O-OG1 3.37Å; V420-T424 VanDerWaalsContact O-OG1 3.05Å |
| 421 | N | 44.3 | Very low | 48.1 | Very low | 96 Ų | 96 | 103.8 Ų | 103.8 | 51% | 0.513 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -69.5 | -27.1 | -178.1 | -67.6 | -18.3 | 0 | 0 | 0 | 113.4 | E417 T424 S425 | E417-N421 WeakPolarHBondContact O-CB 3.24Å; E417-N421 VanDerWaalsContact O-CG 3.3Å; E417-N421 PolarHBondContact O-N 3.1Å; E417-N421 PolarHBondContact O-ND2 2.74Å; N421-T424 PolarHBondContact O-N 3.35Å; N421-T424 PolarHBondContact O-OG1 3.37Å; N421-S425 PolarHBondContact O-N 2.92Å; N421-S425 VanDerWaalsContact O-N 3.12Å; N421-S425 PolarHBondContact O-OG 3.44Å |
| 422 | I | 49.5 | Very low | 47.1 | Very low | 101 Ų | 101 | 104.3 Ų | 104.3 | 52% | 0.518 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -74.7 | -32.7 | 173.8 | -67.5 | 166.3 | 0 | 0 | 0 | 111.6 | E418 V420 T424 S425 | E418-I422 HydrophobicContact CG-CD1 4.23Å; E418-I422 VanDerWaalsContact O-CD1 3.26Å; E418-I422 WeakPolarHBondContact O-CD1 3.46Å; E418-I422 WeakPolarHBondContact O-CG1 3.24Å; E418-I422 PolarHBondContact O-N 3.4Å; V420-I422 VanDerWaalsContact C-N 3.33Å; V420-I422 PolarHBondContact O-N 3.42Å; I422-T424 PolarHBondContact O-N 3.01Å; I422-T424 VanDerWaalsContact O-N 3.14Å; I422-S425 PolarHBondContact O-N 3.48Å |
| 423 | S | 44 | Very low | 46.4 | Very low | 99 Ų | 99 | 111.1 Ų | 111.1 | 69% | 0.692 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.5 | -12.2 | 173.6 | 67.2 | 0 | 0 | 0 | 0 | 113.6 | H419 V420 | H419-S423 PolarHBondContact O-N 2.96Å; V420-S423 PolarHBondContact O-N 3.21Å; V420-S423 PolarHBondContact O-OG 3.05Å |
| 424 | T | 40 | Very low | 46.4 | Very low | 116 Ų | 116 | 108.5 Ų | 108.5 | 71% | 0.712 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -114.2 | -8.6 | 179.4 | 27.1 | 0 | 0 | 0 | 0 | 114.7 | V420 N421 I422 | V420-T424 PolarHBondContact O-OG1 3.37Å; V420-T424 VanDerWaalsContact O-OG1 3.05Å; N421-T424 PolarHBondContact O-N 3.35Å; N421-T424 PolarHBondContact O-OG1 3.37Å; I422-T424 PolarHBondContact O-N 3.01Å; I422-T424 VanDerWaalsContact O-N 3.14Å |
| 425 | S | 34.3 | Very low | 46.9 | Very low | 72 Ų | 72 | 107.1 Ų | 107.1 | 50% | 0.503 | 59% | 0.594 | S | S | . | * | trans | -138.2 | 112.1 | 179.7 | 62.7 | 0 | 0 | 0 | 0 | 113.4 | N421 I422 S427 | N421-S425 PolarHBondContact O-N 2.92Å; N421-S425 VanDerWaalsContact O-N 3.12Å; N421-S425 PolarHBondContact O-OG 3.44Å; I422-S425 PolarHBondContact O-N 3.48Å; S425-S427 PolarHBondContact O-N 3.41Å | ||
| 426 | K | 43 | Very low | 47.7 | Very low | 222 Ų | 222 | 112 Ų | 112 | 97% | 0.965 | 61% | 0.612 | S | S | * | * | trans | -78.5 | 105 | 157.8 | -77.8 | -178.1 | 175.3 | -178.8 | 0 | 107.5 | ||||
| 427 | S | 33 | Very low | 48.7 | Very low | 109 Ų | 109 | 115 Ų | 115 | 76% | 0.762 | 62% | 0.624 | S | S | * | * | trans | -158.1 | 141.2 | 160.7 | -173.9 | 0 | 0 | 0 | 0 | 111.5 | S425 | S425-S427 PolarHBondContact O-N 3.41Š| ||
| 428 | N | 40.3 | Very low | 50.2 | Low | 154 Ų | 154 | 110.2 Ų | 110.2 | 82% | 0.824 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -71.7 | 155.2 | -173.8 | -69.3 | -33.3 | 0 | 0 | 0 | 112.6 | ||
| 429 | S | 42.6 | Very low | 51.8 | Low | 129 Ų | 129 | 106.9 Ų | 106.9 | 90% | 0.902 | 59% | 0.586 | S | S | * | * | trans | 75 | 76.9 | 177.7 | 72.6 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 430 | A | 37.5 | Very low | 53.4 | Low | 81 Ų | 81 | 102.7 Ų | 102.7 | 67% | 0.669 | 57% | 0.566 | S | S | * | * | trans | -116.1 | 146.2 | 168.7 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 431 | P | 41.5 | Very low | 55 | Low | 95 Ų | 95 | 98.5 Ų | 98.5 | 62% | 0.617 | 54% | 0.541 | S | S | * | . | trans | -59.3 | 163.4 | 173.3 | 26.9 | -33.2 | 0 | 0 | 0 | 111.1 | K433 | P431-K433 PolarHBondContact O-N 3.45Š| ||
| 432 | P | 46.4 | Very low | 57.1 | Low | 124 Ų | 124 | 94.1 Ų | 94.1 | 81% | 0.805 | 52% | 0.517 | S | S | * | . | trans | -59.8 | 124.8 | -168 | 22.2 | -32.5 | 0 | 0 | 0 | 111.9 | R434 | P432-R434 PolarHBondContact O-N 2.92Š| ||
| 433 | K | 53 | Low | 58.9 | Low | 161 Ų | 161 | 89.4 Ų | 89.4 | 70% | 0.7 | 49% | 0.493 | S | S | * | . | trans | -43.2 | 109 | 177.1 | -73 | 175 | 178.9 | 171.1 | 0 | 111.5 | P431 D435 | P431-K433 PolarHBondContact O-N 3.45Å; K433-D435 PolarHBondContact O-N 3.38Å | ||
| 434 | R | 58.6 | Low | 61 | Low | 104 Ų | 104 | 84.7 Ų | 84.7 | 39% | 0.392 | 46% | 0.461 | S | S | . | . | trans | -78.6 | 106.1 | -179.9 | -160.6 | 174.4 | -171 | 166.6 | 1.3 | 110.2 | P432 R436 Q439 | P432-R434 PolarHBondContact O-N 2.92Å; R434-R436 PolarHBondContact O-N 2.85Å; R434-Q439 HydrophobicContact CG-CB 4.44Å; R434-Q439 VanDerWaalsContact CZ-CD 3.47Å; R434-Q439 VanDerWaalsContact NE-CD 3.26Å; R434-Q439 VanDerWaalsContact NH2-NE2 3.15Å | ||
| 435 | D | 70.4 | Confident | 63.4 | Low | 53 Ų | 53 | 79.6 Ų | 79.6 | 28% | 0.283 | 43% | 0.429 | S | S | . | . | trans | -66.2 | 126.7 | -179.9 | -159.4 | -55.5 | 0 | 0 | 0 | 111.6 | K433 K437 I438 Q439 K566 | K433-D435 PolarHBondContact O-N 3.38Å; D435-K437 PolarHBondContact O-N 3.34Å; D435-K437 WeakPolarHBondContact OD1-CB 3.44Å; D435-K437 PolarHBondContact OD1-N 3.42Å; D435-I438 HydrophobicContact CB-CB 3.92Å; D435-I438 HydrophobicContact CB-CD1 3.7Å; D435-I438 HydrophobicContact CB-CG1 3.74Å; D435-I438 PolarHBondContact O-N 3Å; D435-Q439 WeakPolarHBondContact O-CB 3.32Å; D435-Q439 PolarHBondContact O-N 3.34Å; D435-K566 IonicContact OD2-NZ 3.49Å; D435-K566 PolarHBondContact OD2-NZ 2.92Å | ||
| 436 | R | 72.7 | Confident | 66.1 | Low | 108 Ų | 108 | 82.7 Ų | 82.7 | 41% | 0.408 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -56.1 | -38.9 | 178.1 | -170 | -179.5 | -176.5 | 168.2 | 8.2 | 112 | L412 E416 R434 K440 | L412-R436 HydrophobicContact CD1-CG 3.78Å; E416-R436 IonicContact OE1-CZ 3.18Å; E416-R436 VanDerWaalsContact OE1-CZ 3.28Å; E416-R436 IonicContact OE1-NH1 2.67Å; E416-R436 PolarHBondContact OE1-NH1 3.43Å; E416-R436 IonicContact OE1-NH2 2.65Å; E416-R436 PolarHBondContact OE1-NH2 3.31Å; R434-R436 PolarHBondContact O-N 2.85Å; R436-K440 WeakPolarHBondContact O-CB 3.22Å; R436-K440 WeakPolarHBondContact O-CG 3.46Å; R436-K440 PolarHBondContact O-N 2.96Å |
| 437 | K | 74.3 | Confident | 68.4 | Low | 154 Ų | 154 | 72.1 Ų | 72.1 | 67% | 0.67 | 38% | 0.383 | S | S | * | . | H | α-helix | trans | -69.1 | -45.8 | 179.4 | -71.9 | -176.3 | 178.1 | 178.1 | 0 | 111.3 | D435 Q439 K440 L441 | D435-K437 PolarHBondContact O-N 3.34Å; D435-K437 WeakPolarHBondContact OD1-CB 3.44Å; D435-K437 PolarHBondContact OD1-N 3.42Å; K437-Q439 VanDerWaalsContact C-N 3.27Å; K437-Q439 PolarHBondContact O-N 3.3Å; K437-K440 PolarHBondContact O-N 2.61Å; K437-L441 WeakPolarHBondContact O-CB 3.49Å; K437-L441 PolarHBondContact O-N 3.49Å |
| 438 | I | 80.8 | Confident | 71.3 | Confident | 23 Ų | 23 | 66.9 Ų | 66.9 | 12% | 0.118 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.3 | -36.6 | 178.5 | -59.3 | 176.1 | 0 | 0 | 0 | 110.4 | D435 S442 R559 I563 K566 | D435-I438 HydrophobicContact CB-CB 3.92Å; D435-I438 HydrophobicContact CB-CD1 3.7Å; D435-I438 HydrophobicContact CB-CG1 3.74Å; D435-I438 PolarHBondContact O-N 3Å; I438-S442 WeakPolarHBondContact O-CB 3.45Å; I438-S442 PolarHBondContact O-N 2.89Å; I438-R559 HydrophobicContact CG2-CG 4.12Å; I438-I563 HydrophobicContact CD1-CG1 4.06Å; I438-I563 HydrophobicContact CG2-CD1 4.29Å; I438-I563 HydrophobicContact CG2-CG1 4.13Å; I438-K566 HydrophobicContact CD1-CD 4.15Å |
| 439 | Q | 82 | Confident | 73.9 | Confident | 4 Ų | 4 | 63.4 Ų | 63.4 | 2% | 0.019 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -69.7 | -47.4 | 178.4 | -176.3 | 52.3 | 24.2 | 0 | 0 | 112.4 | R434 D435 K437 L441 S442 N443 | R434-Q439 HydrophobicContact CG-CB 4.44Å; R434-Q439 VanDerWaalsContact CZ-CD 3.47Å; R434-Q439 VanDerWaalsContact NE-CD 3.26Å; R434-Q439 VanDerWaalsContact NH2-NE2 3.15Å; D435-Q439 WeakPolarHBondContact O-CB 3.32Å; D435-Q439 PolarHBondContact O-N 3.34Å; K437-Q439 VanDerWaalsContact C-N 3.27Å; K437-Q439 PolarHBondContact O-N 3.3Å; Q439-L441 VanDerWaalsContact C-N 3.28Å; Q439-L441 PolarHBondContact O-N 3.46Å; Q439-S442 PolarHBondContact O-N 3.39Å; Q439-S442 VanDerWaalsContact O-N 3.13Å; Q439-N443 PolarHBondContact NE2-OD1 3.21Å; Q439-N443 PolarHBondContact O-N 3.49Å |
| 440 | K | 81.9 | Confident | 76.4 | Confident | 59 Ų | 59 | 62 Ų | 62 | 26% | 0.257 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -56.1 | -44.7 | 173.2 | -75.9 | -176 | 174.3 | -172 | 0 | 111.6 | L412 R436 K437 S442 N443 A444 A494 | L412-K440 HydrophobicContact CD1-CD 4.36Å; L412-K440 HydrophobicContact CD1-CG 3.53Å; L412-K440 HydrophobicContact CD2-CG 4.4Å; R436-K440 WeakPolarHBondContact O-CB 3.22Å; R436-K440 WeakPolarHBondContact O-CG 3.46Å; R436-K440 PolarHBondContact O-N 2.96Å; K437-K440 PolarHBondContact O-N 2.61Å; K440-S442 PolarHBondContact O-N 2.95Å; K440-N443 PolarHBondContact O-N 2.91Å; K440-A444 WeakPolarHBondContact O-CB 3.32Å; K440-A444 PolarHBondContact O-N 2.87Å; K440-A494 HydrophobicContact CB-CB 3.67Å; K440-A494 HydrophobicContact CD-CB 4.14Å |
| 441 | L | 85.5 | Confident | 79 | Confident | 5 Ų | 5 | 58.2 Ų | 58.2 | 3% | 0.026 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -63.1 | -41.4 | 176.8 | -175.2 | 62.1 | 0 | 0 | 0 | 111.9 | K437 Q439 N443 A444 I445 L491 V495 L555 R559 L562 | K437-L441 WeakPolarHBondContact O-CB 3.49Å; K437-L441 PolarHBondContact O-N 3.49Å; Q439-L441 VanDerWaalsContact C-N 3.28Å; Q439-L441 PolarHBondContact O-N 3.46Å; L441-N443 PolarHBondContact O-N 2.85Å; L441-A444 PolarHBondContact O-N 3.22Å; L441-I445 HydrophobicContact CG-CD1 4.25Å; L441-I445 VanDerWaalsContact O-CG1 3.26Å; L441-I445 WeakPolarHBondContact O-CG1 3.32Å; L441-I445 PolarHBondContact O-N 3.47Å; L441-L491 HydrophobicContact CD1-CD1 4.26Å; L441-V495 HydrophobicContact CD1-CG2 4.3Å; L441-L555 HydrophobicContact CD1-CB 4.49Å; L441-L555 HydrophobicContact CD1-CD1 4.36Å; L441-L555 HydrophobicContact CD1-CD2 4.01Å; L441-R559 HydrophobicContact CD2-CB 3.89Å; L441-R559 HydrophobicContact CD2-CG 4.43Å; L441-L562 HydrophobicContact CD2-CD1 4.04Å |
| 442 | S | 87.2 | Confident | 81.6 | Confident | 3 Ų | 3 | 53.7 Ų | 53.7 | 2% | 0.021 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.6 | -37.9 | 177 | -170.2 | 0 | 0 | 0 | 0 | 112.8 | I438 Q439 K440 R446 R559 | I438-S442 WeakPolarHBondContact O-CB 3.45Å; I438-S442 PolarHBondContact O-N 2.89Å; Q439-S442 PolarHBondContact O-N 3.39Å; Q439-S442 VanDerWaalsContact O-N 3.13Å; K440-S442 PolarHBondContact O-N 2.95Å; S442-R446 WeakPolarHBondContact O-CG 3.33Å; S442-R446 PolarHBondContact O-N 3.04Å; S442-R559 PolarHBondContact OG-NH1 2.92Å |
| 443 | N | 87.8 | Confident | 84 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.011 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -68.2 | -42.6 | 175.5 | -68.6 | -9 | 0 | 0 | 0 | 111 | M408 W410 Q439 K440 L441 I445 R446 A447 | M408-N443 WeakPolarHBondContact O-CB 3.34Å; M408-N443 PolarHBondContact O-ND2 3.33Å; W410-N443 PolarHBondContact O-ND2 2.69Å; Q439-N443 PolarHBondContact NE2-OD1 3.21Å; Q439-N443 PolarHBondContact O-N 3.49Å; K440-N443 PolarHBondContact O-N 2.91Å; L441-N443 PolarHBondContact O-N 2.85Å; N443-I445 PolarHBondContact O-N 2.93Å; N443-R446 PolarHBondContact O-N 2.95Å; N443-A447 WeakPolarHBondContact O-CB 3.43Å; N443-A447 PolarHBondContact O-N 3.36Å |
| 444 | A | 88.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.008 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -59.2 | -44.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | M408 K440 L441 R446 A447 F448 L491 | M408-A444 HydrophobicContact CE-CB 4.46Å; K440-A444 WeakPolarHBondContact O-CB 3.32Å; K440-A444 PolarHBondContact O-N 2.87Å; L441-A444 PolarHBondContact O-N 3.22Å; A444-R446 VanDerWaalsContact C-N 3.34Å; A444-R446 PolarHBondContact O-N 3.23Å; A444-A447 PolarHBondContact O-N 3.28Å; A444-F448 VanDerWaalsContact O-CD2 3.26Å; A444-F448 WeakPolarHBondContact O-CD2 3.34Å; A444-F448 PolarHBondContact O-N 3.05Å; A444-L491 HydrophobicContact CB-CD1 4.17Å |
| 445 | I | 91.3 | Very high | 87.9 | Confident | 9 Ų | 9 | 41.4 Ų | 41.4 | 5% | 0.046 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -55.8 | -48.5 | 175.4 | -69.1 | 163.1 | 0 | 0 | 0 | 111 | L441 N443 A447 F448 I449 L555 R559 | L441-I445 HydrophobicContact CG-CD1 4.25Å; L441-I445 VanDerWaalsContact O-CG1 3.26Å; L441-I445 WeakPolarHBondContact O-CG1 3.32Å; L441-I445 PolarHBondContact O-N 3.47Å; N443-I445 PolarHBondContact O-N 2.93Å; I445-A447 PolarHBondContact O-N 3.23Å; I445-F448 PolarHBondContact O-N 3.29Å; I445-I449 HydrophobicContact CG2-CD1 3.77Å; I445-I449 HydrophobicContact CG2-CG1 4.45Å; I445-I449 VanDerWaalsContact O-CG1 3.3Å; I445-I449 WeakPolarHBondContact O-CG1 3.44Å; I445-I449 PolarHBondContact O-N 2.8Å; I445-L555 HydrophobicContact CD1-CB 3.86Å; I445-L555 HydrophobicContact CG1-CB 3.49Å; I445-L555 VanDerWaalsContact CG1-CB 3.49Å; I445-L555 HydrophobicContact CG1-CD1 4.03Å; I445-L555 HydrophobicContact CG1-CG 4.43Å; I445-R559 HydrophobicContact CD1-CB 4.25Å |
| 446 | R | 90.9 | Very high | 89.1 | Confident | 136 Ų | 136 | 40.3 Ų | 40.3 | 51% | 0.513 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -62.1 | -43.4 | 179.1 | -70.6 | 172.9 | 179.7 | -175.8 | -3 | 111.8 | S442 N443 A444 I449 F450 | S442-R446 WeakPolarHBondContact O-CG 3.33Å; S442-R446 PolarHBondContact O-N 3.04Å; N443-R446 PolarHBondContact O-N 2.95Å; A444-R446 VanDerWaalsContact C-N 3.34Å; A444-R446 PolarHBondContact O-N 3.23Å; R446-I449 PolarHBondContact O-N 3.05Å; R446-F450 WeakPolarHBondContact O-CB 3.24Å; R446-F450 PolarHBondContact O-N 3.09Å |
| 447 | A | 91.3 | Very high | 90.3 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.9 | -43.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | I404 M408 N443 A444 I445 F450 T451 | I404-A447 HydrophobicContact CD1-CB 3.94Å; M408-A447 HydrophobicContact CG-CB 4.24Å; N443-A447 WeakPolarHBondContact O-CB 3.43Å; N443-A447 PolarHBondContact O-N 3.36Å; A444-A447 PolarHBondContact O-N 3.28Å; I445-A447 PolarHBondContact O-N 3.23Å; A447-F450 PolarHBondContact O-N 3.48Å; A447-T451 WeakPolarHBondContact O-CB 3.34Å; A447-T451 PolarHBondContact O-N 3.24Å; A447-T451 PolarHBondContact O-OG1 2.86Å |
| 448 | F | 93.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -68.8 | -39.2 | 175.6 | -82.3 | -74.7 | 0 | 0 | 0 | 113.2 | A444 I445 F450 T451 N452 I484 C487 L491 L551 P552 | A444-F448 VanDerWaalsContact O-CD2 3.26Å; A444-F448 WeakPolarHBondContact O-CD2 3.34Å; A444-F448 PolarHBondContact O-N 3.05Å; I445-F448 PolarHBondContact O-N 3.29Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F448-T451 PolarHBondContact O-N 3.29Å; F448-N452 WeakPolarHBondContact O-CB 3.48Å; F448-N452 PolarHBondContact O-N 3.05Å; F448-N452 PolarHBondContact O-ND2 2.78Å; F448-I484 HydrophobicContact CD1-CD1 4.4Å; F448-I484 HydrophobicContact CE1-CD1 4.03Å; F448-C487 HydrophobicContact CD1-CB 4.12Å; F448-C487 HydrophobicContact CD2-CB 4.26Å; F448-C487 HydrophobicContact CE1-CB 3.77Å; F448-C487 HydrophobicContact CE2-CB 3.9Å; F448-C487 HydrophobicContact CG-CB 4.35Å; F448-C487 HydrophobicContact CZ-CB 3.65Å; F448-L491 HydrophobicContact CE2-CB 3.96Å; F448-L491 HydrophobicContact CE2-CD2 3.79Å; F448-L491 HydrophobicContact CE2-CG 4.36Å; F448-L491 HydrophobicContact CZ-CB 4.48Å; F448-L491 HydrophobicContact CZ-CD2 4.08Å; F448-L551 HydrophobicContact CD1-CD2 3.83Å; F448-L551 HydrophobicContact CD2-CD2 4.18Å; F448-L551 HydrophobicContact CE1-CD2 3.66Å; F448-L551 HydrophobicContact CE2-CD2 4.05Å; F448-L551 HydrophobicContact CG-CD2 4.09Å; F448-L551 HydrophobicContact CZ-CD2 3.78Å; F448-P552 HydrophobicContact CB-CG 3.76Å |
| 449 | I | 94.6 | Very high | 92 | Very high | 80 Ų | 80 | 30.5 Ų | 30.5 | 41% | 0.41 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -60.6 | -47.3 | 175.3 | -69.5 | 169.9 | 0 | 0 | 0 | 109.9 | I445 R446 N452 F453 P552 | I445-I449 HydrophobicContact CG2-CD1 3.77Å; I445-I449 HydrophobicContact CG2-CG1 4.45Å; I445-I449 VanDerWaalsContact O-CG1 3.3Å; I445-I449 WeakPolarHBondContact O-CG1 3.44Å; I445-I449 PolarHBondContact O-N 2.8Å; R446-I449 PolarHBondContact O-N 3.05Å; I449-N452 PolarHBondContact O-N 3.02Å; I449-F453 WeakPolarHBondContact O-CB 3.32Å; I449-F453 PolarHBondContact O-N 2.95Å; I449-P552 HydrophobicContact CD1-CB 4.22Å; I449-P552 HydrophobicContact CG1-CB 3.6Å; I449-P552 HydrophobicContact CG1-CG 3.98Å |
| 450 | F | 94.1 | Very high | 92.7 | Very high | 99 Ų | 99 | 33.6 Ų | 33.6 | 43% | 0.434 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.1 | -47.1 | 178.4 | -174.1 | -103.7 | 0 | 0 | 0 | 111.7 | R446 A447 F448 N452 F453 L454 F483 | R446-F450 WeakPolarHBondContact O-CB 3.24Å; R446-F450 PolarHBondContact O-N 3.09Å; A447-F450 PolarHBondContact O-N 3.48Å; F448-F450 VanDerWaalsContact C-N 3.33Å; F450-N452 PolarHBondContact O-N 3.38Å; F450-F453 PolarHBondContact O-N 3Å; F450-L454 HydrophobicContact CD1-CD1 3.95Å; F450-L454 HydrophobicContact CD1-CG 4.42Å; F450-L454 HydrophobicContact CE1-CD1 3.43Å; F450-L454 VanDerWaalsContact CE1-CD1 3.43Å; F450-L454 HydrophobicContact CE1-CG 4.08Å; F450-L454 HydrophobicContact CZ-CD1 3.93Å; F450-L454 HydrophobicContact CZ-CD2 4.29Å; F450-L454 HydrophobicContact CZ-CG 4.24Å; F450-L454 WeakPolarHBondContact O-CG 3.24Å; F450-L454 PolarHBondContact O-N 3.05Å; F450-F483 HydrophobicContact CD1-CD2 4.01Å; F450-F483 AromaticContact CD1-CE2 3.61Å; F450-F483 HydrophobicContact CD1-CE2 3.61Å; F450-F483 HydrophobicContact CE1-CD2 4.19Å; F450-F483 AromaticContact CE1-CE2 3.46Å; F450-F483 HydrophobicContact CE1-CE2 3.46Å; F450-F483 VanDerWaalsContact CE1-CE2 3.46Å; F450-F483 HydrophobicContact CE1-CZ 4.36Å |
| 451 | T | 94.1 | Very high | 93.3 | Very high | 2 Ų | 2 | 31.6 Ų | 31.6 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.9 | -42.7 | 179.1 | -54.8 | 0 | 0 | 0 | 0 | 112.1 | A447 F448 L454 L455 V480 F483 I484 | A447-T451 WeakPolarHBondContact O-CB 3.34Å; A447-T451 PolarHBondContact O-N 3.24Å; A447-T451 PolarHBondContact O-OG1 2.86Å; F448-T451 PolarHBondContact O-N 3.29Å; T451-L454 PolarHBondContact O-N 2.94Å; T451-L455 WeakPolarHBondContact O-CB 3.41Å; T451-L455 PolarHBondContact O-N 3.39Å; T451-V480 HydrophobicContact CG2-CG1 4.32Å; T451-F483 HydrophobicContact CG2-CB 3.84Å; T451-I484 HydrophobicContact CG2-CB 4.37Å; T451-I484 HydrophobicContact CG2-CD1 4.33Å |
| 452 | N | 95.5 | Very high | 93.7 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.005 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -67.5 | -36.4 | 177.2 | -78.4 | -60.3 | 0 | 0 | 0 | 112.5 | F448 I449 F450 L454 L455 V456 G548 F549 | F448-N452 WeakPolarHBondContact O-CB 3.48Å; F448-N452 PolarHBondContact O-N 3.05Å; F448-N452 PolarHBondContact O-ND2 2.78Å; I449-N452 PolarHBondContact O-N 3.02Å; F450-N452 PolarHBondContact O-N 3.38Å; N452-L454 VanDerWaalsContact C-N 3.35Å; N452-L455 WeakPolarHBondContact O-CB 3.43Å; N452-L455 PolarHBondContact O-N 3.02Å; N452-V456 WeakPolarHBondContact O-CG2 3.37Å; N452-V456 PolarHBondContact O-N 3.07Å; N452-G548 PolarHBondContact ND2-O 3.09Å; N452-G548 VanDerWaalsContact OD1-CA 3.3Å; N452-G548 WeakPolarHBondContact OD1-CA 3.08Å; N452-F549 HydrophobicContact CB-CD1 4.21Å; N452-F549 HydrophobicContact CB-CD2 4.35Å; N452-F549 HydrophobicContact CB-CE1 3.81Å; N452-F549 HydrophobicContact CB-CE2 3.95Å; N452-F549 HydrophobicContact CB-CG 4.47Å; N452-F549 HydrophobicContact CB-CZ 3.67Å |
| 453 | F | 96.4 | Very high | 94 | Very high | 108 Ų | 108 | 33.8 Ų | 33.8 | 47% | 0.474 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -62.6 | -43.5 | 174 | -175.2 | -97.3 | 0 | 0 | 0 | 111.5 | I449 F450 L455 V456 M457 | I449-F453 WeakPolarHBondContact O-CB 3.32Å; I449-F453 PolarHBondContact O-N 2.95Å; F450-F453 PolarHBondContact O-N 3Å; F453-L455 VanDerWaalsContact C-N 3.33Å; F453-L455 PolarHBondContact O-N 2.92Å; F453-V456 PolarHBondContact O-N 3.21Å; F453-M457 HydrophobicContact CD1-CG 4.12Å; F453-M457 HydrophobicContact CE1-CE 3.55Å; F453-M457 HydrophobicContact CE1-CG 3.8Å; F453-M457 HydrophobicContact CE2-CE 4.26Å; F453-M457 HydrophobicContact CZ-CE 3.3Å; F453-M457 HydrophobicContact CZ-CG 4.22Å; F453-M457 WeakPolarHBondContact O-CB 3.44Å; F453-M457 WeakPolarHBondContact O-CG 3.27Å; F453-M457 PolarHBondContact O-N 3.44Å |
| 454 | L | 96.2 | Very high | 94.2 | Very high | 21 Ų | 21 | 37.1 Ų | 37.1 | 11% | 0.11 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.2 | -38 | 173.8 | -66.1 | -178 | 0 | 0 | 0 | 112.5 | F450 T451 N452 M457 F458 L476 V479 V480 F483 | F450-L454 HydrophobicContact CD1-CD1 3.95Å; F450-L454 HydrophobicContact CD1-CG 4.42Å; F450-L454 HydrophobicContact CE1-CD1 3.43Å; F450-L454 VanDerWaalsContact CE1-CD1 3.43Å; F450-L454 HydrophobicContact CE1-CG 4.08Å; F450-L454 HydrophobicContact CZ-CD1 3.93Å; F450-L454 HydrophobicContact CZ-CD2 4.29Å; F450-L454 HydrophobicContact CZ-CG 4.24Å; F450-L454 WeakPolarHBondContact O-CG 3.24Å; F450-L454 PolarHBondContact O-N 3.05Å; T451-L454 PolarHBondContact O-N 2.94Å; N452-L454 VanDerWaalsContact C-N 3.35Å; L454-M457 PolarHBondContact O-N 2.9Å; L454-F458 VanDerWaalsContact O-CB 3.31Å; L454-F458 WeakPolarHBondContact O-CB 3.43Å; L454-F458 PolarHBondContact O-N 3.35Å; L454-L476 HydrophobicContact CD2-CD2 3.82Å; L454-V479 HydrophobicContact CD1-CB 4.48Å; L454-V479 HydrophobicContact CD1-CG1 3.56Å; L454-V480 HydrophobicContact CB-CG2 3.56Å; L454-F483 HydrophobicContact CD1-CD2 4.38Å; L454-F483 HydrophobicContact CD1-CE2 4.41Å |
| 455 | L | 96.8 | Very high | 94.3 | Very high | 1 Ų | 1 | 41.9 Ų | 41.9 | 1% | 0.005 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -64.7 | -39.2 | 175.7 | 178.5 | 65.9 | 0 | 0 | 0 | 112.3 | T345 R348 T451 N452 F453 F458 G459 V480 | T345-L455 HydrophobicContact CG2-CD1 4.22Å; T345-L455 HydrophobicContact CG2-CD2 4.1Å; R348-L455 PolarHBondContact NH1-O 3.39Å; T451-L455 WeakPolarHBondContact O-CB 3.41Å; T451-L455 PolarHBondContact O-N 3.39Å; N452-L455 WeakPolarHBondContact O-CB 3.43Å; N452-L455 PolarHBondContact O-N 3.02Å; F453-L455 VanDerWaalsContact C-N 3.33Å; F453-L455 PolarHBondContact O-N 2.92Å; L455-F458 HydrophobicContact CD1-CD1 4.19Å; L455-F458 WeakPolarHBondContact O-CB 3.48Å; L455-G459 PolarHBondContact O-N 3.03Å; L455-G459 VanDerWaalsContact O-N 3.07Å; L455-V480 HydrophobicContact CB-CG1 4.13Å; L455-V480 HydrophobicContact CB-CG2 4.32Å; L455-V480 HydrophobicContact CD1-CG1 4.02Å |
| 456 | V | 96.9 | Very high | 94.2 | Very high | 30 Ų | 30 | 44.4 Ų | 44.4 | 18% | 0.182 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -68.5 | -46 | 174.1 | 169.9 | 0 | 0 | 0 | 0 | 110.8 | N452 F453 F458 G459 V460 L542 L546 F549 | N452-V456 WeakPolarHBondContact O-CG2 3.37Å; N452-V456 PolarHBondContact O-N 3.07Å; F453-V456 PolarHBondContact O-N 3.21Å; V456-F458 VanDerWaalsContact C-N 3.34Å; V456-F458 PolarHBondContact O-N 3.19Å; V456-G459 CarbonylContact O-C 3.6Å; V456-G459 WeakPolarHBondContact O-CA 3.38Å; V456-G459 PolarHBondContact O-N 3.35Å; V456-V460 HydrophobicContact CG1-CG2 4.34Å; V456-V460 WeakPolarHBondContact O-CG2 3.3Å; V456-V460 PolarHBondContact O-N 3.16Å; V456-L542 HydrophobicContact CG1-CD1 4.19Å; V456-L546 HydrophobicContact CG2-CD2 3.76Å; V456-F549 HydrophobicContact CG2-CE2 3.83Å; V456-F549 HydrophobicContact CG2-CZ 4.39Å |
| 457 | M | 96.9 | Very high | 94.2 | Very high | 79 Ų | 79 | 39.2 Ų | 39.2 | 39% | 0.389 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -55.9 | -48.7 | 175 | -81.1 | -75 | -173.7 | 0 | 0 | 111.5 | F453 L454 G459 V460 I461 L476 | F453-M457 HydrophobicContact CD1-CG 4.12Å; F453-M457 HydrophobicContact CE1-CE 3.55Å; F453-M457 HydrophobicContact CE1-CG 3.8Å; F453-M457 HydrophobicContact CE2-CE 4.26Å; F453-M457 HydrophobicContact CZ-CE 3.3Å; F453-M457 HydrophobicContact CZ-CG 4.22Å; F453-M457 WeakPolarHBondContact O-CB 3.44Å; F453-M457 WeakPolarHBondContact O-CG 3.27Å; F453-M457 PolarHBondContact O-N 3.44Å; L454-M457 PolarHBondContact O-N 2.9Å; M457-G459 PolarHBondContact O-N 2.91Å; M457-V460 PolarHBondContact O-N 3.13Å; M457-I461 WeakPolarHBondContact O-CD1 3.41Å; M457-I461 WeakPolarHBondContact O-CG1 3.19Å; M457-I461 PolarHBondContact O-N 3.04Å; M457-L476 HydrophobicContact CB-CD1 4.07Å |
| 458 | F | 97 | Very high | 94.3 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -50.4 | -48.8 | 172.6 | 163.4 | -119.3 | 0 | 0 | 0 | 110.4 | R348 F352 L454 L455 V456 I461 S462 S473 L476 H477 | R348-F458 HydrophobicContact CG-CE1 4.04Å; F352-F458 HydrophobicContact CB-CZ 4.09Å; F352-F458 HydrophobicContact CD1-CZ 4.33Å; F352-F458 AromaticContact CD2-CE2 3.89Å; F352-F458 HydrophobicContact CD2-CE2 3.89Å; F352-F458 AromaticContact CD2-CZ 3.52Å; F352-F458 HydrophobicContact CD2-CZ 3.52Å; F352-F458 HydrophobicContact CE1-CE2 4.49Å; F352-F458 AromaticContact CE2-CE2 3.84Å; F352-F458 HydrophobicContact CE2-CE2 3.84Å; F352-F458 AromaticContact CE2-CZ 3.98Å; F352-F458 HydrophobicContact CE2-CZ 3.98Å; F352-F458 HydrophobicContact CG-CE2 4.24Å; F352-F458 AromaticContact CG-CZ 3.72Å; F352-F458 HydrophobicContact CG-CZ 3.72Å; F352-F458 HydrophobicContact CZ-CE2 4.15Å; L454-F458 VanDerWaalsContact O-CB 3.31Å; L454-F458 WeakPolarHBondContact O-CB 3.43Å; L454-F458 PolarHBondContact O-N 3.35Å; L455-F458 HydrophobicContact CD1-CD1 4.19Å; L455-F458 WeakPolarHBondContact O-CB 3.48Å; V456-F458 VanDerWaalsContact C-N 3.34Å; V456-F458 PolarHBondContact O-N 3.19Å; F458-I461 PolarHBondContact O-N 2.97Å; F458-S462 WeakPolarHBondContact CE2-OG 3.38Å; F458-S462 PolarHBondContact O-N 3.47Å; F458-S462 PolarHBondContact O-OG 2.7Å; F458-S462 VanDerWaalsContact O-OG 3.05Å; F458-S473 VanDerWaalsContact CD2-O 3.29Å; F458-S473 WeakPolarHBondContact CD2-O 3.5Å; F458-L476 HydrophobicContact CB-CB 3.83Å; F458-L476 HydrophobicContact CB-CD1 4.45Å; F458-L476 HydrophobicContact CD2-CB 4.47Å; F458-H477 HydrophobicContact CD2-CB 4.11Å; F458-H477 HydrophobicContact CE2-CB 3.79Å; F458-H477 HydrophobicContact CZ-CB 4.21Å; F458-H477 AromaticContact CZ-CD2 3.92Å |
| 459 | G | 94.8 | Very high | 94.3 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -68.1 | -35.2 | -178.3 | 0 | 0 | 0 | 0 | 0 | 116.9 | L455 V456 M457 L463 | L455-G459 PolarHBondContact O-N 3.03Å; L455-G459 VanDerWaalsContact O-N 3.07Å; V456-G459 CarbonylContact O-C 3.6Å; V456-G459 WeakPolarHBondContact O-CA 3.38Å; V456-G459 PolarHBondContact O-N 3.35Å; M457-G459 PolarHBondContact O-N 2.91Å; G459-L463 WeakPolarHBondContact O-CG 3.46Å |
| 460 | V | 95.9 | Very high | 94.3 | Very high | 70 Ų | 70 | 43.1 Ų | 43.1 | 42% | 0.424 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -68.2 | -43.2 | 174.6 | 172.3 | 0 | 0 | 0 | 0 | 109.9 | V456 M457 S462 L463 L542 | V456-V460 HydrophobicContact CG1-CG2 4.34Å; V456-V460 WeakPolarHBondContact O-CG2 3.3Å; V456-V460 PolarHBondContact O-N 3.16Å; M457-V460 PolarHBondContact O-N 3.13Å; V460-S462 VanDerWaalsContact C-N 3.35Å; V460-S462 PolarHBondContact O-N 3.38Å; V460-L463 WeakPolarHBondContact O-CB 3.27Å; V460-L463 PolarHBondContact O-N 3.16Å; V460-L463 VanDerWaalsContact O-N 3.15Å; V460-L542 HydrophobicContact CG2-CD2 4.13Å |
| 461 | I | 95.5 | Very high | 94.4 | Very high | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.087 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -66.4 | -37.7 | 179.7 | -67.4 | 161.2 | 0 | 0 | 0 | 111.2 | M457 F458 L463 I464 I469 Q470 L472 L476 | M457-I461 WeakPolarHBondContact O-CD1 3.41Å; M457-I461 WeakPolarHBondContact O-CG1 3.19Å; M457-I461 PolarHBondContact O-N 3.04Å; F458-I461 PolarHBondContact O-N 2.97Å; I461-L463 PolarHBondContact O-N 3.17Å; I461-L463 VanDerWaalsContact O-N 3.16Å; I461-I464 WeakPolarHBondContact O-CB 3.42Å; I461-I464 PolarHBondContact O-N 2.91Å; I461-I464 VanDerWaalsContact O-N 3.07Å; I461-I469 HydrophobicContact CG2-CG2 3.63Å; I461-Q470 PolarHBondContact O-NE2 3.5Å; I461-L472 HydrophobicContact CD1-CD2 3.46Å; I461-L472 VanDerWaalsContact CD1-CD2 3.46Å; I461-L472 HydrophobicContact CD1-CG 3.78Å; I461-L472 HydrophobicContact CG1-CD2 4.43Å; I461-L472 HydrophobicContact CG2-CB 4.41Å; I461-L476 HydrophobicContact CD1-CD1 3.33Å |
| 462 | S | 92.8 | Very high | 94.4 | Very high | 13 Ų | 13 | 44.9 Ų | 44.9 | 9% | 0.091 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -13.1 | 174.8 | -63.6 | 0 | 0 | 0 | 0 | 114.5 | F458 V460 | F458-S462 WeakPolarHBondContact CE2-OG 3.38Å; F458-S462 PolarHBondContact O-N 3.47Å; F458-S462 PolarHBondContact O-OG 2.7Å; F458-S462 VanDerWaalsContact O-OG 3.05Å; V460-S462 VanDerWaalsContact C-N 3.35Å; V460-S462 PolarHBondContact O-N 3.38Å |
| 463 | L | 93.1 | Very high | 94.4 | Very high | 41 Ų | 41 | 44.9 Ų | 44.9 | 22% | 0.215 | 24% | 0.241 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.8 | -11.5 | 174.2 | -67.3 | 171.7 | 0 | 0 | 0 | 113.2 | G459 V460 I461 D465 Y535 N538 V539 L542 | G459-L463 WeakPolarHBondContact O-CG 3.46Å; V460-L463 WeakPolarHBondContact O-CB 3.27Å; V460-L463 PolarHBondContact O-N 3.16Å; V460-L463 VanDerWaalsContact O-N 3.15Å; I461-L463 PolarHBondContact O-N 3.17Å; I461-L463 VanDerWaalsContact O-N 3.16Å; L463-D465 PolarHBondContact O-N 3.43Å; L463-Y535 HydrophobicContact CB-CE2 4.42Å; L463-Y535 HydrophobicContact CD2-CD2 3.86Å; L463-Y535 HydrophobicContact CD2-CE2 4.05Å; L463-Y535 HydrophobicContact CD2-CG 4.45Å; L463-Y535 WeakPolarHBondContact CD2-O 3.32Å; L463-N538 HydrophobicContact CD2-CB 3.51Å; L463-N538 HydrophobicContact CG-CB 4.38Å; L463-V539 HydrophobicContact CD1-CG2 4.01Å; L463-V539 HydrophobicContact CD2-CG2 3.65Å; L463-L542 HydrophobicContact CD1-CD2 3.73Å |
| 464 | I | 92.7 | Very high | 94.3 | Very high | 71 Ų | 71 | 39.8 Ų | 39.8 | 36% | 0.364 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -80.2 | 121.7 | -178 | -57.6 | 175.1 | 0 | 0 | 0 | 108.7 | I461 N466 I469 Q470 | I461-I464 WeakPolarHBondContact O-CB 3.42Å; I461-I464 PolarHBondContact O-N 2.91Å; I461-I464 VanDerWaalsContact O-N 3.07Å; I464-N466 HydrophobicContact CG2-CB 3.86Å; I464-N466 PolarHBondContact O-N 3.45Å; I464-I469 HydrophobicContact CB-CG2 4.49Å; I464-I469 HydrophobicContact CD1-CG2 4.24Å; I464-I469 HydrophobicContact CG2-CD1 4.22Å; I464-I469 HydrophobicContact CG2-CG2 4.48Å; I464-Q470 PolarHBondContact O-NE2 3.36Å |
| 465 | D | 89.8 | Confident | 94.3 | Very high | 101 Ų | 101 | 39.9 Ų | 39.9 | 54% | 0.54 | 22% | 0.222 | S | C | . | . | trans | -74.3 | 72.4 | 173.1 | -169.6 | 7.3 | 0 | 0 | 0 | 110.7 | L363 L463 | L363-D465 HydrophobicContact CD2-CB 4.48Å; L363-D465 WeakPolarHBondContact CD2-OD1 3.25Å; L463-D465 PolarHBondContact O-N 3.43Å | ||
| 466 | N | 90.8 | Very high | 94.2 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 33% | 0.332 | 23% | 0.228 | S | C | . | . | trans | -155.9 | 114.6 | 177.8 | -173.9 | -77.4 | 0 | 0 | 0 | 110.3 | I464 P468 I469 Q470 | I464-N466 HydrophobicContact CG2-CB 3.86Å; I464-N466 PolarHBondContact O-N 3.45Å; N466-P468 WeakPolarHBondContact OD1-CD 3.41Å; N466-I469 HydrophobicContact CB-CB 4.08Å; N466-I469 HydrophobicContact CB-CD1 3.89Å; N466-I469 HydrophobicContact CB-CG1 4.22Å; N466-I469 PolarHBondContact O-N 3.3Å; N466-I469 VanDerWaalsContact OD1-CG1 3.32Å; N466-I469 WeakPolarHBondContact OD1-CG1 3.36Å; N466-I469 PolarHBondContact OD1-N 3.13Å; N466-I469 VanDerWaalsContact OD1-N 3.09Å; N466-Q470 PolarHBondContact O-N 2.98Å | ||
| 467 | L | 90 | Very high | 94.1 | Very high | 27 Ų | 27 | 39.5 Ų | 39.5 | 14% | 0.141 | 22% | 0.219 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.9 | -48.6 | -173.1 | -172.2 | 70.4 | 0 | 0 | 0 | 113.4 | I360 L363 V364 Q382 Y386 I469 Q470 | I360-L467 HydrophobicContact CG2-CD1 3.84Å; L363-L467 HydrophobicContact CB-CD1 4.27Å; L363-L467 HydrophobicContact CD1-CD1 4.13Å; V364-L467 HydrophobicContact CG2-CD2 4.06Å; Q382-L467 HydrophobicContact CB-CD2 4.42Å; Q382-L467 HydrophobicContact CG-CD2 4.39Å; Y386-L467 HydrophobicContact CD1-CD1 4.47Å; Y386-L467 HydrophobicContact CD2-CD1 4.17Å; Y386-L467 HydrophobicContact CD2-CD2 4.1Å; Y386-L467 HydrophobicContact CD2-CG 4.14Å; Y386-L467 HydrophobicContact CE1-CD1 4.33Å; Y386-L467 HydrophobicContact CE1-CG 4.05Å; Y386-L467 WeakPolarHBondContact CE1-O 3.42Å; Y386-L467 HydrophobicContact CE2-CD1 4.04Å; Y386-L467 HydrophobicContact CE2-CD2 3.43Å; Y386-L467 VanDerWaalsContact CE2-CD2 3.43Å; Y386-L467 HydrophobicContact CE2-CG 3.5Å; Y386-L467 HydrophobicContact CG-CD1 4.43Å; Y386-L467 VanDerWaalsContact CZ-CG 3.47Å; L467-I469 VanDerWaalsContact C-N 3.3Å; L467-I469 PolarHBondContact O-N 3.41Å; L467-Q470 WeakPolarHBondContact O-CB 3.4Å; L467-Q470 PolarHBondContact O-N 3.4Å |
| 468 | P | 93.1 | Very high | 93.9 | Very high | 83 Ų | 83 | 35.7 Ų | 35.7 | 54% | 0.539 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | -38.6 | 174.9 | -27.9 | 33.1 | 0 | 0 | 0 | 114.8 | Y386 N466 Q470 V471 | Y386-P468 WeakPolarHBondContact OH-CA 3.43Å; N466-P468 WeakPolarHBondContact OD1-CD 3.41Å; P468-Q470 PolarHBondContact O-N 3.31Å; P468-V471 WeakPolarHBondContact O-CG2 3.14Å; P468-V471 PolarHBondContact O-N 3Å |
| 469 | I | 94.1 | Very high | 93.7 | Very high | 67 Ų | 67 | 36.9 Ų | 36.9 | 34% | 0.344 | 21% | 0.207 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -25.6 | 179.2 | -73.8 | 174.3 | 0 | 0 | 0 | 111.5 | I461 I464 N466 L467 V471 L472 | I461-I469 HydrophobicContact CG2-CG2 3.63Å; I464-I469 HydrophobicContact CB-CG2 4.49Å; I464-I469 HydrophobicContact CD1-CG2 4.24Å; I464-I469 HydrophobicContact CG2-CD1 4.22Å; I464-I469 HydrophobicContact CG2-CG2 4.48Å; N466-I469 HydrophobicContact CB-CB 4.08Å; N466-I469 HydrophobicContact CB-CD1 3.89Å; N466-I469 HydrophobicContact CB-CG1 4.22Å; N466-I469 PolarHBondContact O-N 3.3Å; N466-I469 VanDerWaalsContact OD1-CG1 3.32Å; N466-I469 WeakPolarHBondContact OD1-CG1 3.36Å; N466-I469 PolarHBondContact OD1-N 3.13Å; N466-I469 VanDerWaalsContact OD1-N 3.09Å; L467-I469 VanDerWaalsContact C-N 3.3Å; L467-I469 PolarHBondContact O-N 3.41Å; I469-V471 PolarHBondContact O-N 3.47Å; I469-L472 WeakPolarHBondContact O-CB 3.47Å; I469-L472 PolarHBondContact O-N 3.43Å |
| 470 | Q | 93.9 | Very high | 93.6 | Very high | 12 Ų | 12 | 36.9 Ų | 36.9 | 6% | 0.056 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -64 | -19.6 | 177.3 | -63.5 | -54 | -32.6 | 0 | 0 | 113.6 | L363 I461 I464 N466 L467 P468 L472 S473 F474 | L363-Q470 HydrophobicContact CD1-CG 3.8Å; I461-Q470 PolarHBondContact O-NE2 3.5Å; I464-Q470 PolarHBondContact O-NE2 3.36Å; N466-Q470 PolarHBondContact O-N 2.98Å; L467-Q470 WeakPolarHBondContact O-CB 3.4Å; L467-Q470 PolarHBondContact O-N 3.4Å; P468-Q470 PolarHBondContact O-N 3.31Å; Q470-L472 PolarHBondContact O-N 3.03Å; Q470-S473 PolarHBondContact O-N 3.33Å; Q470-S473 PolarHBondContact O-OG 3.09Å; Q470-S473 PolarHBondContact OE1-OG 2.78Å; Q470-F474 HydrophobicContact CB-CE1 4.28Å; Q470-F474 HydrophobicContact CB-CZ 4.37Å; Q470-F474 VanDerWaalsContact O-CD1 3.24Å; Q470-F474 WeakPolarHBondContact O-CD1 3.49Å; Q470-F474 WeakPolarHBondContact O-CG 3.35Å; Q470-F474 PolarHBondContact O-N 3.48Å |
| 471 | V | 95.3 | Very high | 93.4 | Very high | 43 Ų | 43 | 33.8 Ų | 33.8 | 26% | 0.261 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -58.9 | -33.9 | 170.8 | -179.2 | 0 | 0 | 0 | 0 | 111.3 | Y386 I389 P468 I469 F474 A475 | Y386-V471 HydrophobicContact CD1-CG2 4.25Å; Y386-V471 HydrophobicContact CE1-CG2 3.71Å; I389-V471 HydrophobicContact CD1-CG2 4.4Å; I389-V471 HydrophobicContact CG2-CG1 4.07Å; I389-V471 HydrophobicContact CG2-CG2 4.45Å; P468-V471 WeakPolarHBondContact O-CG2 3.14Å; P468-V471 PolarHBondContact O-N 3Å; I469-V471 PolarHBondContact O-N 3.47Å; V471-F474 WeakPolarHBondContact O-CB 3.09Å; V471-F474 PolarHBondContact O-N 3.49Å; V471-A475 PolarHBondContact O-N 3.11Å; V471-A475 VanDerWaalsContact O-N 3.16Å |
| 472 | L | 95.1 | Very high | 92.9 | Very high | 96 Ų | 96 | 33 Ų | 33 | 50% | 0.503 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -70.2 | -35.6 | 175.3 | -174.7 | 60.5 | 0 | 0 | 0 | 111.7 | I461 I469 Q470 F474 A475 L476 | I461-L472 HydrophobicContact CD1-CD2 3.46Å; I461-L472 VanDerWaalsContact CD1-CD2 3.46Å; I461-L472 HydrophobicContact CD1-CG 3.78Å; I461-L472 HydrophobicContact CG1-CD2 4.43Å; I461-L472 HydrophobicContact CG2-CB 4.41Å; I469-L472 WeakPolarHBondContact O-CB 3.47Å; I469-L472 PolarHBondContact O-N 3.43Å; Q470-L472 PolarHBondContact O-N 3.03Å; L472-F474 VanDerWaalsContact C-N 3.3Å; L472-F474 PolarHBondContact O-N 3.45Å; L472-A475 PolarHBondContact O-N 2.94Å; L472-L476 HydrophobicContact CG-CD1 4.12Å; L472-L476 VanDerWaalsContact O-CG 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.24Å; L472-L476 PolarHBondContact O-N 3.49Å |
| 473 | S | 95.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -65.2 | -36.6 | 174.9 | 78.5 | 0 | 0 | 0 | 0 | 111.1 | F458 Q470 L476 H477 | F458-S473 VanDerWaalsContact CD2-O 3.29Å; F458-S473 WeakPolarHBondContact CD2-O 3.5Å; Q470-S473 PolarHBondContact O-N 3.33Å; Q470-S473 PolarHBondContact O-OG 3.09Å; Q470-S473 PolarHBondContact OE1-OG 2.78Å; S473-L476 PolarHBondContact O-N 2.97Å; S473-H477 VanDerWaalsContact O-CB 3.27Å; S473-H477 WeakPolarHBondContact O-CB 3.47Å; S473-H477 PolarHBondContact O-N 2.99Å |
| 474 | F | 95.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.009 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -62.2 | -44.5 | 174.2 | -59.9 | -9.8 | 0 | 0 | 0 | 112.6 | F352 M356 I360 Y386 I389 F390 Q470 V471 L472 T478 | F352-F474 AromaticContact CE1-CD1 3.88Å; F352-F474 HydrophobicContact CE1-CD1 3.88Å; F352-F474 HydrophobicContact CE1-CE1 4.1Å; F352-F474 AromaticContact CZ-CD1 3.73Å; F352-F474 HydrophobicContact CZ-CD1 3.73Å; F352-F474 AromaticContact CZ-CE1 3.74Å; F352-F474 HydrophobicContact CZ-CE1 3.74Å; M356-F474 HydrophobicContact CG-CE1 4.35Å; M356-F474 HydrophobicContact SD-CE1 4.16Å; M356-F474 HydrophobicContact SD-CZ 4.32Å; I360-F474 HydrophobicContact CD1-CZ 4.15Å; Y386-F474 AromaticContact CD1-CE2 3.69Å; Y386-F474 HydrophobicContact CD1-CE2 3.69Å; Y386-F474 AromaticContact CD1-CZ 3.99Å; Y386-F474 HydrophobicContact CD1-CZ 3.99Å; Y386-F474 HydrophobicContact CG-CE2 4.35Å; Y386-F474 WeakPolarHBondContact O-CE2 3.35Å; I389-F474 HydrophobicContact CG2-CD2 4.09Å; F390-F474 HydrophobicContact CB-CD2 3.83Å; F390-F474 HydrophobicContact CB-CE2 4.03Å; F390-F474 HydrophobicContact CB-CG 4.11Å; F390-F474 HydrophobicContact CD2-CB 3.75Å; F390-F474 AromaticContact CD2-CD1 3.79Å; F390-F474 HydrophobicContact CD2-CD1 3.79Å; F390-F474 HydrophobicContact CD2-CD2 4.29Å; F390-F474 AromaticContact CD2-CG 3.69Å; F390-F474 HydrophobicContact CD2-CG 3.69Å; F390-F474 HydrophobicContact CG-CG 4.38Å; Q470-F474 HydrophobicContact CB-CE1 4.28Å; Q470-F474 HydrophobicContact CB-CZ 4.37Å; Q470-F474 VanDerWaalsContact O-CD1 3.24Å; Q470-F474 WeakPolarHBondContact O-CD1 3.49Å; Q470-F474 WeakPolarHBondContact O-CG 3.35Å; Q470-F474 PolarHBondContact O-N 3.48Å; V471-F474 WeakPolarHBondContact O-CB 3.09Å; V471-F474 PolarHBondContact O-N 3.49Å; L472-F474 VanDerWaalsContact C-N 3.3Å; L472-F474 PolarHBondContact O-N 3.45Å; F474-T478 WeakPolarHBondContact O-CB 3.47Å; F474-T478 PolarHBondContact O-N 3.46Å; F474-T478 VanDerWaalsContact O-N 3.08Å; F474-T478 PolarHBondContact O-OG1 2.73Å |
| 475 | A | 94.6 | Very high | 92 | Very high | 23 Ų | 23 | 29.8 Ų | 29.8 | 19% | 0.19 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -46.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V471 L472 T478 V479 | V471-A475 PolarHBondContact O-N 3.11Å; V471-A475 VanDerWaalsContact O-N 3.16Å; L472-A475 PolarHBondContact O-N 2.94Å; A475-T478 PolarHBondContact O-N 2.93Å; A475-V479 VanDerWaalsContact O-CG2 3.3Å; A475-V479 WeakPolarHBondContact O-CG2 3.32Å; A475-V479 PolarHBondContact O-N 3.39Å |
| 476 | L | 95.4 | Very high | 91.6 | Very high | 22 Ų | 22 | 25.6 Ų | 25.6 | 12% | 0.115 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.9 | -42.8 | 179.1 | -69.6 | 168.3 | 0 | 0 | 0 | 112.3 | L454 M457 F458 I461 L472 S473 T478 V479 V480 | L454-L476 HydrophobicContact CD2-CD2 3.82Å; M457-L476 HydrophobicContact CB-CD1 4.07Å; F458-L476 HydrophobicContact CB-CB 3.83Å; F458-L476 HydrophobicContact CB-CD1 4.45Å; F458-L476 HydrophobicContact CD2-CB 4.47Å; I461-L476 HydrophobicContact CD1-CD1 3.33Å; L472-L476 HydrophobicContact CG-CD1 4.12Å; L472-L476 VanDerWaalsContact O-CG 3.31Å; L472-L476 WeakPolarHBondContact O-CG 3.24Å; L472-L476 PolarHBondContact O-N 3.49Å; S473-L476 PolarHBondContact O-N 2.97Å; L476-T478 VanDerWaalsContact C-N 3.3Å; L476-T478 PolarHBondContact O-N 2.95Å; L476-V479 PolarHBondContact O-N 2.89Å; L476-V480 WeakPolarHBondContact O-CB 3.25Å; L476-V480 VanDerWaalsContact O-CG2 3.23Å; L476-V480 WeakPolarHBondContact O-CG2 3.41Å; L476-V480 PolarHBondContact O-N 2.97Å |
| 477 | H | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 22.7 Ų | 22.7 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -52.5 | -51 | 172.9 | 173.8 | -76.8 | 0 | 0 | 0 | 110.9 | L349 F352 F390 F458 S473 V479 V480 R481 | L349-H477 WeakPolarHBondContact CD2-CD2 3.13Å; L349-H477 PolarHBondContact O-NE2 2.85Å; F352-H477 AromaticContact CD1-CD2 3.56Å; F352-H477 AromaticContact CD1-NE2 3.97Å; F352-H477 AromaticContact CG-CD2 3.97Å; F390-H477 AromaticContact CE2-ND1 3.73Å; F390-H477 AromaticContact CZ-CE1 3.72Å; F390-H477 AromaticContact CZ-ND1 3.8Å; F458-H477 HydrophobicContact CD2-CB 4.11Å; F458-H477 HydrophobicContact CE2-CB 3.79Å; F458-H477 HydrophobicContact CZ-CB 4.21Å; F458-H477 AromaticContact CZ-CD2 3.92Å; S473-H477 VanDerWaalsContact O-CB 3.27Å; S473-H477 WeakPolarHBondContact O-CB 3.47Å; S473-H477 PolarHBondContact O-N 2.99Å; H477-V479 PolarHBondContact O-N 2.92Å; H477-V480 PolarHBondContact O-N 3.49Å; H477-R481 WeakPolarHBondContact O-CB 3.49Å; H477-R481 PolarHBondContact O-N 2.86Å |
| 478 | T | 92.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -60 | -46.5 | -178.9 | -57.3 | 0 | 0 | 0 | 0 | 111.6 | M393 Q394 L396 C397 F474 A475 L476 G482 | M393-T478 WeakPolarHBondContact O-CG2 3.37Å; Q394-T478 PolarHBondContact NE2-OG1 3.36Å; L396-T478 HydrophobicContact CB-CG2 4.22Å; C397-T478 WeakPolarHBondContact SG-CG2 3.4Å; C397-T478 PolarHBondContact SG-O 3.07Å; F474-T478 WeakPolarHBondContact O-CB 3.47Å; F474-T478 PolarHBondContact O-N 3.46Å; F474-T478 VanDerWaalsContact O-N 3.08Å; F474-T478 PolarHBondContact O-OG1 2.73Å; A475-T478 PolarHBondContact O-N 2.93Å; L476-T478 VanDerWaalsContact C-N 3.3Å; L476-T478 PolarHBondContact O-N 2.95Å; T478-G482 PolarHBondContact O-N 3.32Å |
| 479 | V | 92.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 18.4 Ų | 18.4 | 15% | 0.145 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -63.6 | -49.1 | 179.4 | 176.5 | 0 | 0 | 0 | 0 | 110.9 | L396 T400 L454 A475 L476 H477 R481 G482 F483 | L396-V479 HydrophobicContact CD2-CG2 4.16Å; T400-V479 HydrophobicContact CG2-CG2 4.01Å; L454-V479 HydrophobicContact CD1-CB 4.48Å; L454-V479 HydrophobicContact CD1-CG1 3.56Å; A475-V479 VanDerWaalsContact O-CG2 3.3Å; A475-V479 WeakPolarHBondContact O-CG2 3.32Å; A475-V479 PolarHBondContact O-N 3.39Å; L476-V479 PolarHBondContact O-N 2.89Å; H477-V479 PolarHBondContact O-N 2.92Å; V479-R481 VanDerWaalsContact C-N 3.3Å; V479-R481 PolarHBondContact O-N 3.17Å; V479-G482 PolarHBondContact O-N 3.41Å; V479-F483 HydrophobicContact CG1-CD1 3.96Å; V479-F483 HydrophobicContact CG1-CD2 4.17Å; V479-F483 HydrophobicContact CG1-CE1 3.81Å; V479-F483 HydrophobicContact CG1-CE2 4.05Å; V479-F483 HydrophobicContact CG1-CG 4.15Å; V479-F483 HydrophobicContact CG1-CZ 3.85Å; V479-F483 WeakPolarHBondContact O-CB 3.34Å; V479-F483 WeakPolarHBondContact O-CD1 3.5Å; V479-F483 WeakPolarHBondContact O-CG 3.25Å; V479-F483 PolarHBondContact O-N 2.77Å |
| 480 | V | 94.3 | Very high | 90 | Very high | 0 Ų | 0 | 16.4 Ų | 16.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60 | -42.2 | -178.6 | 171.5 | 0 | 0 | 0 | 0 | 111.1 | T345 L349 T451 L454 L455 L476 H477 G482 F483 I484 | T345-V480 HydrophobicContact CG2-CG1 3.95Å; L349-V480 HydrophobicContact CD1-CG1 4.5Å; L349-V480 HydrophobicContact CD2-CG1 4.43Å; T451-V480 HydrophobicContact CG2-CG1 4.32Å; L454-V480 HydrophobicContact CB-CG2 3.56Å; L455-V480 HydrophobicContact CB-CG1 4.13Å; L455-V480 HydrophobicContact CB-CG2 4.32Å; L455-V480 HydrophobicContact CD1-CG1 4.02Å; L476-V480 WeakPolarHBondContact O-CB 3.25Å; L476-V480 VanDerWaalsContact O-CG2 3.23Å; L476-V480 WeakPolarHBondContact O-CG2 3.41Å; L476-V480 PolarHBondContact O-N 2.97Å; H477-V480 PolarHBondContact O-N 3.49Å; V480-G482 PolarHBondContact O-N 3.48Å; V480-F483 PolarHBondContact O-N 3.38Å; V480-I484 PolarHBondContact O-N 3.4Å |
| 481 | R | 89.9 | Confident | 89.7 | Confident | 6 Ų | 6 | 15.9 Ų | 15.9 | 2% | 0.023 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -58.9 | -46.7 | 177.4 | -179 | 175.8 | 163.3 | -119.8 | -14.9 | 112.5 | A221 L349 H477 V479 F483 H485 | A221-R481 PolarHBondContact O-NH1 3.22Å; A221-R481 PolarHBondContact O-NH2 2.87Å; L349-R481 HydrophobicContact CD1-CB 3.84Å; L349-R481 HydrophobicContact CD1-CG 4.24Å; L349-R481 HydrophobicContact CD2-CB 4.49Å; H477-R481 WeakPolarHBondContact O-CB 3.49Å; H477-R481 PolarHBondContact O-N 2.86Å; V479-R481 VanDerWaalsContact C-N 3.3Å; V479-R481 PolarHBondContact O-N 3.17Å; R481-F483 VanDerWaalsContact C-N 3.32Å; R481-H485 PolarHBondContact O-CD2 3.41Å |
| 482 | G | 85.6 | Confident | 89.2 | Confident | 1 Ų | 1 | 13.9 Ų | 13.9 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.6 | -35 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113 | C401 T478 V479 V480 S486 | C401-G482 VanDerWaalsContact SG-CA 3.58Å; T478-G482 PolarHBondContact O-N 3.32Å; V479-G482 PolarHBondContact O-N 3.41Å; V480-G482 PolarHBondContact O-N 3.48Å; G482-S486 PolarHBondContact O-OG 3.41Å; G482-S486 VanDerWaalsContact O-OG 3.06Å |
| 483 | F | 89.4 | Confident | 88.3 | Confident | 3 Ų | 3 | 12 Ų | 12 | 1% | 0.013 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -74.9 | -43.2 | -173.8 | -82.3 | 28.7 | 0 | 0 | 0 | 112.8 | T400 I404 F450 T451 L454 V479 V480 R481 H485 S486 C487 | T400-F483 VanDerWaalsContact O-CE1 3.28Å; T400-F483 WeakPolarHBondContact O-CE1 3.28Å; I404-F483 HydrophobicContact CB-CD1 3.74Å; I404-F483 HydrophobicContact CB-CD2 4.25Å; I404-F483 HydrophobicContact CB-CE1 3.67Å; I404-F483 HydrophobicContact CB-CE2 4.16Å; I404-F483 HydrophobicContact CB-CG 4.04Å; I404-F483 HydrophobicContact CB-CZ 3.91Å; I404-F483 HydrophobicContact CD1-CD2 3.72Å; I404-F483 HydrophobicContact CD1-CE2 3.75Å; I404-F483 HydrophobicContact CD1-CG 4.22Å; I404-F483 HydrophobicContact CD1-CZ 4.32Å; I404-F483 HydrophobicContact CG1-CB 4.38Å; I404-F483 HydrophobicContact CG1-CD1 4.21Å; I404-F483 HydrophobicContact CG1-CD2 4.01Å; I404-F483 HydrophobicContact CG1-CE1 4.46Å; I404-F483 HydrophobicContact CG1-CE2 4.24Å; I404-F483 HydrophobicContact CG1-CG 3.98Å; I404-F483 HydrophobicContact CG1-CZ 4.5Å; I404-F483 HydrophobicContact CG2-CD1 3.85Å; I404-F483 HydrophobicContact CG2-CE1 4.05Å; I404-F483 HydrophobicContact CG2-CG 4.39Å; F450-F483 HydrophobicContact CD1-CD2 4.01Å; F450-F483 AromaticContact CD1-CE2 3.61Å; F450-F483 HydrophobicContact CD1-CE2 3.61Å; F450-F483 HydrophobicContact CE1-CD2 4.19Å; F450-F483 AromaticContact CE1-CE2 3.46Å; F450-F483 HydrophobicContact CE1-CE2 3.46Å; F450-F483 VanDerWaalsContact CE1-CE2 3.46Å; F450-F483 HydrophobicContact CE1-CZ 4.36Å; T451-F483 HydrophobicContact CG2-CB 3.84Å; L454-F483 HydrophobicContact CD1-CD2 4.38Å; L454-F483 HydrophobicContact CD1-CE2 4.41Å; V479-F483 HydrophobicContact CG1-CD1 3.96Å; V479-F483 HydrophobicContact CG1-CD2 4.17Å; V479-F483 HydrophobicContact CG1-CE1 3.81Å; V479-F483 HydrophobicContact CG1-CE2 4.05Å; V479-F483 HydrophobicContact CG1-CG 4.15Å; V479-F483 HydrophobicContact CG1-CZ 3.85Å; V479-F483 WeakPolarHBondContact O-CB 3.34Å; V479-F483 WeakPolarHBondContact O-CD1 3.5Å; V479-F483 WeakPolarHBondContact O-CG 3.25Å; V479-F483 PolarHBondContact O-N 2.77Å; V480-F483 PolarHBondContact O-N 3.38Å; R481-F483 VanDerWaalsContact C-N 3.32Å; F483-H485 PolarHBondContact O-N 2.85Å; F483-S486 PolarHBondContact O-N 3.44Å; F483-C487 WeakPolarHBondContact O-CB 3.3Å; F483-C487 PolarHBondContact O-N 3.26Å; F483-C487 PolarHBondContact O-SG 3.29Å |
| 484 | I | 88.8 | Confident | 87.4 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.6 | -42.8 | -173.1 | -166.8 | 64.4 | 0 | 0 | 0 | 112.3 | V341 M342 T345 F448 T451 V480 C487 C488 | V341-I484 HydrophobicContact CG1-CD1 4.12Å; M342-I484 HydrophobicContact CE-CG1 3.86Å; M342-I484 HydrophobicContact CE-CG2 4.36Å; M342-I484 HydrophobicContact SD-CG1 3.83Å; M342-I484 HydrophobicContact SD-CG2 4.16Å; T345-I484 HydrophobicContact CG2-CB 4.27Å; T345-I484 HydrophobicContact CG2-CG1 4.07Å; T345-I484 HydrophobicContact CG2-CG2 4.27Å; F448-I484 HydrophobicContact CD1-CD1 4.4Å; F448-I484 HydrophobicContact CE1-CD1 4.03Å; T451-I484 HydrophobicContact CG2-CB 4.37Å; T451-I484 HydrophobicContact CG2-CD1 4.33Å; V480-I484 PolarHBondContact O-N 3.4Å; I484-C487 PolarHBondContact O-N 3.49Å; I484-C488 PolarHBondContact O-N 3.06Å |
| 485 | H | 82.4 | Confident | 86.8 | Confident | 53 Ų | 53 | 15.2 Ų | 15.2 | 25% | 0.245 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 177.3 | -71.4 | -62.2 | 0 | 0 | 0 | 111.9 | R481 F483 G489 | R481-H485 PolarHBondContact O-CD2 3.41Å; F483-H485 PolarHBondContact O-N 2.85Å; H485-G489 PolarHBondContact O-N 3.04Å; H485-G489 VanDerWaalsContact O-N 3.08Å |
| 486 | S | 81.6 | Confident | 86.2 | Confident | 14 Ų | 14 | 15.3 Ų | 15.3 | 10% | 0.098 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.7 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | I404 G482 F483 C488 G489 G490 | I404-S486 VanDerWaalsContact CG2-CB 3.44Å; G482-S486 PolarHBondContact O-OG 3.41Å; G482-S486 VanDerWaalsContact O-OG 3.06Å; F483-S486 PolarHBondContact O-N 3.44Å; S486-C488 PolarHBondContact O-N 3.28Å; S486-G489 PolarHBondContact O-N 3.03Å; S486-G490 PolarHBondContact O-N 2.97Å |
| 487 | C | 87.3 | Confident | 85.2 | Confident | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.3 | -46.3 | 179.3 | -70.5 | 0 | 0 | 0 | 0 | 112.4 | M408 F448 F483 I484 L491 | M408-C487 WeakPolarHBondContact CE-O 3.3Å; F448-C487 HydrophobicContact CD1-CB 4.12Å; F448-C487 HydrophobicContact CD2-CB 4.26Å; F448-C487 HydrophobicContact CE1-CB 3.77Å; F448-C487 HydrophobicContact CE2-CB 3.9Å; F448-C487 HydrophobicContact CG-CB 4.35Å; F448-C487 HydrophobicContact CZ-CB 3.65Å; F483-C487 WeakPolarHBondContact O-CB 3.3Å; F483-C487 PolarHBondContact O-N 3.26Å; F483-C487 PolarHBondContact O-SG 3.29Å; I484-C487 PolarHBondContact O-N 3.49Å; C487-L491 WeakPolarHBondContact O-CB 3.48Å; C487-L491 PolarHBondContact O-N 2.9Å |
| 488 | C | 86.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 19.5 Ų | 19.5 | 1% | 0.007 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -65.5 | -42.8 | 177.4 | -69.8 | 0 | 0 | 0 | 0 | 111.9 | M342 I484 S486 L491 Y492 Q508 | M342-C488 HydrophobicContact CE-CB 3.99Å; M342-C488 VanDerWaalsContact CE-SG 3.58Å; I484-C488 PolarHBondContact O-N 3.06Å; S486-C488 PolarHBondContact O-N 3.28Å; C488-L491 PolarHBondContact O-N 3.08Å; C488-Y492 VanDerWaalsContact O-CG 3.23Å; C488-Y492 PolarHBondContact O-N 3.29Å; C488-Q508 PolarHBondContact SG-OE1 2.89Å |
| 489 | G | 80.9 | Confident | 82.8 | Confident | 19 Ų | 19 | 26 Ų | 26 | 20% | 0.196 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -56.1 | -54.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H485 S486 L491 Y492 A493 F501 | H485-G489 PolarHBondContact O-N 3.04Å; H485-G489 VanDerWaalsContact O-N 3.08Å; S486-G489 PolarHBondContact O-N 3.03Å; G489-L491 VanDerWaalsContact C-N 3.33Å; G489-L491 PolarHBondContact O-N 3.39Å; G489-Y492 PolarHBondContact O-N 3.23Å; G489-Y492 VanDerWaalsContact O-N 3.16Å; G489-A493 PolarHBondContact O-N 3.46Å; G489-F501 WeakPolarHBondContact O-CE2 3.25Å |
| 490 | G | 79.4 | Confident | 82 | Confident | 26 Ų | 26 | 25.7 Ų | 25.7 | 27% | 0.268 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -70.2 | -26.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 114 | S486 A494 | S486-G490 PolarHBondContact O-N 2.97Å; G490-A494 WeakPolarHBondContact O-CB 3.47Å; G490-A494 PolarHBondContact O-N 3.34Å; G490-A494 VanDerWaalsContact O-N 3.09Å |
| 491 | L | 86.3 | Confident | 81.2 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -45 | 169 | 178 | 65.2 | 0 | 0 | 0 | 111.2 | I334 L441 A444 F448 C487 C488 G489 A493 A494 V495 L551 L555 | I334-L491 HydrophobicContact CG2-CD1 4.32Å; I334-L491 HydrophobicContact CG2-CD2 4.04Å; I334-L491 HydrophobicContact CG2-CG 4.37Å; L441-L491 HydrophobicContact CD1-CD1 4.26Å; A444-L491 HydrophobicContact CB-CD1 4.17Å; F448-L491 HydrophobicContact CE2-CB 3.96Å; F448-L491 HydrophobicContact CE2-CD2 3.79Å; F448-L491 HydrophobicContact CE2-CG 4.36Å; F448-L491 HydrophobicContact CZ-CB 4.48Å; F448-L491 HydrophobicContact CZ-CD2 4.08Å; C487-L491 WeakPolarHBondContact O-CB 3.48Å; C487-L491 PolarHBondContact O-N 2.9Å; C488-L491 PolarHBondContact O-N 3.08Å; G489-L491 VanDerWaalsContact C-N 3.33Å; G489-L491 PolarHBondContact O-N 3.39Å; L491-A493 VanDerWaalsContact C-N 3.34Å; L491-A493 PolarHBondContact O-N 2.88Å; L491-A494 WeakPolarHBondContact O-CB 3.48Å; L491-A494 PolarHBondContact O-N 2.83Å; L491-A494 VanDerWaalsContact O-N 3.08Å; L491-V495 HydrophobicContact CD1-CG2 3.86Å; L491-V495 PolarHBondContact O-N 2.94Å; L491-L551 HydrophobicContact CD2-CD2 4.44Å; L491-L555 HydrophobicContact CD1-CD1 3.9Å; L491-L555 HydrophobicContact CD1-CD2 4.34Å; L491-L555 HydrophobicContact CD2-CD1 4.5Å |
| 492 | Y | 84.8 | Confident | 80.5 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.008 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.9 | -39.6 | 179.7 | -63.3 | -15.7 | 0 | 0 | 0 | 112 | F335 S338 C488 G489 A494 V495 Y496 L504 Q508 | F335-Y492 AromaticContact CD2-CE1 3.93Å; F335-Y492 HydrophobicContact CD2-CE1 3.93Å; F335-Y492 AromaticContact CD2-CZ 3.77Å; F335-Y492 WeakPolarHBondContact CD2-OH 3.22Å; F335-Y492 HydrophobicContact CE2-CE1 4.46Å; F335-Y492 HydrophobicContact CE2-CE2 4.39Å; F335-Y492 AromaticContact CE2-CZ 3.84Å; F335-Y492 VanDerWaalsContact CE2-OH 3.29Å; F335-Y492 WeakPolarHBondContact CE2-OH 3.44Å; S338-Y492 WeakPolarHBondContact OG-CE1 3.3Å; S338-Y492 PolarHBondContact OG-OH 3.47Å; C488-Y492 VanDerWaalsContact O-CG 3.23Å; C488-Y492 PolarHBondContact O-N 3.29Å; G489-Y492 PolarHBondContact O-N 3.23Å; G489-Y492 VanDerWaalsContact O-N 3.16Å; Y492-A494 PolarHBondContact O-N 3.18Å; Y492-V495 PolarHBondContact O-N 3.33Å; Y492-Y496 HydrophobicContact CD1-CD2 4.11Å; Y492-Y496 HydrophobicContact CD1-CE2 4.04Å; Y492-Y496 PolarHBondContact O-N 3.45Å; Y492-L504 HydrophobicContact CD2-CB 4.21Å; Y492-L504 HydrophobicContact CE2-CB 4.25Å; Y492-Q508 HydrophobicContact CE2-CB 4.43Å; Y492-Q508 PolarHBondContact OH-OE1 3.44Å |
| 493 | A | 76.1 | Confident | 80.4 | Confident | 55 Ų | 55 | 32 Ų | 32 | 46% | 0.455 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -68.1 | -15 | 173.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | G489 L491 F501 | G489-A493 PolarHBondContact O-N 3.46Å; L491-A493 VanDerWaalsContact C-N 3.34Å; L491-A493 PolarHBondContact O-N 2.88Å; A493-F501 HydrophobicContact CB-CD2 4.48Å; A493-F501 HydrophobicContact CB-CE2 4.31Å |
| 494 | A | 77.3 | Confident | 80.2 | Confident | 17 Ų | 17 | 31.9 Ų | 31.9 | 14% | 0.14 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -91.9 | -38.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | K440 G490 L491 Y492 | K440-A494 HydrophobicContact CB-CB 3.67Å; K440-A494 HydrophobicContact CD-CB 4.14Å; G490-A494 WeakPolarHBondContact O-CB 3.47Å; G490-A494 PolarHBondContact O-N 3.34Å; G490-A494 VanDerWaalsContact O-N 3.09Å; L491-A494 WeakPolarHBondContact O-CB 3.48Å; L491-A494 PolarHBondContact O-N 2.83Å; L491-A494 VanDerWaalsContact O-N 3.08Å; Y492-A494 PolarHBondContact O-N 3.18Å |
| 495 | V | 82.1 | Confident | 80 | Confident | 54 Ų | 54 | 33.5 Ų | 33.5 | 33% | 0.327 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -101.2 | -34.5 | -168.6 | 177.9 | 0 | 0 | 0 | 0 | 112.7 | I334 L441 L491 Y492 | I334-V495 HydrophobicContact CD1-CG1 3.81Å; I334-V495 HydrophobicContact CD1-CG2 4.42Å; L441-V495 HydrophobicContact CD1-CG2 4.3Å; L491-V495 HydrophobicContact CD1-CG2 3.86Å; L491-V495 PolarHBondContact O-N 2.94Å; Y492-V495 PolarHBondContact O-N 3.33Å |
| 496 | Y | 82.1 | Confident | 80.3 | Confident | 25 Ų | 25 | 31 Ų | 31 | 10% | 0.098 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -110.3 | 155.8 | -171 | -60.8 | -79.4 | 0 | 0 | 0 | 112.8 | S332 F335 Y492 L504 | S332-Y496 WeakPolarHBondContact CB-OH 3.32Å; S332-Y496 PolarHBondContact OG-OH 3.19Å; F335-Y496 WeakPolarHBondContact CB-OH 3.44Å; F335-Y496 PolarHBondContact N-OH 3.35Å; Y492-Y496 HydrophobicContact CD1-CD2 4.11Å; Y492-Y496 HydrophobicContact CD1-CE2 4.04Å; Y492-Y496 PolarHBondContact O-N 3.45Å; Y496-L504 HydrophobicContact CD1-CD1 3.81Å; Y496-L504 HydrophobicContact CD2-CD1 3.54Å; Y496-L504 HydrophobicContact CE1-CD1 4.26Å; Y496-L504 HydrophobicContact CE2-CD1 4.05Å; Y496-L504 HydrophobicContact CG-CD1 3.42Å; Y496-L504 VanDerWaalsContact CG-CD1 3.42Å |
| 497 | P | 73.9 | Confident | 80.7 | Confident | 59 Ų | 59 | 33.9 Ų | 33.9 | 38% | 0.383 | 21% | 0.214 | S | C | . | . | trans | -58.9 | 146.8 | 170.3 | -20.8 | 32.5 | 0 | 0 | 0 | 111.6 | N499 H500 | P497-N499 PolarHBondContact O-N 2.64Å; P497-N499 VanDerWaalsContact O-N 3.16Å; P497-H500 PolarHBondContact O-N 3.27Å | ||
| 498 | A | 67.5 | Low | 80.9 | Confident | 50 Ų | 50 | 34.1 Ų | 34.1 | 41% | 0.413 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.5 | -35.9 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | E271 H500 F501 | E271-A498 WeakPolarHBondContact OE1-CB 3.4Å; A498-H500 PolarHBondContact O-N 2.67Å; A498-H500 VanDerWaalsContact O-N 3.11Å; A498-F501 VanDerWaalsContact O-CB 3.23Å; A498-F501 WeakPolarHBondContact O-CB 3.23Å; A498-F501 PolarHBondContact O-N 3.1Å; A498-F501 VanDerWaalsContact O-N 3.07Å |
| 499 | N | 70 | Confident | 81.1 | Confident | 138 Ų | 138 | 34.9 Ų | 34.9 | 74% | 0.738 | 22% | 0.22 | S | C | * | . | H | α-helix | trans | -61.9 | -19.6 | 178.9 | -59.7 | -8.1 | 0 | 0 | 0 | 113.8 | P497 | P497-N499 PolarHBondContact O-N 2.64Å; P497-N499 VanDerWaalsContact O-N 3.16Å |
| 500 | H | 76.3 | Confident | 81.7 | Confident | 17 Ų | 17 | 35.8 Ų | 35.8 | 8% | 0.079 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -98 | -11.5 | 179.3 | -63.8 | -177.4 | 0 | 0 | 0 | 112.7 | V324 I326 S329 P497 A498 G502 T503 L504 | V324-H500 PolarHBondContact O-CE1 3.41Å; V324-H500 PolarHBondContact O-NE2 3.38Å; I326-H500 WeakPolarHBondContact CG1-NE2 3.4Å; S329-H500 PolarHBondContact OG-CE1 3.37Å; S329-H500 PolarHBondContact OG-ND1 3.5Å; P497-H500 PolarHBondContact O-N 3.27Å; A498-H500 PolarHBondContact O-N 2.67Å; A498-H500 VanDerWaalsContact O-N 3.11Å; H500-G502 PolarHBondContact O-N 3.39Å; H500-T503 PolarHBondContact O-N 3.48Å; H500-L504 HydrophobicContact CB-CD1 4.06Å; H500-L504 HydrophobicContact CB-CG 4.28Å; H500-L504 WeakPolarHBondContact O-CB 3.47Å; H500-L504 VanDerWaalsContact O-CG 3.28Å; H500-L504 WeakPolarHBondContact O-CG 3.34Å; H500-L504 PolarHBondContact O-N 2.93Å |
| 501 | F | 76.4 | Confident | 82.4 | Confident | 81 Ų | 81 | 38.1 Ų | 38.1 | 36% | 0.355 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -57.3 | -50.2 | -170.5 | 178.7 | -92.9 | 0 | 0 | 0 | 113.1 | G489 A493 A498 T505 | G489-F501 WeakPolarHBondContact O-CE2 3.25Å; A493-F501 HydrophobicContact CB-CD2 4.48Å; A493-F501 HydrophobicContact CB-CE2 4.31Å; A498-F501 VanDerWaalsContact O-CB 3.23Å; A498-F501 WeakPolarHBondContact O-CB 3.23Å; A498-F501 PolarHBondContact O-N 3.1Å; A498-F501 VanDerWaalsContact O-N 3.07Å; F501-T505 WeakPolarHBondContact O-CB 3.38Å; F501-T505 PolarHBondContact O-N 3.31Å; F501-T505 PolarHBondContact O-OG1 3.43Å |
| 502 | G | 75.8 | Confident | 82.7 | Confident | 27 Ų | 27 | 38.2 Ų | 38.2 | 28% | 0.278 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.9 | -47.7 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112 | H500 T505 G506 | H500-G502 PolarHBondContact O-N 3.39Å; G502-T505 PolarHBondContact O-N 3.46Å; G502-G506 PolarHBondContact O-N 2.93Å |
| 503 | T | 83 | Confident | 83.2 | Confident | 31 Ų | 31 | 38.2 Ų | 38.2 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.5 | -45.5 | 179.4 | -55 | 0 | 0 | 0 | 0 | 112.4 | L137 I326 H500 G506 F507 | L137-T503 HydrophobicContact CD1-CG2 4.37Å; I326-T503 HydrophobicContact CG2-CG2 4.28Å; H500-T503 PolarHBondContact O-N 3.48Å; T503-G506 PolarHBondContact O-N 2.86Å; T503-F507 HydrophobicContact CG2-CD2 3.74Å; T503-F507 HydrophobicContact CG2-CE2 3.64Å; T503-F507 VanDerWaalsContact O-CD2 3.29Å; T503-F507 WeakPolarHBondContact O-CD2 3.41Å; T503-F507 PolarHBondContact O-N 3.05Å |
| 504 | L | 85.5 | Confident | 84.1 | Confident | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -44.4 | 177.7 | -69.8 | 176.4 | 0 | 0 | 0 | 111.7 | V330 F335 Y492 Y496 H500 G506 F507 Q508 | V330-L504 HydrophobicContact CG2-CD2 3.87Å; F335-L504 HydrophobicContact CD2-CB 4.32Å; F335-L504 HydrophobicContact CD2-CD2 3.77Å; F335-L504 HydrophobicContact CD2-CG 4.48Å; F335-L504 HydrophobicContact CE2-CB 3.93Å; F335-L504 HydrophobicContact CE2-CD2 3.75Å; F335-L504 HydrophobicContact CE2-CG 4.4Å; F335-L504 WeakPolarHBondContact CE2-O 3.11Å; F335-L504 HydrophobicContact CG-CD2 4.25Å; F335-L504 HydrophobicContact CZ-CD2 4.2Å; Y492-L504 HydrophobicContact CD2-CB 4.21Å; Y492-L504 HydrophobicContact CE2-CB 4.25Å; Y496-L504 HydrophobicContact CD1-CD1 3.81Å; Y496-L504 HydrophobicContact CD2-CD1 3.54Å; Y496-L504 HydrophobicContact CE1-CD1 4.26Å; Y496-L504 HydrophobicContact CE2-CD1 4.05Å; Y496-L504 HydrophobicContact CG-CD1 3.42Å; Y496-L504 VanDerWaalsContact CG-CD1 3.42Å; H500-L504 HydrophobicContact CB-CD1 4.06Å; H500-L504 HydrophobicContact CB-CG 4.28Å; H500-L504 WeakPolarHBondContact O-CB 3.47Å; H500-L504 VanDerWaalsContact O-CG 3.28Å; H500-L504 WeakPolarHBondContact O-CG 3.34Å; H500-L504 PolarHBondContact O-N 2.93Å; L504-G506 VanDerWaalsContact C-N 3.29Å; L504-G506 PolarHBondContact O-N 3.47Å; L504-F507 PolarHBondContact O-N 3.07Å; L504-Q508 WeakPolarHBondContact O-CB 3.22Å; L504-Q508 PolarHBondContact O-N 3.47Å |
| 505 | T | 85 | Confident | 84.9 | Confident | 35 Ų | 35 | 41.2 Ų | 41.2 | 22% | 0.215 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.9 | -43.2 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 110.8 | F501 G502 Q508 S509 | F501-T505 WeakPolarHBondContact O-CB 3.38Å; F501-T505 PolarHBondContact O-N 3.31Å; F501-T505 PolarHBondContact O-OG1 3.43Å; G502-T505 PolarHBondContact O-N 3.46Å; T505-Q508 PolarHBondContact O-N 3.34Å; T505-S509 WeakPolarHBondContact O-CB 3.44Å; T505-S509 PolarHBondContact O-N 3.05Å; T505-S509 PolarHBondContact O-OG 3.4Å |
| 506 | G | 88.3 | Confident | 85.5 | Confident | 1 Ų | 1 | 38.9 Ų | 38.9 | 1% | 0.01 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.6 | -51.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T136 G502 T503 L504 Q508 S509 T510 | T136-G506 PolarHBondContact OG1-O 3.04Å; G502-G506 PolarHBondContact O-N 2.93Å; T503-G506 PolarHBondContact O-N 2.86Å; L504-G506 VanDerWaalsContact C-N 3.29Å; L504-G506 PolarHBondContact O-N 3.47Å; G506-Q508 PolarHBondContact O-N 2.93Å; G506-S509 PolarHBondContact O-N 3.29Å; G506-T510 PolarHBondContact O-N 2.88Å; G506-T510 PolarHBondContact O-OG1 3Å; G506-T510 VanDerWaalsContact O-OG1 3.05Å |
| 507 | F | 90.1 | Very high | 86.1 | Confident | 74 Ų | 74 | 41.2 Ų | 41.2 | 33% | 0.325 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 178.4 | -89.5 | -71.5 | 0 | 0 | 0 | 112.1 | L137 V330 F335 T503 L504 S509 T510 I511 | L137-F507 HydrophobicContact CD1-CD2 3.75Å; L137-F507 HydrophobicContact CD1-CE2 3.89Å; L137-F507 HydrophobicContact CD1-CG 4.08Å; L137-F507 HydrophobicContact CD1-CZ 4.36Å; L137-F507 HydrophobicContact CD2-CD1 3.94Å; L137-F507 HydrophobicContact CD2-CE1 3.83Å; L137-F507 HydrophobicContact CD2-CE2 4.42Å; L137-F507 HydrophobicContact CD2-CG 4.29Å; L137-F507 HydrophobicContact CD2-CZ 4.07Å; V330-F507 HydrophobicContact CG2-CD2 4.33Å; V330-F507 HydrophobicContact CG2-CE2 4.45Å; F335-F507 HydrophobicContact CZ-CB 3.83Å; T503-F507 HydrophobicContact CG2-CD2 3.74Å; T503-F507 HydrophobicContact CG2-CE2 3.64Å; T503-F507 VanDerWaalsContact O-CD2 3.29Å; T503-F507 WeakPolarHBondContact O-CD2 3.41Å; T503-F507 PolarHBondContact O-N 3.05Å; L504-F507 PolarHBondContact O-N 3.07Å; F507-S509 PolarHBondContact O-N 3.4Å; F507-T510 PolarHBondContact O-N 3.47Å; F507-I511 VanDerWaalsContact O-CG1 3.28Å; F507-I511 WeakPolarHBondContact O-CG1 3.48Å; F507-I511 PolarHBondContact O-N 3.48Å |
| 508 | Q | 92 | Very high | 87.2 | Confident | 4 Ų | 4 | 42 Ų | 42 | 2% | 0.019 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -58.2 | -49.4 | 178.2 | -175.3 | -165.8 | -113.4 | 0 | 0 | 110.8 | F335 V339 M342 C488 Y492 L504 T505 G506 I511 S512 | F335-Q508 HydrophobicContact CE2-CB 4.28Å; F335-Q508 HydrophobicContact CZ-CB 4.46Å; V339-Q508 HydrophobicContact CG2-CB 4.24Å; V339-Q508 HydrophobicContact CG2-CG 4.14Å; M342-Q508 HydrophobicContact CB-CG 3.94Å; M342-Q508 VanDerWaalsContact CE-NE2 3.33Å; M342-Q508 HydrophobicContact CG-CG 3.97Å; C488-Q508 PolarHBondContact SG-OE1 2.89Å; Y492-Q508 HydrophobicContact CE2-CB 4.43Å; Y492-Q508 PolarHBondContact OH-OE1 3.44Å; L504-Q508 WeakPolarHBondContact O-CB 3.22Å; L504-Q508 PolarHBondContact O-N 3.47Å; T505-Q508 PolarHBondContact O-N 3.34Å; G506-Q508 PolarHBondContact O-N 2.93Å; Q508-I511 PolarHBondContact O-N 3.16Å; Q508-S512 VanDerWaalsContact O-CB 3.28Å; Q508-S512 WeakPolarHBondContact O-CB 3.3Å; Q508-S512 PolarHBondContact O-N 3.15Å; Q508-S512 PolarHBondContact O-OG 2.88Å |
| 509 | S | 91 | Very high | 88.5 | Confident | 18 Ų | 18 | 39.7 Ų | 39.7 | 13% | 0.126 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 179.8 | -70.4 | 0 | 0 | 0 | 0 | 112.3 | T136 T505 G506 F507 S512 A513 | T136-S509 WeakPolarHBondContact OG1-CB 3.48Å; T505-S509 WeakPolarHBondContact O-CB 3.44Å; T505-S509 PolarHBondContact O-N 3.05Å; T505-S509 PolarHBondContact O-OG 3.4Å; G506-S509 PolarHBondContact O-N 3.29Å; F507-S509 PolarHBondContact O-N 3.4Å; S509-S512 PolarHBondContact O-N 2.89Å; S509-A513 VanDerWaalsContact O-CB 3.28Å; S509-A513 WeakPolarHBondContact O-CB 3.35Å; S509-A513 PolarHBondContact O-N 3.37Å |
| 510 | T | 93 | Very high | 89.6 | Confident | 37 Ų | 37 | 33.8 Ų | 33.8 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -64.7 | -43.9 | 177.3 | -57.6 | 0 | 0 | 0 | 0 | 112.5 | A134 L137 G506 F507 A513 A514 | A134-T510 PolarHBondContact O-OG1 3.3Å; L137-T510 WeakPolarHBondContact CB-OG1 3.28Å; G506-T510 PolarHBondContact O-N 2.88Å; G506-T510 PolarHBondContact O-OG1 3Å; G506-T510 VanDerWaalsContact O-OG1 3.05Å; F507-T510 PolarHBondContact O-N 3.47Å; T510-A513 WeakPolarHBondContact O-CB 2.95Å; T510-A513 PolarHBondContact O-N 2.9Å; T510-A514 PolarHBondContact O-N 3.47Å |
| 511 | I | 93.9 | Very high | 90.5 | Very high | 75 Ų | 75 | 36.3 Ų | 36.3 | 39% | 0.385 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -66.4 | -42.2 | 177.5 | -64.6 | 165.9 | 0 | 0 | 0 | 110.5 | V339 F507 Q508 A513 A514 F515 | V339-I511 HydrophobicContact CG1-CB 3.97Å; V339-I511 HydrophobicContact CG1-CD1 4.07Å; V339-I511 HydrophobicContact CG1-CG2 3.54Å; F507-I511 VanDerWaalsContact O-CG1 3.28Å; F507-I511 WeakPolarHBondContact O-CG1 3.48Å; F507-I511 PolarHBondContact O-N 3.48Å; Q508-I511 PolarHBondContact O-N 3.16Å; I511-A513 VanDerWaalsContact C-N 3.31Å; I511-A513 PolarHBondContact O-N 3.42Å; I511-A514 PolarHBondContact O-N 3.02Å; I511-F515 PolarHBondContact O-N 3.2Å |
| 512 | S | 93.5 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.4 Ų | 34.4 | 2% | 0.021 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -65.2 | -35.7 | 177.8 | -53.7 | 0 | 0 | 0 | 0 | 111.8 | M342 Q508 S509 F515 A516 | M342-S512 WeakPolarHBondContact CG-OG 3.46Å; Q508-S512 VanDerWaalsContact O-CB 3.28Å; Q508-S512 WeakPolarHBondContact O-CB 3.3Å; Q508-S512 PolarHBondContact O-N 3.15Å; Q508-S512 PolarHBondContact O-OG 2.88Å; S509-S512 PolarHBondContact O-N 2.89Å; S512-F515 PolarHBondContact O-N 3.31Å; S512-A516 WeakPolarHBondContact O-CB 3.14Å; S512-A516 PolarHBondContact O-N 2.86Å |
| 513 | A | 93.9 | Very high | 92.2 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 2% | 0.017 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -64.3 | -44 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | F130 A134 S509 T510 I511 F515 A516 L517 | F130-A513 HydrophobicContact CD2-CB 3.99Å; F130-A513 HydrophobicContact CE2-CB 4.34Å; A134-A513 HydrophobicContact CB-CB 4Å; S509-A513 VanDerWaalsContact O-CB 3.28Å; S509-A513 WeakPolarHBondContact O-CB 3.35Å; S509-A513 PolarHBondContact O-N 3.37Å; T510-A513 WeakPolarHBondContact O-CB 2.95Å; T510-A513 PolarHBondContact O-N 2.9Å; I511-A513 VanDerWaalsContact C-N 3.31Å; I511-A513 PolarHBondContact O-N 3.42Å; A513-F515 VanDerWaalsContact C-N 3.31Å; A513-F515 PolarHBondContact O-N 3.44Å; A513-A516 WeakPolarHBondContact O-CB 3.41Å; A513-A516 PolarHBondContact O-N 3.2Å; A513-L517 PolarHBondContact O-N 2.97Å |
| 514 | A | 95.3 | Very high | 92.7 | Very high | 51 Ų | 51 | 34.5 Ų | 34.5 | 42% | 0.421 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62.9 | -40.3 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T510 I511 L517 | T510-A514 PolarHBondContact O-N 3.47Å; I511-A514 PolarHBondContact O-N 3.02Å; A514-L517 WeakPolarHBondContact O-CB 3.22Å; A514-L517 PolarHBondContact O-N 3.35Å |
| 515 | F | 95 | Very high | 93.1 | Very high | 83 Ų | 83 | 38.1 Ų | 38.1 | 36% | 0.364 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -67.9 | -35.4 | 175 | -162.5 | -104.9 | 0 | 0 | 0 | 112.3 | A343 I344 L347 I511 S512 A513 L517 L518 | A343-F515 HydrophobicContact CB-CB 3.92Å; A343-F515 HydrophobicContact CB-CD1 3.81Å; A343-F515 HydrophobicContact CB-CG 3.94Å; A343-F515 WeakPolarHBondContact O-CD1 3.38Å; I344-F515 HydrophobicContact CG1-CE1 4.37Å; L347-F515 HydrophobicContact CB-CD1 3.95Å; L347-F515 HydrophobicContact CB-CE1 4.16Å; L347-F515 HydrophobicContact CD2-CD1 3.9Å; L347-F515 HydrophobicContact CD2-CE1 3.48Å; L347-F515 VanDerWaalsContact CD2-CE1 3.48Å; L347-F515 HydrophobicContact CD2-CZ 4.26Å; L347-F515 HydrophobicContact CG-CE1 4.46Å; I511-F515 PolarHBondContact O-N 3.2Å; S512-F515 PolarHBondContact O-N 3.31Å; A513-F515 VanDerWaalsContact C-N 3.31Å; A513-F515 PolarHBondContact O-N 3.44Å; F515-L517 PolarHBondContact O-N 2.94Å; F515-L518 HydrophobicContact CD2-CD1 3.89Å; F515-L518 HydrophobicContact CE1-CD1 4.31Å; F515-L518 HydrophobicContact CE2-CD1 3.64Å; F515-L518 HydrophobicContact CG-CD1 4.33Å; F515-L518 HydrophobicContact CZ-CD1 3.87Å; F515-L518 VanDerWaalsContact O-CB 3.3Å; F515-L518 WeakPolarHBondContact O-CB 3.33Å; F515-L518 WeakPolarHBondContact O-CG 3.3Å; F515-L518 PolarHBondContact O-N 3.49Å; F515-L518 VanDerWaalsContact O-N 3.09Å |
| 516 | A | 93.8 | Very high | 93.4 | Very high | 6 Ų | 6 | 36.5 Ų | 36.5 | 5% | 0.05 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -17.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | I350 S512 A513 L518 Q519 | I350-A516 HydrophobicContact CD1-CB 3.67Å; S512-A516 WeakPolarHBondContact O-CB 3.14Å; S512-A516 PolarHBondContact O-N 2.86Å; A513-A516 WeakPolarHBondContact O-CB 3.41Å; A513-A516 PolarHBondContact O-N 3.2Å; A516-L518 PolarHBondContact O-N 2.91Å; A516-L518 VanDerWaalsContact O-N 3.15Å; A516-Q519 WeakPolarHBondContact O-CB 3.3Å; A516-Q519 PolarHBondContact O-N 3.1Å |
| 517 | L | 95.4 | Very high | 93.4 | Very high | 74 Ų | 74 | 37.3 Ų | 37.3 | 39% | 0.387 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -22 | 171.4 | -65 | 175.1 | 0 | 0 | 0 | 112.6 | T126 F130 A513 A514 F515 Q519 Q520 P521 | T126-L517 HydrophobicContact CG2-CD2 3.87Å; F130-L517 HydrophobicContact CB-CD2 3.82Å; F130-L517 HydrophobicContact CD2-CD1 4.01Å; F130-L517 HydrophobicContact CD2-CD2 3.82Å; F130-L517 HydrophobicContact CD2-CG 3.92Å; F130-L517 HydrophobicContact CE2-CD1 4.12Å; F130-L517 HydrophobicContact CG-CD2 3.97Å; A513-L517 PolarHBondContact O-N 2.97Å; A514-L517 WeakPolarHBondContact O-CB 3.22Å; A514-L517 PolarHBondContact O-N 3.35Å; F515-L517 PolarHBondContact O-N 2.94Å; L517-Q519 PolarHBondContact O-N 3.46Å; L517-Q519 VanDerWaalsContact O-N 3.14Å; L517-Q520 PolarHBondContact O-N 3.22Å; L517-P521 VanDerWaalsContact O-CD 3.3Å; L517-P521 WeakPolarHBondContact O-CD 3.45Å |
| 518 | L | 95.6 | Very high | 93.2 | Very high | 76 Ų | 76 | 36.3 Ų | 36.3 | 40% | 0.398 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | -13.1 | 171.8 | -66.5 | 172.5 | 0 | 0 | 0 | 113 | L347 F515 A516 Q520 P521 L522 | L347-L518 HydrophobicContact CD1-CB 3.9Å; L347-L518 HydrophobicContact CD2-CB 4.12Å; L347-L518 HydrophobicContact CD2-CD1 4.33Å; F515-L518 HydrophobicContact CD2-CD1 3.89Å; F515-L518 HydrophobicContact CE1-CD1 4.31Å; F515-L518 HydrophobicContact CE2-CD1 3.64Å; F515-L518 HydrophobicContact CG-CD1 4.33Å; F515-L518 HydrophobicContact CZ-CD1 3.87Å; F515-L518 VanDerWaalsContact O-CB 3.3Å; F515-L518 WeakPolarHBondContact O-CB 3.33Å; F515-L518 WeakPolarHBondContact O-CG 3.3Å; F515-L518 PolarHBondContact O-N 3.49Å; F515-L518 VanDerWaalsContact O-N 3.09Å; A516-L518 PolarHBondContact O-N 2.91Å; A516-L518 VanDerWaalsContact O-N 3.15Å; L518-Q520 VanDerWaalsContact C-N 3.3Å; L518-Q520 PolarHBondContact O-N 3.35Å; L518-P521 HydrophobicContact CD2-CG 4.4Å; L518-P521 VanDerWaalsContact O-CD 3.25Å; L518-P521 WeakPolarHBondContact O-CD 3.11Å; L518-P521 VanDerWaalsContact O-CG 3.28Å; L518-P521 WeakPolarHBondContact O-CG 3.31Å; L518-L522 WeakPolarHBondContact O-CB 3.3Å; L518-L522 VanDerWaalsContact O-CG 3.23Å; L518-L522 WeakPolarHBondContact O-CG 3.39Å; L518-L522 PolarHBondContact O-N 2.95Å; L518-L522 VanDerWaalsContact O-N 3.14Å |
| 519 | Q | 94.8 | Very high | 92.9 | Very high | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.7 | -39.1 | 174.5 | 172.9 | -99.1 | -67.4 | 0 | 0 | 112.3 | T126 L347 I350 F351 A516 L517 L522 F523 | T126-Q519 PolarHBondContact OG1-NE2 2.99Å; T126-Q519 PolarHBondContact OG1-OE1 2.85Å; L347-Q519 HydrophobicContact CD1-CB 4.06Å; I350-Q519 HydrophobicContact CG2-CB 4.29Å; I350-Q519 HydrophobicContact CG2-CG 4.07Å; F351-Q519 HydrophobicContact CB-CG 4.1Å; F351-Q519 HydrophobicContact CD2-CG 4.29Å; A516-Q519 WeakPolarHBondContact O-CB 3.3Å; A516-Q519 PolarHBondContact O-N 3.1Å; L517-Q519 PolarHBondContact O-N 3.46Å; L517-Q519 VanDerWaalsContact O-N 3.14Å; Q519-L522 PolarHBondContact O-N 2.78Å; Q519-F523 WeakPolarHBondContact O-CB 3.3Å; Q519-F523 PolarHBondContact O-N 2.91Å |
| 520 | Q | 94.3 | Very high | 92.7 | Very high | 15 Ų | 15 | 47.5 Ų | 47.5 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.9 | -53.1 | 179.7 | -174.6 | 67.4 | 9.3 | 0 | 0 | 112.8 | E119 N122 L123 T126 L517 L518 L522 F523 I524 | E119-Q520 PolarHBondContact O-NE2 3.46Å; N122-Q520 VanDerWaalsContact C-OE1 3.24Å; N122-Q520 PolarHBondContact O-OE1 2.87Å; L123-Q520 HydrophobicContact CD1-CG 4.03Å; T126-Q520 HydrophobicContact CG2-CB 4.21Å; T126-Q520 PolarHBondContact OG1-OE1 3.1Å; L517-Q520 PolarHBondContact O-N 3.22Å; L518-Q520 VanDerWaalsContact C-N 3.3Å; L518-Q520 PolarHBondContact O-N 3.35Å; Q520-L522 VanDerWaalsContact C-N 3.26Å; Q520-L522 PolarHBondContact O-N 2.72Å; Q520-F523 WeakPolarHBondContact O-CB 3.38Å; Q520-F523 PolarHBondContact O-N 3.37Å; Q520-I524 HydrophobicContact CG-CD1 4.06Å; Q520-I524 WeakPolarHBondContact O-CG1 3.26Å; Q520-I524 PolarHBondContact O-N 3.23Å |
| 521 | P | 95.1 | Very high | 92.1 | Very high | 70 Ų | 70 | 48.4 Ų | 48.4 | 46% | 0.455 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63.1 | -31.9 | 177.2 | 23 | -32.7 | 0 | 0 | 0 | 112.6 | L517 L518 I524 L525 | L517-P521 VanDerWaalsContact O-CD 3.3Å; L517-P521 WeakPolarHBondContact O-CD 3.45Å; L518-P521 HydrophobicContact CD2-CG 4.4Å; L518-P521 VanDerWaalsContact O-CD 3.25Å; L518-P521 WeakPolarHBondContact O-CD 3.11Å; L518-P521 VanDerWaalsContact O-CG 3.28Å; L518-P521 WeakPolarHBondContact O-CG 3.31Å; P521-I524 PolarHBondContact O-N 2.88Å; P521-L525 WeakPolarHBondContact O-CB 3.45Å; P521-L525 PolarHBondContact O-N 3.24Å |
| 522 | L | 94.9 | Very high | 91.6 | Very high | 40 Ų | 40 | 45.3 Ų | 45.3 | 21% | 0.209 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -64.3 | -40.2 | 171.6 | -71.9 | 174.5 | 0 | 0 | 0 | 112 | L347 F351 L518 Q519 Q520 L525 M526 I537 L541 | L347-L522 HydrophobicContact CD1-CD1 4.23Å; L347-L522 HydrophobicContact CD2-CD1 4.25Å; L347-L522 HydrophobicContact CG-CD1 4.42Å; F351-L522 HydrophobicContact CD2-CB 3.8Å; F351-L522 HydrophobicContact CD2-CD1 4.47Å; F351-L522 HydrophobicContact CE2-CB 3.79Å; L518-L522 WeakPolarHBondContact O-CB 3.3Å; L518-L522 VanDerWaalsContact O-CG 3.23Å; L518-L522 WeakPolarHBondContact O-CG 3.39Å; L518-L522 PolarHBondContact O-N 2.95Å; L518-L522 VanDerWaalsContact O-N 3.14Å; Q519-L522 PolarHBondContact O-N 2.78Å; Q520-L522 VanDerWaalsContact C-N 3.26Å; Q520-L522 PolarHBondContact O-N 2.72Å; L522-L525 PolarHBondContact O-N 3.24Å; L522-M526 PolarHBondContact O-N 3.36Å; L522-I537 HydrophobicContact CD2-CG2 4.34Å; L522-I537 WeakPolarHBondContact O-CD1 3.09Å; L522-L541 HydrophobicContact CD1-CD2 4.22Å |
| 523 | F | 93.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -64.9 | -44.4 | 176.1 | -176.3 | -94.4 | 0 | 0 | 0 | 111.7 | N122 A355 K358 Q519 Q520 L525 M526 V527 | N122-F523 HydrophobicContact CB-CD1 4.25Å; N122-F523 HydrophobicContact CB-CE1 4.3Å; N122-F523 VanDerWaalsContact ND2-CE1 3.3Å; N122-F523 WeakPolarHBondContact ND2-CE1 3.43Å; N122-F523 WeakPolarHBondContact ND2-CE2 3.41Å; N122-F523 WeakPolarHBondContact ND2-CZ 3.47Å; A355-F523 HydrophobicContact CB-CD2 4.04Å; A355-F523 HydrophobicContact CB-CE2 4.32Å; K358-F523 HydrophobicContact CG-CE2 4.39Å; K358-F523 HydrophobicContact CG-CZ 4.29Å; Q519-F523 WeakPolarHBondContact O-CB 3.3Å; Q519-F523 PolarHBondContact O-N 2.91Å; Q520-F523 WeakPolarHBondContact O-CB 3.38Å; Q520-F523 PolarHBondContact O-N 3.37Å; F523-L525 VanDerWaalsContact C-N 3.31Å; F523-L525 PolarHBondContact O-N 3.03Å; F523-M526 HydrophobicContact CD2-CE 3.95Å; F523-M526 HydrophobicContact CE2-CE 3.78Å; F523-M526 WeakPolarHBondContact O-CB 3.35Å; F523-M526 PolarHBondContact O-N 3.37Å; F523-M526 VanDerWaalsContact O-N 3.17Å; F523-V527 HydrophobicContact CD1-CG2 4.38Å; F523-V527 HydrophobicContact CD2-CG2 4.42Å; F523-V527 HydrophobicContact CE1-CG2 3.86Å; F523-V527 HydrophobicContact CE2-CG2 3.91Å; F523-V527 HydrophobicContact CZ-CG2 3.59Å; F523-V527 PolarHBondContact O-N 3.03Å |
| 524 | I | 92.4 | Very high | 91.3 | Very high | 59 Ų | 59 | 47.7 Ų | 47.7 | 30% | 0.303 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -60.5 | -42 | 175.5 | -64.6 | 168.4 | 0 | 0 | 0 | 110.8 | E119 Q520 P521 M526 G528 | E119-I524 HydrophobicContact CG-CD1 4.29Å; E119-I524 HydrophobicContact CG-CG1 3.86Å; E119-I524 WeakPolarHBondContact OE1-CD1 3.1Å; E119-I524 WeakPolarHBondContact OE1-CG1 3.33Å; Q520-I524 HydrophobicContact CG-CD1 4.06Å; Q520-I524 WeakPolarHBondContact O-CG1 3.26Å; Q520-I524 PolarHBondContact O-N 3.23Å; P521-I524 PolarHBondContact O-N 2.88Å; I524-M526 VanDerWaalsContact C-N 3.33Å; I524-M526 PolarHBondContact O-N 3.4Å; I524-G528 WeakPolarHBondContact O-CA 3.33Å; I524-G528 PolarHBondContact O-N 3.02Å |
| 525 | L | 93.9 | Very high | 91.2 | Very high | 76 Ų | 76 | 50.5 Ų | 50.5 | 40% | 0.398 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -62.1 | -41.4 | 176.1 | -174.6 | 68.5 | 0 | 0 | 0 | 111.9 | P521 L522 F523 Y529 L530 I537 | P521-L525 WeakPolarHBondContact O-CB 3.45Å; P521-L525 PolarHBondContact O-N 3.24Å; L522-L525 PolarHBondContact O-N 3.24Å; F523-L525 VanDerWaalsContact C-N 3.31Å; F523-L525 PolarHBondContact O-N 3.03Å; L525-Y529 HydrophobicContact CD1-CD2 4.04Å; L525-Y529 HydrophobicContact CD1-CG 4.26Å; L525-Y529 PolarHBondContact O-N 3.04Å; L525-L530 HydrophobicContact CG-CD1 4.45Å; L525-L530 PolarHBondContact O-N 3.37Å; L525-L530 VanDerWaalsContact O-N 3.17Å; L525-I537 HydrophobicContact CB-CD1 4.44Å; L525-I537 HydrophobicContact CD2-CG1 4.47Å |
| 526 | M | 92.7 | Very high | 91.1 | Very high | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -62 | -53.8 | 179.1 | -167.9 | -175.2 | 74.1 | 0 | 0 | 111.7 | F351 A355 K358 M359 L522 F523 I524 L530 G532 P534 I537 | F351-M526 HydrophobicContact CZ-SD 3.85Å; A355-M526 HydrophobicContact CB-CE 3.88Å; A355-M526 HydrophobicContact CB-SD 3.97Å; K358-M526 HydrophobicContact CB-CE 3.77Å; M359-M526 HydrophobicContact CG-SD 4.24Å; L522-M526 PolarHBondContact O-N 3.36Å; F523-M526 HydrophobicContact CD2-CE 3.95Å; F523-M526 HydrophobicContact CE2-CE 3.78Å; F523-M526 WeakPolarHBondContact O-CB 3.35Å; F523-M526 PolarHBondContact O-N 3.37Å; F523-M526 VanDerWaalsContact O-N 3.17Å; I524-M526 VanDerWaalsContact C-N 3.33Å; I524-M526 PolarHBondContact O-N 3.4Å; M526-L530 CarbonylContact O-C 3.59Å; M526-L530 WeakPolarHBondContact O-CB 3.13Å; M526-G532 WeakPolarHBondContact O-CA 3.26Å; M526-G532 PolarHBondContact O-N 3.31Å; M526-P534 HydrophobicContact CG-CB 4.45Å; M526-P534 HydrophobicContact SD-CB 3.98Å; M526-I537 VanDerWaalsContact CA-CD1 3.45Å; M526-I537 HydrophobicContact CB-CD1 3.36Å; M526-I537 HydrophobicContact CG-CD1 3.91Å |
| 527 | V | 88.3 | Confident | 91.1 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 11% | 0.109 | 29% | 0.289 | C | S | . | . | I | π-helix | trans | -83.9 | -32.5 | -171.6 | -168.3 | 0 | 0 | 0 | 0 | 111.7 | V115 F523 | V115-V527 HydrophobicContact CB-CG1 4.08Å; V115-V527 HydrophobicContact CG1-CB 4.18Å; V115-V527 HydrophobicContact CG1-CG1 3.37Å; V115-V527 HydrophobicContact CG2-CG1 3.59Å; F523-V527 HydrophobicContact CD1-CG2 4.38Å; F523-V527 HydrophobicContact CD2-CG2 4.42Å; F523-V527 HydrophobicContact CE1-CG2 3.86Å; F523-V527 HydrophobicContact CE2-CG2 3.91Å; F523-V527 HydrophobicContact CZ-CG2 3.59Å; F523-V527 PolarHBondContact O-N 3.03Å |
| 528 | G | 84.7 | Confident | 91.1 | Very high | 54 Ų | 54 | 51.3 Ų | 51.3 | 56% | 0.557 | 27% | 0.272 | S | S | * | . | I | π-helix | trans | -80.9 | -68.9 | -179.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | I524 | I524-G528 WeakPolarHBondContact O-CA 3.33Å; I524-G528 PolarHBondContact O-N 3.02Å |
| 529 | Y | 85.4 | Confident | 91.1 | Very high | 204 Ų | 204 | 49.2 Ų | 49.2 | 80% | 0.8 | 26% | 0.262 | S | S | * | . | I | π-helix | trans | -82.5 | -31.1 | -171.2 | -75 | -88.9 | 0 | 0 | 0 | 113.8 | L525 | L525-Y529 HydrophobicContact CD1-CD2 4.04Å; L525-Y529 HydrophobicContact CD1-CG 4.26Å; L525-Y529 PolarHBondContact O-N 3.04Å |
| 530 | L | 87 | Confident | 91.1 | Very high | 53 Ų | 53 | 50.4 Ų | 50.4 | 28% | 0.277 | 27% | 0.274 | S | S | . | . | S | Bend | trans | -94.3 | 6.9 | -177.9 | -63.9 | 172.3 | 0 | 0 | 0 | 113 | L525 M526 G532 D533 W536 I537 | L525-L530 HydrophobicContact CG-CD1 4.45Å; L525-L530 PolarHBondContact O-N 3.37Å; L525-L530 VanDerWaalsContact O-N 3.17Å; M526-L530 CarbonylContact O-C 3.59Å; M526-L530 WeakPolarHBondContact O-CB 3.13Å; L530-G532 PolarHBondContact O-N 3.07Å; L530-G532 VanDerWaalsContact O-N 3.15Å; L530-D533 WeakPolarHBondContact O-CB 3.18Å; L530-D533 PolarHBondContact O-N 3.42Å; L530-W536 HydrophobicContact CD1-CB 4.42Å; L530-I537 HydrophobicContact CD1-CD1 3.76Å; L530-I537 HydrophobicContact CD1-CG1 3.82Å |
| 531 | G | 81.3 | Confident | 91.2 | Very high | 55 Ų | 55 | 50.1 Ų | 50.1 | 57% | 0.567 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 60.1 | 25.6 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 532 | G | 83.4 | Confident | 91.2 | Very high | 10 Ų | 10 | 48 Ų | 48 | 10% | 0.103 | 26% | 0.258 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 91.6 | -7 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | F362 M526 L530 P534 | F362-G532 VanDerWaalsContact CD2-C 3.5Å; F362-G532 WeakPolarHBondContact CD2-O 3.36Å; M526-G532 WeakPolarHBondContact O-CA 3.26Å; M526-G532 PolarHBondContact O-N 3.31Å; L530-G532 PolarHBondContact O-N 3.07Å; L530-G532 VanDerWaalsContact O-N 3.15Å; G532-P534 VanDerWaalsContact O-CD 3.26Å; G532-P534 WeakPolarHBondContact O-CD 3.11Å |
| 533 | D | 90.1 | Very high | 91.2 | Very high | 43 Ų | 43 | 51.2 Ų | 51.2 | 23% | 0.23 | 27% | 0.274 | C | S | . | . | trans | -69.8 | 116.5 | 178.8 | 178.8 | 10.8 | 0 | 0 | 0 | 111.4 | F362 L530 Y535 | F362-D533 HydrophobicContact CE1-CB 4.19Å; F362-D533 HydrophobicContact CE2-CB 3.89Å; F362-D533 HydrophobicContact CZ-CB 3.62Å; L530-D533 WeakPolarHBondContact O-CB 3.18Å; L530-D533 PolarHBondContact O-N 3.42Å; D533-Y535 WeakPolarHBondContact OD1-CB 2.98Å; D533-Y535 PolarHBondContact OD1-N 2.82Å | ||
| 534 | P | 90.5 | Very high | 91.3 | Very high | 13 Ų | 13 | 57 Ų | 57 | 8% | 0.084 | 30% | 0.299 | C | S | . | . | trans | -85.5 | -5.4 | -179.7 | 37 | -36.5 | 0 | 0 | 0 | 113.8 | M359 M526 G532 W536 I537 N538 | M359-P534 HydrophobicContact CB-CG 4.4Å; M359-P534 HydrophobicContact CG-CB 3.68Å; M359-P534 HydrophobicContact CG-CG 3.97Å; M359-P534 HydrophobicContact SD-CB 3.89Å; M359-P534 HydrophobicContact SD-CG 4.45Å; M526-P534 HydrophobicContact CG-CB 4.45Å; M526-P534 HydrophobicContact SD-CB 3.98Å; G532-P534 VanDerWaalsContact O-CD 3.26Å; G532-P534 WeakPolarHBondContact O-CD 3.11Å; P534-W536 PolarHBondContact O-N 2.98Å; P534-I537 PolarHBondContact O-N 3.45Å; P534-N538 WeakPolarHBondContact O-CB 3.33Å; P534-N538 PolarHBondContact O-N 2.79Å; P534-N538 PolarHBondContact O-ND2 2.86Å | ||
| 535 | Y | 92.9 | Very high | 91.3 | Very high | 109 Ų | 109 | 54.2 Ų | 54.2 | 43% | 0.427 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -56.2 | -56.4 | -169.6 | -179.1 | -96.5 | 0 | 0 | 0 | 112.7 | L463 D533 I537 N538 V539 | L463-Y535 HydrophobicContact CB-CE2 4.42Å; L463-Y535 HydrophobicContact CD2-CD2 3.86Å; L463-Y535 HydrophobicContact CD2-CE2 4.05Å; L463-Y535 HydrophobicContact CD2-CG 4.45Å; L463-Y535 WeakPolarHBondContact CD2-O 3.32Å; D533-Y535 WeakPolarHBondContact OD1-CB 2.98Å; D533-Y535 PolarHBondContact OD1-N 2.82Å; Y535-I537 VanDerWaalsContact C-N 3.33Å; Y535-I537 PolarHBondContact O-N 3.39Å; Y535-N538 PolarHBondContact O-N 3.31Å; Y535-V539 HydrophobicContact CD1-CG2 4.19Å; Y535-V539 HydrophobicContact CE1-CG2 3.85Å; Y535-V539 HydrophobicContact CE2-CG2 4.42Å; Y535-V539 WeakPolarHBondContact O-CG2 3.13Å; Y535-V539 PolarHBondContact O-N 3.02Å |
| 536 | W | 92.9 | Very high | 91.4 | Very high | 166 Ų | 166 | 55 Ų | 55 | 63% | 0.629 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -65.5 | -34.5 | -175.7 | -73 | 106.2 | 0 | 0 | 0 | 113.6 | L530 P534 V539 G540 | L530-W536 HydrophobicContact CD1-CB 4.42Å; P534-W536 PolarHBondContact O-N 2.98Å; W536-V539 PolarHBondContact O-N 2.88Å; W536-G540 PolarHBondContact O-N 3.41Å |
| 537 | I | 94.8 | Very high | 91.4 | Very high | 11 Ų | 11 | 57 Ų | 57 | 6% | 0.056 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -68.3 | -43.7 | 175.5 | -67 | 168 | 0 | 0 | 0 | 110 | F351 L522 L525 M526 L530 P534 Y535 V539 G540 L541 | F351-I537 HydrophobicContact CD1-CG2 4.39Å; F351-I537 HydrophobicContact CE1-CG2 3.66Å; F351-I537 HydrophobicContact CE2-CG2 4.13Å; F351-I537 HydrophobicContact CZ-CB 4.39Å; F351-I537 HydrophobicContact CZ-CD1 4.42Å; F351-I537 HydrophobicContact CZ-CG2 3.52Å; L522-I537 HydrophobicContact CD2-CG2 4.34Å; L522-I537 WeakPolarHBondContact O-CD1 3.09Å; L525-I537 HydrophobicContact CB-CD1 4.44Å; L525-I537 HydrophobicContact CD2-CG1 4.47Å; M526-I537 VanDerWaalsContact CA-CD1 3.45Å; M526-I537 HydrophobicContact CB-CD1 3.36Å; M526-I537 HydrophobicContact CG-CD1 3.91Å; L530-I537 HydrophobicContact CD1-CD1 3.76Å; L530-I537 HydrophobicContact CD1-CG1 3.82Å; P534-I537 PolarHBondContact O-N 3.45Å; Y535-I537 VanDerWaalsContact C-N 3.33Å; Y535-I537 PolarHBondContact O-N 3.39Å; I537-V539 VanDerWaalsContact C-N 3.34Å; I537-V539 PolarHBondContact O-N 3.23Å; I537-G540 PolarHBondContact O-N 2.92Å; I537-L541 HydrophobicContact CG2-CD1 3.96Å; I537-L541 HydrophobicContact CG2-CG 4.39Å; I537-L541 WeakPolarHBondContact O-CG 3.44Å; I537-L541 PolarHBondContact O-N 3.43Å |
| 538 | N | 94.6 | Very high | 91.5 | Very high | 4 Ų | 4 | 56.3 Ų | 56.3 | 2% | 0.021 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.7 | -36 | 176.4 | -82.1 | -46 | 0 | 0 | 0 | 112.7 | L463 P534 Y535 L542 | L463-N538 HydrophobicContact CD2-CB 3.51Å; L463-N538 HydrophobicContact CG-CB 4.38Å; P534-N538 WeakPolarHBondContact O-CB 3.33Å; P534-N538 PolarHBondContact O-N 2.79Å; P534-N538 PolarHBondContact O-ND2 2.86Å; Y535-N538 PolarHBondContact O-N 3.31Å; N538-L542 WeakPolarHBondContact O-CB 3.38Å; N538-L542 PolarHBondContact O-N 3.48Å |
| 539 | V | 95.8 | Very high | 92 | Very high | 31 Ų | 31 | 56.6 Ų | 56.6 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.5 | -48.1 | 172.4 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | L463 Y535 W536 I537 L541 L542 I543 | L463-V539 HydrophobicContact CD1-CG2 4.01Å; L463-V539 HydrophobicContact CD2-CG2 3.65Å; Y535-V539 HydrophobicContact CD1-CG2 4.19Å; Y535-V539 HydrophobicContact CE1-CG2 3.85Å; Y535-V539 HydrophobicContact CE2-CG2 4.42Å; Y535-V539 WeakPolarHBondContact O-CG2 3.13Å; Y535-V539 PolarHBondContact O-N 3.02Å; W536-V539 PolarHBondContact O-N 2.88Å; I537-V539 VanDerWaalsContact C-N 3.34Å; I537-V539 PolarHBondContact O-N 3.23Å; V539-L541 PolarHBondContact O-N 3.37Å; V539-L542 WeakPolarHBondContact O-CB 3.41Å; V539-L542 PolarHBondContact O-N 3.33Å; V539-I543 HydrophobicContact CG1-CD1 3.98Å; V539-I543 WeakPolarHBondContact O-CG1 3.18Å; V539-I543 PolarHBondContact O-N 2.93Å |
| 540 | G | 95.3 | Very high | 92.3 | Very high | 25 Ų | 25 | 50.6 Ų | 50.6 | 26% | 0.258 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -57.9 | -50.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | W536 I537 L542 I543 F544 | W536-G540 PolarHBondContact O-N 3.41Å; I537-G540 PolarHBondContact O-N 2.92Å; G540-L542 VanDerWaalsContact C-N 3.28Å; G540-L542 PolarHBondContact O-N 3.14Å; G540-I543 PolarHBondContact O-N 3.15Å; G540-F544 WeakPolarHBondContact O-CD2 3.49Å; G540-F544 PolarHBondContact O-N 3.09Å |
| 541 | L | 95 | Very high | 92.6 | Very high | 10 Ų | 10 | 48 Ų | 48 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.9 | -32.3 | 177.4 | -69.2 | 173.9 | 0 | 0 | 0 | 112.7 | L347 R348 F351 L522 I537 V539 S545 | L347-L541 HydrophobicContact CD2-CD2 4.31Å; L347-L541 HydrophobicContact CG-CD2 4.41Å; R348-L541 HydrophobicContact CG-CB 4.22Å; R348-L541 HydrophobicContact CG-CD1 4.3Å; F351-L541 HydrophobicContact CB-CD1 4.39Å; F351-L541 HydrophobicContact CD1-CD1 3.54Å; F351-L541 HydrophobicContact CE1-CD1 4.09Å; F351-L541 HydrophobicContact CG-CD1 4.07Å; L522-L541 HydrophobicContact CD1-CD2 4.22Å; I537-L541 HydrophobicContact CG2-CD1 3.96Å; I537-L541 HydrophobicContact CG2-CG 4.39Å; I537-L541 WeakPolarHBondContact O-CG 3.44Å; I537-L541 PolarHBondContact O-N 3.43Å; V539-L541 PolarHBondContact O-N 3.37Å; L541-S545 WeakPolarHBondContact O-CB 3.44Å; L541-S545 PolarHBondContact O-N 3.31Å; L541-S545 PolarHBondContact O-OG 3.32Å |
| 542 | L | 95.8 | Very high | 93.1 | Very high | 26 Ų | 26 | 45.7 Ų | 45.7 | 14% | 0.136 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.3 | -46.9 | 173.6 | 177.3 | 59.5 | 0 | 0 | 0 | 111.7 | V456 V460 L463 N538 V539 G540 F544 S545 L546 | V456-L542 HydrophobicContact CG1-CD1 4.19Å; V460-L542 HydrophobicContact CG2-CD2 4.13Å; L463-L542 HydrophobicContact CD1-CD2 3.73Å; N538-L542 WeakPolarHBondContact O-CB 3.38Å; N538-L542 PolarHBondContact O-N 3.48Å; V539-L542 WeakPolarHBondContact O-CB 3.41Å; V539-L542 PolarHBondContact O-N 3.33Å; G540-L542 VanDerWaalsContact C-N 3.28Å; G540-L542 PolarHBondContact O-N 3.14Å; L542-F544 VanDerWaalsContact C-N 3.33Å; L542-F544 PolarHBondContact O-N 3.21Å; L542-S545 WeakPolarHBondContact O-CB 3.36Å; L542-S545 PolarHBondContact O-N 3.32Å; L542-S545 VanDerWaalsContact O-N 3.1Å; L542-L546 PolarHBondContact O-N 2.89Å |
| 543 | I | 95.6 | Very high | 93.5 | Very high | 106 Ų | 106 | 49.1 Ų | 49.1 | 54% | 0.544 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.8 | -46.3 | 176.5 | -67 | 166.6 | 0 | 0 | 0 | 110 | V539 G540 S545 L546 | V539-I543 HydrophobicContact CG1-CD1 3.98Å; V539-I543 WeakPolarHBondContact O-CG1 3.18Å; V539-I543 PolarHBondContact O-N 2.93Å; G540-I543 PolarHBondContact O-N 3.15Å; I543-S545 VanDerWaalsContact C-N 3.27Å; I543-S545 PolarHBondContact O-N 3.24Å; I543-L546 WeakPolarHBondContact O-CB 3.48Å; I543-L546 PolarHBondContact O-N 2.95Å; I543-L546 VanDerWaalsContact O-N 3.13Å |
| 544 | F | 94.3 | Very high | 93.7 | Very high | 124 Ų | 124 | 50.1 Ų | 50.1 | 54% | 0.544 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -61.9 | -35.3 | 175.5 | -76.4 | -63.8 | 0 | 0 | 0 | 112.5 | I344 G540 L542 L546 V547 | I344-F544 HydrophobicContact CG2-CB 3.98Å; G540-F544 WeakPolarHBondContact O-CD2 3.49Å; G540-F544 PolarHBondContact O-N 3.09Å; L542-F544 VanDerWaalsContact C-N 3.33Å; L542-F544 PolarHBondContact O-N 3.21Å; F544-L546 PolarHBondContact O-N 3.15Å; F544-V547 WeakPolarHBondContact O-CB 3.48Å; F544-V547 VanDerWaalsContact O-CG2 3.3Å; F544-V547 WeakPolarHBondContact O-CG2 3.35Å; F544-V547 PolarHBondContact O-N 3.1Å |
| 545 | S | 94.2 | Very high | 93.7 | Very high | 1 Ų | 1 | 49.5 Ų | 49.5 | 1% | 0.007 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -61.7 | -25 | 177.1 | -60.6 | 0 | 0 | 0 | 0 | 113 | R348 L541 L542 I543 V547 G548 | R348-S545 PolarHBondContact NH1-OG 3.18Å; L541-S545 WeakPolarHBondContact O-CB 3.44Å; L541-S545 PolarHBondContact O-N 3.31Å; L541-S545 PolarHBondContact O-OG 3.32Å; L542-S545 WeakPolarHBondContact O-CB 3.36Å; L542-S545 PolarHBondContact O-N 3.32Å; L542-S545 VanDerWaalsContact O-N 3.1Å; I543-S545 VanDerWaalsContact C-N 3.27Å; I543-S545 PolarHBondContact O-N 3.24Å; S545-V547 PolarHBondContact O-N 2.97Å; S545-G548 PolarHBondContact O-N 3.48Å |
| 546 | L | 94.8 | Very high | 93.6 | Very high | 91 Ų | 91 | 48.5 Ų | 48.5 | 48% | 0.476 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -66.7 | -24.9 | 175.4 | -61 | 174.9 | 0 | 0 | 0 | 112.9 | V456 L542 I543 F544 G548 F549 | V456-L546 HydrophobicContact CG2-CD2 3.76Å; L542-L546 PolarHBondContact O-N 2.89Å; I543-L546 WeakPolarHBondContact O-CB 3.48Å; I543-L546 PolarHBondContact O-N 2.95Å; I543-L546 VanDerWaalsContact O-N 3.13Å; F544-L546 PolarHBondContact O-N 3.15Å; L546-G548 PolarHBondContact O-N 2.91Å; L546-G548 VanDerWaalsContact O-N 3.16Å; L546-F549 HydrophobicContact CD2-CE2 4.34Å; L546-F549 WeakPolarHBondContact O-CD2 3.26Å; L546-F549 PolarHBondContact O-N 3.31Å; L546-F549 VanDerWaalsContact O-N 3.13Å |
| 547 | V | 93.3 | Very high | 93.4 | Very high | 44 Ų | 44 | 48.7 Ų | 48.7 | 27% | 0.267 | 25% | 0.245 | S | C | . | . | G | 310 helix | trans | -59.4 | -25 | 171.7 | -177.7 | 0 | 0 | 0 | 0 | 110.8 | V340 I344 F544 S545 F549 L550 | V340-V547 HydrophobicContact CG1-CG1 3.93Å; I344-V547 HydrophobicContact CD1-CB 3.84Å; I344-V547 HydrophobicContact CD1-CG1 3.93Å; I344-V547 HydrophobicContact CD1-CG2 4.4Å; F544-V547 WeakPolarHBondContact O-CB 3.48Å; F544-V547 VanDerWaalsContact O-CG2 3.3Å; F544-V547 WeakPolarHBondContact O-CG2 3.35Å; F544-V547 PolarHBondContact O-N 3.1Å; S545-V547 PolarHBondContact O-N 2.97Å; V547-F549 PolarHBondContact O-N 3.16Å; V547-F549 VanDerWaalsContact O-N 3.11Å; V547-L550 HydrophobicContact CG1-CD1 3.76Å; V547-L550 HydrophobicContact CG1-CG 4.48Å; V547-L550 VanDerWaalsContact O-CB 3.3Å; V547-L550 WeakPolarHBondContact O-CB 3.46Å; V547-L550 WeakPolarHBondContact O-CG 3.39Å; V547-L550 PolarHBondContact O-N 3.32Å |
| 548 | G | 90.6 | Very high | 93.1 | Very high | 2 Ų | 2 | 51 Ų | 51 | 2% | 0.021 | 26% | 0.255 | C | S | . | . | G | 310 helix | trans | -52.5 | -29.8 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | N452 S545 L546 L550 P552 | N452-G548 PolarHBondContact ND2-O 3.09Å; N452-G548 VanDerWaalsContact OD1-CA 3.3Å; N452-G548 WeakPolarHBondContact OD1-CA 3.08Å; S545-G548 PolarHBondContact O-N 3.48Å; L546-G548 PolarHBondContact O-N 2.91Å; L546-G548 VanDerWaalsContact O-N 3.16Å; G548-L550 VanDerWaalsContact C-N 3.3Å; G548-L550 PolarHBondContact O-N 2.52Å; G548-P552 WeakPolarHBondContact O-CD 3.12Å |
| 549 | F | 94.1 | Very high | 92.8 | Very high | 60 Ų | 60 | 54 Ų | 54 | 26% | 0.263 | 27% | 0.266 | S | S | . | . | G | 310 helix | trans | -74.7 | -15.4 | 178.4 | -70.6 | -82.4 | 0 | 0 | 0 | 114 | N452 V456 L546 V547 L551 P552 C553 | N452-F549 HydrophobicContact CB-CD1 4.21Å; N452-F549 HydrophobicContact CB-CD2 4.35Å; N452-F549 HydrophobicContact CB-CE1 3.81Å; N452-F549 HydrophobicContact CB-CE2 3.95Å; N452-F549 HydrophobicContact CB-CG 4.47Å; N452-F549 HydrophobicContact CB-CZ 3.67Å; V456-F549 HydrophobicContact CG2-CE2 3.83Å; V456-F549 HydrophobicContact CG2-CZ 4.39Å; L546-F549 HydrophobicContact CD2-CE2 4.34Å; L546-F549 WeakPolarHBondContact O-CD2 3.26Å; L546-F549 PolarHBondContact O-N 3.31Å; L546-F549 VanDerWaalsContact O-N 3.13Å; V547-F549 PolarHBondContact O-N 3.16Å; V547-F549 VanDerWaalsContact O-N 3.11Å; F549-L551 VanDerWaalsContact C-N 3.32Å; F549-L551 PolarHBondContact O-N 3.25Å; F549-P552 WeakPolarHBondContact O-CD 3.22Å; F549-C553 WeakPolarHBondContact O-CB 3.36Å; F549-C553 PolarHBondContact O-N 3.26Å; F549-C553 VanDerWaalsContact O-N 3.1Å; F549-C553 PolarHBondContact O-SG 3.18Å |
| 550 | L | 92.5 | Very high | 92.4 | Very high | 78 Ų | 78 | 59.1 Ų | 59.1 | 41% | 0.408 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -64.9 | -35.8 | 179 | -63.3 | 179.8 | 0 | 0 | 0 | 112.3 | W337 V547 G548 C553 Y554 | W337-L550 HydrophobicContact CD2-CB 4.44Å; W337-L550 HydrophobicContact CE3-CB 3.91Å; W337-L550 HydrophobicContact CE3-CD1 4.36Å; W337-L550 HydrophobicContact CH2-CB 4.13Å; W337-L550 HydrophobicContact CH2-CD1 3.49Å; W337-L550 VanDerWaalsContact CH2-CD1 3.49Å; W337-L550 HydrophobicContact CH2-CG 4.41Å; W337-L550 HydrophobicContact CZ3-CB 3.76Å; W337-L550 HydrophobicContact CZ3-CD1 3.4Å; W337-L550 HydrophobicContact CZ3-CG 4.23Å; V547-L550 HydrophobicContact CG1-CD1 3.76Å; V547-L550 HydrophobicContact CG1-CG 4.48Å; V547-L550 VanDerWaalsContact O-CB 3.3Å; V547-L550 WeakPolarHBondContact O-CB 3.46Å; V547-L550 WeakPolarHBondContact O-CG 3.39Å; V547-L550 PolarHBondContact O-N 3.32Å; G548-L550 VanDerWaalsContact C-N 3.3Å; G548-L550 PolarHBondContact O-N 2.52Å; L550-C553 PolarHBondContact O-N 2.93Å; L550-Y554 WeakPolarHBondContact O-CB 3.49Å; L550-Y554 PolarHBondContact O-N 2.92Å |
| 551 | L | 92.3 | Very high | 92 | Very high | 0 Ų | 0 | 59.3 Ų | 59.3 | 0% | 0 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -62.8 | -56.3 | 176.4 | 172.3 | 70.1 | 0 | 0 | 0 | 111.5 | W337 V341 F448 L491 F549 C553 Y554 L555 | W337-L551 HydrophobicContact CB-CB 4.09Å; W337-L551 HydrophobicContact CB-CD1 3.64Å; W337-L551 HydrophobicContact CB-CG 4.47Å; V341-L551 HydrophobicContact CB-CD2 4.47Å; V341-L551 HydrophobicContact CG2-CB 3.65Å; V341-L551 HydrophobicContact CG2-CD2 4.16Å; F448-L551 HydrophobicContact CD1-CD2 3.83Å; F448-L551 HydrophobicContact CD2-CD2 4.18Å; F448-L551 HydrophobicContact CE1-CD2 3.66Å; F448-L551 HydrophobicContact CE2-CD2 4.05Å; F448-L551 HydrophobicContact CG-CD2 4.09Å; F448-L551 HydrophobicContact CZ-CD2 3.78Å; L491-L551 HydrophobicContact CD2-CD2 4.44Å; F549-L551 VanDerWaalsContact C-N 3.32Å; F549-L551 PolarHBondContact O-N 3.25Å; L551-C553 VanDerWaalsContact C-N 3.29Å; L551-C553 PolarHBondContact O-N 3.46Å; L551-Y554 PolarHBondContact O-N 3.17Å; L551-L555 HydrophobicContact CD1-CD1 4.15Å; L551-L555 HydrophobicContact CD1-CD2 4.27Å; L551-L555 HydrophobicContact CD1-CG 3.97Å; L551-L555 HydrophobicContact CG-CD1 4.16Å; L551-L555 HydrophobicContact CG-CG 4.31Å; L551-L555 WeakPolarHBondContact O-CB 3.15Å; L551-L555 VanDerWaalsContact O-CG 3.3Å; L551-L555 WeakPolarHBondContact O-CG 3.17Å; L551-L555 PolarHBondContact O-N 3.18Å |
| 552 | P | 92.9 | Very high | 91.4 | Very high | 5 Ų | 5 | 61.4 Ų | 61.4 | 3% | 0.032 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -52.3 | -42.5 | 172.5 | -29.6 | 33.7 | 0 | 0 | 0 | 114.7 | F448 I449 G548 F549 L555 F556 | F448-P552 HydrophobicContact CB-CG 3.76Å; I449-P552 HydrophobicContact CD1-CB 4.22Å; I449-P552 HydrophobicContact CG1-CB 3.6Å; I449-P552 HydrophobicContact CG1-CG 3.98Å; G548-P552 WeakPolarHBondContact O-CD 3.12Å; F549-P552 WeakPolarHBondContact O-CD 3.22Å; P552-L555 PolarHBondContact O-N 3.26Å; P552-F556 VanDerWaalsContact O-CB 3.31Å; P552-F556 WeakPolarHBondContact O-CB 3.37Å; P552-F556 PolarHBondContact O-N 3.13Å |
| 553 | C | 92.1 | Very high | 90.9 | Very high | 82 Ų | 82 | 63.7 Ų | 63.7 | 55% | 0.554 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -60.9 | -46.1 | 177.3 | -72.4 | 0 | 0 | 0 | 0 | 111.5 | F549 L550 L551 F556 Y557 | F549-C553 WeakPolarHBondContact O-CB 3.36Å; F549-C553 PolarHBondContact O-N 3.26Å; F549-C553 VanDerWaalsContact O-N 3.1Å; F549-C553 PolarHBondContact O-SG 3.18Å; L550-C553 PolarHBondContact O-N 2.93Å; L551-C553 VanDerWaalsContact C-N 3.29Å; L551-C553 PolarHBondContact O-N 3.46Å; C553-F556 PolarHBondContact O-N 3.3Å; C553-Y557 PolarHBondContact O-N 3.45Å |
| 554 | Y | 92.9 | Very high | 90.4 | Very high | 65 Ų | 65 | 67.1 Ų | 67.1 | 26% | 0.255 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -64 | -45.3 | 176 | -178.3 | -93.4 | 0 | 0 | 0 | 112 | P333 I334 W337 L550 L551 F556 Y557 H558 | P333-Y554 HydrophobicContact CB-CE1 4.09Å; P333-Y554 HydrophobicContact CB-CE2 4.25Å; P333-Y554 HydrophobicContact CG-CE1 4.09Å; P333-Y554 WeakPolarHBondContact CG-OH 2.85Å; I334-Y554 HydrophobicContact CG1-CD1 4.17Å; I334-Y554 HydrophobicContact CG1-CE1 3.64Å; W337-Y554 AromaticContact CD1-CG 3.89Å; L550-Y554 WeakPolarHBondContact O-CB 3.49Å; L550-Y554 PolarHBondContact O-N 2.92Å; L551-Y554 PolarHBondContact O-N 3.17Å; Y554-F556 VanDerWaalsContact C-N 3.28Å; Y554-F556 PolarHBondContact O-N 3.08Å; Y554-Y557 WeakPolarHBondContact O-CB 3.36Å; Y554-Y557 PolarHBondContact O-N 3.19Å; Y554-H558 HydrophobicContact CE1-CB 4.34Å; Y554-H558 WeakPolarHBondContact O-CB 3.35Å; Y554-H558 PolarHBondContact O-N 2.77Å |
| 555 | L | 90.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 66.6 Ų | 66.6 | 0% | 0 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.8 | -35.5 | 177.7 | -69.1 | -174.1 | 0 | 0 | 0 | 111.9 | I334 L441 I445 L491 L551 P552 H558 R559 | I334-L555 HydrophobicContact CB-CD2 4.44Å; I334-L555 HydrophobicContact CD1-CD2 4.21Å; I334-L555 HydrophobicContact CG1-CD2 3.97Å; I334-L555 HydrophobicContact CG2-CD2 3.82Å; L441-L555 HydrophobicContact CD1-CB 4.49Å; L441-L555 HydrophobicContact CD1-CD1 4.36Å; L441-L555 HydrophobicContact CD1-CD2 4.01Å; I445-L555 HydrophobicContact CD1-CB 3.86Å; I445-L555 HydrophobicContact CG1-CB 3.49Å; I445-L555 VanDerWaalsContact CG1-CB 3.49Å; I445-L555 HydrophobicContact CG1-CD1 4.03Å; I445-L555 HydrophobicContact CG1-CG 4.43Å; L491-L555 HydrophobicContact CD1-CD1 3.9Å; L491-L555 HydrophobicContact CD1-CD2 4.34Å; L491-L555 HydrophobicContact CD2-CD1 4.5Å; L551-L555 HydrophobicContact CD1-CD1 4.15Å; L551-L555 HydrophobicContact CD1-CD2 4.27Å; L551-L555 HydrophobicContact CD1-CG 3.97Å; L551-L555 HydrophobicContact CG-CD1 4.16Å; L551-L555 HydrophobicContact CG-CG 4.31Å; L551-L555 WeakPolarHBondContact O-CB 3.15Å; L551-L555 VanDerWaalsContact O-CG 3.3Å; L551-L555 WeakPolarHBondContact O-CG 3.17Å; L551-L555 PolarHBondContact O-N 3.18Å; P552-L555 PolarHBondContact O-N 3.26Å; L555-H558 PolarHBondContact O-N 3.11Å; L555-R559 VanDerWaalsContact O-CB 3.25Å; L555-R559 WeakPolarHBondContact O-CB 3.5Å; L555-R559 PolarHBondContact O-N 3.26Å |
| 556 | F | 90.7 | Very high | 89.2 | Confident | 87 Ų | 87 | 68.7 Ų | 68.7 | 38% | 0.382 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 174.9 | -174.7 | -102.4 | 0 | 0 | 0 | 111.9 | P552 C553 Y554 R559 R560 | P552-F556 VanDerWaalsContact O-CB 3.31Å; P552-F556 WeakPolarHBondContact O-CB 3.37Å; P552-F556 PolarHBondContact O-N 3.13Å; C553-F556 PolarHBondContact O-N 3.3Å; Y554-F556 VanDerWaalsContact C-N 3.28Å; Y554-F556 PolarHBondContact O-N 3.08Å; F556-R559 PolarHBondContact O-N 2.69Å; F556-R560 VanDerWaalsContact CE1-NH2 3.35Å; F556-R560 PolarHBondContact O-N 3.18Å |
| 557 | Y | 90.3 | Very high | 88.6 | Confident | 171 Ų | 171 | 66.8 Ų | 66.8 | 67% | 0.671 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.7 | -48.5 | 172 | 177.4 | -97.7 | 0 | 0 | 0 | 111.6 | C553 Y554 R559 R560 G561 | C553-Y557 PolarHBondContact O-N 3.45Å; Y554-Y557 WeakPolarHBondContact O-CB 3.36Å; Y554-Y557 PolarHBondContact O-N 3.19Å; Y557-R559 PolarHBondContact O-N 2.89Å; Y557-R560 WeakPolarHBondContact O-CB 3.45Å; Y557-R560 PolarHBondContact O-N 2.96Å; Y557-R560 VanDerWaalsContact O-N 3.16Å; Y557-G561 PolarHBondContact O-N 3.47Å |
| 558 | H | 88.8 | Confident | 88.1 | Confident | 59 Ų | 59 | 70.9 Ų | 70.9 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.5 | -42.9 | 178.4 | -175.2 | 65 | 0 | 0 | 0 | 112.1 | Y554 L555 R560 G561 L562 | Y554-H558 HydrophobicContact CE1-CB 4.34Å; Y554-H558 WeakPolarHBondContact O-CB 3.35Å; Y554-H558 PolarHBondContact O-N 2.77Å; L555-H558 PolarHBondContact O-N 3.11Å; H558-R560 VanDerWaalsContact C-N 3.35Å; H558-R560 PolarHBondContact O-N 3.35Å; H558-G561 PolarHBondContact O-N 2.88Å; H558-G561 VanDerWaalsContact O-N 3.15Å; H558-L562 PolarHBondContact O-N 3.26Å |
| 559 | R | 88.1 | Confident | 87.7 | Confident | 67 Ų | 67 | 76.2 Ų | 76.2 | 25% | 0.253 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.7 | -42.8 | 174.8 | -178.6 | -176.8 | 169.9 | -146.9 | -3.5 | 111.9 | I438 L441 S442 I445 L555 F556 Y557 G561 L562 I563 | I438-R559 HydrophobicContact CG2-CG 4.12Å; L441-R559 HydrophobicContact CD2-CB 3.89Å; L441-R559 HydrophobicContact CD2-CG 4.43Å; S442-R559 PolarHBondContact OG-NH1 2.92Å; I445-R559 HydrophobicContact CD1-CB 4.25Å; L555-R559 VanDerWaalsContact O-CB 3.25Å; L555-R559 WeakPolarHBondContact O-CB 3.5Å; L555-R559 PolarHBondContact O-N 3.26Å; F556-R559 PolarHBondContact O-N 2.69Å; Y557-R559 PolarHBondContact O-N 2.89Å; R559-G561 VanDerWaalsContact C-N 3.3Å; R559-G561 PolarHBondContact O-N 2.85Å; R559-L562 PolarHBondContact O-N 3.01Å; R559-I563 HydrophobicContact CG-CD1 3.96Å; R559-I563 VanDerWaalsContact O-CG1 3.29Å; R559-I563 WeakPolarHBondContact O-CG1 3.23Å; R559-I563 PolarHBondContact O-N 3.46Å |
| 560 | R | 87.6 | Confident | 87.1 | Confident | 139 Ų | 139 | 77.3 Ų | 77.3 | 53% | 0.525 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -62.4 | -39.1 | 175.8 | -76.9 | -177.7 | 172 | -172.4 | -2.2 | 111.6 | F556 Y557 H558 I563 R564 | F556-R560 VanDerWaalsContact CE1-NH2 3.35Å; F556-R560 PolarHBondContact O-N 3.18Å; Y557-R560 WeakPolarHBondContact O-CB 3.45Å; Y557-R560 PolarHBondContact O-N 2.96Å; Y557-R560 VanDerWaalsContact O-N 3.16Å; H558-R560 VanDerWaalsContact C-N 3.35Å; H558-R560 PolarHBondContact O-N 3.35Å; R560-I563 PolarHBondContact O-N 3.47Å; R560-R564 WeakPolarHBondContact O-CG 3.43Å; R560-R564 PolarHBondContact O-N 3.39Å; R560-R564 VanDerWaalsContact O-N 3.08Å |
| 561 | G | 86 | Confident | 86.6 | Confident | 28 Ų | 28 | 77.8 Ų | 77.8 | 29% | 0.289 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58 | -52.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y557 H558 R559 I563 R564 E565 | Y557-G561 PolarHBondContact O-N 3.47Å; H558-G561 PolarHBondContact O-N 2.88Å; H558-G561 VanDerWaalsContact O-N 3.15Å; R559-G561 VanDerWaalsContact C-N 3.3Å; R559-G561 PolarHBondContact O-N 2.85Å; G561-I563 VanDerWaalsContact C-N 3.31Å; G561-I563 PolarHBondContact O-N 2.77Å; G561-R564 WeakPolarHBondContact O-CB 3.28Å; G561-R564 PolarHBondContact O-N 2.77Å; G561-E565 PolarHBondContact O-N 3.38Å |
| 562 | L | 83.4 | Confident | 86 | Confident | 55 Ų | 55 | 82.1 Ų | 82.1 | 29% | 0.288 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -59.5 | -38.7 | 178.5 | -69.3 | 173.8 | 0 | 0 | 0 | 113.2 | L441 H558 R559 R564 K566 | L441-L562 HydrophobicContact CD2-CD1 4.04Å; H558-L562 PolarHBondContact O-N 3.26Å; R559-L562 PolarHBondContact O-N 3.01Å; L562-R564 VanDerWaalsContact C-N 3.35Å; L562-K566 VanDerWaalsContact O-CB 3.3Å; L562-K566 WeakPolarHBondContact O-CB 3.44Å; L562-K566 PolarHBondContact O-N 3.01Å |
| 563 | I | 83.3 | Confident | 85.3 | Confident | 73 Ų | 73 | 84.3 Ų | 84.3 | 37% | 0.374 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -65.4 | -39.8 | 176.1 | -68.8 | 165.8 | 0 | 0 | 0 | 110.8 | I438 R559 R560 G561 A567 | I438-I563 HydrophobicContact CD1-CG1 4.06Å; I438-I563 HydrophobicContact CG2-CD1 4.29Å; I438-I563 HydrophobicContact CG2-CG1 4.13Å; R559-I563 HydrophobicContact CG-CD1 3.96Å; R559-I563 VanDerWaalsContact O-CG1 3.29Å; R559-I563 WeakPolarHBondContact O-CG1 3.23Å; R559-I563 PolarHBondContact O-N 3.46Å; R560-I563 PolarHBondContact O-N 3.47Å; G561-I563 VanDerWaalsContact C-N 3.31Å; G561-I563 PolarHBondContact O-N 2.77Å; I563-A567 WeakPolarHBondContact O-CB 3.4Å; I563-A567 PolarHBondContact O-N 3.06Å |
| 564 | R | 85 | Confident | 84.5 | Confident | 178 Ų | 178 | 82.6 Ų | 82.6 | 67% | 0.672 | 41% | 0.408 | S | S | * | . | H | α-helix | trans | -67.8 | -46.6 | 177.9 | -73.5 | 175.2 | 178.4 | -178.6 | -1.9 | 112.1 | R560 G561 L562 K566 A567 Q568 | R560-R564 WeakPolarHBondContact O-CG 3.43Å; R560-R564 PolarHBondContact O-N 3.39Å; R560-R564 VanDerWaalsContact O-N 3.08Å; G561-R564 WeakPolarHBondContact O-CB 3.28Å; G561-R564 PolarHBondContact O-N 2.77Å; L562-R564 VanDerWaalsContact C-N 3.35Å; R564-K566 VanDerWaalsContact C-N 3.27Å; R564-K566 PolarHBondContact O-N 2.93Å; R564-A567 PolarHBondContact O-N 3.39Å; R564-Q568 WeakPolarHBondContact O-CG 3.25Å; R564-Q568 PolarHBondContact O-N 2.67Å |
| 565 | E | 84.2 | Confident | 83.6 | Confident | 113 Ų | 113 | 82.5 Ų | 82.5 | 53% | 0.528 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -58.6 | -42.8 | 175.5 | -73 | 174.8 | -175.2 | 0 | 0 | 110.9 | G561 Q568 L569 | G561-E565 PolarHBondContact O-N 3.38Å; E565-Q568 WeakPolarHBondContact O-CB 3.38Å; E565-Q568 PolarHBondContact O-N 3.47Å; E565-L569 WeakPolarHBondContact O-CG 3.31Å; E565-L569 PolarHBondContact O-N 3.48Å |
| 566 | K | 81 | Confident | 82.8 | Confident | 46 Ų | 46 | 88.2 Ų | 88.2 | 20% | 0.2 | 44% | 0.443 | C | S | . | . | H | α-helix | trans | -64.2 | -45.4 | 176 | -175.6 | 171.8 | -176.4 | 167.8 | 0 | 112.4 | D435 I438 L562 R564 Q568 L569 D570 | D435-K566 IonicContact OD2-NZ 3.49Å; D435-K566 PolarHBondContact OD2-NZ 2.92Å; I438-K566 HydrophobicContact CD1-CD 4.15Å; L562-K566 VanDerWaalsContact O-CB 3.3Å; L562-K566 WeakPolarHBondContact O-CB 3.44Å; L562-K566 PolarHBondContact O-N 3.01Å; R564-K566 VanDerWaalsContact C-N 3.27Å; R564-K566 PolarHBondContact O-N 2.93Å; K566-Q568 PolarHBondContact O-N 2.96Å; K566-L569 PolarHBondContact O-N 3.42Å; K566-L569 VanDerWaalsContact O-N 3.12Å; K566-D570 WeakPolarHBondContact O-CB 3.38Å; K566-D570 PolarHBondContact O-N 3.32Å |
| 567 | A | 81.8 | Confident | 81.9 | Confident | 51 Ų | 51 | 87 Ų | 87 | 42% | 0.421 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -59 | -37.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | I563 R564 V571 | I563-A567 WeakPolarHBondContact O-CB 3.4Å; I563-A567 PolarHBondContact O-N 3.06Å; R564-A567 PolarHBondContact O-N 3.39Å; A567-V571 WeakPolarHBondContact O-CB 3.38Å; A567-V571 WeakPolarHBondContact O-CG2 3.34Å; A567-V571 PolarHBondContact O-N 3.14Å |
| 568 | Q | 82.9 | Confident | 81 | Confident | 129 Ų | 129 | 84.8 Ų | 84.8 | 60% | 0.603 | 44% | 0.441 | S | S | * | . | H | α-helix | trans | -66.4 | -43.9 | 173.7 | -71.2 | 175.9 | -19.6 | 0 | 0 | 112.3 | R564 E565 K566 V571 I572 | R564-Q568 WeakPolarHBondContact O-CG 3.25Å; R564-Q568 PolarHBondContact O-N 2.67Å; E565-Q568 WeakPolarHBondContact O-CB 3.38Å; E565-Q568 PolarHBondContact O-N 3.47Å; K566-Q568 PolarHBondContact O-N 2.96Å; Q568-V571 PolarHBondContact O-N 3.41Å; Q568-I572 VanDerWaalsContact O-CG1 3.26Å; Q568-I572 WeakPolarHBondContact O-CG1 3.49Å; Q568-I572 PolarHBondContact O-N 3.14Å |
| 569 | L | 82 | Confident | 80.1 | Confident | 114 Ų | 114 | 88.7 Ų | 88.7 | 60% | 0.597 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -63.8 | -40.7 | 176.4 | -71.8 | 170.6 | 0 | 0 | 0 | 112.3 | E565 K566 V571 I572 A573 | E565-L569 WeakPolarHBondContact O-CG 3.31Å; E565-L569 PolarHBondContact O-N 3.48Å; K566-L569 PolarHBondContact O-N 3.42Å; K566-L569 VanDerWaalsContact O-N 3.12Å; L569-V571 VanDerWaalsContact C-N 3.33Å; L569-I572 PolarHBondContact O-N 3.06Å; L569-A573 WeakPolarHBondContact O-CB 3.45Å; L569-A573 PolarHBondContact O-N 3.45Å |
| 570 | D | 80.9 | Confident | 79.2 | Confident | 83 Ų | 83 | 92 Ų | 92 | 44% | 0.444 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.4 | -38.2 | 176.9 | -71.5 | -22 | 0 | 0 | 0 | 110.8 | K566 A574 | K566-D570 WeakPolarHBondContact O-CB 3.38Å; K566-D570 PolarHBondContact O-N 3.32Å; D570-A574 WeakPolarHBondContact O-CB 3.39Å; D570-A574 PolarHBondContact O-N 3.36Å |
| 571 | V | 82.1 | Confident | 78.2 | Confident | 89 Ų | 89 | 90.3 Ų | 90.3 | 54% | 0.539 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -65.7 | -45.5 | 172.8 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | A567 Q568 L569 A573 A574 C575 | A567-V571 WeakPolarHBondContact O-CB 3.38Å; A567-V571 WeakPolarHBondContact O-CG2 3.34Å; A567-V571 PolarHBondContact O-N 3.14Å; Q568-V571 PolarHBondContact O-N 3.41Å; L569-V571 VanDerWaalsContact C-N 3.33Å; V571-A573 VanDerWaalsContact C-N 3.33Å; V571-A573 PolarHBondContact O-N 2.77Å; V571-A574 PolarHBondContact O-N 3.48Å; V571-C575 PolarHBondContact O-N 3.47Å; V571-C575 PolarHBondContact O-SG 2.99Å; V571-C575 VanDerWaalsContact O-SG 3.37Å |
| 572 | I | 80.1 | Confident | 77.4 | Confident | 91 Ų | 91 | 95.1 Ų | 95.1 | 47% | 0.467 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -61.3 | -43.6 | 177.3 | -69.1 | 163.7 | 0 | 0 | 0 | 110.7 | Q568 L569 C575 Q576 | Q568-I572 VanDerWaalsContact O-CG1 3.26Å; Q568-I572 WeakPolarHBondContact O-CG1 3.49Å; Q568-I572 PolarHBondContact O-N 3.14Å; L569-I572 PolarHBondContact O-N 3.06Å; I572-C575 PolarHBondContact O-N 2.88Å; I572-Q576 WeakPolarHBondContact O-CG 3.36Å; I572-Q576 PolarHBondContact O-N 3.1Å |
| 573 | A | 77.2 | Confident | 76.7 | Confident | 51 Ų | 51 | 97.6 Ų | 97.6 | 42% | 0.421 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.6 | -40.2 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112 | L569 V571 Q576 S577 | L569-A573 WeakPolarHBondContact O-CB 3.45Å; L569-A573 PolarHBondContact O-N 3.45Å; V571-A573 VanDerWaalsContact C-N 3.33Å; V571-A573 PolarHBondContact O-N 2.77Å; A573-Q576 PolarHBondContact O-N 3.17Å; A573-S577 PolarHBondContact O-N 3.24Å; A573-S577 PolarHBondContact O-OG 3.2Å |
| 574 | A | 76.6 | Confident | 75.6 | Confident | 45 Ų | 45 | 98.9 Ų | 98.9 | 37% | 0.372 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -61.7 | -47.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | D570 V571 Q576 S577 E578 | D570-A574 WeakPolarHBondContact O-CB 3.39Å; D570-A574 PolarHBondContact O-N 3.36Å; V571-A574 PolarHBondContact O-N 3.48Å; A574-Q576 VanDerWaalsContact C-N 3.32Å; A574-Q576 PolarHBondContact O-N 3.16Å; A574-S577 PolarHBondContact O-N 2.99Å; A574-S577 PolarHBondContact O-OG 2.98Å; A574-E578 PolarHBondContact O-N 3.43Å |
| 575 | C | 73.8 | Confident | 74.6 | Confident | 63 Ų | 63 | 95.5 Ų | 95.5 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63 | -34.2 | 176.6 | -68.6 | 0 | 0 | 0 | 0 | 113.3 | V571 I572 K579 | V571-C575 PolarHBondContact O-N 3.47Å; V571-C575 PolarHBondContact O-SG 2.99Å; V571-C575 VanDerWaalsContact O-SG 3.37Å; I572-C575 PolarHBondContact O-N 2.88Å; C575-K579 PolarHBondContact O-N 3.07Å; C575-K579 VanDerWaalsContact O-N 3.15Å |
| 576 | Q | 72.9 | Confident | 73.4 | Confident | 121 Ų | 121 | 96 Ų | 96 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -67.4 | -41.5 | 173.9 | -76.9 | 177.4 | -22.5 | 0 | 0 | 111.7 | I572 A573 A574 K579 E580 | I572-Q576 WeakPolarHBondContact O-CG 3.36Å; I572-Q576 PolarHBondContact O-N 3.1Å; A573-Q576 PolarHBondContact O-N 3.17Å; A574-Q576 VanDerWaalsContact C-N 3.32Å; A574-Q576 PolarHBondContact O-N 3.16Å; Q576-K579 PolarHBondContact O-N 3.14Å; Q576-E580 PolarHBondContact O-N 3.39Å |
| 577 | S | 71.1 | Confident | 72.2 | Confident | 60 Ų | 60 | 96.6 Ų | 96.6 | 42% | 0.42 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -33.7 | 177.5 | 65.7 | 0 | 0 | 0 | 0 | 113.4 | A573 A574 N581 | A573-S577 PolarHBondContact O-N 3.24Å; A573-S577 PolarHBondContact O-OG 3.2Å; A574-S577 PolarHBondContact O-N 2.99Å; A574-S577 PolarHBondContact O-OG 2.98Å; S577-N581 WeakPolarHBondContact O-CB 3.06Å; S577-N581 PolarHBondContact O-N 3.14Å; S577-N581 VanDerWaalsContact O-N 3.09Å |
| 578 | E | 72.2 | Confident | 70.8 | Confident | 126 Ų | 126 | 99.2 Ų | 99.2 | 59% | 0.589 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.2 | -43.8 | 173 | -75.8 | 176.7 | 163.6 | 0 | 0 | 111.1 | A574 N581 E582 | A574-E578 PolarHBondContact O-N 3.43Å; E578-N581 PolarHBondContact O-N 3.28Å; E578-E582 PolarHBondContact O-N 3.02Å |
| 579 | K | 70.3 | Confident | 69.2 | Low | 141 Ų | 141 | 97.1 Ų | 97.1 | 61% | 0.613 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -61.9 | -45.3 | 174.6 | -81.3 | -174.6 | 174.4 | -173.5 | 0 | 113.3 | C575 Q576 N581 E582 D583 | C575-K579 PolarHBondContact O-N 3.07Å; C575-K579 VanDerWaalsContact O-N 3.15Å; Q576-K579 PolarHBondContact O-N 3.14Å; K579-N581 VanDerWaalsContact C-N 3.27Å; K579-N581 PolarHBondContact O-N 3.02Å; K579-E582 PolarHBondContact O-N 2.99Å; K579-D583 WeakPolarHBondContact O-CB 3.3Å; K579-D583 PolarHBondContact O-N 3.46Å |
| 580 | E | 68.1 | Low | 67.7 | Low | 137 Ų | 137 | 98.4 Ų | 98.4 | 64% | 0.64 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -60.8 | -37.6 | 175.7 | -82.5 | -176.7 | 158.9 | 0 | 0 | 111.9 | Q576 L584 | Q576-E580 PolarHBondContact O-N 3.39Å; E580-L584 WeakPolarHBondContact O-CB 3.5Å; E580-L584 WeakPolarHBondContact O-CD1 3.21Å; E580-L584 WeakPolarHBondContact O-CG 3.5Å; E580-L584 PolarHBondContact O-N 3.24Å |
| 581 | N | 67.5 | Low | 66.2 | Low | 103 Ų | 103 | 100.1 Ų | 100.1 | 55% | 0.551 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -67.9 | -41 | 174.8 | -104.5 | -8.6 | 0 | 0 | 0 | 112.3 | S577 E578 K579 L584 I585 | S577-N581 WeakPolarHBondContact O-CB 3.06Å; S577-N581 PolarHBondContact O-N 3.14Å; S577-N581 VanDerWaalsContact O-N 3.09Å; E578-N581 PolarHBondContact O-N 3.28Å; K579-N581 VanDerWaalsContact C-N 3.27Å; K579-N581 PolarHBondContact O-N 3.02Å; N581-L584 PolarHBondContact O-N 3.15Å; N581-I585 WeakPolarHBondContact O-CD1 3.43Å; N581-I585 WeakPolarHBondContact O-CG1 3.06Å; N581-I585 PolarHBondContact O-N 2.91Å |
| 582 | E | 68.8 | Low | 64.6 | Low | 129 Ų | 129 | 103.8 Ų | 103.8 | 60% | 0.603 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.6 | -44.5 | 175.1 | -76.3 | -175.8 | 161.1 | 0 | 0 | 111.6 | E578 K579 L584 I585 Q586 | E578-E582 PolarHBondContact O-N 3.02Å; K579-E582 PolarHBondContact O-N 2.99Å; E582-L584 VanDerWaalsContact C-N 3.34Å; E582-L584 PolarHBondContact O-N 3.47Å; E582-I585 PolarHBondContact O-N 3.17Å; E582-Q586 WeakPolarHBondContact O-CB 3.28Å; E582-Q586 PolarHBondContact O-N 3.17Å |
| 583 | D | 68.6 | Low | 62.9 | Low | 107 Ų | 107 | 102.5 Ų | 102.5 | 57% | 0.572 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -63.5 | -38 | 176.9 | -71.1 | -24.1 | 0 | 0 | 0 | 111.7 | K579 Q586 S587 | K579-D583 WeakPolarHBondContact O-CB 3.3Å; K579-D583 PolarHBondContact O-N 3.46Å; D583-Q586 PolarHBondContact O-N 2.85Å; D583-S587 WeakPolarHBondContact O-CB 3.33Å; D583-S587 PolarHBondContact O-N 2.94Å |
| 584 | L | 61.5 | Low | 61.3 | Low | 100 Ų | 100 | 104.8 Ų | 104.8 | 52% | 0.524 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -65.8 | -40.7 | 173.2 | -87.1 | 159 | 0 | 0 | 0 | 112.7 | E580 N581 E582 Q586 N588 | E580-L584 WeakPolarHBondContact O-CB 3.5Å; E580-L584 WeakPolarHBondContact O-CD1 3.21Å; E580-L584 WeakPolarHBondContact O-CG 3.5Å; E580-L584 PolarHBondContact O-N 3.24Å; N581-L584 PolarHBondContact O-N 3.15Å; E582-L584 VanDerWaalsContact C-N 3.34Å; E582-L584 PolarHBondContact O-N 3.47Å; L584-Q586 VanDerWaalsContact C-N 3.32Å; L584-N588 WeakPolarHBondContact O-CB 3.47Å; L584-N588 PolarHBondContact O-N 2.05Å; L584-N588 VanDerWaalsContact O-N 3.08Å |
| 585 | I | 63.2 | Low | 59.7 | Low | 106 Ų | 106 | 107.7 Ų | 107.7 | 54% | 0.544 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -65.9 | -40.1 | 176 | -69.5 | 163.8 | 0 | 0 | 0 | 109.9 | N581 E582 N588 C589 | N581-I585 WeakPolarHBondContact O-CD1 3.43Å; N581-I585 WeakPolarHBondContact O-CG1 3.06Å; N581-I585 PolarHBondContact O-N 2.91Å; E582-I585 PolarHBondContact O-N 3.17Å; I585-N588 PolarHBondContact O-N 2.94Å; I585-C589 PolarHBondContact O-N 3.25Å; I585-C589 VanDerWaalsContact O-N 3.07Å; I585-C589 PolarHBondContact O-SG 2.99Å |
| 586 | Q | 58.1 | Low | 58.3 | Low | 123 Ų | 123 | 113.4 Ų | 113.4 | 58% | 0.575 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -71.1 | -39.4 | -179.7 | -162.2 | 152.9 | -13.8 | 0 | 0 | 112.3 | E582 D583 L584 C589 E590 | E582-Q586 WeakPolarHBondContact O-CB 3.28Å; E582-Q586 PolarHBondContact O-N 3.17Å; D583-Q586 PolarHBondContact O-N 2.85Å; L584-Q586 VanDerWaalsContact C-N 3.32Å; Q586-C589 PolarHBondContact O-N 3.48Å; Q586-E590 PolarHBondContact O-N 3.41Å |
| 587 | S | 55.9 | Low | 57 | Low | 60 Ų | 60 | 119 Ų | 119 | 42% | 0.42 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -61.1 | -42 | 171.3 | 177.2 | 0 | 0 | 0 | 0 | 112.7 | D583 C589 E590 D591 | D583-S587 WeakPolarHBondContact O-CB 3.33Å; D583-S587 PolarHBondContact O-N 2.94Å; S587-C589 VanDerWaalsContact C-N 3.33Å; S587-E590 PolarHBondContact O-N 3.16Å; S587-D591 PolarHBondContact O-N 2.97Å |
| 588 | N | 52.7 | Low | 55.5 | Low | 106 Ų | 106 | 119.2 Ų | 119.2 | 57% | 0.567 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -68.5 | -32.9 | 177.7 | -80.5 | -17.5 | 0 | 0 | 0 | 112.4 | L584 I585 E592 | L584-N588 WeakPolarHBondContact O-CB 3.47Å; L584-N588 PolarHBondContact O-N 2.05Å; L584-N588 VanDerWaalsContact O-N 3.08Å; I585-N588 PolarHBondContact O-N 2.94Å; N588-E592 PolarHBondContact O-N 3.11Å |
| 589 | C | 50.1 | Low | 53.8 | Low | 85 Ų | 85 | 121 Ų | 121 | 57% | 0.574 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -70.2 | -32.3 | 173.9 | -77.9 | 0 | 0 | 0 | 0 | 112.8 | I585 Q586 S587 G593 | I585-C589 PolarHBondContact O-N 3.25Å; I585-C589 VanDerWaalsContact O-N 3.07Å; I585-C589 PolarHBondContact O-SG 2.99Å; Q586-C589 PolarHBondContact O-N 3.48Å; S587-C589 VanDerWaalsContact C-N 3.33Å; C589-G593 PolarHBondContact O-N 2.78Å |
| 590 | E | 50.9 | Low | 52.4 | Low | 141 Ų | 141 | 122 Ų | 122 | 66% | 0.659 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -72.6 | -35.4 | 176.1 | -74.9 | -175.7 | 168.3 | 0 | 0 | 112.5 | Q586 S587 G593 S594 | Q586-E590 PolarHBondContact O-N 3.41Å; S587-E590 PolarHBondContact O-N 3.16Å; E590-G593 PolarHBondContact O-N 3.41Å; E590-S594 PolarHBondContact O-N 3.39Å |
| 591 | D | 48.9 | Very low | 51.1 | Low | 119 Ų | 119 | 121.1 Ų | 121.1 | 64% | 0.636 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -70.1 | -34 | 175.3 | -93 | -24 | 0 | 0 | 0 | 113 | S587 G593 | S587-D591 PolarHBondContact O-N 2.97Å; D591-G593 VanDerWaalsContact C-N 3.32Å; D591-G593 PolarHBondContact O-N 2.77Å |
| 592 | E | 47.6 | Very low | 49.7 | Very low | 166 Ų | 166 | 124 Ų | 124 | 78% | 0.776 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -72.6 | -23.3 | 173.1 | -77.5 | -161.2 | 159.4 | 0 | 0 | 113.4 | N588 | N588-E592 PolarHBondContact O-N 3.11Å |
| 593 | G | 44.6 | Very low | 47.9 | Very low | 63 Ų | 63 | 121.5 Ų | 121.5 | 65% | 0.649 | 69% | 0.689 | S | S | * | * | H | α-helix | trans | -75.2 | -24.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | C589 E590 D591 | C589-G593 PolarHBondContact O-N 2.78Å; E590-G593 PolarHBondContact O-N 3.41Å; D591-G593 VanDerWaalsContact C-N 3.32Å; D591-G593 PolarHBondContact O-N 2.77Å |
| 594 | S | 44.6 | Very low | 46.5 | Very low | 99 Ų | 99 | 125 Ų | 125 | 69% | 0.692 | 70% | 0.702 | S | S | * | * | H | α-helix | trans | -85.8 | -16.5 | -176.9 | -170.1 | 0 | 0 | 0 | 0 | 114.1 | E590 K596 | E590-S594 PolarHBondContact O-N 3.39Å; S594-K596 PolarHBondContact O-N 3.22Å |
| 595 | S | 43.2 | Very low | 45.3 | Very low | 107 Ų | 107 | 127.3 Ų | 127.3 | 75% | 0.748 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.7 | 11.5 | -175.9 | -173.6 | 0 | 0 | 0 | 0 | 115.5 | ||
| 596 | K | 43.3 | Very low | 43.9 | Very low | 182 Ų | 182 | 129.8 Ų | 129.8 | 79% | 0.791 | 77% | 0.772 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.4 | 4.9 | -175.4 | -92.9 | -173.5 | -178.5 | 174.3 | 0 | 117.8 | S594 | S594-K596 PolarHBondContact O-N 3.22Š|
| 597 | Y | 45.5 | Very low | 43.2 | Very low | 238 Ų | 238 | 130.2 Ų | 130.2 | 93% | 0.933 | 78% | 0.781 | S | S | * | * | S | Bend | trans | -137.6 | 106 | 170.3 | -88.3 | -86.2 | 0 | 0 | 0 | 112.1 | ||
| 598 | G | 39.8 | Very low | 42.6 | Very low | 65 Ų | 65 | 133.8 Ų | 133.8 | 67% | 0.67 | 80% | 0.8 | S | S | * | * | trans | 149.5 | 80.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 599 | N | 36.1 | Very low | 42 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 88% | 0.877 | 81% | 0.813 | S | S | * | * | 164 | 105.7 | 121.1 | -85.4 | -22.8 | 0 | 0 | 0 | 110.9 | |||||
| 600 | I | 41.2 | Very low | 41.5 | Very low | 163 Ų | 163 | 138.4 Ų | 138.4 | 84% | 0.836 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -83.9 | 119.3 | 158.2 | -62.8 | 170.5 | 0 | 0 | 0 | 106.2 | ||
| 601 | P | 41.3 | Very low | 40.9 | Very low | 117 Ų | 117 | 138.2 Ų | 138.2 | 76% | 0.76 | 84% | 0.838 | S | S | * | * | P | Polyproline II helix | trans | -86.6 | 122.9 | 170.6 | 29 | -22.7 | 0 | 0 | 0 | 110.2 | G603 | P601-G603 PolarHBondContact O-N 2.82Š|
| 602 | N | 37.6 | Very low | 40.4 | Very low | 164 Ų | 164 | 139.5 Ų | 139.5 | 88% | 0.877 | 85% | 0.852 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 121.5 | 163.4 | -91.1 | -23.1 | 0 | 0 | 0 | 109.7 | ||
| 603 | G | 31.4 | Very low | 39.9 | Very low | 76 Ų | 76 | 137.6 Ų | 137.6 | 78% | 0.784 | 86% | 0.857 | S | S | * | * | trans | -106 | 126.1 | 164.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | P601 | P601-G603 PolarHBondContact O-N 2.82Š| ||
| 604 | H | 38.9 | Very low | 39.5 | Very low | 182 Ų | 182 | 143.3 Ų | 143.3 | 84% | 0.843 | 87% | 0.873 | S | S | * | * | trans | -95.8 | 141.8 | 170.2 | -113.4 | 42.5 | 0 | 0 | 0 | 110.2 | ||||
| 605 | T | 37.3 | Very low | 39.1 | Very low | 148 Ų | 148 | 147 Ų | 147 | 91% | 0.908 | 89% | 0.888 | S | S | * | * | trans | 132.7 | 122.9 | 144.9 | 53.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 606 | G | 33.5 | Very low | 38.7 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 100% | 1.629 | 90% | 0.901 | S | S | * | * | trans | 130.4 | 0 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.8 |
Retrieved 606 of 606 residues in 240.8 ms
(Link to these results)