| 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 | 49.1 | Very low | 55.7 | Low | 238 Ų | 238 | 138 Ų | 138 | 100% | 1.172 | 70% | 0.702 | S | S | * | * | 0 | 50.4 | 0 | -71 | -78.3 | -129.4 | 0 | 0 | 112.8 | |||||
| 2 | K | 52.6 | Low | 55.6 | Low | 193 Ų | 193 | 135.1 Ų | 135.1 | 84% | 0.839 | 69% | 0.689 | S | S | * | * | trans | -147.8 | -10.5 | 170.5 | -71.6 | -165.6 | 178.9 | 174.8 | 0 | 115.5 | ||||
| 3 | F | 53.4 | Low | 55.3 | Low | 177 Ų | 177 | 134.2 Ų | 134.2 | 78% | 0.776 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -91.8 | -28.5 | -177.5 | -107.4 | -92.2 | 0 | 0 | 0 | 114.8 | ||
| 4 | I | 57.7 | Low | 55 | Low | 141 Ų | 141 | 130.2 Ų | 130.2 | 72% | 0.723 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -75.7 | -28.7 | -176.7 | -63.5 | 166.6 | 0 | 0 | 0 | 111.6 | I7 C8 | I4-I7 PolarHBondContact O-N 3.12Å; I4-C8 PolarHBondContact O-N 3.42Å |
| 5 | Q | 55.4 | Low | 54.5 | Low | 150 Ų | 150 | 125.7 Ų | 125.7 | 70% | 0.701 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -74.2 | -26.8 | 179.1 | -165.3 | 163.3 | 1.7 | 0 | 0 | 113.2 | L9 | Q5-L9 PolarHBondContact O-N 3.49Å |
| 6 | A | 57.9 | Low | 54.3 | Low | 54 Ų | 54 | 125.9 Ų | 125.9 | 45% | 0.446 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -74.6 | -31.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L9 L10 | A6-L9 PolarHBondContact O-N 3.34Å; A6-L10 PolarHBondContact O-N 3.4Å; A6-L10 VanDerWaalsContact O-N 3.12Å |
| 7 | I | 60 | Low | 54.1 | Low | 103 Ų | 103 | 123.9 Ų | 123.9 | 53% | 0.528 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -73.3 | -36.7 | 178.4 | -63.5 | 169.8 | 0 | 0 | 0 | 110.9 | I4 L9 L10 L11 | I4-I7 PolarHBondContact O-N 3.12Å; I7-L9 VanDerWaalsContact C-N 3.31Å; I7-L9 PolarHBondContact O-N 3.47Å; I7-L10 PolarHBondContact O-N 3.44Å; I7-L11 HydrophobicContact CG2-CD1 4.27Å; I7-L11 PolarHBondContact O-N 2.72Å |
| 8 | C | 57 | Low | 53.9 | Low | 80 Ų | 80 | 124.2 Ų | 124.2 | 54% | 0.541 | 66% | 0.658 | S | S | . | * | H | α-helix | trans | -65.5 | -33 | 173.4 | -66.6 | 0 | 0 | 0 | 0 | 112.8 | I4 | I4-C8 PolarHBondContact O-N 3.42Å |
| 9 | L | 58.8 | Low | 53.5 | Low | 112 Ų | 112 | 123.9 Ų | 123.9 | 59% | 0.586 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -74.7 | -32.3 | 175.6 | -80.2 | 162.6 | 0 | 0 | 0 | 112.7 | Q5 A6 I7 L12 L13 | Q5-L9 PolarHBondContact O-N 3.49Å; A6-L9 PolarHBondContact O-N 3.34Å; I7-L9 VanDerWaalsContact C-N 3.31Å; I7-L9 PolarHBondContact O-N 3.47Å; L9-L12 PolarHBondContact O-N 3.26Å; L9-L13 WeakPolarHBondContact O-CD1 3.4Å |
| 10 | L | 56.4 | Low | 53.2 | Low | 137 Ų | 137 | 121.3 Ų | 121.3 | 72% | 0.717 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -72.1 | -29.6 | 178.4 | -125.9 | 83.4 | 0 | 0 | 0 | 113.2 | A6 I7 L12 | A6-L10 PolarHBondContact O-N 3.4Å; A6-L10 VanDerWaalsContact O-N 3.12Å; I7-L10 PolarHBondContact O-N 3.44Å; L10-L12 VanDerWaalsContact C-N 3.32Å |
| 11 | L | 54.2 | Low | 53 | Low | 133 Ų | 133 | 125.2 Ų | 125.2 | 70% | 0.696 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | -7.7 | 177.3 | -83.7 | 159.2 | 0 | 0 | 0 | 114.2 | I7 | I7-L11 HydrophobicContact CG2-CD1 4.27Å; I7-L11 PolarHBondContact O-N 2.72Å |
| 12 | L | 55 | Low | 53.2 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 54% | 0.539 | 63% | 0.634 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.6 | -10.9 | 177.4 | -102.3 | 142.5 | 0 | 0 | 0 | 113.8 | L9 L10 | L9-L12 PolarHBondContact O-N 3.26Å; L10-L12 VanDerWaalsContact C-N 3.32Å |
| 13 | L | 50.9 | Low | 53.4 | Low | 123 Ų | 123 | 116.2 Ų | 116.2 | 64% | 0.644 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75 | -25.6 | 179.7 | -98.6 | 71.6 | 0 | 0 | 0 | 115.8 | L9 A15 | L9-L13 WeakPolarHBondContact O-CD1 3.4Å; L13-A15 VanDerWaalsContact C-N 3.35Å |
| 14 | P | 51.8 | Low | 53.6 | Low | 79 Ų | 79 | 116.1 Ų | 116.1 | 51% | 0.513 | 62% | 0.618 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.5 | -15.3 | 173.7 | -16.2 | 31.2 | 0 | 0 | 0 | 114.4 | T17 | P14-T17 PolarHBondContact O-OG1 3.44Š|
| 15 | A | 47.4 | Very low | 54.1 | Low | 62 Ų | 62 | 114 Ų | 114 | 51% | 0.512 | 61% | 0.609 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -86.4 | -19.7 | -175.3 | 0 | 0 | 0 | 0 | 0 | 114 | L13 | L13-A15 VanDerWaalsContact C-N 3.35Š|
| 16 | L | 51.7 | Low | 55 | Low | 129 Ų | 129 | 108.5 Ų | 108.5 | 68% | 0.675 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -92.9 | -15.2 | -178.5 | -84.7 | 149.7 | 0 | 0 | 0 | 113.9 | ||
| 17 | T | 50.7 | Low | 56 | Low | 93 Ų | 93 | 111.1 Ų | 111.1 | 57% | 0.571 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -89.2 | -12.7 | -178 | 52.2 | 0 | 0 | 0 | 0 | 114 | P14 S20 | P14-T17 PolarHBondContact O-OG1 3.44Å; T17-S20 PolarHBondContact O-OG 3.46Å |
| 18 | L | 49.8 | Very low | 56.8 | Low | 128 Ų | 128 | 110.3 Ų | 110.3 | 67% | 0.67 | 59% | 0.592 | S | S | * | * | S | Bend | trans | -89.1 | -22.9 | 175.7 | -75.4 | 161 | 0 | 0 | 0 | 113.4 | ||
| 19 | N | 46.6 | Very low | 58 | Low | 119 Ų | 119 | 113.7 Ų | 113.7 | 64% | 0.636 | 60% | 0.598 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | -12.6 | 178.3 | -83.3 | -33.3 | 0 | 0 | 0 | 114.5 | ||
| 20 | S | 47.7 | Very low | 59.1 | Low | 71 Ų | 71 | 115.1 Ų | 115.1 | 50% | 0.497 | 60% | 0.599 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -89.5 | -21.1 | 179.2 | 61.3 | 0 | 0 | 0 | 0 | 113.9 | T17 S23 Y24 | T17-S20 PolarHBondContact O-OG 3.46Å; S20-S23 PolarHBondContact O-N 3.39Å; S20-Y24 PolarHBondContact O-N 3.47Å |
| 21 | R | 49.9 | Very low | 60.5 | Low | 204 Ų | 204 | 113.3 Ų | 113.3 | 77% | 0.77 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -70.9 | -33.8 | 177.7 | -118.4 | 179.4 | 178.1 | 178.8 | -0.9 | 112.7 | ||
| 22 | Q | 52.4 | Low | 62 | Low | 156 Ų | 156 | 113.2 Ų | 113.2 | 73% | 0.729 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -73.5 | -27 | 175.6 | -104.3 | 171.9 | -13.4 | 0 | 0 | 113.7 | G26 | Q22-G26 PolarHBondContact O-N 3.41Å |
| 23 | S | 56.4 | Low | 63.5 | Low | 86 Ų | 86 | 113.6 Ų | 113.6 | 60% | 0.601 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -76.7 | -36.7 | 179.3 | -173.7 | 0 | 0 | 0 | 0 | 112.5 | S20 G26 L27 | S20-S23 PolarHBondContact O-N 3.39Å; S23-G26 PolarHBondContact O-N 3.39Å; S23-L27 PolarHBondContact O-N 3.31Å |
| 24 | Y | 58.2 | Low | 65.3 | Low | 175 Ų | 175 | 111.6 Ų | 111.6 | 69% | 0.686 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -70.2 | -39.7 | 178.5 | -130.9 | -92.9 | 0 | 0 | 0 | 112.6 | S20 G26 L27 E28 | S20-Y24 PolarHBondContact O-N 3.47Å; Y24-G26 VanDerWaalsContact C-N 3.3Å; Y24-G26 PolarHBondContact O-N 2.87Å; Y24-L27 PolarHBondContact O-N 2.92Å; Y24-E28 WeakPolarHBondContact O-CB 3.41Å; Y24-E28 PolarHBondContact O-N 3.05Å |
| 25 | D | 68.4 | Low | 67 | Low | 97 Ų | 97 | 113.5 Ų | 113.5 | 52% | 0.519 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -62 | -37.8 | 172.8 | -100.9 | -21.6 | 0 | 0 | 0 | 112.1 | K29 | D25-K29 WeakPolarHBondContact O-CB 3.37Å; D25-K29 VanDerWaalsContact O-CG 3.28Å; D25-K29 WeakPolarHBondContact O-CG 3.33Å; D25-K29 PolarHBondContact O-N 2.99Å |
| 26 | G | 74.6 | Confident | 68.8 | Low | 35 Ų | 35 | 113.9 Ų | 113.9 | 36% | 0.361 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -67.1 | -38.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q22 S23 Y24 K30 | Q22-G26 PolarHBondContact O-N 3.41Å; S23-G26 PolarHBondContact O-N 3.39Å; Y24-G26 VanDerWaalsContact C-N 3.3Å; Y24-G26 PolarHBondContact O-N 2.87Å; G26-K30 WeakPolarHBondContact O-CG 3.41Å; G26-K30 PolarHBondContact O-N 2.83Å |
| 27 | L | 77.3 | Confident | 70.7 | Confident | 108 Ų | 108 | 112.7 Ų | 112.7 | 57% | 0.565 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -71.4 | -40.4 | 176.7 | -170.5 | 66.4 | 0 | 0 | 0 | 112.1 | S23 Y24 K30 L31 | S23-L27 PolarHBondContact O-N 3.31Å; Y24-L27 PolarHBondContact O-N 2.92Å; L27-K30 PolarHBondContact O-N 3.22Å; L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 PolarHBondContact O-N 3.37Å |
| 28 | E | 77.9 | Confident | 72.6 | Confident | 87 Ų | 87 | 115.6 Ų | 115.6 | 41% | 0.407 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -66.7 | -39.9 | 176.3 | -166.6 | -172 | 147.2 | 0 | 0 | 111.6 | Y24 L31 K32 | Y24-E28 WeakPolarHBondContact O-CB 3.41Å; Y24-E28 PolarHBondContact O-N 3.05Å; E28-L31 PolarHBondContact O-N 3.38Å; E28-K32 PolarHBondContact O-N 3.37Å; E28-K32 IonicContact OE1-NZ 3.63Å; E28-K32 PolarHBondContact OE1-NZ 2.88Å |
| 29 | K | 81.9 | Confident | 74.4 | Confident | 151 Ų | 151 | 113.1 Ų | 113.1 | 66% | 0.657 | 56% | 0.56 | S | S | * | * | H | α-helix | trans | -60.6 | -48.1 | 171.4 | -79.9 | 178.8 | -179.3 | 179.8 | 0 | 111.8 | D25 L31 K32 E33 | D25-K29 WeakPolarHBondContact O-CB 3.37Å; D25-K29 VanDerWaalsContact O-CG 3.28Å; D25-K29 WeakPolarHBondContact O-CG 3.33Å; D25-K29 PolarHBondContact O-N 2.99Å; K29-L31 VanDerWaalsContact C-N 3.29Å; K29-L31 PolarHBondContact O-N 3.29Å; K29-K32 PolarHBondContact O-N 3.41Å; K29-E33 WeakPolarHBondContact O-CB 3.28Å; K29-E33 PolarHBondContact O-N 2.86Å |
| 30 | K | 83 | Confident | 76.5 | Confident | 141 Ų | 141 | 110.9 Ų | 110.9 | 61% | 0.613 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.6 | -38.7 | 174.6 | -79.8 | -175 | 176.1 | -172.8 | 0 | 112.3 | G26 L27 E33 V34 | G26-K30 WeakPolarHBondContact O-CG 3.41Å; G26-K30 PolarHBondContact O-N 2.83Å; L27-K30 PolarHBondContact O-N 3.22Å; K30-E33 PolarHBondContact O-N 2.89Å; K30-V34 WeakPolarHBondContact O-CB 3.38Å; K30-V34 WeakPolarHBondContact O-CG2 3.34Å; K30-V34 PolarHBondContact O-N 3.35Å |
| 31 | L | 83.9 | Confident | 78.6 | Confident | 99 Ų | 99 | 112.2 Ų | 112.2 | 52% | 0.518 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -67.5 | -44.7 | 178.6 | -170.9 | 65.8 | 0 | 0 | 0 | 111.5 | L27 E28 K29 E33 V34 F35 | L27-L31 WeakPolarHBondContact O-CB 3.43Å; L27-L31 PolarHBondContact O-N 3.37Å; E28-L31 PolarHBondContact O-N 3.38Å; K29-L31 VanDerWaalsContact C-N 3.29Å; K29-L31 PolarHBondContact O-N 3.29Å; L31-E33 VanDerWaalsContact C-N 3.33Å; L31-E33 PolarHBondContact O-N 3.01Å; L31-V34 PolarHBondContact O-N 3.44Å; L31-F35 HydrophobicContact CD1-CD2 4.11Å; L31-F35 HydrophobicContact CD1-CE2 3.8Å; L31-F35 HydrophobicContact CD2-CE2 4.35Å; L31-F35 HydrophobicContact CG-CD2 3.91Å; L31-F35 HydrophobicContact CG-CE2 3.84Å; L31-F35 VanDerWaalsContact O-CD2 3.24Å; L31-F35 WeakPolarHBondContact O-CD2 3.31Å; L31-F35 PolarHBondContact O-N 2.87Å |
| 32 | K | 85.6 | Confident | 80.5 | Confident | 132 Ų | 132 | 107 Ų | 107 | 57% | 0.574 | 54% | 0.541 | S | S | * | . | H | α-helix | trans | -61.5 | -41.2 | 174.2 | -83 | 170.5 | 171.9 | 156.7 | 0 | 112 | E28 K29 F35 S36 | E28-K32 PolarHBondContact O-N 3.37Å; E28-K32 IonicContact OE1-NZ 3.63Å; E28-K32 PolarHBondContact OE1-NZ 2.88Å; K29-K32 PolarHBondContact O-N 3.41Å; K32-F35 PolarHBondContact O-N 3.32Å; K32-S36 WeakPolarHBondContact O-CB 3.29Å; K32-S36 PolarHBondContact O-N 3.33Å; K32-S36 PolarHBondContact O-OG 2.86Å |
| 33 | E | 87.7 | Confident | 82.3 | Confident | 110 Ų | 110 | 106.1 Ų | 106.1 | 51% | 0.514 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -60.9 | -51.2 | 174.4 | -172.2 | 170.6 | -158.8 | 0 | 0 | 110.6 | K29 K30 L31 F35 S36 E37 | K29-E33 WeakPolarHBondContact O-CB 3.28Å; K29-E33 PolarHBondContact O-N 2.86Å; K30-E33 PolarHBondContact O-N 2.89Å; L31-E33 VanDerWaalsContact C-N 3.33Å; L31-E33 PolarHBondContact O-N 3.01Å; E33-F35 VanDerWaalsContact C-N 3.33Å; E33-F35 PolarHBondContact O-N 3.38Å; E33-S36 WeakPolarHBondContact CA-OG 3.48Å; E33-S36 CarbonylContact O-C 3.58Å; E33-S36 PolarHBondContact O-N 2.85Å; E33-S36 PolarHBondContact O-OG 3.35Å; E33-E37 WeakPolarHBondContact O-CB 3.24Å; E33-E37 WeakPolarHBondContact O-CG 3.14Å; E33-E37 PolarHBondContact O-N 3.5Å |
| 34 | V | 88 | Confident | 84.1 | Confident | 82 Ų | 82 | 108.3 Ų | 108.3 | 50% | 0.497 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -58.9 | -39.8 | 175.7 | 169.1 | 0 | 0 | 0 | 0 | 112.3 | K30 L31 R38 | K30-V34 WeakPolarHBondContact O-CB 3.38Å; K30-V34 WeakPolarHBondContact O-CG2 3.34Å; K30-V34 PolarHBondContact O-N 3.35Å; L31-V34 PolarHBondContact O-N 3.44Å; V34-R38 WeakPolarHBondContact O-CB 3.48Å; V34-R38 PolarHBondContact O-N 3.36Å |
| 35 | F | 87 | Confident | 85.6 | Confident | 118 Ų | 118 | 104.9 Ų | 104.9 | 52% | 0.518 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 174.8 | -89.5 | -72.5 | 0 | 0 | 0 | 112.4 | L31 K32 E33 S39 | L31-F35 HydrophobicContact CD1-CD2 4.11Å; L31-F35 HydrophobicContact CD1-CE2 3.8Å; L31-F35 HydrophobicContact CD2-CE2 4.35Å; L31-F35 HydrophobicContact CG-CD2 3.91Å; L31-F35 HydrophobicContact CG-CE2 3.84Å; L31-F35 VanDerWaalsContact O-CD2 3.24Å; L31-F35 WeakPolarHBondContact O-CD2 3.31Å; L31-F35 PolarHBondContact O-N 2.87Å; K32-F35 PolarHBondContact O-N 3.32Å; E33-F35 VanDerWaalsContact C-N 3.33Å; E33-F35 PolarHBondContact O-N 3.38Å; F35-S39 VanDerWaalsContact O-CB 3.29Å; F35-S39 WeakPolarHBondContact O-CB 3.39Å; F35-S39 PolarHBondContact O-N 3.22Å |
| 36 | S | 86.2 | Confident | 86.6 | Confident | 71 Ų | 71 | 103.1 Ų | 103.1 | 50% | 0.497 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.2 | -40.9 | 177 | 74.4 | 0 | 0 | 0 | 0 | 112.1 | K32 E33 S39 S40 | K32-S36 WeakPolarHBondContact O-CB 3.29Å; K32-S36 PolarHBondContact O-N 3.33Å; K32-S36 PolarHBondContact O-OG 2.86Å; E33-S36 WeakPolarHBondContact CA-OG 3.48Å; E33-S36 CarbonylContact O-C 3.58Å; E33-S36 PolarHBondContact O-N 2.85Å; E33-S36 PolarHBondContact O-OG 3.35Å; S36-S39 PolarHBondContact O-N 2.85Å; S36-S40 VanDerWaalsContact O-CB 3.31Å; S36-S40 WeakPolarHBondContact O-CB 3.44Å; S36-S40 PolarHBondContact O-N 2.88Å |
| 37 | E | 91.3 | Very high | 87.5 | Confident | 103 Ų | 103 | 107.4 Ų | 107.4 | 48% | 0.481 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -63.5 | -47.5 | 172.4 | -74.8 | -175.8 | 160.2 | 0 | 0 | 110.4 | E33 S39 S40 I41 | E33-E37 WeakPolarHBondContact O-CB 3.24Å; E33-E37 WeakPolarHBondContact O-CG 3.14Å; E33-E37 PolarHBondContact O-N 3.5Å; E37-S39 VanDerWaalsContact C-N 3.3Å; E37-S39 PolarHBondContact O-N 2.79Å; E37-S40 WeakPolarHBondContact O-CB 3.48Å; E37-S40 PolarHBondContact O-N 3.45Å; E37-I41 WeakPolarHBondContact O-CB 3.19Å; E37-I41 WeakPolarHBondContact O-CD1 3.35Å; E37-I41 WeakPolarHBondContact O-CG1 3.24Å; E37-I41 PolarHBondContact O-N 3.26Å |
| 38 | R | 90.7 | Very high | 88.1 | Confident | 155 Ų | 155 | 105.4 Ų | 105.4 | 59% | 0.585 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -58.5 | -42.3 | 176 | -178.1 | -178.6 | 176.6 | -167.2 | -0.2 | 111.8 | V34 L42 | V34-R38 WeakPolarHBondContact O-CB 3.48Å; V34-R38 PolarHBondContact O-N 3.36Å; R38-L42 HydrophobicContact CG-CD1 4.11Å; R38-L42 WeakPolarHBondContact O-CB 3.49Å; R38-L42 PolarHBondContact O-N 3.45Å |
| 39 | S | 88.7 | Confident | 88.8 | Confident | 76 Ų | 76 | 104.1 Ų | 104.1 | 53% | 0.531 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -68.1 | -41.7 | 178 | -164.1 | 0 | 0 | 0 | 0 | 111.7 | F35 S36 E37 L42 H43 | F35-S39 VanDerWaalsContact O-CB 3.29Å; F35-S39 WeakPolarHBondContact O-CB 3.39Å; F35-S39 PolarHBondContact O-N 3.22Å; S36-S39 PolarHBondContact O-N 2.85Å; E37-S39 VanDerWaalsContact C-N 3.3Å; E37-S39 PolarHBondContact O-N 2.79Å; S39-L42 PolarHBondContact O-N 2.71Å; S39-H43 WeakPolarHBondContact O-CB 3.27Å; S39-H43 PolarHBondContact O-N 3.05Å |
| 40 | S | 89.9 | Confident | 89.3 | Confident | 72 Ų | 72 | 104.1 Ų | 104.1 | 50% | 0.503 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.7 | -45.2 | 173.6 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | S36 E37 H43 Q44 | S36-S40 VanDerWaalsContact O-CB 3.31Å; S36-S40 WeakPolarHBondContact O-CB 3.44Å; S36-S40 PolarHBondContact O-N 2.88Å; E37-S40 WeakPolarHBondContact O-CB 3.48Å; E37-S40 PolarHBondContact O-N 3.45Å; S40-H43 PolarHBondContact O-N 2.86Å; S40-Q44 WeakPolarHBondContact O-CB 3.42Å; S40-Q44 WeakPolarHBondContact O-CG 3.18Å; S40-Q44 PolarHBondContact O-N 3.28Å |
| 41 | I | 92.7 | Very high | 89.8 | Confident | 98 Ų | 98 | 102 Ų | 102 | 50% | 0.503 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63 | -45.9 | 175.2 | -68.1 | 163.6 | 0 | 0 | 0 | 110.5 | E37 H43 Q44 L45 | E37-I41 WeakPolarHBondContact O-CB 3.19Å; E37-I41 WeakPolarHBondContact O-CD1 3.35Å; E37-I41 WeakPolarHBondContact O-CG1 3.24Å; E37-I41 PolarHBondContact O-N 3.26Å; I41-H43 VanDerWaalsContact C-N 3.3Å; I41-H43 PolarHBondContact O-N 3.49Å; I41-Q44 WeakPolarHBondContact O-CB 3.34Å; I41-Q44 PolarHBondContact O-N 2.89Å; I41-L45 HydrophobicContact CG2-CD1 3.77Å; I41-L45 HydrophobicContact CG2-CG 4.22Å; I41-L45 WeakPolarHBondContact O-CB 3.46Å; I41-L45 VanDerWaalsContact O-CG 3.24Å; I41-L45 WeakPolarHBondContact O-CG 3.35Å; I41-L45 PolarHBondContact O-N 3.15Å |
| 42 | L | 89.3 | Confident | 90.2 | Very high | 96 Ų | 96 | 103 Ų | 103 | 50% | 0.503 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -60.1 | -40.5 | 175.5 | -92.3 | 158.2 | 0 | 0 | 0 | 112 | R38 S39 L45 S46 | R38-L42 HydrophobicContact CG-CD1 4.11Å; R38-L42 WeakPolarHBondContact O-CB 3.49Å; R38-L42 PolarHBondContact O-N 3.45Å; S39-L42 PolarHBondContact O-N 2.71Å; L42-L45 PolarHBondContact O-N 3.34Å; L42-S46 WeakPolarHBondContact O-CB 3.46Å; L42-S46 PolarHBondContact O-N 3.45Å |
| 43 | H | 90.1 | Very high | 90.5 | Very high | 136 Ų | 136 | 101.1 Ų | 101.1 | 63% | 0.63 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -67.3 | -42.5 | 177 | -167.2 | -9.3 | 0 | 0 | 0 | 111.5 | S39 S40 I41 S46 K47 | S39-H43 WeakPolarHBondContact O-CB 3.27Å; S39-H43 PolarHBondContact O-N 3.05Å; S40-H43 PolarHBondContact O-N 2.86Å; I41-H43 VanDerWaalsContact C-N 3.3Å; I41-H43 PolarHBondContact O-N 3.49Å; H43-S46 PolarHBondContact O-N 2.86Å; H43-K47 WeakPolarHBondContact O-CB 3.37Å; H43-K47 PolarHBondContact O-N 2.8Å |
| 44 | Q | 93.1 | Very high | 90.8 | Very high | 132 Ų | 132 | 99.2 Ų | 99.2 | 62% | 0.617 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -60.5 | -45.3 | 173 | -79.6 | -108.9 | -20.3 | 0 | 0 | 111.9 | S40 I41 S46 K47 T48 | S40-Q44 WeakPolarHBondContact O-CB 3.42Å; S40-Q44 WeakPolarHBondContact O-CG 3.18Å; S40-Q44 PolarHBondContact O-N 3.28Å; I41-Q44 WeakPolarHBondContact O-CB 3.34Å; I41-Q44 PolarHBondContact O-N 2.89Å; Q44-S46 VanDerWaalsContact C-N 3.34Å; Q44-S46 PolarHBondContact O-N 2.79Å; Q44-K47 PolarHBondContact O-N 3Å; Q44-T48 WeakPolarHBondContact O-CB 3.42Å; Q44-T48 PolarHBondContact O-N 3.29Å; Q44-T48 PolarHBondContact O-OG1 3.04Å |
| 45 | L | 90.4 | Very high | 91.1 | Very high | 104 Ų | 104 | 100.2 Ų | 100.2 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.2 | -39.1 | 176 | -73.5 | 172.2 | 0 | 0 | 0 | 111.7 | I41 L42 T48 S49 | I41-L45 HydrophobicContact CG2-CD1 3.77Å; I41-L45 HydrophobicContact CG2-CG 4.22Å; I41-L45 WeakPolarHBondContact O-CB 3.46Å; I41-L45 VanDerWaalsContact O-CG 3.24Å; I41-L45 WeakPolarHBondContact O-CG 3.35Å; I41-L45 PolarHBondContact O-N 3.15Å; L42-L45 PolarHBondContact O-N 3.34Å; L45-T48 WeakPolarHBondContact CA-OG1 3.38Å; L45-T48 PolarHBondContact O-OG1 3.41Å; L45-T48 VanDerWaalsContact O-OG1 3.09Å; L45-S49 VanDerWaalsContact O-CB 3.27Å; L45-S49 WeakPolarHBondContact O-CB 3.37Å; L45-S49 PolarHBondContact O-N 3.43Å |
| 46 | S | 89.9 | Confident | 91.4 | Very high | 59 Ų | 59 | 101.8 Ų | 101.8 | 41% | 0.413 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -67 | -40.7 | 174.6 | -176.2 | 0 | 0 | 0 | 0 | 112.1 | L42 H43 Q44 S49 K50 | L42-S46 WeakPolarHBondContact O-CB 3.46Å; L42-S46 PolarHBondContact O-N 3.45Å; H43-S46 PolarHBondContact O-N 2.86Å; Q44-S46 VanDerWaalsContact C-N 3.34Å; Q44-S46 PolarHBondContact O-N 2.79Å; S46-S49 PolarHBondContact O-N 3.27Å; S46-K50 PolarHBondContact O-N 2.87Å; S46-K50 VanDerWaalsContact O-N 3.15Å |
| 47 | K | 92.6 | Very high | 91.8 | Very high | 126 Ų | 126 | 100.4 Ų | 100.4 | 55% | 0.548 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.9 | -48.5 | 176 | -174.8 | 179.8 | 177 | -174.8 | 0 | 111.3 | H43 Q44 S49 K50 E51 | H43-K47 WeakPolarHBondContact O-CB 3.37Å; H43-K47 PolarHBondContact O-N 2.8Å; Q44-K47 PolarHBondContact O-N 3Å; K47-S49 VanDerWaalsContact C-N 3.31Å; K47-S49 PolarHBondContact O-N 3.19Å; K47-K50 PolarHBondContact O-N 3.43Å; K47-E51 VanDerWaalsContact CE-OE1 3.27Å; K47-E51 WeakPolarHBondContact CE-OE1 3.47Å; K47-E51 PolarHBondContact O-N 2.86Å |
| 48 | T | 91.1 | Very high | 91.9 | Very high | 66 Ų | 66 | 100.5 Ų | 100.5 | 41% | 0.405 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -63.5 | -34.9 | 176.2 | 40.6 | 0 | 0 | 0 | 0 | 112.2 | Q44 L45 E51 L52 | Q44-T48 WeakPolarHBondContact O-CB 3.42Å; Q44-T48 PolarHBondContact O-N 3.29Å; Q44-T48 PolarHBondContact O-OG1 3.04Å; L45-T48 WeakPolarHBondContact CA-OG1 3.38Å; L45-T48 PolarHBondContact O-OG1 3.41Å; L45-T48 VanDerWaalsContact O-OG1 3.09Å; T48-E51 PolarHBondContact O-N 3.09Å; T48-L52 WeakPolarHBondContact O-CB 3.27Å; T48-L52 PolarHBondContact O-N 3.37Å |
| 49 | S | 91.6 | Very high | 92 | Very high | 60 Ų | 60 | 98.8 Ų | 98.8 | 42% | 0.42 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -60.5 | -44.5 | 172.2 | -175.8 | 0 | 0 | 0 | 0 | 112.3 | L45 S46 K47 L52 D53 | L45-S49 VanDerWaalsContact O-CB 3.27Å; L45-S49 WeakPolarHBondContact O-CB 3.37Å; L45-S49 PolarHBondContact O-N 3.43Å; S46-S49 PolarHBondContact O-N 3.27Å; K47-S49 VanDerWaalsContact C-N 3.31Å; K47-S49 PolarHBondContact O-N 3.19Å; S49-L52 WeakPolarHBondContact O-CB 3.21Å; S49-L52 PolarHBondContact O-N 2.96Å; S49-D53 PolarHBondContact O-N 3.26Å |
| 50 | K | 92.4 | Very high | 92.2 | Very high | 150 Ų | 150 | 100.1 Ų | 100.1 | 65% | 0.652 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -66.7 | -38.3 | 177.7 | -70.5 | 178.4 | -178.1 | 180 | 0 | 112.3 | S46 K47 L52 D53 S54 | S46-K50 PolarHBondContact O-N 2.87Å; S46-K50 VanDerWaalsContact O-N 3.15Å; K47-K50 PolarHBondContact O-N 3.43Å; K50-L52 VanDerWaalsContact C-N 3.33Å; K50-D53 PolarHBondContact O-N 2.86Å; K50-S54 PolarHBondContact O-N 2.71Å |
| 51 | E | 94.2 | Very high | 92.4 | Very high | 97 Ų | 97 | 99.5 Ų | 99.5 | 45% | 0.453 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 173 | -71.8 | 172.2 | -169.4 | 0 | 0 | 111 | K47 T48 S54 I55 | K47-E51 VanDerWaalsContact CE-OE1 3.27Å; K47-E51 WeakPolarHBondContact CE-OE1 3.47Å; K47-E51 PolarHBondContact O-N 2.86Å; T48-E51 PolarHBondContact O-N 3.09Å; E51-S54 WeakPolarHBondContact O-CB 3.46Å; E51-S54 PolarHBondContact O-N 2.93Å; E51-I55 WeakPolarHBondContact O-CB 3.48Å; E51-I55 WeakPolarHBondContact O-CD1 3.37Å; E51-I55 WeakPolarHBondContact O-CG1 3.5Å; E51-I55 PolarHBondContact O-N 3.47Å |
| 52 | L | 92.7 | Very high | 92.4 | Very high | 120 Ų | 120 | 100.5 Ų | 100.5 | 63% | 0.628 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -63.1 | -42.1 | 175.4 | -158.6 | 98.6 | 0 | 0 | 0 | 112 | T48 S49 K50 I55 K56 | T48-L52 WeakPolarHBondContact O-CB 3.27Å; T48-L52 PolarHBondContact O-N 3.37Å; S49-L52 WeakPolarHBondContact O-CB 3.21Å; S49-L52 PolarHBondContact O-N 2.96Å; K50-L52 VanDerWaalsContact C-N 3.33Å; L52-I55 PolarHBondContact O-N 3.27Å; L52-K56 WeakPolarHBondContact O-CB 3.48Å; L52-K56 PolarHBondContact O-N 3.49Å |
| 53 | D | 91.6 | Very high | 92.6 | Very high | 93 Ų | 93 | 102.4 Ų | 102.4 | 50% | 0.497 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.4 | -39 | 175.5 | -74.6 | -36.1 | 0 | 0 | 0 | 112 | S49 K50 K56 G57 | S49-D53 PolarHBondContact O-N 3.26Å; K50-D53 PolarHBondContact O-N 2.86Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 2.85Å; D53-G57 PolarHBondContact O-N 2.82Å |
| 54 | S | 93.6 | Very high | 92.8 | Very high | 69 Ų | 69 | 100 Ų | 100 | 48% | 0.483 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.1 | -45.8 | 172.7 | -177.5 | 0 | 0 | 0 | 0 | 111.8 | K50 E51 K56 G57 N58 | K50-S54 PolarHBondContact O-N 2.71Å; E51-S54 WeakPolarHBondContact O-CB 3.46Å; E51-S54 PolarHBondContact O-N 2.93Å; S54-K56 VanDerWaalsContact C-N 3.31Å; S54-K56 PolarHBondContact O-N 3.26Å; S54-G57 PolarHBondContact O-N 3.41Å; S54-N58 PolarHBondContact O-N 3.34Å |
| 55 | I | 94.3 | Very high | 92.8 | Very high | 103 Ų | 103 | 98 Ų | 98 | 53% | 0.528 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -60.7 | -41.3 | 175.1 | -69.2 | 163.8 | 0 | 0 | 0 | 110.7 | E51 L52 G57 N58 L59 | E51-I55 WeakPolarHBondContact O-CB 3.48Å; E51-I55 WeakPolarHBondContact O-CD1 3.37Å; E51-I55 WeakPolarHBondContact O-CG1 3.5Å; E51-I55 PolarHBondContact O-N 3.47Å; L52-I55 PolarHBondContact O-N 3.27Å; I55-G57 PolarHBondContact O-N 3.35Å; I55-N58 PolarHBondContact O-N 3.14Å; I55-L59 WeakPolarHBondContact O-CB 3.39Å; I55-L59 PolarHBondContact O-N 2.91Å |
| 56 | K | 93.8 | Very high | 93 | Very high | 152 Ų | 152 | 98 Ų | 98 | 66% | 0.661 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -60.8 | -43.6 | 175.4 | -178.2 | -175.1 | 177.6 | -175.1 | 0 | 111.6 | L52 D53 S54 L59 Q60 | L52-K56 WeakPolarHBondContact O-CB 3.48Å; L52-K56 PolarHBondContact O-N 3.49Å; D53-K56 WeakPolarHBondContact O-CB 3.49Å; D53-K56 PolarHBondContact O-N 2.85Å; S54-K56 VanDerWaalsContact C-N 3.31Å; S54-K56 PolarHBondContact O-N 3.26Å; K56-L59 PolarHBondContact O-N 3.18Å; K56-Q60 PolarHBondContact O-N 2.98Å |
| 57 | G | 93.1 | Very high | 93.1 | Very high | 42 Ų | 42 | 97.7 Ų | 97.7 | 43% | 0.433 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -46.9 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | D53 S54 I55 L59 Q60 S61 | D53-G57 PolarHBondContact O-N 2.82Å; S54-G57 PolarHBondContact O-N 3.41Å; I55-G57 PolarHBondContact O-N 3.35Å; G57-L59 PolarHBondContact O-N 2.84Å; G57-Q60 PolarHBondContact O-N 3.37Å; G57-S61 PolarHBondContact O-N 2.85Å |
| 58 | N | 93.6 | Very high | 93.3 | Very high | 104 Ų | 104 | 95.4 Ų | 95.4 | 56% | 0.556 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -62.5 | -41.2 | 176.6 | -69.3 | -19.4 | 0 | 0 | 0 | 112.3 | S54 I55 Q60 S61 L62 | S54-N58 PolarHBondContact O-N 3.34Å; I55-N58 PolarHBondContact O-N 3.14Å; N58-Q60 VanDerWaalsContact C-N 3.3Å; N58-Q60 PolarHBondContact O-N 3.46Å; N58-S61 WeakPolarHBondContact O-CB 3.21Å; N58-S61 PolarHBondContact O-N 2.82Å; N58-L62 WeakPolarHBondContact O-CB 3.37Å; N58-L62 PolarHBondContact O-N 3.27Å |
| 59 | L | 93.5 | Very high | 93.5 | Very high | 119 Ų | 119 | 94.8 Ų | 94.8 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -63.2 | -39.7 | 177.3 | -157.5 | 93.9 | 0 | 0 | 0 | 111.2 | I55 K56 G57 L62 K63 | I55-L59 WeakPolarHBondContact O-CB 3.39Å; I55-L59 PolarHBondContact O-N 2.91Å; K56-L59 PolarHBondContact O-N 3.18Å; G57-L59 PolarHBondContact O-N 2.84Å; L59-L62 PolarHBondContact O-N 2.96Å; L59-K63 WeakPolarHBondContact O-CB 3.35Å; L59-K63 PolarHBondContact O-N 3.03Å |
| 60 | Q | 92.8 | Very high | 93.6 | Very high | 105 Ų | 105 | 98.1 Ų | 98.1 | 49% | 0.491 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.6 | -39.5 | 176.3 | -170.1 | 63.4 | 35.6 | 0 | 0 | 111.7 | K56 G57 N58 K63 N64 | K56-Q60 PolarHBondContact O-N 2.98Å; G57-Q60 PolarHBondContact O-N 3.37Å; N58-Q60 VanDerWaalsContact C-N 3.3Å; N58-Q60 PolarHBondContact O-N 3.46Å; Q60-K63 PolarHBondContact O-N 3.4Å; Q60-N64 VanDerWaalsContact O-CG 3.3Å; Q60-N64 PolarHBondContact O-N 3.46Å; Q60-N64 VanDerWaalsContact O-N 3.14Å; Q60-N64 PolarHBondContact O-ND2 2.63Å |
| 61 | S | 93 | Very high | 93.8 | Very high | 58 Ų | 58 | 97.8 Ų | 97.8 | 41% | 0.406 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -60.5 | -49.9 | 171.4 | -169.1 | 0 | 0 | 0 | 0 | 110.9 | G57 N58 K63 N64 D65 | G57-S61 PolarHBondContact O-N 2.85Å; N58-S61 WeakPolarHBondContact O-CB 3.21Å; N58-S61 PolarHBondContact O-N 2.82Å; S61-K63 VanDerWaalsContact C-N 3.26Å; S61-K63 PolarHBondContact O-N 3.26Å; S61-N64 CarbonylContact O-C 3.59Å; S61-N64 WeakPolarHBondContact O-CA 3.41Å; S61-N64 WeakPolarHBondContact O-CB 3.43Å; S61-N64 PolarHBondContact O-N 3.45Å; S61-D65 VanDerWaalsContact O-CG 3.32Å; S61-D65 PolarHBondContact O-N 2.84Å |
| 62 | L | 93.7 | Very high | 93.9 | Very high | 119 Ų | 119 | 96.1 Ų | 96.1 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -59.6 | -37.9 | -179.4 | -160 | 78.9 | 0 | 0 | 0 | 111.7 | N58 L59 D65 E66 | N58-L62 WeakPolarHBondContact O-CB 3.37Å; N58-L62 PolarHBondContact O-N 3.27Å; L59-L62 PolarHBondContact O-N 2.96Å; L62-D65 PolarHBondContact O-N 2.95Å; L62-E66 VanDerWaalsContact O-CB 3.32Å; L62-E66 WeakPolarHBondContact O-CB 3.48Å; L62-E66 PolarHBondContact O-N 2.75Å |
| 63 | K | 93.8 | Very high | 94.2 | Very high | 136 Ų | 136 | 94.5 Ų | 94.5 | 59% | 0.591 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -63.5 | -39.7 | 173.6 | -178.3 | 177.1 | 179.7 | 176.9 | 0 | 112.3 | L59 Q60 S61 S67 | L59-K63 WeakPolarHBondContact O-CB 3.35Å; L59-K63 PolarHBondContact O-N 3.03Å; Q60-K63 PolarHBondContact O-N 3.4Å; S61-K63 VanDerWaalsContact C-N 3.26Å; S61-K63 PolarHBondContact O-N 3.26Å; K63-S67 PolarHBondContact O-N 2.84Å; K63-S67 VanDerWaalsContact O-N 3.14Å |
| 64 | N | 93.1 | Very high | 94.4 | Very high | 85 Ų | 85 | 94.9 Ų | 94.9 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.9 | -45.2 | 175.4 | -65.6 | -25.7 | 0 | 0 | 0 | 110.5 | Q60 S61 E66 S67 V68 | Q60-N64 VanDerWaalsContact O-CG 3.3Å; Q60-N64 PolarHBondContact O-N 3.46Å; Q60-N64 VanDerWaalsContact O-N 3.14Å; Q60-N64 PolarHBondContact O-ND2 2.63Å; S61-N64 CarbonylContact O-C 3.59Å; S61-N64 WeakPolarHBondContact O-CA 3.41Å; S61-N64 WeakPolarHBondContact O-CB 3.43Å; S61-N64 PolarHBondContact O-N 3.45Å; N64-E66 VanDerWaalsContact C-N 3.34Å; N64-E66 PolarHBondContact O-N 3.49Å; N64-S67 WeakPolarHBondContact O-CB 3.32Å; N64-S67 PolarHBondContact O-N 2.96Å; N64-S67 VanDerWaalsContact O-N 3.07Å; N64-S67 PolarHBondContact O-OG 3.21Å; N64-V68 WeakPolarHBondContact O-CG2 3.37Å; N64-V68 PolarHBondContact O-N 3.01Å |
| 65 | D | 94.4 | Very high | 94.6 | Very high | 91 Ų | 91 | 98.2 Ų | 98.2 | 49% | 0.487 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -61.8 | -40.7 | 177.7 | -63.4 | -29.1 | 0 | 0 | 0 | 111.5 | S61 L62 S67 V68 A69 | S61-D65 VanDerWaalsContact O-CG 3.32Å; S61-D65 PolarHBondContact O-N 2.84Å; L62-D65 PolarHBondContact O-N 2.95Å; D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.04Å; D65-V68 PolarHBondContact O-N 3.4Å; D65-A69 WeakPolarHBondContact O-CB 3.4Å; D65-A69 PolarHBondContact O-N 2.82Å |
| 66 | E | 93.7 | Very high | 94.7 | Very high | 104 Ų | 104 | 98.2 Ų | 98.2 | 49% | 0.486 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.8 | -39.5 | 173.3 | -170.1 | -169.2 | 162.6 | 0 | 0 | 111.3 | L62 N64 A69 K70 | L62-E66 VanDerWaalsContact O-CB 3.32Å; L62-E66 WeakPolarHBondContact O-CB 3.48Å; L62-E66 PolarHBondContact O-N 2.75Å; N64-E66 VanDerWaalsContact C-N 3.34Å; N64-E66 PolarHBondContact O-N 3.49Å; E66-A69 PolarHBondContact O-N 3.39Å; E66-K70 WeakPolarHBondContact O-CB 3.28Å; E66-K70 WeakPolarHBondContact O-CG 3.49Å; E66-K70 PolarHBondContact O-N 3.27Å; E66-K70 WeakPolarHBondContact OE1-CE 3.3Å; E66-K70 IonicContact OE1-NZ 3.51Å; E66-K70 PolarHBondContact OE1-NZ 3.25Å |
| 67 | S | 93.4 | Very high | 94.9 | Very high | 53 Ų | 53 | 95.8 Ų | 95.8 | 37% | 0.371 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.4 | -36 | 177.3 | 83 | 0 | 0 | 0 | 0 | 112.6 | K63 N64 D65 K71 | K63-S67 PolarHBondContact O-N 2.84Å; K63-S67 VanDerWaalsContact O-N 3.14Å; N64-S67 WeakPolarHBondContact O-CB 3.32Å; N64-S67 PolarHBondContact O-N 2.96Å; N64-S67 VanDerWaalsContact O-N 3.07Å; N64-S67 PolarHBondContact O-OG 3.21Å; D65-S67 VanDerWaalsContact C-N 3.29Å; D65-S67 PolarHBondContact O-N 3.04Å; S67-K71 WeakPolarHBondContact O-CG 3.35Å; S67-K71 PolarHBondContact O-N 3.31Å |
| 68 | V | 95.1 | Very high | 95.1 | Very high | 78 Ų | 78 | 99.2 Ų | 99.2 | 47% | 0.473 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -69 | -49.1 | 175 | 174.5 | 0 | 0 | 0 | 0 | 109.7 | N64 D65 K70 K71 D72 | N64-V68 WeakPolarHBondContact O-CG2 3.37Å; N64-V68 PolarHBondContact O-N 3.01Å; D65-V68 PolarHBondContact O-N 3.4Å; V68-K70 VanDerWaalsContact C-N 3.3Å; V68-K70 PolarHBondContact O-N 3.07Å; V68-K71 WeakPolarHBondContact O-CB 3.18Å; V68-K71 PolarHBondContact O-N 3.14Å; V68-D72 PolarHBondContact O-N 3.44Å |
| 69 | A | 95.2 | Very high | 95.2 | Very high | 53 Ų | 53 | 98.8 Ų | 98.8 | 44% | 0.438 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -57.3 | -41.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D65 E66 K71 D72 V73 | D65-A69 WeakPolarHBondContact O-CB 3.4Å; D65-A69 PolarHBondContact O-N 2.82Å; E66-A69 PolarHBondContact O-N 3.39Å; A69-K71 PolarHBondContact O-N 3.46Å; A69-D72 PolarHBondContact O-N 2.92Å; A69-V73 WeakPolarHBondContact O-CB 3.45Å; A69-V73 VanDerWaalsContact O-CG2 3.3Å; A69-V73 WeakPolarHBondContact O-CG2 3.46Å; A69-V73 PolarHBondContact O-N 2.68Å |
| 70 | K | 95.6 | Very high | 95.3 | Very high | 130 Ų | 130 | 95.3 Ų | 95.3 | 57% | 0.565 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -60.1 | -42.5 | 174.5 | -80.7 | 177.1 | -176.2 | 167.1 | 0 | 112.5 | E66 V68 Q74 | E66-K70 WeakPolarHBondContact O-CB 3.28Å; E66-K70 WeakPolarHBondContact O-CG 3.49Å; E66-K70 PolarHBondContact O-N 3.27Å; E66-K70 WeakPolarHBondContact OE1-CE 3.3Å; E66-K70 IonicContact OE1-NZ 3.51Å; E66-K70 PolarHBondContact OE1-NZ 3.25Å; V68-K70 VanDerWaalsContact C-N 3.3Å; V68-K70 PolarHBondContact O-N 3.07Å; K70-Q74 WeakPolarHBondContact O-CB 3.38Å; K70-Q74 PolarHBondContact O-N 2.94Å |
| 71 | K | 96.3 | Very high | 95.5 | Very high | 143 Ų | 143 | 95 Ų | 95 | 62% | 0.622 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.4 | -40.4 | 177.3 | -73.3 | 177.9 | -179.7 | 177.2 | 0 | 111.9 | S67 V68 A69 Q74 R75 | S67-K71 WeakPolarHBondContact O-CG 3.35Å; S67-K71 PolarHBondContact O-N 3.31Å; V68-K71 WeakPolarHBondContact O-CB 3.18Å; V68-K71 PolarHBondContact O-N 3.14Å; A69-K71 PolarHBondContact O-N 3.46Å; K71-Q74 PolarHBondContact O-N 2.97Å; K71-R75 PolarHBondContact O-N 3.41Å |
| 72 | D | 96.6 | Very high | 95.8 | Very high | 62 Ų | 62 | 98.3 Ų | 98.3 | 33% | 0.332 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -68.7 | -42 | 179.1 | -71.5 | -26.7 | 0 | 0 | 0 | 111.8 | V68 A69 Q74 R75 I76 | V68-D72 PolarHBondContact O-N 3.44Å; A69-D72 PolarHBondContact O-N 2.92Å; D72-Q74 VanDerWaalsContact C-N 3.34Å; D72-Q74 PolarHBondContact O-N 3.31Å; D72-R75 PolarHBondContact O-N 3.45Å; D72-R75 IonicContact OD1-CZ 2.69Å; D72-R75 IonicContact OD1-NH1 2.71Å; D72-R75 PolarHBondContact OD1-NH1 2.92Å; D72-R75 IonicContact OD1-NH2 2.72Å; D72-I76 VanDerWaalsContact O-CG1 3.28Å; D72-I76 WeakPolarHBondContact O-CG1 3.43Å; D72-I76 PolarHBondContact O-N 3.02Å |
| 73 | V | 97.2 | Very high | 96 | Very high | 85 Ų | 85 | 98.7 Ų | 98.7 | 52% | 0.515 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -59.4 | -45.2 | 172.8 | 170.7 | 0 | 0 | 0 | 0 | 111 | A69 R75 I76 L77 | A69-V73 WeakPolarHBondContact O-CB 3.45Å; A69-V73 VanDerWaalsContact O-CG2 3.3Å; A69-V73 WeakPolarHBondContact O-CG2 3.46Å; A69-V73 PolarHBondContact O-N 2.68Å; V73-R75 PolarHBondContact O-N 2.97Å; V73-I76 PolarHBondContact O-N 3.37Å; V73-L77 HydrophobicContact CG1-CD1 4.31Å; V73-L77 WeakPolarHBondContact O-CG 3.37Å; V73-L77 PolarHBondContact O-N 3.44Å |
| 74 | Q | 96.6 | Very high | 96.1 | Very high | 101 Ų | 101 | 99 Ų | 99 | 47% | 0.472 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -58.7 | -45.9 | 176.5 | -179.2 | 62.1 | 24.7 | 0 | 0 | 111.7 | K70 K71 D72 I76 L77 E78 | K70-Q74 WeakPolarHBondContact O-CB 3.38Å; K70-Q74 PolarHBondContact O-N 2.94Å; K71-Q74 PolarHBondContact O-N 2.97Å; D72-Q74 VanDerWaalsContact C-N 3.34Å; D72-Q74 PolarHBondContact O-N 3.31Å; Q74-I76 VanDerWaalsContact C-N 3.35Å; Q74-I76 PolarHBondContact O-N 3.08Å; Q74-L77 PolarHBondContact O-N 2.94Å; Q74-E78 PolarHBondContact NE2-OE1 2.87Å; Q74-E78 PolarHBondContact O-N 3.25Å; Q74-E78 VanDerWaalsContact O-N 3.08Å |
| 75 | R | 97.4 | Very high | 96.3 | Very high | 140 Ų | 140 | 98.9 Ų | 98.9 | 53% | 0.528 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -61.7 | -41.1 | 177.3 | -167.4 | -169.5 | -62 | 125 | 4.5 | 111.9 | K71 D72 V73 L77 E78 L79 | K71-R75 PolarHBondContact O-N 3.41Å; D72-R75 PolarHBondContact O-N 3.45Å; D72-R75 IonicContact OD1-CZ 2.69Å; D72-R75 IonicContact OD1-NH1 2.71Å; D72-R75 PolarHBondContact OD1-NH1 2.92Å; D72-R75 IonicContact OD1-NH2 2.72Å; V73-R75 PolarHBondContact O-N 2.97Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-L77 PolarHBondContact O-N 3.45Å; R75-E78 PolarHBondContact O-N 3.5Å; R75-L79 HydrophobicContact CG-CD1 4.38Å; R75-L79 WeakPolarHBondContact O-CG 3.31Å; R75-L79 PolarHBondContact O-N 3.45Å |
| 76 | I | 97.2 | Very high | 96.4 | Very high | 103 Ų | 103 | 99.1 Ų | 99.1 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -63.1 | -41.1 | 177.7 | -70 | 163.9 | 0 | 0 | 0 | 110.9 | D72 V73 Q74 L79 S80 | D72-I76 VanDerWaalsContact O-CG1 3.28Å; D72-I76 WeakPolarHBondContact O-CG1 3.43Å; D72-I76 PolarHBondContact O-N 3.02Å; V73-I76 PolarHBondContact O-N 3.37Å; Q74-I76 VanDerWaalsContact C-N 3.35Å; Q74-I76 PolarHBondContact O-N 3.08Å; I76-L79 PolarHBondContact O-N 2.75Å; I76-S80 VanDerWaalsContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.36Å; I76-S80 PolarHBondContact O-N 3.02Å; I76-S80 PolarHBondContact O-OG 3.29Å |
| 77 | L | 97.1 | Very high | 96.6 | Very high | 101 Ų | 101 | 100.1 Ų | 100.1 | 53% | 0.529 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.5 | -42.2 | 177.1 | -71.6 | 173.5 | 0 | 0 | 0 | 112.1 | V73 Q74 R75 S80 H81 | V73-L77 HydrophobicContact CG1-CD1 4.31Å; V73-L77 WeakPolarHBondContact O-CG 3.37Å; V73-L77 PolarHBondContact O-N 3.44Å; Q74-L77 PolarHBondContact O-N 2.94Å; R75-L77 VanDerWaalsContact C-N 3.34Å; R75-L77 PolarHBondContact O-N 3.45Å; L77-S80 PolarHBondContact O-N 3.24Å; L77-H81 WeakPolarHBondContact O-CB 3.17Å; L77-H81 PolarHBondContact O-N 3.48Å |
| 78 | E | 96.9 | Very high | 96.9 | Very high | 113 Ų | 113 | 103 Ų | 103 | 53% | 0.528 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.7 | -46.2 | 175.5 | -74.5 | 169.9 | -164.4 | 0 | 0 | 111.8 | Q74 R75 S80 H81 K82 | Q74-E78 PolarHBondContact NE2-OE1 2.87Å; Q74-E78 PolarHBondContact O-N 3.25Å; Q74-E78 VanDerWaalsContact O-N 3.08Å; R75-E78 PolarHBondContact O-N 3.5Å; E78-S80 PolarHBondContact O-N 3.44Å; E78-H81 PolarHBondContact O-N 3.26Å; E78-K82 WeakPolarHBondContact O-CB 3.47Å; E78-K82 PolarHBondContact O-N 3.14Å |
| 79 | L | 97.3 | Very high | 97 | Very high | 96 Ų | 96 | 103.2 Ų | 103.2 | 50% | 0.503 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.2 | -43.1 | 175 | -72.1 | 172.8 | 0 | 0 | 0 | 111.8 | R75 I76 H81 K82 Q83 | R75-L79 HydrophobicContact CG-CD1 4.38Å; R75-L79 WeakPolarHBondContact O-CG 3.31Å; R75-L79 PolarHBondContact O-N 3.45Å; I76-L79 PolarHBondContact O-N 2.75Å; L79-H81 VanDerWaalsContact C-N 3.33Å; L79-H81 PolarHBondContact O-N 2.87Å; L79-K82 PolarHBondContact O-N 3.24Å; L79-Q83 WeakPolarHBondContact O-CB 3.49Å; L79-Q83 WeakPolarHBondContact O-CG 3.38Å; L79-Q83 PolarHBondContact O-N 3.37Å |
| 80 | S | 95.9 | Very high | 97.2 | Very high | 45 Ų | 45 | 106.1 Ų | 106.1 | 32% | 0.315 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -35.8 | 178.3 | -59.2 | 0 | 0 | 0 | 0 | 112.2 | I76 L77 E78 R84 | I76-S80 VanDerWaalsContact O-CB 3.31Å; I76-S80 WeakPolarHBondContact O-CB 3.36Å; I76-S80 PolarHBondContact O-N 3.02Å; I76-S80 PolarHBondContact O-OG 3.29Å; L77-S80 PolarHBondContact O-N 3.24Å; E78-S80 PolarHBondContact O-N 3.44Å; S80-R84 WeakPolarHBondContact O-CG 3.45Å; S80-R84 PolarHBondContact O-N 3.1Å; S80-R84 PolarHBondContact O-NE 2.91Å |
| 81 | H | 97 | Very high | 97.3 | Very high | 100 Ų | 100 | 106.2 Ų | 106.2 | 46% | 0.463 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -66.8 | -47 | 172.3 | -173.4 | -75 | 0 | 0 | 0 | 110.9 | L77 E78 L79 Q83 R84 E85 | L77-H81 WeakPolarHBondContact O-CB 3.17Å; L77-H81 PolarHBondContact O-N 3.48Å; E78-H81 PolarHBondContact O-N 3.26Å; L79-H81 VanDerWaalsContact C-N 3.33Å; L79-H81 PolarHBondContact O-N 2.87Å; H81-Q83 VanDerWaalsContact C-N 3.34Å; H81-Q83 PolarHBondContact O-N 3.2Å; H81-R84 WeakPolarHBondContact O-CB 3.44Å; H81-R84 PolarHBondContact O-N 2.9Å; H81-R84 VanDerWaalsContact O-N 3.14Å; H81-E85 PolarHBondContact O-N 3.38Å; H81-E85 VanDerWaalsContact O-N 3.1Å |
| 82 | K | 97.5 | Very high | 97.4 | Very high | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.548 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -58.5 | -45 | 178.2 | -166 | -175.5 | -177.8 | -157.5 | 0 | 112 | E78 L79 R84 E85 E86 | E78-K82 WeakPolarHBondContact O-CB 3.47Å; E78-K82 PolarHBondContact O-N 3.14Å; L79-K82 PolarHBondContact O-N 3.24Å; K82-R84 VanDerWaalsContact C-N 3.32Å; K82-R84 PolarHBondContact O-N 3.43Å; K82-E85 PolarHBondContact O-N 2.92Å; K82-E86 WeakPolarHBondContact CE-OE1 3.49Å; K82-E86 IonicContact NZ-OE1 2.75Å; K82-E86 WeakPolarHBondContact O-CG 3.5Å; K82-E86 PolarHBondContact O-N 3.41Å |
| 83 | Q | 97.8 | Very high | 97.4 | Very high | 127 Ų | 127 | 101.8 Ų | 101.8 | 59% | 0.593 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.1 | -38.5 | 175.8 | -76.6 | 178.1 | -17 | 0 | 0 | 112.9 | L79 H81 M87 | L79-Q83 WeakPolarHBondContact O-CB 3.49Å; L79-Q83 WeakPolarHBondContact O-CG 3.38Å; L79-Q83 PolarHBondContact O-N 3.37Å; H81-Q83 VanDerWaalsContact C-N 3.34Å; H81-Q83 PolarHBondContact O-N 3.2Å; Q83-M87 WeakPolarHBondContact O-CB 3.48Å; Q83-M87 PolarHBondContact O-N 2.89Å |
| 84 | R | 97.2 | Very high | 97.5 | Very high | 142 Ų | 142 | 103.3 Ų | 103.3 | 54% | 0.536 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.8 | -41.7 | 175.6 | -79.8 | -176.3 | -72.9 | 166.3 | -3 | 112.1 | S80 H81 K82 M87 K88 | S80-R84 WeakPolarHBondContact O-CG 3.45Å; S80-R84 PolarHBondContact O-N 3.1Å; S80-R84 PolarHBondContact O-NE 2.91Å; H81-R84 WeakPolarHBondContact O-CB 3.44Å; H81-R84 PolarHBondContact O-N 2.9Å; H81-R84 VanDerWaalsContact O-N 3.14Å; K82-R84 VanDerWaalsContact C-N 3.32Å; K82-R84 PolarHBondContact O-N 3.43Å; R84-M87 PolarHBondContact O-N 3.32Å; R84-K88 WeakPolarHBondContact O-CG 3.36Å; R84-K88 PolarHBondContact O-N 2.95Å |
| 85 | E | 97.1 | Very high | 97.6 | Very high | 83 Ų | 83 | 103.2 Ų | 103.2 | 39% | 0.388 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -70.3 | -39.2 | 178 | -63.9 | -53 | 121.9 | 0 | 0 | 112 | H81 K82 M87 K88 S89 | H81-E85 PolarHBondContact O-N 3.38Å; H81-E85 VanDerWaalsContact O-N 3.1Å; K82-E85 PolarHBondContact O-N 2.92Å; E85-M87 PolarHBondContact O-N 2.89Å; E85-K88 PolarHBondContact O-N 3.44Å; E85-K88 IonicContact OE1-NZ 3.62Å; E85-K88 PolarHBondContact OE1-NZ 3.5Å; E85-K88 IonicContact OE2-NZ 2.68Å; E85-S89 WeakPolarHBondContact O-CB 3.47Å; E85-S89 PolarHBondContact O-N 3.5Å |
| 86 | E | 96.9 | Very high | 97.6 | Very high | 97 Ų | 97 | 102.7 Ų | 102.7 | 45% | 0.453 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.7 | -42.8 | 172.7 | -73.8 | 176.3 | -173.9 | 0 | 0 | 111.4 | K82 K88 S89 L90 | K82-E86 WeakPolarHBondContact CE-OE1 3.49Å; K82-E86 IonicContact NZ-OE1 2.75Å; K82-E86 WeakPolarHBondContact O-CG 3.5Å; K82-E86 PolarHBondContact O-N 3.41Å; E86-K88 PolarHBondContact O-N 3.28Å; E86-S89 PolarHBondContact O-N 3.49Å; E86-L90 WeakPolarHBondContact O-CB 3.5Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 3.47Å |
| 87 | M | 98.1 | Very high | 97.7 | Very high | 124 Ų | 124 | 104 Ų | 104 | 61% | 0.611 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -61.3 | -44.2 | 175.1 | -171.8 | -151.5 | -65.1 | 0 | 0 | 111.8 | Q83 R84 E85 S89 L90 Q91 | Q83-M87 WeakPolarHBondContact O-CB 3.48Å; Q83-M87 PolarHBondContact O-N 2.89Å; R84-M87 PolarHBondContact O-N 3.32Å; E85-M87 PolarHBondContact O-N 2.89Å; M87-S89 PolarHBondContact O-N 3.3Å; M87-L90 PolarHBondContact O-N 2.74Å; M87-Q91 WeakPolarHBondContact O-CB 3.43Å; M87-Q91 PolarHBondContact O-N 2.99Å |
| 88 | K | 98.1 | Very high | 97.7 | Very high | 114 Ų | 114 | 104.6 Ų | 104.6 | 50% | 0.496 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -62 | -43.1 | 175.6 | -74.3 | 173.4 | -173.7 | 167.9 | 0 | 111.8 | R84 E85 E86 L90 Q91 A92 | R84-K88 WeakPolarHBondContact O-CG 3.36Å; R84-K88 PolarHBondContact O-N 2.95Å; E85-K88 PolarHBondContact O-N 3.44Å; E85-K88 IonicContact OE1-NZ 3.62Å; E85-K88 PolarHBondContact OE1-NZ 3.5Å; E85-K88 IonicContact OE2-NZ 2.68Å; E86-K88 PolarHBondContact O-N 3.28Å; K88-L90 VanDerWaalsContact C-N 3.34Å; K88-L90 PolarHBondContact O-N 2.88Å; K88-Q91 PolarHBondContact O-N 2.9Å; K88-A92 WeakPolarHBondContact O-CB 3.42Å; K88-A92 PolarHBondContact O-N 3.4Å |
| 89 | S | 98.2 | Very high | 97.8 | Very high | 82 Ų | 82 | 103.3 Ų | 103.3 | 57% | 0.573 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -62.6 | -41.6 | 177 | -173.8 | 0 | 0 | 0 | 0 | 111.7 | E85 E86 M87 A92 A93 | E85-S89 WeakPolarHBondContact O-CB 3.47Å; E85-S89 PolarHBondContact O-N 3.5Å; E86-S89 PolarHBondContact O-N 3.49Å; M87-S89 PolarHBondContact O-N 3.3Å; S89-A92 PolarHBondContact O-N 3.02Å; S89-A93 WeakPolarHBondContact O-CB 3.45Å; S89-A93 PolarHBondContact O-N 3.5Å |
| 90 | L | 98.3 | Very high | 97.8 | Very high | 114 Ų | 114 | 102.4 Ų | 102.4 | 60% | 0.597 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -64.3 | -44.2 | 175.3 | -77.2 | 165.6 | 0 | 0 | 0 | 111.6 | E86 M87 K88 A92 A93 L94 | E86-L90 WeakPolarHBondContact O-CB 3.5Å; E86-L90 WeakPolarHBondContact O-CG 3.38Å; E86-L90 PolarHBondContact O-N 3.47Å; M87-L90 PolarHBondContact O-N 2.74Å; K88-L90 VanDerWaalsContact C-N 3.34Å; K88-L90 PolarHBondContact O-N 2.88Å; L90-A92 VanDerWaalsContact C-N 3.33Å; L90-A92 PolarHBondContact O-N 3.28Å; L90-A93 PolarHBondContact O-N 2.95Å; L90-L94 WeakPolarHBondContact O-CG 3.25Å; L90-L94 PolarHBondContact O-N 2.9Å |
| 91 | Q | 98.3 | Very high | 97.9 | Very high | 133 Ų | 133 | 103 Ų | 103 | 62% | 0.621 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -61.1 | -42.6 | 176.8 | -172.6 | 176.6 | 4 | 0 | 0 | 111.5 | M87 K88 L94 Q95 | M87-Q91 WeakPolarHBondContact O-CB 3.43Å; M87-Q91 PolarHBondContact O-N 2.99Å; K88-Q91 PolarHBondContact O-N 2.9Å; Q91-L94 PolarHBondContact O-N 3.45Å; Q91-Q95 WeakPolarHBondContact O-CB 3.42Å; Q91-Q95 PolarHBondContact O-N 2.92Å |
| 92 | A | 98.1 | Very high | 98 | Very high | 61 Ų | 61 | 102.4 Ų | 102.4 | 50% | 0.504 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -64.9 | -40.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | K88 S89 L90 Q95 K96 | K88-A92 WeakPolarHBondContact O-CB 3.42Å; K88-A92 PolarHBondContact O-N 3.4Å; S89-A92 PolarHBondContact O-N 3.02Å; L90-A92 VanDerWaalsContact C-N 3.33Å; L90-A92 PolarHBondContact O-N 3.28Å; A92-Q95 PolarHBondContact O-N 3.41Å; A92-K96 WeakPolarHBondContact O-CB 3.35Å; A92-K96 PolarHBondContact O-N 3.24Å |
| 93 | A | 98.3 | Very high | 98 | Very high | 51 Ų | 51 | 101 Ų | 101 | 42% | 0.421 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -64.9 | -42.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S89 L90 K96 Q97 | S89-A93 WeakPolarHBondContact O-CB 3.45Å; S89-A93 PolarHBondContact O-N 3.5Å; L90-A93 PolarHBondContact O-N 2.95Å; A93-K96 PolarHBondContact O-N 3.46Å; A93-Q97 PolarHBondContact O-N 3.47Å |
| 94 | L | 98.2 | Very high | 98 | Very high | 116 Ų | 116 | 101 Ų | 101 | 61% | 0.607 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.6 | -43.8 | 175.8 | -74.5 | 173.1 | 0 | 0 | 0 | 111.8 | L90 Q91 K96 Q97 L98 | L90-L94 WeakPolarHBondContact O-CG 3.25Å; L90-L94 PolarHBondContact O-N 2.9Å; Q91-L94 PolarHBondContact O-N 3.45Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 3.33Å; L94-Q97 PolarHBondContact O-N 2.94Å; L94-L98 PolarHBondContact O-N 3.47Å |
| 95 | Q | 98.3 | Very high | 98 | Very high | 100 Ų | 100 | 96.6 Ų | 96.6 | 47% | 0.467 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.4 | -45.5 | 176.1 | -173.4 | 60.3 | 50.3 | 0 | 0 | 111 | Q91 A92 Q97 L98 D99 | Q91-Q95 WeakPolarHBondContact O-CB 3.42Å; Q91-Q95 PolarHBondContact O-N 2.92Å; A92-Q95 PolarHBondContact O-N 3.41Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-Q97 PolarHBondContact O-N 3.45Å; Q95-L98 WeakPolarHBondContact O-CB 3.42Å; Q95-L98 PolarHBondContact O-N 2.95Å; Q95-L98 VanDerWaalsContact O-N 3.12Å; Q95-D99 PolarHBondContact NE2-OD1 3.41Å; Q95-D99 VanDerWaalsContact O-CG 3.26Å; Q95-D99 PolarHBondContact O-N 2.95Å |
| 96 | K | 98.3 | Very high | 98.1 | Very high | 129 Ų | 129 | 97.8 Ų | 97.8 | 56% | 0.561 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -59.6 | -42.9 | 177 | -173.4 | -178.4 | -179.6 | -167.2 | 0 | 112.2 | A92 A93 L94 L98 D99 E100 | A92-K96 WeakPolarHBondContact O-CB 3.35Å; A92-K96 PolarHBondContact O-N 3.24Å; A93-K96 PolarHBondContact O-N 3.46Å; L94-K96 VanDerWaalsContact C-N 3.33Å; L94-K96 PolarHBondContact O-N 3.33Å; K96-L98 VanDerWaalsContact C-N 3.31Å; K96-L98 PolarHBondContact O-N 2.95Å; K96-D99 PolarHBondContact O-N 2.99Å; K96-E100 WeakPolarHBondContact CE-OE1 3.43Å; K96-E100 IonicContact NZ-OE1 3.59Å; K96-E100 WeakPolarHBondContact O-CB 3.29Å; K96-E100 WeakPolarHBondContact O-CG 3.35Å; K96-E100 PolarHBondContact O-N 3.12Å |
| 97 | Q | 98.3 | Very high | 98.1 | Very high | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.6 | -36.4 | 176 | -76.8 | -167.4 | -11.2 | 0 | 0 | 112.6 | A93 L94 Q95 A101 | A93-Q97 PolarHBondContact O-N 3.47Å; L94-Q97 PolarHBondContact O-N 2.94Å; Q95-Q97 VanDerWaalsContact C-N 3.34Å; Q95-Q97 PolarHBondContact O-N 3.45Å; Q97-A101 VanDerWaalsContact O-CB 3.25Å; Q97-A101 WeakPolarHBondContact O-CB 3.44Å; Q97-A101 PolarHBondContact O-N 3.4Å |
| 98 | L | 98.2 | Very high | 98.1 | Very high | 114 Ų | 114 | 99.3 Ų | 99.3 | 60% | 0.597 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -66.3 | -43.4 | 177.1 | -161.6 | 125.7 | 0 | 0 | 0 | 111.2 | L94 Q95 K96 A101 N102 | L94-L98 PolarHBondContact O-N 3.47Å; Q95-L98 WeakPolarHBondContact O-CB 3.42Å; Q95-L98 PolarHBondContact O-N 2.95Å; Q95-L98 VanDerWaalsContact O-N 3.12Å; K96-L98 VanDerWaalsContact C-N 3.31Å; K96-L98 PolarHBondContact O-N 2.95Å; L98-A101 PolarHBondContact O-N 3.06Å; L98-N102 WeakPolarHBondContact O-CB 3.15Å; L98-N102 PolarHBondContact O-N 3.23Å |
| 99 | D | 98 | Very high | 98.1 | Very high | 87 Ų | 87 | 98.9 Ų | 98.9 | 47% | 0.465 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -66.1 | -44.6 | 177.5 | -61.7 | -22.4 | 0 | 0 | 0 | 111.5 | Q95 K96 A101 N102 E103 | Q95-D99 PolarHBondContact NE2-OD1 3.41Å; Q95-D99 VanDerWaalsContact O-CG 3.26Å; Q95-D99 PolarHBondContact O-N 2.95Å; K96-D99 PolarHBondContact O-N 2.99Å; D99-A101 VanDerWaalsContact C-N 3.34Å; D99-A101 PolarHBondContact O-N 3.35Å; D99-N102 PolarHBondContact O-N 2.95Å; D99-E103 PolarHBondContact O-N 3.11Å |
| 100 | E | 98.3 | Very high | 98.1 | Very high | 77 Ų | 77 | 97.8 Ų | 97.8 | 36% | 0.36 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -62.7 | -39 | 175.7 | -76.1 | 179.7 | -163.1 | 0 | 0 | 112.4 | K96 K104 | K96-E100 WeakPolarHBondContact CE-OE1 3.43Å; K96-E100 IonicContact NZ-OE1 3.59Å; K96-E100 WeakPolarHBondContact O-CB 3.29Å; K96-E100 WeakPolarHBondContact O-CG 3.35Å; K96-E100 PolarHBondContact O-N 3.12Å; E100-K104 WeakPolarHBondContact O-CB 3.48Å; E100-K104 VanDerWaalsContact O-CG 3.29Å; E100-K104 WeakPolarHBondContact O-CG 3.11Å; E100-K104 PolarHBondContact O-N 2.9Å |
| 101 | A | 98.1 | Very high | 98.1 | Very high | 57 Ų | 57 | 96.1 Ų | 96.1 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66 | -40.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | Q97 L98 D99 K104 A105 | Q97-A101 VanDerWaalsContact O-CB 3.25Å; Q97-A101 WeakPolarHBondContact O-CB 3.44Å; Q97-A101 PolarHBondContact O-N 3.4Å; L98-A101 PolarHBondContact O-N 3.06Å; D99-A101 VanDerWaalsContact C-N 3.34Å; D99-A101 PolarHBondContact O-N 3.35Å; A101-K104 PolarHBondContact O-N 2.95Å; A101-A105 WeakPolarHBondContact O-CB 3.35Å; A101-A105 PolarHBondContact O-N 2.63Å |
| 102 | N | 98.1 | Very high | 98.2 | Very high | 87 Ų | 87 | 95.2 Ų | 95.2 | 47% | 0.465 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.5 | -46 | 176.4 | -171.3 | 64.6 | 0 | 0 | 0 | 111.8 | L98 D99 K104 A105 E106 | L98-N102 WeakPolarHBondContact O-CB 3.15Å; L98-N102 PolarHBondContact O-N 3.23Å; D99-N102 PolarHBondContact O-N 2.95Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 2.95Å; N102-A105 WeakPolarHBondContact O-CB 3.46Å; N102-A105 PolarHBondContact O-N 2.92Å; N102-A105 VanDerWaalsContact O-N 3.11Å; N102-E106 PolarHBondContact ND2-OE1 3.47Å; N102-E106 WeakPolarHBondContact O-CG 3.47Å; N102-E106 PolarHBondContact O-N 3.45Å |
| 103 | E | 98.1 | Very high | 98.2 | Very high | 98 Ų | 98 | 98.2 Ų | 98.2 | 46% | 0.458 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61 | -39.7 | 177.4 | -165.2 | -164.5 | 157.7 | 0 | 0 | 111.6 | D99 E106 K107 | D99-E103 PolarHBondContact O-N 3.11Å; E103-E106 PolarHBondContact O-N 3.4Å; E103-K107 WeakPolarHBondContact O-CG 3.47Å; E103-K107 PolarHBondContact O-N 3.34Å; E103-K107 WeakPolarHBondContact OE1-CE 3.36Å; E103-K107 IonicContact OE1-NZ 2.68Å; E103-K107 PolarHBondContact OE1-NZ 3.01Å |
| 104 | K | 97.9 | Very high | 98.2 | Very high | 126 Ų | 126 | 102.3 Ų | 102.3 | 55% | 0.548 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.7 | -42.7 | 174 | -75.7 | 172.8 | -175.9 | 170.1 | 0 | 111.8 | E100 A101 N102 K107 Q108 | E100-K104 WeakPolarHBondContact O-CB 3.48Å; E100-K104 VanDerWaalsContact O-CG 3.29Å; E100-K104 WeakPolarHBondContact O-CG 3.11Å; E100-K104 PolarHBondContact O-N 2.9Å; A101-K104 PolarHBondContact O-N 2.95Å; N102-K104 VanDerWaalsContact C-N 3.3Å; N102-K104 PolarHBondContact O-N 2.95Å; K104-K107 PolarHBondContact O-N 3.42Å; K104-Q108 WeakPolarHBondContact O-CG 3.49Å; K104-Q108 PolarHBondContact O-N 3.44Å |
| 105 | A | 97.9 | Very high | 98.2 | Very high | 49 Ų | 49 | 101.5 Ų | 101.5 | 41% | 0.405 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -63.1 | -42.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | A101 N102 Q108 Q109 | A101-A105 WeakPolarHBondContact O-CB 3.35Å; A101-A105 PolarHBondContact O-N 2.63Å; N102-A105 WeakPolarHBondContact O-CB 3.46Å; N102-A105 PolarHBondContact O-N 2.92Å; N102-A105 VanDerWaalsContact O-N 3.11Å; A105-Q108 PolarHBondContact O-N 2.89Å; A105-Q109 WeakPolarHBondContact O-CB 3.46Å; A105-Q109 PolarHBondContact O-N 3.44Å |
| 106 | E | 98 | Very high | 98.2 | Very high | 109 Ų | 109 | 103 Ų | 103 | 51% | 0.509 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63 | -43.9 | 175.9 | -73.6 | -179 | -174.5 | 0 | 0 | 112.2 | N102 E103 Q108 Q109 A110 | N102-E106 PolarHBondContact ND2-OE1 3.47Å; N102-E106 WeakPolarHBondContact O-CG 3.47Å; N102-E106 PolarHBondContact O-N 3.45Å; E103-E106 PolarHBondContact O-N 3.4Å; E106-Q108 PolarHBondContact O-N 2.91Å; E106-Q109 PolarHBondContact O-N 3.21Å; E106-A110 PolarHBondContact O-N 2.99Å |
| 107 | K | 98.1 | Very high | 98.2 | Very high | 121 Ų | 121 | 101.2 Ų | 101.2 | 53% | 0.526 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61 | -43.1 | 175 | -74.7 | 174.6 | -176.1 | 168.7 | 0 | 112.2 | E103 K104 A110 T111 | E103-K107 WeakPolarHBondContact O-CG 3.47Å; E103-K107 PolarHBondContact O-N 3.34Å; E103-K107 WeakPolarHBondContact OE1-CE 3.36Å; E103-K107 IonicContact OE1-NZ 2.68Å; E103-K107 PolarHBondContact OE1-NZ 3.01Å; K104-K107 PolarHBondContact O-N 3.42Å; K107-A110 PolarHBondContact O-N 3.05Å; K107-T111 PolarHBondContact O-N 3.4Å; K107-T111 PolarHBondContact O-OG1 2.87Å |
| 108 | Q | 98.1 | Very high | 98.2 | Very high | 132 Ų | 132 | 97.8 Ų | 97.8 | 62% | 0.617 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.4 | -43 | 174.7 | -73.6 | 178.5 | -4.6 | 0 | 0 | 111.2 | K104 A105 E106 A110 T111 I112 | K104-Q108 WeakPolarHBondContact O-CG 3.49Å; K104-Q108 PolarHBondContact O-N 3.44Å; A105-Q108 PolarHBondContact O-N 2.89Å; E106-Q108 PolarHBondContact O-N 2.91Å; Q108-A110 VanDerWaalsContact C-N 3.35Å; Q108-A110 PolarHBondContact O-N 3.41Å; Q108-T111 WeakPolarHBondContact O-CB 3.35Å; Q108-T111 PolarHBondContact O-N 2.85Å; Q108-I112 WeakPolarHBondContact O-CG1 3.34Å; Q108-I112 PolarHBondContact O-N 3.04Å |
| 109 | Q | 98.3 | Very high | 98.2 | Very high | 105 Ų | 105 | 98.6 Ų | 98.6 | 49% | 0.491 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 177.5 | -167 | -176 | 23.1 | 0 | 0 | 112.1 | A105 E106 T111 I112 K113 | A105-Q109 WeakPolarHBondContact O-CB 3.46Å; A105-Q109 PolarHBondContact O-N 3.44Å; E106-Q109 PolarHBondContact O-N 3.21Å; Q109-T111 VanDerWaalsContact C-N 3.35Å; Q109-I112 PolarHBondContact O-N 3.19Å; Q109-K113 WeakPolarHBondContact O-CG 3.47Å; Q109-K113 PolarHBondContact O-N 3.49Å |
| 110 | A | 98.2 | Very high | 98.3 | Very high | 59 Ų | 59 | 99.8 Ų | 99.8 | 49% | 0.488 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | E106 K107 Q108 K113 F114 | E106-A110 PolarHBondContact O-N 2.99Å; K107-A110 PolarHBondContact O-N 3.05Å; Q108-A110 VanDerWaalsContact C-N 3.35Å; Q108-A110 PolarHBondContact O-N 3.41Å; A110-K113 PolarHBondContact O-N 3.32Å; A110-F114 PolarHBondContact O-N 3.35Å |
| 111 | T | 98.2 | Very high | 98.3 | Very high | 79 Ų | 79 | 101.9 Ų | 101.9 | 49% | 0.485 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -63.1 | -45 | 176.7 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | K107 Q108 Q109 K113 F114 L115 | K107-T111 PolarHBondContact O-N 3.4Å; K107-T111 PolarHBondContact O-OG1 2.87Å; Q108-T111 WeakPolarHBondContact O-CB 3.35Å; Q108-T111 PolarHBondContact O-N 2.85Å; Q109-T111 VanDerWaalsContact C-N 3.35Å; T111-K113 VanDerWaalsContact C-N 3.35Å; T111-K113 PolarHBondContact O-N 2.87Å; T111-F114 PolarHBondContact O-N 2.91Å; T111-L115 HydrophobicContact CG2-CD1 4.14Å; T111-L115 HydrophobicContact CG2-CG 4.46Å; T111-L115 WeakPolarHBondContact O-CG 3.3Å; T111-L115 PolarHBondContact O-N 3.37Å |
| 112 | I | 98.5 | Very high | 98.3 | Very high | 114 Ų | 114 | 105.1 Ų | 105.1 | 59% | 0.585 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -60.6 | -44.4 | 176.4 | -69.4 | 165.8 | 0 | 0 | 0 | 110.9 | Q108 Q109 F114 L115 K116 | Q108-I112 WeakPolarHBondContact O-CG1 3.34Å; Q108-I112 PolarHBondContact O-N 3.04Å; Q109-I112 PolarHBondContact O-N 3.19Å; I112-F114 PolarHBondContact O-N 3.47Å; I112-L115 PolarHBondContact O-N 2.92Å; I112-K116 WeakPolarHBondContact O-CB 3.38Å; I112-K116 PolarHBondContact O-N 3.27Å |
| 113 | K | 98.5 | Very high | 98.3 | Very high | 124 Ų | 124 | 104.1 Ų | 104.1 | 54% | 0.539 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -60.5 | -44.8 | 176.6 | -75.8 | 174.4 | -179.2 | 172.7 | 0 | 111.6 | Q109 A110 T111 K116 V117 | Q109-K113 WeakPolarHBondContact O-CG 3.47Å; Q109-K113 PolarHBondContact O-N 3.49Å; A110-K113 PolarHBondContact O-N 3.32Å; T111-K113 VanDerWaalsContact C-N 3.35Å; T111-K113 PolarHBondContact O-N 2.87Å; K113-K116 PolarHBondContact O-N 2.96Å; K113-V117 WeakPolarHBondContact O-CG2 3.49Å; K113-V117 PolarHBondContact O-N 3.33Å; K113-V117 VanDerWaalsContact O-N 3.13Å |
| 114 | F | 98.6 | Very high | 98.4 | Very high | 136 Ų | 136 | 106 Ų | 106 | 60% | 0.596 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -59.8 | -50.4 | 176.1 | 173.6 | -97.2 | 0 | 0 | 0 | 111.8 | A110 T111 I112 K116 V117 E118 | A110-F114 PolarHBondContact O-N 3.35Å; T111-F114 PolarHBondContact O-N 2.91Å; I112-F114 PolarHBondContact O-N 3.47Å; F114-K116 VanDerWaalsContact C-N 3.27Å; F114-K116 PolarHBondContact O-N 3.13Å; F114-V117 PolarHBondContact O-N 3.33Å; F114-E118 HydrophobicContact CE1-CG 4.11Å; F114-E118 HydrophobicContact CE2-CG 4.29Å; F114-E118 HydrophobicContact CZ-CG 3.85Å; F114-E118 PolarHBondContact O-N 2.96Å |
| 115 | L | 98.6 | Very high | 98.4 | Very high | 99 Ų | 99 | 104 Ų | 104 | 52% | 0.518 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60.8 | -36.9 | 179 | -70.5 | 175.1 | 0 | 0 | 0 | 112.2 | T111 I112 E118 M119 | T111-L115 HydrophobicContact CG2-CD1 4.14Å; T111-L115 HydrophobicContact CG2-CG 4.46Å; T111-L115 WeakPolarHBondContact O-CG 3.3Å; T111-L115 PolarHBondContact O-N 3.37Å; I112-L115 PolarHBondContact O-N 2.92Å; L115-E118 PolarHBondContact O-N 3.49Å; L115-M119 VanDerWaalsContact O-CB 3.3Å; L115-M119 WeakPolarHBondContact O-CB 3.38Å; L115-M119 WeakPolarHBondContact O-CG 3.39Å; L115-M119 PolarHBondContact O-N 3.44Å |
| 116 | K | 98.5 | Very high | 98.4 | Very high | 132 Ų | 132 | 106 Ų | 106 | 57% | 0.574 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.3 | -47.7 | 175.3 | -174.8 | 179.2 | 178.4 | -177.3 | 0 | 111.8 | I112 K113 F114 M119 E120 | I112-K116 WeakPolarHBondContact O-CB 3.38Å; I112-K116 PolarHBondContact O-N 3.27Å; K113-K116 PolarHBondContact O-N 2.96Å; F114-K116 VanDerWaalsContact C-N 3.27Å; F114-K116 PolarHBondContact O-N 3.13Å; K116-M119 WeakPolarHBondContact O-CB 3.24Å; K116-M119 PolarHBondContact O-N 2.95Å; K116-E120 VanDerWaalsContact CE-OE1 3.24Å; K116-E120 WeakPolarHBondContact CE-OE1 3.47Å; K116-E120 WeakPolarHBondContact O-CG 3.38Å; K116-E120 PolarHBondContact O-N 3.45Å |
| 117 | V | 98.4 | Very high | 98.4 | Very high | 91 Ų | 91 | 107.3 Ų | 107.3 | 55% | 0.552 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.7 | -43.9 | 178.3 | 173.2 | 0 | 0 | 0 | 0 | 111.2 | K113 F114 M119 E120 K121 | K113-V117 WeakPolarHBondContact O-CG2 3.49Å; K113-V117 PolarHBondContact O-N 3.33Å; K113-V117 VanDerWaalsContact O-N 3.13Å; F114-V117 PolarHBondContact O-N 3.33Å; V117-M119 PolarHBondContact O-N 3.07Å; V117-E120 PolarHBondContact O-N 2.99Å; V117-K121 WeakPolarHBondContact O-CB 3.42Å; V117-K121 PolarHBondContact O-N 2.78Å |
| 118 | E | 98.4 | Very high | 98.5 | Very high | 57 Ų | 57 | 105.5 Ų | 105.5 | 27% | 0.266 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.3 | -40.4 | 176 | -93.2 | -68.1 | 121.7 | 0 | 0 | 112.1 | F114 L115 K121 K122 | F114-E118 HydrophobicContact CE1-CG 4.11Å; F114-E118 HydrophobicContact CE2-CG 4.29Å; F114-E118 HydrophobicContact CZ-CG 3.85Å; F114-E118 PolarHBondContact O-N 2.96Å; L115-E118 PolarHBondContact O-N 3.49Å; E118-K121 PolarHBondContact O-N 3.29Å; E118-K121 IonicContact OE1-NZ 3.87Å; E118-K122 WeakPolarHBondContact O-CB 3.44Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.43Å; E118-K122 PolarHBondContact O-N 3.39Å; E118-K122 WeakPolarHBondContact OE2-CE 3.5Å |
| 119 | M | 98.5 | Very high | 98.5 | Very high | 132 Ų | 132 | 103.6 Ų | 103.6 | 65% | 0.65 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60.6 | -45.7 | 173.5 | -92.4 | -102.5 | -74.2 | 0 | 0 | 112.6 | L115 K116 V117 K122 T123 | L115-M119 VanDerWaalsContact O-CB 3.3Å; L115-M119 WeakPolarHBondContact O-CB 3.38Å; L115-M119 WeakPolarHBondContact O-CG 3.39Å; L115-M119 PolarHBondContact O-N 3.44Å; K116-M119 WeakPolarHBondContact O-CB 3.24Å; K116-M119 PolarHBondContact O-N 2.95Å; V117-M119 PolarHBondContact O-N 3.07Å; M119-K122 PolarHBondContact O-N 3.4Å; M119-T123 WeakPolarHBondContact O-CB 3.47Å; M119-T123 PolarHBondContact O-N 3.19Å; M119-T123 PolarHBondContact O-OG1 3.13Å |
| 120 | E | 98.3 | Very high | 98.5 | Very high | 112 Ų | 112 | 104.6 Ų | 104.6 | 52% | 0.523 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -61.8 | -43.8 | 177.6 | -74.5 | 172.2 | -170.2 | 0 | 0 | 111.2 | K116 V117 T123 K124 | K116-E120 VanDerWaalsContact CE-OE1 3.24Å; K116-E120 WeakPolarHBondContact CE-OE1 3.47Å; K116-E120 WeakPolarHBondContact O-CG 3.38Å; K116-E120 PolarHBondContact O-N 3.45Å; V117-E120 PolarHBondContact O-N 2.99Å; E120-T123 PolarHBondContact O-N 3.43Å; E120-K124 PolarHBondContact O-N 3.13Å |
| 121 | K | 98.5 | Very high | 98.5 | Very high | 120 Ų | 120 | 108.4 Ų | 108.4 | 52% | 0.522 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.5 | -48.3 | 175.3 | -177.5 | -176.6 | 173.8 | -170.8 | 0 | 112 | V117 E118 T123 K124 I125 | V117-K121 WeakPolarHBondContact O-CB 3.42Å; V117-K121 PolarHBondContact O-N 2.78Å; E118-K121 PolarHBondContact O-N 3.29Å; E118-K121 IonicContact OE1-NZ 3.87Å; K121-T123 VanDerWaalsContact C-N 3.31Å; K121-T123 PolarHBondContact O-N 3.23Å; K121-K124 WeakPolarHBondContact O-CB 3.3Å; K121-K124 PolarHBondContact O-N 3.44Å; K121-I125 HydrophobicContact CG-CD1 4.25Å; K121-I125 WeakPolarHBondContact O-CG1 3.31Å; K121-I125 PolarHBondContact O-N 2.89Å; K121-I125 VanDerWaalsContact O-N 3.07Å |
| 122 | K | 98.6 | Very high | 98.5 | Very high | 126 Ų | 126 | 110 Ų | 110 | 55% | 0.548 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -61.4 | -40.7 | 177.2 | -73.2 | -177.6 | -176.6 | -162.3 | 0 | 111.7 | E118 M119 K124 I125 I126 | E118-K122 WeakPolarHBondContact O-CB 3.44Å; E118-K122 VanDerWaalsContact O-CG 3.31Å; E118-K122 WeakPolarHBondContact O-CG 3.43Å; E118-K122 PolarHBondContact O-N 3.39Å; E118-K122 WeakPolarHBondContact OE2-CE 3.5Å; M119-K122 PolarHBondContact O-N 3.4Å; K122-K124 VanDerWaalsContact C-N 3.33Å; K122-K124 PolarHBondContact O-N 2.99Å; K122-I125 PolarHBondContact O-N 2.98Å; K122-I126 VanDerWaalsContact O-CG1 3.3Å; K122-I126 WeakPolarHBondContact O-CG1 3.4Å; K122-I126 PolarHBondContact O-N 3.34Å |
| 123 | T | 98.7 | Very high | 98.5 | Very high | 65 Ų | 65 | 109.5 Ų | 109.5 | 40% | 0.399 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -61.6 | -41.1 | 176.5 | -59.6 | 0 | 0 | 0 | 0 | 111.7 | M119 E120 K121 I126 K127 | M119-T123 WeakPolarHBondContact O-CB 3.47Å; M119-T123 PolarHBondContact O-N 3.19Å; M119-T123 PolarHBondContact O-OG1 3.13Å; E120-T123 PolarHBondContact O-N 3.43Å; K121-T123 VanDerWaalsContact C-N 3.31Å; K121-T123 PolarHBondContact O-N 3.23Å; T123-I126 PolarHBondContact O-N 3.48Å; T123-K127 WeakPolarHBondContact O-CG 3.23Å; T123-K127 PolarHBondContact O-N 3.01Å; T123-K127 VanDerWaalsContact O-N 3.13Å |
| 124 | K | 98.6 | Very high | 98.5 | Very high | 139 Ų | 139 | 111 Ų | 111 | 60% | 0.604 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.1 | -48.3 | 175.3 | -173.3 | 179.6 | 177.1 | -176.6 | 0 | 111.6 | E120 K121 K122 I126 K127 D128 | E120-K124 PolarHBondContact O-N 3.13Å; K121-K124 WeakPolarHBondContact O-CB 3.3Å; K121-K124 PolarHBondContact O-N 3.44Å; K122-K124 VanDerWaalsContact C-N 3.33Å; K122-K124 PolarHBondContact O-N 2.99Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 2.92Å; K124-K127 PolarHBondContact O-N 3.36Å; K124-K127 VanDerWaalsContact O-N 3.13Å; K124-D128 PolarHBondContact O-N 2.94Å |
| 125 | I | 98.6 | Very high | 98.5 | Very high | 84 Ų | 84 | 107.1 Ų | 107.1 | 43% | 0.431 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -58.5 | -43.2 | 178 | -66.7 | 166.7 | 0 | 0 | 0 | 111.1 | K121 K122 K127 D128 L129 | K121-I125 HydrophobicContact CG-CD1 4.25Å; K121-I125 WeakPolarHBondContact O-CG1 3.31Å; K121-I125 PolarHBondContact O-N 2.89Å; K121-I125 VanDerWaalsContact O-N 3.07Å; K122-I125 PolarHBondContact O-N 2.98Å; I125-K127 VanDerWaalsContact C-N 3.33Å; I125-K127 PolarHBondContact O-N 2.88Å; I125-D128 PolarHBondContact O-N 3.46Å; I125-L129 HydrophobicContact CG2-CD1 3.81Å; I125-L129 HydrophobicContact CG2-CG 4.26Å; I125-L129 WeakPolarHBondContact O-CB 3.44Å; I125-L129 WeakPolarHBondContact O-CG 3.35Å; I125-L129 PolarHBondContact O-N 3Å |
| 126 | I | 98.6 | Very high | 98.5 | Very high | 91 Ų | 91 | 106.5 Ų | 106.5 | 47% | 0.467 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -59.8 | -44.4 | 177.4 | -70.8 | 165.7 | 0 | 0 | 0 | 110.9 | K122 T123 K124 L129 Q130 | K122-I126 VanDerWaalsContact O-CG1 3.3Å; K122-I126 WeakPolarHBondContact O-CG1 3.4Å; K122-I126 PolarHBondContact O-N 3.34Å; T123-I126 PolarHBondContact O-N 3.48Å; K124-I126 VanDerWaalsContact C-N 3.3Å; K124-I126 PolarHBondContact O-N 2.92Å; I126-L129 PolarHBondContact O-N 3.36Å; I126-Q130 HydrophobicContact CG2-CG 4.42Å; I126-Q130 WeakPolarHBondContact O-CB 3.42Å; I126-Q130 VanDerWaalsContact O-CG 3.23Å; I126-Q130 WeakPolarHBondContact O-CG 3.32Å; I126-Q130 PolarHBondContact O-N 3.44Å |
| 127 | K | 98.6 | Very high | 98.4 | Very high | 135 Ų | 135 | 106.9 Ų | 106.9 | 59% | 0.587 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -63.4 | -44.9 | 178 | -72.2 | 177.5 | 179.4 | 179.6 | 0 | 112 | T123 K124 I125 Q130 Q131 | T123-K127 WeakPolarHBondContact O-CG 3.23Å; T123-K127 PolarHBondContact O-N 3.01Å; T123-K127 VanDerWaalsContact O-N 3.13Å; K124-K127 PolarHBondContact O-N 3.36Å; K124-K127 VanDerWaalsContact O-N 3.13Å; I125-K127 VanDerWaalsContact C-N 3.33Å; I125-K127 PolarHBondContact O-N 2.88Å; K127-Q130 PolarHBondContact O-N 3.49Å; K127-Q131 PolarHBondContact O-N 3.32Å |
| 128 | D | 98.5 | Very high | 98.4 | Very high | 84 Ų | 84 | 107.1 Ų | 107.1 | 45% | 0.449 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -62.3 | -45.2 | 179.2 | -66.2 | -16.4 | 0 | 0 | 0 | 110.7 | K124 I125 Q130 Q131 E132 | K124-D128 PolarHBondContact O-N 2.94Å; I125-D128 PolarHBondContact O-N 3.46Å; D128-Q130 PolarHBondContact O-N 2.91Å; D128-Q131 PolarHBondContact O-N 3.26Å; D128-E132 PolarHBondContact O-N 3.12Å |
| 129 | L | 98.7 | Very high | 98.3 | Very high | 91 Ų | 91 | 110.8 Ų | 110.8 | 48% | 0.476 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 176 | -72 | 174.6 | 0 | 0 | 0 | 112.9 | I125 I126 Q131 E132 N133 | I125-L129 HydrophobicContact CG2-CD1 3.81Å; I125-L129 HydrophobicContact CG2-CG 4.26Å; I125-L129 WeakPolarHBondContact O-CB 3.44Å; I125-L129 WeakPolarHBondContact O-CG 3.35Å; I125-L129 PolarHBondContact O-N 3Å; I126-L129 PolarHBondContact O-N 3.36Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; L129-E132 PolarHBondContact O-N 3.41Å; L129-N133 WeakPolarHBondContact O-CB 3.39Å; L129-N133 PolarHBondContact O-N 2.98Å; L129-N133 PolarHBondContact O-ND2 3.23Å |
| 130 | Q | 98.4 | Very high | 98.3 | Very high | 126 Ų | 126 | 111 Ų | 111 | 59% | 0.589 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -64.4 | -40.8 | 174.4 | -77.5 | 174.9 | -13.2 | 0 | 0 | 111.5 | I126 K127 D128 K134 | I126-Q130 HydrophobicContact CG2-CG 4.42Å; I126-Q130 WeakPolarHBondContact O-CB 3.42Å; I126-Q130 VanDerWaalsContact O-CG 3.23Å; I126-Q130 WeakPolarHBondContact O-CG 3.32Å; I126-Q130 PolarHBondContact O-N 3.44Å; K127-Q130 PolarHBondContact O-N 3.49Å; D128-Q130 PolarHBondContact O-N 2.91Å; Q130-K134 PolarHBondContact O-N 2.97Å; Q130-K134 VanDerWaalsContact O-N 3.12Å |
| 131 | Q | 98.4 | Very high | 98.2 | Very high | 139 Ų | 139 | 110.2 Ų | 110.2 | 65% | 0.65 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -65.8 | -44 | 176 | 179.1 | 175.8 | -7.5 | 0 | 0 | 111.7 | K127 D128 L129 K134 S135 | K127-Q131 PolarHBondContact O-N 3.32Å; D128-Q131 PolarHBondContact O-N 3.26Å; L129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-K134 WeakPolarHBondContact O-CB 3.41Å; Q131-K134 PolarHBondContact O-N 3.47Å; Q131-S135 PolarHBondContact O-N 2.98Å |
| 132 | E | 98.2 | Very high | 98 | Very high | 114 Ų | 114 | 107.5 Ų | 107.5 | 53% | 0.533 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -61.3 | -45.8 | 177.1 | -172.2 | 173.7 | -172.9 | 0 | 0 | 111.3 | D128 L129 K134 S135 L136 | D128-E132 PolarHBondContact O-N 3.12Å; L129-E132 PolarHBondContact O-N 3.41Å; E132-K134 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 3.29Å; E132-S135 WeakPolarHBondContact O-CA 3.31Å; E132-S135 WeakPolarHBondContact O-CB 3.5Å; E132-S135 PolarHBondContact O-N 3.49Å; E132-L136 HydrophobicContact CG-CD1 4.09Å; E132-L136 HydrophobicContact CG-CG 4.31Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 3.03Å |
| 133 | N | 98.3 | Very high | 97.9 | Very high | 103 Ų | 103 | 102.8 Ų | 102.8 | 55% | 0.551 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -58.3 | -40.6 | 175.5 | -86.5 | -57.9 | 0 | 0 | 0 | 112.9 | L129 S135 L136 K137 | L129-N133 WeakPolarHBondContact O-CB 3.39Å; L129-N133 PolarHBondContact O-N 2.98Å; L129-N133 PolarHBondContact O-ND2 3.23Å; N133-S135 VanDerWaalsContact C-N 3.34Å; N133-S135 PolarHBondContact O-N 3.48Å; N133-L136 PolarHBondContact O-N 2.9Å; N133-K137 WeakPolarHBondContact O-CB 3.42Å; N133-K137 PolarHBondContact O-N 2.69Å |
| 134 | K | 98.4 | Very high | 97.8 | Very high | 154 Ų | 154 | 104.1 Ų | 104.1 | 67% | 0.67 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -62.6 | -42.2 | 175.1 | -173.5 | 177.2 | -179.8 | 178.9 | 0 | 111.6 | Q130 Q131 E132 N138 | Q130-K134 PolarHBondContact O-N 2.97Å; Q130-K134 VanDerWaalsContact O-N 3.12Å; Q131-K134 WeakPolarHBondContact O-CB 3.41Å; Q131-K134 PolarHBondContact O-N 3.47Å; E132-K134 VanDerWaalsContact C-N 3.3Å; E132-K134 PolarHBondContact O-N 3.29Å; K134-N138 PolarHBondContact O-N 2.93Å; K134-N138 PolarHBondContact O-ND2 3.32Å |
| 135 | S | 98.2 | Very high | 97.6 | Very high | 56 Ų | 56 | 104.9 Ų | 104.9 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -64.1 | -46.3 | 176.1 | -175.2 | 0 | 0 | 0 | 0 | 111.9 | Q131 E132 N133 K137 N138 K139 | Q131-S135 PolarHBondContact O-N 2.98Å; E132-S135 WeakPolarHBondContact O-CA 3.31Å; E132-S135 WeakPolarHBondContact O-CB 3.5Å; E132-S135 PolarHBondContact O-N 3.49Å; N133-S135 VanDerWaalsContact C-N 3.34Å; N133-S135 PolarHBondContact O-N 3.48Å; S135-K137 PolarHBondContact O-N 3.05Å; S135-N138 WeakPolarHBondContact O-CB 3.39Å; S135-N138 PolarHBondContact O-N 2.93Å; S135-K139 PolarHBondContact O-N 3.3Å |
| 136 | L | 98.3 | Very high | 97.5 | Very high | 86 Ų | 86 | 105.7 Ų | 105.7 | 45% | 0.45 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -62.3 | -43.2 | 178.3 | -71.4 | 175 | 0 | 0 | 0 | 111.9 | E132 N133 N138 K139 L140 | E132-L136 HydrophobicContact CG-CD1 4.09Å; E132-L136 HydrophobicContact CG-CG 4.31Å; E132-L136 WeakPolarHBondContact O-CG 3.5Å; E132-L136 PolarHBondContact O-N 3.03Å; N133-L136 PolarHBondContact O-N 2.9Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 3.49Å; L136-K139 PolarHBondContact O-N 3.23Å; L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 PolarHBondContact O-N 2.79Å |
| 137 | K | 97.9 | Very high | 97.3 | Very high | 140 Ų | 140 | 105.2 Ų | 105.2 | 61% | 0.609 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -56.4 | -43.7 | 174.2 | -175.9 | 175.5 | -178.8 | 174.5 | 0 | 111.8 | N133 S135 L140 L141 | N133-K137 WeakPolarHBondContact O-CB 3.42Å; N133-K137 PolarHBondContact O-N 2.69Å; S135-K137 PolarHBondContact O-N 3.05Å; K137-L140 PolarHBondContact O-N 3.13Å; K137-L141 HydrophobicContact CG-CD1 4.2Å; K137-L141 WeakPolarHBondContact O-CB 3.38Å; K137-L141 VanDerWaalsContact O-CG 3.31Å; K137-L141 WeakPolarHBondContact O-CG 3.39Å; K137-L141 PolarHBondContact O-N 3.32Å |
| 138 | N | 97.3 | Very high | 97.2 | Very high | 95 Ų | 95 | 103 Ų | 103 | 51% | 0.508 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 177.4 | -70.6 | -18.1 | 0 | 0 | 0 | 112 | K134 S135 L136 L140 L141 S142 | K134-N138 PolarHBondContact O-N 2.93Å; K134-N138 PolarHBondContact O-ND2 3.32Å; S135-N138 WeakPolarHBondContact O-CB 3.39Å; S135-N138 PolarHBondContact O-N 2.93Å; L136-N138 VanDerWaalsContact C-N 3.29Å; L136-N138 PolarHBondContact O-N 3.49Å; N138-L140 VanDerWaalsContact C-N 3.32Å; N138-L140 PolarHBondContact O-N 3.34Å; N138-L141 PolarHBondContact O-N 3.21Å; N138-S142 PolarHBondContact O-N 3.35Å; N138-S142 PolarHBondContact O-OG 2.87Å |
| 139 | K | 97.5 | Very high | 97.1 | Very high | 135 Ų | 135 | 101.7 Ų | 101.7 | 59% | 0.587 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -60.4 | -42.5 | 176.5 | -73.1 | -179 | -179.1 | -180 | 0 | 111.6 | S135 L136 S142 G143 | S135-K139 PolarHBondContact O-N 3.3Å; L136-K139 PolarHBondContact O-N 3.23Å; K139-S142 WeakPolarHBondContact CA-OG 3.35Å; K139-S142 PolarHBondContact O-N 3.2Å; K139-S142 PolarHBondContact O-OG 3.47Å; K139-G143 PolarHBondContact O-N 2.8Å |
| 140 | L | 97.3 | Very high | 97 | Very high | 135 Ų | 135 | 104.2 Ų | 104.2 | 71% | 0.707 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.9 | -45.1 | 177 | -174.1 | 64.9 | 0 | 0 | 0 | 111.5 | L136 K137 N138 S142 G143 N144 | L136-L140 WeakPolarHBondContact O-CB 3.49Å; L136-L140 PolarHBondContact O-N 2.79Å; K137-L140 PolarHBondContact O-N 3.13Å; N138-L140 VanDerWaalsContact C-N 3.32Å; N138-L140 PolarHBondContact O-N 3.34Å; L140-S142 PolarHBondContact O-N 2.85Å; L140-G143 PolarHBondContact O-N 3.46Å; L140-N144 PolarHBondContact O-N 3.39Å |
| 141 | L | 95.8 | Very high | 97 | Very high | 97 Ų | 97 | 100.4 Ų | 100.4 | 51% | 0.508 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.8 | -74.4 | 166.6 | 0 | 0 | 0 | 112.3 | K137 N138 K145 | K137-L141 HydrophobicContact CG-CD1 4.2Å; K137-L141 WeakPolarHBondContact O-CB 3.38Å; K137-L141 VanDerWaalsContact O-CG 3.31Å; K137-L141 WeakPolarHBondContact O-CG 3.39Å; K137-L141 PolarHBondContact O-N 3.32Å; N138-L141 PolarHBondContact O-N 3.21Å; L141-K145 WeakPolarHBondContact O-CG 3.48Å; L141-K145 PolarHBondContact O-N 3.23Å |
| 142 | S | 95 | Very high | 96.9 | Very high | 62 Ų | 62 | 98.2 Ų | 98.2 | 43% | 0.434 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -68.5 | -36.2 | 174.1 | 56.7 | 0 | 0 | 0 | 0 | 112.6 | N138 K139 L140 K145 L146 | N138-S142 PolarHBondContact O-N 3.35Å; N138-S142 PolarHBondContact O-OG 2.87Å; K139-S142 WeakPolarHBondContact CA-OG 3.35Å; K139-S142 PolarHBondContact O-N 3.2Å; K139-S142 PolarHBondContact O-OG 3.47Å; L140-S142 PolarHBondContact O-N 2.85Å; S142-K145 PolarHBondContact O-N 3.2Å; S142-L146 PolarHBondContact O-N 3.49Å |
| 143 | G | 96.9 | Very high | 96.8 | Very high | 27 Ų | 27 | 97.9 Ų | 97.9 | 28% | 0.278 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | K139 L140 K145 L146 C147 | K139-G143 PolarHBondContact O-N 2.8Å; L140-G143 PolarHBondContact O-N 3.46Å; G143-K145 VanDerWaalsContact C-N 3.33Å; G143-K145 PolarHBondContact O-N 2.82Å; G143-L146 WeakPolarHBondContact O-CB 3.4Å; G143-L146 PolarHBondContact O-N 3.06Å; G143-L146 VanDerWaalsContact O-N 3.09Å; G143-C147 PolarHBondContact O-N 3.03Å; G143-C147 PolarHBondContact O-SG 3.01Å |
| 144 | N | 95.9 | Very high | 96.8 | Very high | 94 Ų | 94 | 96.4 Ų | 96.4 | 50% | 0.503 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59 | -43.7 | 177 | -163.3 | 86.4 | 0 | 0 | 0 | 112 | L140 L146 C147 D148 | L140-N144 PolarHBondContact O-N 3.39Å; N144-L146 VanDerWaalsContact C-N 3.26Å; N144-L146 PolarHBondContact O-N 3.34Å; N144-C147 WeakPolarHBondContact O-CB 3.45Å; N144-C147 PolarHBondContact O-N 2.93Å; N144-C147 VanDerWaalsContact O-N 3.13Å; N144-D148 PolarHBondContact ND2-OD2 3.29Å; N144-D148 VanDerWaalsContact O-CG 3.31Å; N144-D148 PolarHBondContact O-N 2.95Å |
| 145 | K | 95.6 | Very high | 96.8 | Very high | 155 Ų | 155 | 94.7 Ų | 94.7 | 67% | 0.674 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.9 | -36.7 | 176.4 | -67.5 | 176 | -177.1 | -175.8 | 0 | 112.6 | L141 S142 G143 A149 | L141-K145 WeakPolarHBondContact O-CG 3.48Å; L141-K145 PolarHBondContact O-N 3.23Å; S142-K145 PolarHBondContact O-N 3.2Å; G143-K145 VanDerWaalsContact C-N 3.33Å; G143-K145 PolarHBondContact O-N 2.82Å; K145-A149 PolarHBondContact O-N 2.88Å; K145-A149 VanDerWaalsContact O-N 3.1Å |
| 146 | L | 94.9 | Very high | 96.8 | Very high | 101 Ų | 101 | 98.7 Ų | 98.7 | 53% | 0.529 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -70 | -41.5 | 175.2 | -70.3 | 171.7 | 0 | 0 | 0 | 111.4 | S142 G143 N144 D148 A149 Y150 | S142-L146 PolarHBondContact O-N 3.49Å; G143-L146 WeakPolarHBondContact O-CB 3.4Å; G143-L146 PolarHBondContact O-N 3.06Å; G143-L146 VanDerWaalsContact O-N 3.09Å; N144-L146 VanDerWaalsContact C-N 3.26Å; N144-L146 PolarHBondContact O-N 3.34Å; L146-D148 VanDerWaalsContact C-N 3.32Å; L146-D148 PolarHBondContact O-N 3.5Å; L146-A149 PolarHBondContact O-N 3.31Å; L146-Y150 HydrophobicContact CB-CD2 4.48Å; L146-Y150 HydrophobicContact CB-CE2 4.27Å; L146-Y150 WeakPolarHBondContact O-CD2 3.44Å; L146-Y150 PolarHBondContact O-N 3.3Å |
| 147 | C | 95.4 | Very high | 96.8 | Very high | 80 Ų | 80 | 99 Ų | 99 | 54% | 0.541 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58.3 | -44 | 173.8 | -70 | 0 | 0 | 0 | 0 | 111.9 | G143 N144 A149 Y150 A151 | G143-C147 PolarHBondContact O-N 3.03Å; G143-C147 PolarHBondContact O-SG 3.01Å; N144-C147 WeakPolarHBondContact O-CB 3.45Å; N144-C147 PolarHBondContact O-N 2.93Å; N144-C147 VanDerWaalsContact O-N 3.13Å; C147-A149 VanDerWaalsContact C-N 3.35Å; C147-A149 PolarHBondContact O-N 3.37Å; C147-Y150 PolarHBondContact O-N 2.89Å; C147-A151 WeakPolarHBondContact O-CB 3.08Å; C147-A151 PolarHBondContact O-N 3.44Å |
| 148 | D | 96.1 | Very high | 96.8 | Very high | 89 Ų | 89 | 97.5 Ų | 97.5 | 48% | 0.476 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -61.3 | -43.9 | 176.1 | -64 | -34.5 | 0 | 0 | 0 | 111.2 | N144 L146 Y150 A151 E152 | N144-D148 PolarHBondContact ND2-OD2 3.29Å; N144-D148 VanDerWaalsContact O-CG 3.31Å; N144-D148 PolarHBondContact O-N 2.95Å; L146-D148 VanDerWaalsContact C-N 3.32Å; L146-D148 PolarHBondContact O-N 3.5Å; D148-Y150 PolarHBondContact O-N 2.93Å; D148-A151 PolarHBondContact O-N 3.48Å; D148-E152 PolarHBondContact O-N 3.38Å |
| 149 | A | 96.3 | Very high | 96.9 | Very high | 57 Ų | 57 | 95.7 Ų | 95.7 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.6 | -44 | 176 | 0 | 0 | 0 | 0 | 0 | 112.3 | K145 L146 C147 A151 E152 E153 | K145-A149 PolarHBondContact O-N 2.88Å; K145-A149 VanDerWaalsContact O-N 3.1Å; L146-A149 PolarHBondContact O-N 3.31Å; C147-A149 VanDerWaalsContact C-N 3.35Å; C147-A149 PolarHBondContact O-N 3.37Å; A149-A151 VanDerWaalsContact C-N 3.34Å; A149-A151 PolarHBondContact O-N 2.95Å; A149-E152 PolarHBondContact O-N 3.1Å; A149-E153 PolarHBondContact O-N 3.49Å |
| 150 | Y | 97.3 | Very high | 96.9 | Very high | 143 Ų | 143 | 95 Ų | 95 | 56% | 0.561 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -66.3 | -34.9 | 176.6 | -73.6 | -52.3 | 0 | 0 | 0 | 112.7 | L146 C147 D148 E153 S154 | L146-Y150 HydrophobicContact CB-CD2 4.48Å; L146-Y150 HydrophobicContact CB-CE2 4.27Å; L146-Y150 WeakPolarHBondContact O-CD2 3.44Å; L146-Y150 PolarHBondContact O-N 3.3Å; C147-Y150 PolarHBondContact O-N 2.89Å; D148-Y150 PolarHBondContact O-N 2.93Å; Y150-E153 PolarHBondContact O-N 3.26Å; Y150-S154 VanDerWaalsContact O-CB 3.29Å; Y150-S154 WeakPolarHBondContact O-CB 3.32Å; Y150-S154 PolarHBondContact O-N 3.04Å; Y150-S154 PolarHBondContact O-OG 3.35Å |
| 151 | A | 97.6 | Very high | 97 | Very high | 46 Ų | 46 | 93 Ų | 93 | 38% | 0.38 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | C147 D148 A149 S154 K155 | C147-A151 WeakPolarHBondContact O-CB 3.08Å; C147-A151 PolarHBondContact O-N 3.44Å; D148-A151 PolarHBondContact O-N 3.48Å; A149-A151 VanDerWaalsContact C-N 3.34Å; A149-A151 PolarHBondContact O-N 2.95Å; A151-S154 PolarHBondContact O-N 3.22Å; A151-K155 WeakPolarHBondContact O-CG 3.29Å; A151-K155 PolarHBondContact O-N 3.09Å |
| 152 | E | 96.7 | Very high | 97.1 | Very high | 94 Ų | 94 | 93.1 Ų | 93.1 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.2 | -41.1 | 175.4 | -71.2 | -54.3 | 127.5 | 0 | 0 | 112.8 | D148 A149 S154 K155 K156 | D148-E152 PolarHBondContact O-N 3.38Å; A149-E152 PolarHBondContact O-N 3.1Å; E152-S154 VanDerWaalsContact C-N 3.33Å; E152-S154 PolarHBondContact O-N 2.9Å; E152-K155 PolarHBondContact O-N 3.45Å; E152-K155 IonicContact OE1-NZ 3.59Å; E152-K155 PolarHBondContact OE1-NZ 3.42Å; E152-K156 WeakPolarHBondContact O-CG 3.45Å; E152-K156 PolarHBondContact O-N 3.18Å; E152-K156 VanDerWaalsContact O-N 3.08Å |
| 153 | E | 97.3 | Very high | 97.2 | Very high | 106 Ų | 106 | 97 Ų | 97 | 50% | 0.495 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.3 | -42.1 | 173.6 | -170.6 | 174.6 | -168.1 | 0 | 0 | 111.5 | A149 Y150 K155 K156 I157 | A149-E153 PolarHBondContact O-N 3.49Å; Y150-E153 PolarHBondContact O-N 3.26Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 2.77Å; E153-K156 WeakPolarHBondContact O-CB 3.39Å; E153-K156 PolarHBondContact O-N 2.94Å; E153-K156 VanDerWaalsContact O-N 3.13Å; E153-I157 HydrophobicContact CG-CD1 4.12Å; E153-I157 WeakPolarHBondContact O-CG1 3.38Å; E153-I157 PolarHBondContact O-N 2.93Å |
| 154 | S | 97.9 | Very high | 97.3 | Very high | 72 Ų | 72 | 101.7 Ų | 101.7 | 50% | 0.503 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61 | -40.5 | 175.9 | -62.6 | 0 | 0 | 0 | 0 | 112.1 | Y150 A151 E152 I157 Q158 | Y150-S154 VanDerWaalsContact O-CB 3.29Å; Y150-S154 WeakPolarHBondContact O-CB 3.32Å; Y150-S154 PolarHBondContact O-N 3.04Å; Y150-S154 PolarHBondContact O-OG 3.35Å; A151-S154 PolarHBondContact O-N 3.22Å; E152-S154 VanDerWaalsContact C-N 3.33Å; E152-S154 PolarHBondContact O-N 2.9Å; S154-I157 PolarHBondContact O-N 3.41Å; S154-Q158 WeakPolarHBondContact O-CB 3.5Å; S154-Q158 PolarHBondContact O-N 3.13Å |
| 155 | K | 98.2 | Very high | 97.4 | Very high | 118 Ų | 118 | 103.5 Ų | 103.5 | 51% | 0.513 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -61.7 | -42.4 | 173.7 | -71.8 | 172.6 | -171.1 | 170 | 0 | 111.7 | A151 E152 E153 Q158 A159 | A151-K155 WeakPolarHBondContact O-CG 3.29Å; A151-K155 PolarHBondContact O-N 3.09Å; E152-K155 PolarHBondContact O-N 3.45Å; E152-K155 IonicContact OE1-NZ 3.59Å; E152-K155 PolarHBondContact OE1-NZ 3.42Å; E153-K155 VanDerWaalsContact C-N 3.33Å; E153-K155 PolarHBondContact O-N 2.77Å; K155-Q158 PolarHBondContact O-N 3.08Å; K155-A159 WeakPolarHBondContact O-CB 3.44Å; K155-A159 PolarHBondContact O-N 3.49Å |
| 156 | K | 98.2 | Very high | 97.5 | Very high | 140 Ų | 140 | 104 Ų | 104 | 61% | 0.609 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.1 | -47.9 | 177.1 | -70.3 | 174.2 | -176.5 | 175.8 | 0 | 111.7 | E152 E153 Q158 A159 Q160 | E152-K156 WeakPolarHBondContact O-CG 3.45Å; E152-K156 PolarHBondContact O-N 3.18Å; E152-K156 VanDerWaalsContact O-N 3.08Å; E153-K156 WeakPolarHBondContact O-CB 3.39Å; E153-K156 PolarHBondContact O-N 2.94Å; E153-K156 VanDerWaalsContact O-N 3.13Å; K156-Q158 VanDerWaalsContact C-N 3.29Å; K156-Q158 PolarHBondContact O-N 3.41Å; K156-A159 WeakPolarHBondContact O-CB 3.41Å; K156-A159 PolarHBondContact O-N 2.88Å; K156-Q160 WeakPolarHBondContact O-CG 3.48Å; K156-Q160 PolarHBondContact O-N 2.92Å |
| 157 | I | 98.1 | Very high | 97.6 | Very high | 93 Ų | 93 | 101.2 Ų | 101.2 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -60 | -43.2 | 176.4 | -67.7 | 169.3 | 0 | 0 | 0 | 110.2 | E153 S154 A159 Q160 L161 | E153-I157 HydrophobicContact CG-CD1 4.12Å; E153-I157 WeakPolarHBondContact O-CG1 3.38Å; E153-I157 PolarHBondContact O-N 2.93Å; S154-I157 PolarHBondContact O-N 3.41Å; I157-A159 VanDerWaalsContact C-N 3.32Å; I157-A159 PolarHBondContact O-N 3.48Å; I157-Q160 PolarHBondContact O-N 3.27Å; I157-L161 WeakPolarHBondContact O-CB 3.44Å; I157-L161 PolarHBondContact O-N 3.14Å |
| 158 | Q | 98.4 | Very high | 97.7 | Very high | 109 Ų | 109 | 104.2 Ų | 104.2 | 51% | 0.509 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.8 | -38.8 | 177.8 | -167.2 | -176.7 | 25.2 | 0 | 0 | 112.2 | S154 K155 K156 K162 | S154-Q158 WeakPolarHBondContact O-CB 3.5Å; S154-Q158 PolarHBondContact O-N 3.13Å; K155-Q158 PolarHBondContact O-N 3.08Å; K156-Q158 VanDerWaalsContact C-N 3.29Å; K156-Q158 PolarHBondContact O-N 3.41Å; Q158-K162 WeakPolarHBondContact O-CG 3.1Å; Q158-K162 PolarHBondContact O-N 3.31Å |
| 159 | A | 98.1 | Very high | 97.8 | Very high | 57 Ų | 57 | 106.7 Ų | 106.7 | 47% | 0.471 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 175 | 0 | 0 | 0 | 0 | 0 | 111.6 | K155 K156 I157 L161 K162 E163 | K155-A159 WeakPolarHBondContact O-CB 3.44Å; K155-A159 PolarHBondContact O-N 3.49Å; K156-A159 WeakPolarHBondContact O-CB 3.41Å; K156-A159 PolarHBondContact O-N 2.88Å; I157-A159 VanDerWaalsContact C-N 3.32Å; I157-A159 PolarHBondContact O-N 3.48Å; A159-L161 VanDerWaalsContact C-N 3.29Å; A159-L161 PolarHBondContact O-N 3.08Å; A159-K162 WeakPolarHBondContact O-CB 3.33Å; A159-K162 PolarHBondContact O-N 3.21Å; A159-E163 PolarHBondContact O-N 3.18Å |
| 160 | Q | 98.5 | Very high | 97.9 | Very high | 119 Ų | 119 | 107.4 Ų | 107.4 | 56% | 0.556 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.8 | -40.4 | 175.8 | -71.8 | -179.8 | -33.7 | 0 | 0 | 111.9 | K156 I157 K162 E163 L164 | K156-Q160 WeakPolarHBondContact O-CG 3.48Å; K156-Q160 PolarHBondContact O-N 2.92Å; I157-Q160 PolarHBondContact O-N 3.27Å; Q160-K162 VanDerWaalsContact C-N 3.33Å; Q160-K162 PolarHBondContact O-N 3.26Å; Q160-E163 PolarHBondContact O-N 3.46Å; Q160-L164 WeakPolarHBondContact O-CG 3.44Å; Q160-L164 PolarHBondContact O-N 3.06Å |
| 161 | L | 98.5 | Very high | 98 | Very high | 94 Ų | 94 | 106.5 Ų | 106.5 | 49% | 0.492 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -68.6 | -31.3 | 176.7 | -171.7 | 64.1 | 0 | 0 | 0 | 112.7 | I157 A159 R165 | I157-L161 WeakPolarHBondContact O-CB 3.44Å; I157-L161 PolarHBondContact O-N 3.14Å; A159-L161 VanDerWaalsContact C-N 3.29Å; A159-L161 PolarHBondContact O-N 3.08Å; L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 WeakPolarHBondContact O-CG 3.39Å; L161-R165 PolarHBondContact O-N 2.92Å; L161-R165 PolarHBondContact O-NE 3.34Å |
| 162 | K | 98.1 | Very high | 98 | Very high | 100 Ų | 100 | 109.2 Ų | 109.2 | 44% | 0.435 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.7 | -46.7 | 171.4 | -75.8 | 174.1 | -179.2 | 178.1 | 0 | 110.4 | Q158 A159 Q160 R165 Y166 | Q158-K162 WeakPolarHBondContact O-CG 3.1Å; Q158-K162 PolarHBondContact O-N 3.31Å; A159-K162 WeakPolarHBondContact O-CB 3.33Å; A159-K162 PolarHBondContact O-N 3.21Å; Q160-K162 VanDerWaalsContact C-N 3.33Å; Q160-K162 PolarHBondContact O-N 3.26Å; K162-R165 WeakPolarHBondContact O-CB 3.46Å; K162-R165 PolarHBondContact O-N 3.3Å; K162-Y166 WeakPolarHBondContact O-CD2 3.41Å; K162-Y166 PolarHBondContact O-N 2.89Å; K162-Y166 VanDerWaalsContact O-N 3.14Å |
| 163 | E | 97.6 | Very high | 98 | Very high | 143 Ų | 143 | 111 Ų | 111 | 67% | 0.668 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -58.5 | -50.5 | 177.7 | -174.5 | 179.8 | -179.2 | 0 | 0 | 111.9 | A159 Q160 R165 Y166 G167 | A159-E163 PolarHBondContact O-N 3.18Å; Q160-E163 PolarHBondContact O-N 3.46Å; E163-R165 VanDerWaalsContact C-N 3.26Å; E163-R165 PolarHBondContact O-N 2.96Å; E163-Y166 PolarHBondContact O-N 3.33Å; E163-Y166 VanDerWaalsContact O-N 3.08Å; E163-G167 PolarHBondContact O-N 3.4Å |
| 164 | L | 98.3 | Very high | 98.1 | Very high | 125 Ų | 125 | 110.9 Ų | 110.9 | 65% | 0.654 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -58.8 | -36.3 | 176.6 | -74.1 | 173.7 | 0 | 0 | 0 | 112.7 | Q160 G167 K168 | Q160-L164 WeakPolarHBondContact O-CG 3.44Å; Q160-L164 PolarHBondContact O-N 3.06Å; L164-G167 PolarHBondContact O-N 3.37Å; L164-K168 WeakPolarHBondContact O-CB 3.47Å; L164-K168 PolarHBondContact O-N 3.46Å |
| 165 | R | 97.8 | Very high | 98.1 | Very high | 133 Ų | 133 | 109.2 Ų | 109.2 | 50% | 0.502 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -65.1 | -40.3 | 176 | -83.8 | -174.6 | -72.7 | -179.4 | -4.4 | 112.2 | L161 K162 E163 K169 | L161-R165 WeakPolarHBondContact O-CB 3.47Å; L161-R165 WeakPolarHBondContact O-CG 3.39Å; L161-R165 PolarHBondContact O-N 2.92Å; L161-R165 PolarHBondContact O-NE 3.34Å; K162-R165 WeakPolarHBondContact O-CB 3.46Å; K162-R165 PolarHBondContact O-N 3.3Å; E163-R165 VanDerWaalsContact C-N 3.26Å; E163-R165 PolarHBondContact O-N 2.96Å; R165-K169 WeakPolarHBondContact O-CG 3.47Å; R165-K169 PolarHBondContact O-N 3Å |
| 166 | Y | 97.8 | Very high | 98.1 | Very high | 166 Ų | 166 | 109.4 Ų | 109.4 | 65% | 0.651 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -69.5 | -42.9 | 175.1 | -69.7 | -64.5 | 0 | 0 | 0 | 111.5 | K162 E163 K168 K169 D170 | K162-Y166 WeakPolarHBondContact O-CD2 3.41Å; K162-Y166 PolarHBondContact O-N 2.89Å; K162-Y166 VanDerWaalsContact O-N 3.14Å; E163-Y166 PolarHBondContact O-N 3.33Å; E163-Y166 VanDerWaalsContact O-N 3.08Å; Y166-K168 VanDerWaalsContact C-N 3.33Å; Y166-K168 PolarHBondContact O-N 3.03Å; Y166-K169 WeakPolarHBondContact O-CB 3.48Å; Y166-K169 PolarHBondContact O-N 3.4Å; Y166-K169 VanDerWaalsContact O-N 3.11Å; Y166-D170 PolarHBondContact O-N 3.39Å |
| 167 | G | 97.9 | Very high | 98.1 | Very high | 41 Ų | 41 | 107.3 Ų | 107.3 | 42% | 0.423 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.1 | -42.6 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | E163 L164 K169 D170 L171 | E163-G167 PolarHBondContact O-N 3.4Å; L164-G167 PolarHBondContact O-N 3.37Å; G167-K169 PolarHBondContact O-N 2.97Å; G167-D170 PolarHBondContact O-N 2.87Å; G167-L171 WeakPolarHBondContact O-CB 3.41Å; G167-L171 PolarHBondContact O-N 3Å |
| 168 | K | 98.2 | Very high | 98.1 | Very high | 144 Ų | 144 | 108.6 Ų | 108.6 | 63% | 0.626 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -59.4 | -44.6 | 173.6 | 179.3 | 179.4 | 176.9 | 178.1 | 0 | 112 | L164 Y166 L171 I172 | L164-K168 WeakPolarHBondContact O-CB 3.47Å; L164-K168 PolarHBondContact O-N 3.46Å; Y166-K168 VanDerWaalsContact C-N 3.33Å; Y166-K168 PolarHBondContact O-N 3.03Å; K168-L171 PolarHBondContact O-N 3.11Å; K168-I172 HydrophobicContact CG-CD1 3.89Å; K168-I172 VanDerWaalsContact O-CG1 3.27Å; K168-I172 WeakPolarHBondContact O-CG1 3.46Å; K168-I172 PolarHBondContact O-N 3.18Å |
| 169 | K | 98 | Very high | 98.1 | Very high | 140 Ų | 140 | 107.9 Ų | 107.9 | 61% | 0.609 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -62.1 | -44.9 | 178.7 | -74.3 | 177.4 | 179 | -174.5 | 0 | 111.7 | R165 Y166 G167 I172 F173 | R165-K169 WeakPolarHBondContact O-CG 3.47Å; R165-K169 PolarHBondContact O-N 3Å; Y166-K169 WeakPolarHBondContact O-CB 3.48Å; Y166-K169 PolarHBondContact O-N 3.4Å; Y166-K169 VanDerWaalsContact O-N 3.11Å; G167-K169 PolarHBondContact O-N 2.97Å; K169-I172 PolarHBondContact O-N 2.9Å; K169-F173 PolarHBondContact O-N 3.45Å |
| 170 | D | 98 | Very high | 98.1 | Very high | 73 Ų | 73 | 108.6 Ų | 108.6 | 39% | 0.39 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -61.2 | -44.5 | 176.5 | 178.1 | 65 | 0 | 0 | 0 | 111.7 | Y166 G167 I172 F173 K174 | Y166-D170 PolarHBondContact O-N 3.39Å; G167-D170 PolarHBondContact O-N 2.87Å; D170-I172 PolarHBondContact O-N 2.71Å; D170-F173 WeakPolarHBondContact O-CB 3.27Å; D170-F173 PolarHBondContact O-N 3.38Å; D170-K174 PolarHBondContact O-N 3.25Å; D170-K174 WeakPolarHBondContact OD1-CE 3.37Å; D170-K174 IonicContact OD1-NZ 3.92Å; D170-K174 VanDerWaalsContact OD2-CE 3.24Å; D170-K174 WeakPolarHBondContact OD2-CE 3.24Å; D170-K174 IonicContact OD2-NZ 2.74Å; D170-K174 PolarHBondContact OD2-NZ 3.15Å |
| 171 | L | 98 | Very high | 98.1 | Very high | 123 Ų | 123 | 107.9 Ų | 107.9 | 64% | 0.644 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65 | -39.6 | 179.6 | -169.3 | 63.5 | 0 | 0 | 0 | 112.3 | G167 K168 F173 K174 G175 | G167-L171 WeakPolarHBondContact O-CB 3.41Å; G167-L171 PolarHBondContact O-N 3Å; K168-L171 PolarHBondContact O-N 3.11Å; L171-F173 VanDerWaalsContact C-N 3.34Å; L171-K174 PolarHBondContact O-N 3.48Å; L171-G175 PolarHBondContact O-N 3.48Å |
| 172 | I | 97.9 | Very high | 98.1 | Very high | 104 Ų | 104 | 109.3 Ų | 109.3 | 53% | 0.533 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.1 | -45 | 173.3 | -70.1 | 166.8 | 0 | 0 | 0 | 110.3 | K168 K169 D170 K174 G175 Q176 | K168-I172 HydrophobicContact CG-CD1 3.89Å; K168-I172 VanDerWaalsContact O-CG1 3.27Å; K168-I172 WeakPolarHBondContact O-CG1 3.46Å; K168-I172 PolarHBondContact O-N 3.18Å; K169-I172 PolarHBondContact O-N 2.9Å; D170-I172 PolarHBondContact O-N 2.71Å; I172-K174 PolarHBondContact O-N 2.94Å; I172-G175 PolarHBondContact O-N 3.46Å; I172-Q176 PolarHBondContact O-N 3.24Å |
| 173 | F | 98.3 | Very high | 98.1 | Very high | 130 Ų | 130 | 110.1 Ų | 110.1 | 57% | 0.57 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -62.3 | -42.6 | 178.5 | -180 | -104.8 | 0 | 0 | 0 | 112.3 | K169 D170 L171 Q176 Q177 | K169-F173 PolarHBondContact O-N 3.45Å; D170-F173 WeakPolarHBondContact O-CB 3.27Å; D170-F173 PolarHBondContact O-N 3.38Å; L171-F173 VanDerWaalsContact C-N 3.34Å; F173-Q176 PolarHBondContact O-N 2.85Å; F173-Q177 VanDerWaalsContact CD1-NE2 3.27Å; F173-Q177 HydrophobicContact CE1-CG 4.48Å; F173-Q177 PolarHBondContact O-N 3.18Å; F173-Q177 VanDerWaalsContact O-N 3.15Å |
| 174 | K | 98.1 | Very high | 98.1 | Very high | 104 Ų | 104 | 108.8 Ų | 108.8 | 45% | 0.452 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -39.8 | 174 | -73.3 | 172.7 | 177.7 | 164 | 0 | 112.4 | D170 L171 I172 Q176 Q177 L178 | D170-K174 PolarHBondContact O-N 3.25Å; D170-K174 WeakPolarHBondContact OD1-CE 3.37Å; D170-K174 IonicContact OD1-NZ 3.92Å; D170-K174 VanDerWaalsContact OD2-CE 3.24Å; D170-K174 WeakPolarHBondContact OD2-CE 3.24Å; D170-K174 IonicContact OD2-NZ 2.74Å; D170-K174 PolarHBondContact OD2-NZ 3.15Å; L171-K174 PolarHBondContact O-N 3.48Å; I172-K174 PolarHBondContact O-N 2.94Å; K174-Q176 VanDerWaalsContact C-N 3.32Å; K174-Q176 PolarHBondContact O-N 3.41Å; K174-Q177 PolarHBondContact O-N 3.45Å; K174-L178 PolarHBondContact O-N 3.43Å |
| 175 | G | 98.3 | Very high | 98.1 | Very high | 37 Ų | 37 | 108.5 Ų | 108.5 | 38% | 0.381 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.5 | -42 | 174 | 0 | 0 | 0 | 0 | 0 | 112.2 | L171 I172 Q177 L178 L179 | L171-G175 PolarHBondContact O-N 3.48Å; I172-G175 PolarHBondContact O-N 3.46Å; G175-Q177 PolarHBondContact O-N 3.35Å; G175-L178 PolarHBondContact O-N 2.68Å; G175-L179 PolarHBondContact O-N 3Å |
| 176 | Q | 98 | Very high | 98.1 | Very high | 122 Ų | 122 | 105 Ų | 105 | 57% | 0.57 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -63.8 | -39.6 | 175.8 | -171.1 | 62.1 | 49.8 | 0 | 0 | 112.5 | I172 F173 K174 L179 D180 | I172-Q176 PolarHBondContact O-N 3.24Å; F173-Q176 PolarHBondContact O-N 2.85Å; K174-Q176 VanDerWaalsContact C-N 3.32Å; K174-Q176 PolarHBondContact O-N 3.41Å; Q176-L179 PolarHBondContact O-N 2.9Å; Q176-D180 PolarHBondContact O-N 3.33Å; Q176-D180 VanDerWaalsContact O-N 3.09Å |
| 177 | Q | 98.3 | Very high | 98.1 | Very high | 97 Ų | 97 | 100.8 Ų | 100.8 | 45% | 0.453 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.4 | -41.5 | 175.1 | -72.9 | 176.6 | 89.6 | 0 | 0 | 112.2 | F173 K174 G175 L179 D180 L181 | F173-Q177 VanDerWaalsContact CD1-NE2 3.27Å; F173-Q177 HydrophobicContact CE1-CG 4.48Å; F173-Q177 PolarHBondContact O-N 3.18Å; F173-Q177 VanDerWaalsContact O-N 3.15Å; K174-Q177 PolarHBondContact O-N 3.45Å; G175-Q177 PolarHBondContact O-N 3.35Å; Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.42Å; Q177-D180 PolarHBondContact O-N 3.41Å; Q177-L181 WeakPolarHBondContact O-CG 3.39Å; Q177-L181 PolarHBondContact O-N 3.48Å |
| 178 | L | 98.3 | Very high | 98.1 | Very high | 119 Ų | 119 | 101.6 Ų | 101.6 | 62% | 0.623 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -62.4 | -40.5 | 175.7 | -76.5 | 172.2 | 0 | 0 | 0 | 111.7 | K174 G175 L181 E182 | K174-L178 PolarHBondContact O-N 3.43Å; G175-L178 PolarHBondContact O-N 2.68Å; L178-L181 PolarHBondContact O-N 2.99Å; L178-E182 WeakPolarHBondContact O-CB 3.4Å; L178-E182 PolarHBondContact O-N 3.31Å |
| 179 | L | 98.1 | Very high | 98 | Very high | 94 Ų | 94 | 101 Ų | 101 | 49% | 0.492 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.6 | -42.4 | 176.2 | -174.2 | 69.1 | 0 | 0 | 0 | 112.1 | G175 Q176 Q177 L181 E182 H183 | G175-L179 PolarHBondContact O-N 3Å; Q176-L179 PolarHBondContact O-N 2.9Å; Q177-L179 VanDerWaalsContact C-N 3.31Å; Q177-L179 PolarHBondContact O-N 3.42Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L179-E182 PolarHBondContact O-N 3.09Å; L179-H183 PolarHBondContact O-N 3Å |
| 180 | D | 98.1 | Very high | 98 | Very high | 72 Ų | 72 | 100 Ų | 100 | 39% | 0.385 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.9 | -41 | 175.5 | 179.7 | 60.8 | 0 | 0 | 0 | 111.9 | Q176 Q177 H183 K184 | Q176-D180 PolarHBondContact O-N 3.33Å; Q176-D180 VanDerWaalsContact O-N 3.09Å; Q177-D180 PolarHBondContact O-N 3.41Å; D180-H183 PolarHBondContact O-N 3.29Å; D180-K184 WeakPolarHBondContact O-CG 3.4Å; D180-K184 PolarHBondContact O-N 3.03Å; D180-K184 IonicContact OD1-NZ 2.63Å; D180-K184 WeakPolarHBondContact OD2-CE 3.42Å; D180-K184 IonicContact OD2-NZ 3.93Å; D180-K184 PolarHBondContact OD2-NZ 2.79Å |
| 181 | L | 98.3 | Very high | 97.9 | Very high | 104 Ų | 104 | 102.8 Ų | 102.8 | 55% | 0.545 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.8 | -41 | 174.9 | -70.7 | 175.6 | 0 | 0 | 0 | 112.3 | Q177 L178 L179 H183 K184 L185 | Q177-L181 WeakPolarHBondContact O-CG 3.39Å; Q177-L181 PolarHBondContact O-N 3.48Å; L178-L181 PolarHBondContact O-N 2.99Å; L179-L181 VanDerWaalsContact C-N 3.35Å; L181-H183 VanDerWaalsContact C-N 3.33Å; L181-H183 PolarHBondContact O-N 3.44Å; L181-K184 PolarHBondContact O-N 2.98Å; L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 PolarHBondContact O-N 2.92Å |
| 182 | E | 97.9 | Very high | 97.9 | Very high | 125 Ų | 125 | 102.9 Ų | 102.9 | 58% | 0.584 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.5 | -41.8 | 175.7 | -176.2 | 175.7 | -165.9 | 0 | 0 | 111.5 | L178 L179 L185 T186 | L178-E182 WeakPolarHBondContact O-CB 3.4Å; L178-E182 PolarHBondContact O-N 3.31Å; L179-E182 PolarHBondContact O-N 3.09Å; E182-L185 PolarHBondContact O-N 2.97Å; E182-T186 WeakPolarHBondContact O-CB 3.46Å; E182-T186 PolarHBondContact O-N 3.29Å; E182-T186 PolarHBondContact O-OG1 3.14Å |
| 183 | H | 98.3 | Very high | 97.8 | Very high | 117 Ų | 117 | 103.3 Ų | 103.3 | 54% | 0.542 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.7 | -45.9 | 175.2 | -174.7 | 55.9 | 0 | 0 | 0 | 111.8 | L179 D180 L181 L185 T186 I187 | L179-H183 PolarHBondContact O-N 3Å; D180-H183 PolarHBondContact O-N 3.29Å; L181-H183 VanDerWaalsContact C-N 3.33Å; L181-H183 PolarHBondContact O-N 3.44Å; H183-L185 VanDerWaalsContact C-N 3.34Å; H183-L185 PolarHBondContact O-N 3.33Å; H183-T186 WeakPolarHBondContact O-CB 3.44Å; H183-T186 PolarHBondContact O-N 3.18Å; H183-I187 WeakPolarHBondContact O-CG1 3.35Å; H183-I187 PolarHBondContact O-N 3.43Å |
| 184 | K | 98 | Very high | 97.7 | Very high | 115 Ų | 115 | 104.8 Ų | 104.8 | 50% | 0.5 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.7 | -42 | 175.5 | -76.1 | 168.8 | 177.6 | 162.7 | 0 | 112.5 | D180 L181 T186 I187 A188 | D180-K184 WeakPolarHBondContact O-CG 3.4Å; D180-K184 PolarHBondContact O-N 3.03Å; D180-K184 IonicContact OD1-NZ 2.63Å; D180-K184 WeakPolarHBondContact OD2-CE 3.42Å; D180-K184 IonicContact OD2-NZ 3.93Å; D180-K184 PolarHBondContact OD2-NZ 2.79Å; L181-K184 PolarHBondContact O-N 2.98Å; K184-T186 VanDerWaalsContact C-N 3.35Å; K184-I187 PolarHBondContact O-N 3.5Å; K184-A188 WeakPolarHBondContact O-CB 3.46Å; K184-A188 PolarHBondContact O-N 2.97Å |
| 185 | L | 98 | Very high | 97.6 | Very high | 119 Ų | 119 | 103.1 Ų | 103.1 | 62% | 0.623 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -63.7 | -42.9 | 176.1 | -166.4 | 166.1 | 0 | 0 | 0 | 110.7 | L181 E182 H183 I187 A188 K189 | L181-L185 WeakPolarHBondContact O-CB 3.33Å; L181-L185 PolarHBondContact O-N 2.92Å; E182-L185 PolarHBondContact O-N 2.97Å; H183-L185 VanDerWaalsContact C-N 3.34Å; H183-L185 PolarHBondContact O-N 3.33Å; L185-I187 PolarHBondContact O-N 2.89Å; L185-A188 PolarHBondContact O-N 3.33Å; L185-K189 WeakPolarHBondContact O-CB 3.44Å; L185-K189 PolarHBondContact O-N 3.48Å |
| 186 | T | 97.8 | Very high | 97.4 | Very high | 58 Ų | 58 | 104 Ų | 104 | 36% | 0.356 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -59.3 | -47.4 | 176.9 | -56.1 | 0 | 0 | 0 | 0 | 111.5 | E182 H183 K184 A188 K189 E190 | E182-T186 WeakPolarHBondContact O-CB 3.46Å; E182-T186 PolarHBondContact O-N 3.29Å; E182-T186 PolarHBondContact O-OG1 3.14Å; H183-T186 WeakPolarHBondContact O-CB 3.44Å; H183-T186 PolarHBondContact O-N 3.18Å; K184-T186 VanDerWaalsContact C-N 3.35Å; T186-A188 PolarHBondContact O-N 2.87Å; T186-K189 WeakPolarHBondContact O-CB 3.45Å; T186-K189 PolarHBondContact O-N 3.39Å; T186-E190 WeakPolarHBondContact O-CG 3.48Å; T186-E190 PolarHBondContact O-N 3.34Å |
| 187 | I | 97.8 | Very high | 97.3 | Very high | 79 Ų | 79 | 103 Ų | 103 | 41% | 0.405 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -59.7 | -48.4 | 175.7 | -66.7 | 166.5 | 0 | 0 | 0 | 111.1 | H183 K184 L185 K189 E190 E191 | H183-I187 WeakPolarHBondContact O-CG1 3.35Å; H183-I187 PolarHBondContact O-N 3.43Å; K184-I187 PolarHBondContact O-N 3.5Å; L185-I187 PolarHBondContact O-N 2.89Å; I187-K189 PolarHBondContact O-N 2.87Å; I187-E190 PolarHBondContact O-N 3.28Å; I187-E191 WeakPolarHBondContact O-CB 3.47Å; I187-E191 PolarHBondContact O-N 3.35Å |
| 188 | A | 97.8 | Very high | 97.1 | Very high | 57 Ų | 57 | 102.3 Ų | 102.3 | 47% | 0.471 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -61.6 | -34.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | K184 L185 T186 L192 | K184-A188 WeakPolarHBondContact O-CB 3.46Å; K184-A188 PolarHBondContact O-N 2.97Å; L185-A188 PolarHBondContact O-N 3.33Å; T186-A188 PolarHBondContact O-N 2.87Å; A188-L192 WeakPolarHBondContact O-CB 3.47Å; A188-L192 PolarHBondContact O-N 2.92Å |
| 189 | K | 97.8 | Very high | 97 | Very high | 133 Ų | 133 | 102.5 Ų | 102.5 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67 | -47.5 | 174.7 | -176.3 | -172.6 | 173.4 | -167.7 | 0 | 111.4 | L185 T186 I187 E191 L192 E193 | L185-K189 WeakPolarHBondContact O-CB 3.44Å; L185-K189 PolarHBondContact O-N 3.48Å; T186-K189 WeakPolarHBondContact O-CB 3.45Å; T186-K189 PolarHBondContact O-N 3.39Å; I187-K189 PolarHBondContact O-N 2.87Å; K189-E191 VanDerWaalsContact C-N 3.31Å; K189-E191 PolarHBondContact O-N 3.2Å; K189-L192 PolarHBondContact O-N 3.5Å; K189-E193 WeakPolarHBondContact O-CB 3.48Å; K189-E193 PolarHBondContact O-N 2.97Å |
| 190 | E | 97.1 | Very high | 96.8 | Very high | 119 Ų | 119 | 104.4 Ų | 104.4 | 56% | 0.556 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -60.8 | -40.6 | 176.9 | -72.3 | 174.6 | -172.8 | 0 | 0 | 111.7 | T186 I187 E193 K194 | T186-E190 WeakPolarHBondContact O-CG 3.48Å; T186-E190 PolarHBondContact O-N 3.34Å; I187-E190 PolarHBondContact O-N 3.28Å; E190-E193 PolarHBondContact O-N 3.22Å; E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 PolarHBondContact O-N 3.3Å |
| 191 | E | 96.8 | Very high | 96.6 | Very high | 130 Ų | 130 | 104.6 Ų | 104.6 | 61% | 0.607 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -65.8 | -41.4 | 176.4 | -173.2 | 173.5 | -168 | 0 | 0 | 112.3 | I187 K189 K194 T195 | I187-E191 WeakPolarHBondContact O-CB 3.47Å; I187-E191 PolarHBondContact O-N 3.35Å; K189-E191 VanDerWaalsContact C-N 3.31Å; K189-E191 PolarHBondContact O-N 3.2Å; E191-K194 PolarHBondContact O-N 3.3Å; E191-T195 WeakPolarHBondContact O-CB 3.42Å; E191-T195 PolarHBondContact O-N 3.24Å; E191-T195 PolarHBondContact O-OG1 2.97Å |
| 192 | L | 96.6 | Very high | 96.5 | Very high | 125 Ų | 125 | 104 Ų | 104 | 65% | 0.654 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -63.6 | -43.3 | 174.4 | -178.9 | 64.6 | 0 | 0 | 0 | 111.6 | A188 K189 T195 A196 | A188-L192 WeakPolarHBondContact O-CB 3.47Å; A188-L192 PolarHBondContact O-N 2.92Å; K189-L192 PolarHBondContact O-N 3.5Å; L192-T195 PolarHBondContact O-N 3.15Å; L192-A196 WeakPolarHBondContact O-CB 3.44Å; L192-A196 PolarHBondContact O-N 3.43Å |
| 193 | E | 96.4 | Very high | 96.3 | Very high | 114 Ų | 114 | 103.7 Ų | 103.7 | 53% | 0.533 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 177.3 | -175.1 | 169.9 | -177.4 | 0 | 0 | 111.4 | K189 E190 T195 A196 L197 | K189-E193 WeakPolarHBondContact O-CB 3.48Å; K189-E193 PolarHBondContact O-N 2.97Å; E190-E193 PolarHBondContact O-N 3.22Å; E193-T195 VanDerWaalsContact C-N 3.33Å; E193-T195 PolarHBondContact O-N 2.84Å; E193-A196 WeakPolarHBondContact O-CB 3.34Å; E193-A196 PolarHBondContact O-N 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.38Å; E193-L197 PolarHBondContact O-N 2.91Å |
| 194 | K | 95.9 | Very high | 96.2 | Very high | 160 Ų | 160 | 104.6 Ų | 104.6 | 70% | 0.696 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60 | -42.9 | 173.7 | -174.8 | -178.6 | 178.6 | -175.9 | 0 | 112.2 | E190 E191 A196 L197 D198 | E190-K194 WeakPolarHBondContact O-CB 3.47Å; E190-K194 PolarHBondContact O-N 3.3Å; E191-K194 PolarHBondContact O-N 3.3Å; K194-A196 VanDerWaalsContact C-N 3.35Å; K194-L197 PolarHBondContact O-N 2.87Å; K194-D198 PolarHBondContact O-N 3Å |
| 195 | T | 95.8 | Very high | 96 | Very high | 69 Ų | 69 | 101.7 Ų | 101.7 | 42% | 0.423 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.7 | -39 | 177.3 | -56.6 | 0 | 0 | 0 | 0 | 111.4 | E191 L192 E193 D198 K199 | E191-T195 WeakPolarHBondContact O-CB 3.42Å; E191-T195 PolarHBondContact O-N 3.24Å; E191-T195 PolarHBondContact O-OG1 2.97Å; L192-T195 PolarHBondContact O-N 3.15Å; E193-T195 VanDerWaalsContact C-N 3.33Å; E193-T195 PolarHBondContact O-N 2.84Å; T195-D198 PolarHBondContact O-N 3.3Å; T195-K199 VanDerWaalsContact O-CG 3.32Å; T195-K199 WeakPolarHBondContact O-CG 3.44Å; T195-K199 PolarHBondContact O-N 3.46Å |
| 196 | A | 95.2 | Very high | 95.9 | Very high | 56 Ų | 56 | 101 Ų | 101 | 46% | 0.463 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -63.4 | -43.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.6 | L192 E193 K194 K199 E200 | L192-A196 WeakPolarHBondContact O-CB 3.44Å; L192-A196 PolarHBondContact O-N 3.43Å; E193-A196 WeakPolarHBondContact O-CB 3.34Å; E193-A196 PolarHBondContact O-N 3.28Å; K194-A196 VanDerWaalsContact C-N 3.35Å; A196-K199 PolarHBondContact O-N 2.93Å; A196-E200 WeakPolarHBondContact O-CB 3.43Å; A196-E200 PolarHBondContact O-N 3.4Å |
| 197 | L | 94.6 | Very high | 95.8 | Very high | 101 Ų | 101 | 105.5 Ų | 105.5 | 53% | 0.529 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -63.6 | -39.9 | 175.6 | -70.9 | 172.9 | 0 | 0 | 0 | 112.6 | E193 K194 E200 S201 | E193-L197 WeakPolarHBondContact O-CG 3.38Å; E193-L197 PolarHBondContact O-N 2.91Å; K194-L197 PolarHBondContact O-N 2.87Å; L197-E200 PolarHBondContact O-N 3.12Å; L197-S201 WeakPolarHBondContact O-CB 3.32Å; L197-S201 PolarHBondContact O-N 3.28Å |
| 198 | D | 94.9 | Very high | 95.6 | Very high | 83 Ų | 83 | 105.4 Ų | 105.4 | 44% | 0.444 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -60.8 | -44.8 | 173.5 | 177 | 62.4 | 0 | 0 | 0 | 111.5 | K194 T195 S201 Q202 | K194-D198 PolarHBondContact O-N 3Å; T195-D198 PolarHBondContact O-N 3.3Å; D198-S201 WeakPolarHBondContact O-CB 3.4Å; D198-S201 PolarHBondContact O-N 3.46Å; D198-Q202 WeakPolarHBondContact O-CG 3.5Å; D198-Q202 PolarHBondContact O-N 2.78Å; D198-Q202 PolarHBondContact OD1-NE2 3.46Å; D198-Q202 PolarHBondContact OD2-NE2 2.88Å |
| 199 | K | 95.6 | Very high | 95.5 | Very high | 123 Ų | 123 | 106.4 Ų | 106.4 | 54% | 0.535 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -63.9 | -40.1 | 175.6 | -70.5 | -70.5 | 171.8 | -162.7 | 0 | 112.8 | T195 A196 Q202 L203 | T195-K199 VanDerWaalsContact O-CG 3.32Å; T195-K199 WeakPolarHBondContact O-CG 3.44Å; T195-K199 PolarHBondContact O-N 3.46Å; A196-K199 PolarHBondContact O-N 2.93Å; K199-Q202 PolarHBondContact O-N 3.27Å; K199-L203 WeakPolarHBondContact O-CB 3.48Å; K199-L203 PolarHBondContact O-N 3.38Å |
| 200 | E | 94.2 | Very high | 95.3 | Very high | 133 Ų | 133 | 104 Ų | 104 | 62% | 0.621 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.1 | -40.8 | 175.6 | -174.6 | 165.4 | -162.1 | 0 | 0 | 111.5 | A196 L197 L203 K204 | A196-E200 WeakPolarHBondContact O-CB 3.43Å; A196-E200 PolarHBondContact O-N 3.4Å; L197-E200 PolarHBondContact O-N 3.12Å; E200-L203 PolarHBondContact O-N 2.93Å; E200-K204 WeakPolarHBondContact O-CB 3.46Å; E200-K204 PolarHBondContact O-N 2.86Å |
| 201 | S | 94.2 | Very high | 95.1 | Very high | 77 Ų | 77 | 104.2 Ų | 104.2 | 54% | 0.538 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 173.6 | -170.6 | 0 | 0 | 0 | 0 | 112.2 | L197 D198 L203 K204 A205 | L197-S201 WeakPolarHBondContact O-CB 3.32Å; L197-S201 PolarHBondContact O-N 3.28Å; D198-S201 WeakPolarHBondContact O-CB 3.4Å; D198-S201 PolarHBondContact O-N 3.46Å; S201-L203 PolarHBondContact O-N 3.23Å; S201-K204 PolarHBondContact O-N 3.31Å; S201-A205 PolarHBondContact O-N 3.33Å |
| 202 | Q | 95.2 | Very high | 94.9 | Very high | 91 Ų | 91 | 103.4 Ų | 103.4 | 43% | 0.425 | 54% | 0.537 | S | S | . | . | H | α-helix | trans | -59.3 | -45.8 | 173.9 | -75 | 168.5 | 18.1 | 0 | 0 | 111.7 | D198 K199 K204 A205 L206 | D198-Q202 WeakPolarHBondContact O-CG 3.5Å; D198-Q202 PolarHBondContact O-N 2.78Å; D198-Q202 PolarHBondContact OD1-NE2 3.46Å; D198-Q202 PolarHBondContact OD2-NE2 2.88Å; K199-Q202 PolarHBondContact O-N 3.27Å; Q202-K204 VanDerWaalsContact C-N 3.34Å; Q202-K204 PolarHBondContact O-N 3.01Å; Q202-A205 PolarHBondContact O-N 3.41Å; Q202-L206 PolarHBondContact O-N 2.98Å |
| 203 | L | 95.2 | Very high | 94.7 | Very high | 118 Ų | 118 | 101 Ų | 101 | 62% | 0.618 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -64.3 | -39.5 | 178.6 | -176.9 | 63.1 | 0 | 0 | 0 | 111.7 | K199 E200 S201 L206 K207 | K199-L203 WeakPolarHBondContact O-CB 3.48Å; K199-L203 PolarHBondContact O-N 3.38Å; E200-L203 PolarHBondContact O-N 2.93Å; S201-L203 PolarHBondContact O-N 3.23Å; L203-L206 PolarHBondContact O-N 3.48Å; L203-K207 WeakPolarHBondContact O-CB 3.37Å; L203-K207 PolarHBondContact O-N 2.9Å |
| 204 | K | 95.1 | Very high | 94.4 | Very high | 136 Ų | 136 | 102 Ų | 102 | 59% | 0.591 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -63.5 | -48.3 | 175.3 | -176 | 176.1 | 178.6 | -176.6 | 0 | 111.6 | E200 S201 Q202 L206 K207 D208 | E200-K204 WeakPolarHBondContact O-CB 3.46Å; E200-K204 PolarHBondContact O-N 2.86Å; S201-K204 PolarHBondContact O-N 3.31Å; Q202-K204 VanDerWaalsContact C-N 3.34Å; Q202-K204 PolarHBondContact O-N 3.01Å; K204-L206 VanDerWaalsContact C-N 3.27Å; K204-L206 PolarHBondContact O-N 3Å; K204-K207 WeakPolarHBondContact O-CB 3.39Å; K204-K207 PolarHBondContact O-N 3.49Å; K204-K207 VanDerWaalsContact O-N 3.14Å; K204-D208 PolarHBondContact O-N 2.93Å |
| 205 | A | 94.5 | Very high | 94 | Very high | 54 Ų | 54 | 96.2 Ų | 96.2 | 45% | 0.446 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -58.3 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | S201 Q202 T209 | S201-A205 PolarHBondContact O-N 3.33Å; Q202-A205 PolarHBondContact O-N 3.41Å; A205-T209 WeakPolarHBondContact O-CB 3.43Å; A205-T209 PolarHBondContact O-N 3.4Å; A205-T209 PolarHBondContact O-OG1 2.79Å |
| 206 | L | 95.3 | Very high | 93.4 | Very high | 104 Ų | 104 | 95.5 Ų | 95.5 | 55% | 0.545 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.7 | -46.8 | 174.2 | -179.2 | 63.1 | 0 | 0 | 0 | 111.7 | Q202 L203 K204 D208 T209 V210 | Q202-L206 PolarHBondContact O-N 2.98Å; L203-L206 PolarHBondContact O-N 3.48Å; K204-L206 VanDerWaalsContact C-N 3.27Å; K204-L206 PolarHBondContact O-N 3Å; L206-D208 VanDerWaalsContact C-N 3.32Å; L206-D208 PolarHBondContact O-N 3.4Å; L206-T209 PolarHBondContact O-N 2.9Å; L206-V210 HydrophobicContact CD1-CG2 4.38Å; L206-V210 VanDerWaalsContact O-CG2 3.32Å; L206-V210 WeakPolarHBondContact O-CG2 3.43Å; L206-V210 PolarHBondContact O-N 3.41Å |
| 207 | K | 95.3 | Very high | 92.9 | Very high | 154 Ų | 154 | 98 Ų | 98 | 67% | 0.67 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -58.7 | -43.8 | 177.1 | -176.1 | -174 | 174.8 | -173.2 | 0 | 111.5 | L203 K204 V210 H211 | L203-K207 WeakPolarHBondContact O-CB 3.37Å; L203-K207 PolarHBondContact O-N 2.9Å; K204-K207 WeakPolarHBondContact O-CB 3.39Å; K204-K207 PolarHBondContact O-N 3.49Å; K204-K207 VanDerWaalsContact O-N 3.14Å; K207-V210 PolarHBondContact O-N 3.34Å; K207-H211 WeakPolarHBondContact O-CB 3.48Å; K207-H211 PolarHBondContact O-N 2.95Å |
| 208 | D | 95.1 | Very high | 91.9 | Very high | 76 Ų | 76 | 98.5 Ų | 98.5 | 41% | 0.406 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -66.1 | -41.4 | 178.3 | -68.2 | -16.7 | 0 | 0 | 0 | 111 | K204 L206 H211 I212 | K204-D208 PolarHBondContact O-N 2.93Å; L206-D208 VanDerWaalsContact C-N 3.32Å; L206-D208 PolarHBondContact O-N 3.4Å; D208-H211 WeakPolarHBondContact O-CB 3.39Å; D208-H211 PolarHBondContact O-N 2.92Å; D208-I212 VanDerWaalsContact O-CG1 3.29Å; D208-I212 WeakPolarHBondContact O-CG1 3.48Å; D208-I212 PolarHBondContact O-N 3.3Å |
| 209 | T | 94 | Very high | 90.3 | Very high | 79 Ų | 79 | 102.1 Ų | 102.1 | 49% | 0.485 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.8 | -47.5 | 174.4 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | A205 L206 H211 I212 C213 | A205-T209 WeakPolarHBondContact O-CB 3.43Å; A205-T209 PolarHBondContact O-N 3.4Å; A205-T209 PolarHBondContact O-OG1 2.79Å; L206-T209 PolarHBondContact O-N 2.9Å; T209-H211 VanDerWaalsContact C-N 3.28Å; T209-H211 PolarHBondContact O-N 2.88Å; T209-I212 PolarHBondContact O-N 3.36Å; T209-C213 WeakPolarHBondContact O-CB 3.49Å; T209-C213 PolarHBondContact O-N 3.21Å; T209-C213 PolarHBondContact O-SG 3.49Å |
| 210 | V | 94.9 | Very high | 88.3 | Confident | 81 Ų | 81 | 102.9 Ų | 102.9 | 49% | 0.491 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -58 | -44.3 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 110.2 | L206 K207 C213 F214 | L206-V210 HydrophobicContact CD1-CG2 4.38Å; L206-V210 VanDerWaalsContact O-CG2 3.32Å; L206-V210 WeakPolarHBondContact O-CG2 3.43Å; L206-V210 PolarHBondContact O-N 3.41Å; K207-V210 PolarHBondContact O-N 3.34Å; V210-C213 PolarHBondContact O-N 2.94Å; V210-F214 WeakPolarHBondContact O-CB 3.32Å; V210-F214 PolarHBondContact O-N 3.3Å |
| 211 | H | 93.1 | Very high | 86.3 | Confident | 124 Ų | 124 | 103.5 Ų | 103.5 | 57% | 0.574 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -62.5 | -43.9 | 177.9 | -176.4 | 62.4 | 0 | 0 | 0 | 112.8 | K207 D208 T209 F214 S215 | K207-H211 WeakPolarHBondContact O-CB 3.48Å; K207-H211 PolarHBondContact O-N 2.95Å; D208-H211 WeakPolarHBondContact O-CB 3.39Å; D208-H211 PolarHBondContact O-N 2.92Å; T209-H211 VanDerWaalsContact C-N 3.28Å; T209-H211 PolarHBondContact O-N 2.88Å; H211-F214 PolarHBondContact O-N 3.14Å; H211-S215 VanDerWaalsContact O-CB 3.28Å; H211-S215 WeakPolarHBondContact O-CB 3.44Å; H211-S215 PolarHBondContact O-N 3.4Å; H211-S215 PolarHBondContact O-OG 3.3Å |
| 212 | I | 92.5 | Very high | 83.9 | Confident | 113 Ų | 113 | 105.2 Ų | 105.2 | 58% | 0.579 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -61.2 | -49.1 | 175.8 | -69.4 | 164.2 | 0 | 0 | 0 | 110.4 | D208 T209 F214 S215 A216 | D208-I212 VanDerWaalsContact O-CG1 3.29Å; D208-I212 WeakPolarHBondContact O-CG1 3.48Å; D208-I212 PolarHBondContact O-N 3.3Å; T209-I212 PolarHBondContact O-N 3.36Å; I212-F214 PolarHBondContact O-N 2.88Å; I212-S215 PolarHBondContact O-N 3.26Å; I212-A216 WeakPolarHBondContact O-CB 3.41Å; I212-A216 PolarHBondContact O-N 2.9Å |
| 213 | C | 90.9 | Very high | 81.4 | Confident | 74 Ų | 74 | 106.8 Ų | 106.8 | 50% | 0.5 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -59.4 | -45.9 | 178.4 | -70.1 | 0 | 0 | 0 | 0 | 111.9 | T209 V210 A216 V217 | T209-C213 WeakPolarHBondContact O-CB 3.49Å; T209-C213 PolarHBondContact O-N 3.21Å; T209-C213 PolarHBondContact O-SG 3.49Å; V210-C213 PolarHBondContact O-N 2.94Å; C213-A216 PolarHBondContact O-N 3.3Å; C213-V217 WeakPolarHBondContact O-CG2 3.4Å; C213-V217 PolarHBondContact O-N 3.35Å; C213-V217 VanDerWaalsContact O-N 3.09Å |
| 214 | F | 90.1 | Very high | 78.9 | Confident | 137 Ų | 137 | 106.7 Ų | 106.7 | 60% | 0.601 | 59% | 0.591 | S | S | * | * | H | α-helix | trans | -65.5 | -43.3 | 180 | -140.8 | -99.2 | 0 | 0 | 0 | 111.7 | V210 H211 I212 A216 V217 L218 | V210-F214 WeakPolarHBondContact O-CB 3.32Å; V210-F214 PolarHBondContact O-N 3.3Å; H211-F214 PolarHBondContact O-N 3.14Å; I212-F214 PolarHBondContact O-N 2.88Å; F214-A216 PolarHBondContact O-N 2.87Å; F214-V217 PolarHBondContact O-N 2.92Å; F214-L218 HydrophobicContact CD1-CD1 3.62Å; F214-L218 HydrophobicContact CD1-CG 4.3Å; F214-L218 HydrophobicContact CE1-CD1 3.87Å; F214-L218 WeakPolarHBondContact O-CG 3.37Å; F214-L218 PolarHBondContact O-N 3.26Å |
| 215 | S | 88.6 | Confident | 76.4 | Confident | 38 Ų | 38 | 105.2 Ų | 105.2 | 27% | 0.266 | 60% | 0.598 | S | S | . | * | H | α-helix | trans | -62.9 | -40.1 | 175.9 | -65.9 | 0 | 0 | 0 | 0 | 112.2 | H211 I212 L218 H219 | H211-S215 VanDerWaalsContact O-CB 3.28Å; H211-S215 WeakPolarHBondContact O-CB 3.44Å; H211-S215 PolarHBondContact O-N 3.4Å; H211-S215 PolarHBondContact O-OG 3.3Å; I212-S215 PolarHBondContact O-N 3.26Å; S215-L218 PolarHBondContact O-N 2.91Å; S215-H219 WeakPolarHBondContact O-CB 3.29Å; S215-H219 PolarHBondContact O-N 3.43Å |
| 216 | A | 84.1 | Confident | 73.9 | Confident | 53 Ų | 53 | 110.5 Ų | 110.5 | 44% | 0.438 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -65.3 | -38.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | I212 C213 F214 N220 | I212-A216 WeakPolarHBondContact O-CB 3.41Å; I212-A216 PolarHBondContact O-N 2.9Å; C213-A216 PolarHBondContact O-N 3.3Å; F214-A216 PolarHBondContact O-N 2.87Å; A216-N220 PolarHBondContact O-N 3.27Å; A216-N220 PolarHBondContact O-ND2 2.89Å |
| 217 | V | 83.6 | Confident | 71.4 | Confident | 110 Ų | 110 | 116.2 Ų | 116.2 | 67% | 0.667 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -65.8 | -40.6 | 174.8 | 171.6 | 0 | 0 | 0 | 0 | 111.3 | C213 F214 | C213-V217 WeakPolarHBondContact O-CG2 3.4Å; C213-V217 PolarHBondContact O-N 3.35Å; C213-V217 VanDerWaalsContact O-N 3.09Å; F214-V217 PolarHBondContact O-N 2.92Å |
| 218 | L | 73.4 | Confident | 68.9 | Low | 110 Ų | 110 | 118.6 Ų | 118.6 | 58% | 0.576 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -77.9 | -31.9 | -178.3 | -67.6 | 174.8 | 0 | 0 | 0 | 113.7 | F214 S215 | F214-L218 HydrophobicContact CD1-CD1 3.62Å; F214-L218 HydrophobicContact CD1-CG 4.3Å; F214-L218 HydrophobicContact CE1-CD1 3.87Å; F214-L218 WeakPolarHBondContact O-CG 3.37Å; F214-L218 PolarHBondContact O-N 3.26Å; S215-L218 PolarHBondContact O-N 2.91Å |
| 219 | H | 61.6 | Low | 66.7 | Low | 159 Ų | 159 | 120.3 Ų | 120.3 | 74% | 0.736 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -82.8 | -8.3 | -179.9 | -85.4 | -49.4 | 0 | 0 | 0 | 115.3 | S215 Q221 | S215-H219 WeakPolarHBondContact O-CB 3.29Å; S215-H219 PolarHBondContact O-N 3.43Å; H219-Q221 PolarHBondContact O-N 3.43Å |
| 220 | N | 53.6 | Low | 64.2 | Low | 139 Ų | 139 | 123 Ų | 123 | 74% | 0.743 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.4 | 16.2 | 171.3 | -78.6 | -28 | 0 | 0 | 0 | 113.8 | A216 | A216-N220 PolarHBondContact O-N 3.27Å; A216-N220 PolarHBondContact O-ND2 2.89Å |
| 221 | Q | 52.2 | Low | 61.7 | Low | 147 Ų | 147 | 124.1 Ų | 124.1 | 69% | 0.687 | 68% | 0.681 | S | S | * | * | S | Bend | trans | -100.7 | 126.5 | 170.1 | -69.5 | -70.6 | -6.3 | 0 | 0 | 109.7 | H219 S223 | H219-Q221 PolarHBondContact O-N 3.43Å; Q221-S223 PolarHBondContact O-N 2.91Å |
| 222 | P | 43.3 | Very low | 60 | Low | 113 Ų | 113 | 123.5 Ų | 123.5 | 73% | 0.734 | 69% | 0.688 | S | S | * | * | trans | -65.3 | 130.1 | 177.1 | 26.7 | -30.5 | 0 | 0 | 0 | 109.5 | S224 | P222-S224 PolarHBondContact O-N 3.37Š| ||
| 223 | S | 43.8 | Very low | 57.4 | Low | 124 Ų | 124 | 123.8 Ų | 123.8 | 87% | 0.867 | 70% | 0.7 | S | S | * | * | trans | -54.7 | 102.4 | 177.2 | 49.4 | 0 | 0 | 0 | 0 | 111.5 | Q221 | Q221-S223 PolarHBondContact O-N 2.91Š| ||
| 224 | S | 41.6 | Very low | 55 | Low | 115 Ų | 115 | 128.3 Ų | 128.3 | 80% | 0.804 | 71% | 0.713 | S | S | * | * | trans | -91 | 111.5 | 167 | 172.6 | 0 | 0 | 0 | 0 | 109.4 | P222 | P222-S224 PolarHBondContact O-N 3.37Š| ||
| 225 | S | 43.5 | Very low | 53 | Low | 105 Ų | 105 | 128.3 Ų | 128.3 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -70.1 | 123.2 | 174.7 | -175.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 226 | H | 41.7 | Very low | 50.8 | Low | 165 Ų | 165 | 135.3 Ų | 135.3 | 76% | 0.764 | 75% | 0.745 | S | S | * | * | trans | -163.5 | 104.8 | 147 | -99.3 | -66.2 | 0 | 0 | 0 | 112.5 | ||||
| 227 | R | 41.6 | Very low | 48.7 | Very low | 225 Ų | 225 | 143.1 Ų | 143.1 | 85% | 0.849 | 76% | 0.763 | S | S | * | * | trans | 34.6 | 112.8 | 136.5 | -123.7 | 175.6 | -82 | 169.9 | -5.2 | 119.9 | ||||
| 228 | F | 43.1 | Very low | 46.5 | Very low | 203 Ų | 203 | 147.8 Ų | 147.8 | 89% | 0.89 | 77% | 0.77 | S | S | * | * | trans | -72 | 169.4 | 169.7 | -61.7 | -87.5 | 0 | 0 | 0 | 114.3 | ||||
| 229 | P | 49.8 | Very low | 44.5 | Very low | 113 Ų | 113 | 147.4 Ų | 147.4 | 73% | 0.734 | 78% | 0.777 | S | S | * | * | -146.7 | 153.3 | 82.4 | 25.5 | -1.1 | 0 | 0 | 0 | 118.4 | |||||
| 230 | T | 41.4 | Very low | 43.4 | Very low | 134 Ų | 134 | 144.5 Ų | 144.5 | 82% | 0.822 | 77% | 0.774 | S | S | * | * | trans | 37.4 | 136.3 | 139.2 | -8.8 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 231 | S | 42.3 | Very low | 43 | Very low | 105 Ų | 105 | 146.5 Ų | 146.5 | 73% | 0.734 | 78% | 0.784 | S | S | * | * | cis | -176.8 | 179.6 | 36 | 84.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 232 | P | 58.1 | Low | 42.5 | Very low | 112 Ų | 112 | 146.5 Ų | 146.5 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | trans | -108.6 | 162.2 | -150.3 | 41.6 | -35.6 | 0 | 0 | 0 | 116.1 | ||||
| 233 | S | 37 | Very low | 42.6 | Very low | 118 Ų | 118 | 147.5 Ų | 147.5 | 83% | 0.825 | 79% | 0.787 | S | S | * | * | trans | -163.6 | 102.7 | 158.2 | -68.6 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 234 | H | 40.8 | Very low | 42.4 | Very low | 169 Ų | 169 | 147.8 Ų | 147.8 | 78% | 0.782 | 79% | 0.789 | S | S | * | * | 80.9 | 95.7 | 94.3 | -149.3 | -109.2 | 0 | 0 | 0 | 113.5 | |||||
| 235 | L | 47.9 | Very low | 42.5 | Very low | 137 Ų | 137 | 146.6 Ų | 146.6 | 72% | 0.717 | 78% | 0.78 | S | S | * | * | 161 | 109.6 | 115.7 | -85 | 173.3 | 0 | 0 | 0 | 112 | |||||
| 236 | F | 41.3 | Very low | 42.6 | Very low | 185 Ų | 185 | 152.9 Ų | 152.9 | 81% | 0.811 | 79% | 0.788 | S | S | * | * | trans | -50.5 | 131.3 | 147 | -89.2 | -99 | 0 | 0 | 0 | 110.5 | Y238 | F236-Y238 HydrophobicContact CD1-CD2 4.45Š| ||
| 237 | R | 40.6 | Very low | 42.6 | Very low | 217 Ų | 217 | 152.5 Ų | 152.5 | 82% | 0.819 | 79% | 0.791 | S | S | * | * | trans | -156.8 | 94.1 | 130.7 | -140.7 | -178.4 | -72.7 | 179.3 | -2.1 | 110.9 | S239 | R237-S239 PolarHBondContact O-N 3.09Š| ||
| 238 | Y | 37.3 | Very low | 42.6 | Very low | 208 Ų | 208 | 147.6 Ų | 147.6 | 82% | 0.816 | 79% | 0.786 | S | S | * | * | trans | -58.8 | 120.8 | 150.8 | -81.5 | -92.5 | 0 | 0 | 0 | 107.4 | F236 | F236-Y238 HydrophobicContact CD1-CD2 4.45Š| ||
| 239 | S | 32.7 | Very low | 42.3 | Very low | 102 Ų | 102 | 146.6 Ų | 146.6 | 71% | 0.713 | 78% | 0.782 | S | S | * | * | trans | -99.9 | 104.3 | 165.1 | -68.8 | 0 | 0 | 0 | 0 | 108 | R237 L241 | R237-S239 PolarHBondContact O-N 3.09Å; S239-L241 PolarHBondContact O-N 3.39Å | ||
| 240 | S | 37.8 | Very low | 42 | Very low | 98 Ų | 98 | 149.7 Ų | 149.7 | 69% | 0.685 | 79% | 0.786 | S | S | * | * | trans | -61.8 | 119.8 | 165.2 | -54.8 | 0 | 0 | 0 | 0 | 108.7 | I242 | S240-I242 VanDerWaalsContact C-N 3.28Å; S240-I242 PolarHBondContact O-N 2.92Å | ||
| 241 | L | 45.9 | Very low | 42.2 | Very low | 182 Ų | 182 | 151.1 Ų | 151.1 | 95% | 0.953 | 78% | 0.783 | S | S | * | * | trans | -69.5 | 89.9 | 165.1 | -77.4 | 163.9 | 0 | 0 | 0 | 108 | S239 N243 | S239-L241 PolarHBondContact O-N 3.39Å; L241-N243 PolarHBondContact O-N 3.4Å | ||
| 242 | I | 41.4 | Very low | 42.3 | Very low | 147 Ų | 147 | 151.3 Ų | 151.3 | 75% | 0.754 | 78% | 0.782 | S | S | * | * | trans | -79.4 | 107.2 | 172.7 | -52.7 | 170.4 | 0 | 0 | 0 | 107.5 | S240 S244 | S240-I242 VanDerWaalsContact C-N 3.28Å; S240-I242 PolarHBondContact O-N 2.92Å; I242-S244 PolarHBondContact O-N 3.45Å | ||
| 243 | N | 45.2 | Very low | 41.9 | Very low | 134 Ų | 134 | 152.8 Ų | 152.8 | 72% | 0.717 | 78% | 0.779 | S | S | * | * | trans | 8.3 | 107.9 | 147.9 | -163.2 | -38.6 | 0 | 0 | 0 | 116.4 | L241 S245 | L241-N243 PolarHBondContact O-N 3.4Å; N243-S245 PolarHBondContact OD1-N 2.96Å | ||
| 244 | S | 39.9 | Very low | 42.4 | Very low | 130 Ų | 130 | 152.1 Ų | 152.1 | 91% | 0.909 | 78% | 0.781 | S | S | * | * | trans | -127.8 | 82.3 | 152.8 | -87.3 | 0 | 0 | 0 | 0 | 109 | I242 | I242-S244 PolarHBondContact O-N 3.45Š| ||
| 245 | S | 42.5 | Very low | 43.1 | Very low | 90 Ų | 90 | 151.8 Ų | 151.8 | 63% | 0.629 | 78% | 0.777 | S | S | * | * | trans | -126.8 | 83.9 | 154.5 | -164.6 | 0 | 0 | 0 | 0 | 108.4 | N243 L247 | N243-S245 PolarHBondContact OD1-N 2.96Å; S245-L247 PolarHBondContact O-N 3.46Å | ||
| 246 | R | 46.3 | Very low | 43.1 | Very low | 237 Ų | 237 | 153 Ų | 153 | 89% | 0.894 | 78% | 0.784 | S | S | * | * | trans | -86.3 | 86.6 | 169.1 | -157.4 | -179.5 | -147.6 | -110.5 | 4.5 | 107 | T248 | R246-T248 PolarHBondContact O-N 2.91Š| ||
| 247 | L | 40.8 | Very low | 43.1 | Very low | 157 Ų | 157 | 152.5 Ų | 152.5 | 82% | 0.822 | 79% | 0.788 | S | S | * | * | trans | -67 | 115.7 | 162 | -72.5 | 174.1 | 0 | 0 | 0 | 107.6 | S245 F249 | S245-L247 PolarHBondContact O-N 3.46Å; L247-F249 PolarHBondContact O-N 3.33Å; L247-F249 VanDerWaalsContact O-N 3.12Å | ||
| 248 | T | 43.3 | Very low | 43.2 | Very low | 122 Ų | 122 | 147.6 Ų | 147.6 | 75% | 0.748 | 79% | 0.787 | S | S | * | * | trans | -68.6 | 102.8 | 171.7 | 50.3 | 0 | 0 | 0 | 0 | 108.7 | R246 Q250 | R246-T248 PolarHBondContact O-N 2.91Å; T248-Q250 PolarHBondContact O-N 3.22Å; T248-Q250 VanDerWaalsContact O-N 3.15Å | ||
| 249 | F | 36.7 | Very low | 43.7 | Very low | 182 Ų | 182 | 147.2 Ų | 147.2 | 80% | 0.798 | 79% | 0.79 | S | S | * | * | trans | -69.8 | 104.6 | 161.8 | -175.8 | -101.7 | 0 | 0 | 0 | 107.8 | L247 Q251 | L247-F249 PolarHBondContact O-N 3.33Å; L247-F249 VanDerWaalsContact O-N 3.12Å; F249-Q251 PolarHBondContact O-N 3.46Å | ||
| 250 | Q | 43.3 | Very low | 43.9 | Very low | 178 Ų | 178 | 149.2 Ų | 149.2 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | -75.5 | 105.4 | 172.8 | -158.7 | 173.9 | 28.7 | 0 | 0 | 107.7 | T248 P252 | T248-Q250 PolarHBondContact O-N 3.22Å; T248-Q250 VanDerWaalsContact O-N 3.15Å; Q250-P252 WeakPolarHBondContact O-CD 3.28Å | ||
| 251 | Q | 44.6 | Very low | 43.8 | Very low | 163 Ų | 163 | 152.7 Ų | 152.7 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | P | Polyproline II helix | trans | -64.1 | 123.5 | 173.2 | -165 | 177.7 | 10.2 | 0 | 0 | 108.9 | F249 H253 | F249-Q251 PolarHBondContact O-N 3.46Å; Q251-H253 PolarHBondContact O-N 3.49Å |
| 252 | P | 45.3 | Very low | 43.2 | Very low | 110 Ų | 110 | 154.7 Ų | 154.7 | 71% | 0.714 | 80% | 0.798 | S | S | * | * | P | Polyproline II helix | trans | -61.8 | 131.5 | 175 | -20.9 | 32.1 | 0 | 0 | 0 | 110.3 | Q250 A254 | Q250-P252 WeakPolarHBondContact O-CD 3.28Å; P252-A254 PolarHBondContact O-N 3.34Å |
| 253 | H | 48.8 | Very low | 43.1 | Very low | 143 Ų | 143 | 154.6 Ų | 154.6 | 66% | 0.662 | 80% | 0.797 | S | S | * | * | P | Polyproline II helix | trans | -55.9 | 121.2 | -178.1 | -158.1 | -67.5 | 0 | 0 | 0 | 111 | Q251 K255 | Q251-H253 PolarHBondContact O-N 3.49Å; H253-K255 WeakPolarHBondContact CE1-CD 3.33Å; H253-K255 VanDerWaalsContact CE1-CE 3.48Å; H253-K255 WeakPolarHBondContact CE1-CE 3.33Å; H253-K255 WeakPolarHBondContact ND1-CG 3.36Å; H253-K255 PolarHBondContact O-N 2.87Å |
| 254 | A | 48.4 | Very low | 42.6 | Very low | 104 Ų | 104 | 153.7 Ų | 153.7 | 86% | 0.86 | 80% | 0.796 | S | S | * | * | trans | -73.1 | 77.7 | 170.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | P252 | P252-A254 PolarHBondContact O-N 3.34Š| ||
| 255 | K | 54.5 | Low | 42.2 | Very low | 162 Ų | 162 | 152.6 Ų | 152.6 | 70% | 0.704 | 79% | 0.789 | S | S | * | * | trans | -139.4 | 74.2 | 163.4 | -79.2 | -177.1 | 179.7 | 167.9 | 0 | 108.4 | H253 | H253-K255 WeakPolarHBondContact CE1-CD 3.33Å; H253-K255 VanDerWaalsContact CE1-CE 3.48Å; H253-K255 WeakPolarHBondContact CE1-CE 3.33Å; H253-K255 WeakPolarHBondContact ND1-CG 3.36Å; H253-K255 PolarHBondContact O-N 2.87Å | ||
| 256 | D | 48.7 | Very low | 41.7 | Very low | 162 Ų | 162 | 153.9 Ų | 153.9 | 87% | 0.866 | 80% | 0.797 | S | S | * | * | trans | 173.1 | 84 | 142.8 | -96.7 | -18.3 | 0 | 0 | 0 | 109 | ||||
| 257 | I | 41 | Very low | 41 | Very low | 174 Ų | 174 | 148.1 Ų | 148.1 | 89% | 0.892 | 79% | 0.793 | S | S | * | * | trans | -124.2 | 111.8 | 154.1 | -59.7 | 178.6 | 0 | 0 | 0 | 106.2 | ||||
| 258 | S | 43.7 | Very low | 40.8 | Very low | 114 Ų | 114 | 150.8 Ų | 150.8 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -59.2 | 146 | 176.9 | -171.1 | 0 | 0 | 0 | 0 | 111.5 | V260 | S258-V260 PolarHBondContact O-N 3.34Š| ||
| 259 | K | 46.8 | Very low | 40.1 | Very low | 200 Ų | 200 | 150.5 Ų | 150.5 | 87% | 0.87 | 80% | 0.801 | S | S | * | * | trans | -61.3 | 120.8 | -171 | -61.7 | 166 | 179.5 | 174.9 | 0 | 111.9 | ||||
| 260 | V | 37.2 | Very low | 40.5 | Very low | 144 Ų | 144 | 147.4 Ų | 147.4 | 87% | 0.873 | 80% | 0.8 | S | S | * | * | trans | -110.6 | 110.3 | 151 | 177 | 0 | 0 | 0 | 0 | 107.5 | S258 R262 | S258-V260 PolarHBondContact O-N 3.34Å; V260-R262 PolarHBondContact O-N 3.03Å | ||
| 261 | Q | 35.5 | Very low | 39.9 | Very low | 171 Ų | 171 | 147.7 Ų | 147.7 | 80% | 0.799 | 80% | 0.803 | S | S | * | * | trans | -72.8 | 108.7 | -174.6 | -171.4 | 154 | 6.8 | 0 | 0 | 110.4 | I263 | Q261-I263 PolarHBondContact O-N 3.24Š| ||
| 262 | R | 32.9 | Very low | 39.2 | Very low | 225 Ų | 225 | 147.3 Ų | 147.3 | 85% | 0.849 | 81% | 0.806 | S | S | * | * | trans | -77.4 | 104.6 | 166.7 | -172 | -175.6 | -67.1 | 148.3 | -0.5 | 108 | V260 V264 | V260-R262 PolarHBondContact O-N 3.03Å; R262-V264 HydrophobicContact CG-CG2 4.18Å; R262-V264 PolarHBondContact O-N 3.33Å; R262-V264 VanDerWaalsContact O-N 3.14Å | ||
| 263 | I | 38.8 | Very low | 38.5 | Very low | 144 Ų | 144 | 150 Ų | 150 | 74% | 0.738 | 81% | 0.813 | S | S | * | * | trans | -72 | 101.4 | 169.2 | -59.6 | 171.8 | 0 | 0 | 0 | 107.2 | Q261 | Q261-I263 PolarHBondContact O-N 3.24Š| ||
| 264 | V | 36 | Very low | 37.5 | Very low | 115 Ų | 115 | 155.1 Ų | 155.1 | 70% | 0.697 | 83% | 0.827 | S | S | * | * | trans | -103.9 | 109.6 | 157.3 | 173.6 | 0 | 0 | 0 | 0 | 105.7 | R262 S266 | R262-V264 HydrophobicContact CG-CG2 4.18Å; R262-V264 PolarHBondContact O-N 3.33Å; R262-V264 VanDerWaalsContact O-N 3.14Å; V264-S266 PolarHBondContact O-N 2.93Å | ||
| 265 | S | 30.9 | Very low | 36.8 | Very low | 108 Ų | 108 | 158 Ų | 158 | 76% | 0.755 | 82% | 0.822 | S | S | * | * | trans | -69.2 | 111.7 | 175.4 | -60.2 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 266 | S | 31.5 | Very low | 35.8 | Very low | 116 Ų | 116 | 156.9 Ų | 156.9 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -115.9 | 102.8 | 157 | 66 | 0 | 0 | 0 | 0 | 108.7 | V264 | V264-S266 PolarHBondContact O-N 2.93Š| ||
| 267 | S | 32.7 | Very low | 34.9 | Very low | 116 Ų | 116 | 160 Ų | 160 | 81% | 0.811 | 82% | 0.822 | S | S | * | * | trans | -117.9 | 110.9 | 162.5 | 57.3 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 268 | K | 36 | Very low | 34.7 | Very low | 214 Ų | 214 | 162.6 Ų | 162.6 | 93% | 0.93 | 82% | 0.821 | S | S | * | * | trans | -88.4 | 120.4 | 157.9 | -83.3 | -178.8 | 174.7 | 178.4 | 0 | 108 | ||||
| 269 | S | 28.4 | Very low | 33.9 | Very low | 115 Ų | 115 | 165.5 Ų | 165.5 | 80% | 0.804 | 82% | 0.821 | S | S | * | * | trans | -159.4 | 158.4 | 136.6 | 82.9 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 270 | P | 46.3 | Very low | 33.1 | Very low | 118 Ų | 118 | 160.4 Ų | 160.4 | 77% | 0.766 | 81% | 0.811 | S | S | * | * | trans | -97.1 | 140.4 | -143.7 | 35.8 | -32.3 | 0 | 0 | 0 | 113.2 | ||||
| 271 | M | 29 | Very low | 32.9 | Very low | 184 Ų | 184 | 160.5 Ų | 160.5 | 91% | 0.906 | 81% | 0.812 | S | S | * | * | trans | -150.9 | 135.2 | 152.6 | -91.7 | -148.6 | 168 | 0 | 0 | 112.7 | ||||
| 272 | N | 31.1 | Very low | 32.7 | Very low | 155 Ų | 155 | 155.6 Ų | 155.6 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -15.9 | 122.6 | 175.2 | -72.5 | -77.7 | 0 | 0 | 0 | 118.7 | ||||
| 273 | I | 31.2 | Very low | 33.1 | Very low | 166 Ų | 166 | 151.6 Ų | 151.6 | 85% | 0.851 | 81% | 0.807 | S | S | * | * | trans | -73.9 | 119 | 156.7 | -72.3 | 167.9 | 0 | 0 | 0 | 108 | ||||
| 274 | R | 27.7 | Very low | 33 | Very low | 251 Ų | 251 | 154.7 Ų | 154.7 | 95% | 0.947 | 82% | 0.816 | S | S | * | * | trans | -116.4 | 129.4 | 150.3 | -145.2 | -179 | -157.1 | -173.6 | 5.7 | 107.4 | ||||
| 275 | E | 33.2 | Very low | 32.8 | Very low | 163 Ų | 163 | 157.2 Ų | 157.2 | 76% | 0.762 | 82% | 0.82 | S | S | * | * | trans | -69.1 | 168.1 | -168.5 | -169.3 | 176.3 | -175.6 | 0 | 0 | 113.8 | ||||
| 276 | I | 32.3 | Very low | 32.6 | Very low | 139 Ų | 139 | 158.4 Ų | 158.4 | 71% | 0.713 | 83% | 0.826 | S | S | * | * | trans | 121.1 | 99.9 | 146 | -55.8 | 165.1 | 0 | 0 | 0 | 115.5 | ||||
| 277 | R | 31.2 | Very low | 32.7 | Very low | 227 Ų | 227 | 161 Ų | 161 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | 93.2 | 133.6 | 124.3 | -160.1 | 172.5 | -174.7 | 137.7 | -0.6 | 121.6 | |||||
| 278 | R | 35.8 | Very low | 33.1 | Very low | 230 Ų | 230 | 163.8 Ų | 163.8 | 87% | 0.868 | 83% | 0.828 | S | S | * | * | trans | -64.1 | 149.3 | 174.1 | -55.2 | 171.1 | -173.8 | 152.6 | 0.7 | 112.3 | ||||
| 279 | E | 28 | Very low | 33 | Very low | 174 Ų | 174 | 162.6 Ų | 162.6 | 81% | 0.813 | 83% | 0.826 | S | S | * | * | -178.9 | 113.7 | 116.2 | -109 | 172.4 | 153 | 0 | 0 | 113.8 | |||||
| 280 | S | 30 | Very low | 33.5 | Very low | 93 Ų | 93 | 165.1 Ų | 165.1 | 65% | 0.65 | 82% | 0.822 | S | S | * | * | 41.4 | 137 | 125.5 | 76 | 0 | 0 | 0 | 0 | 125 | |||||
| 281 | V | 32.5 | Very low | 32.9 | Very low | 147 Ų | 147 | 165.9 Ų | 165.9 | 89% | 0.891 | 83% | 0.825 | S | S | * | * | trans | 88.1 | 125.7 | 143.6 | -170.1 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 282 | G | 31.9 | Very low | 33 | Very low | 68 Ų | 68 | 162.3 Ų | 162.3 | 70% | 0.701 | 82% | 0.824 | S | S | * | * | trans | 146.6 | 73.2 | 144.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 283 | V | 40.6 | Very low | 33 | Very low | 141 Ų | 141 | 158.2 Ų | 158.2 | 86% | 0.855 | 82% | 0.819 | S | S | * | * | trans | -61.2 | 129.1 | 164.9 | 174 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 284 | K | 36.7 | Very low | 33.1 | Very low | 209 Ų | 209 | 159.6 Ų | 159.6 | 91% | 0.909 | 82% | 0.822 | S | S | * | * | trans | -135.7 | 127.7 | 155.1 | -94 | -172.4 | 178.4 | -178.4 | 0 | 110.6 | ||||
| 285 | E | 31.8 | Very low | 33.2 | Very low | 168 Ų | 168 | 153.3 Ų | 153.3 | 79% | 0.785 | 82% | 0.815 | S | S | * | * | trans | -79.4 | 126.4 | -173.5 | -171.2 | 166.8 | -175.8 | 0 | 0 | 110.4 | ||||
| 286 | C | 27.5 | Very low | 33.3 | Very low | 132 Ų | 132 | 154.3 Ų | 154.3 | 89% | 0.892 | 82% | 0.817 | S | S | * | * | trans | -87.1 | 110.2 | 171.7 | -83.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 287 | Q | 32.7 | Very low | 33.4 | Very low | 170 Ų | 170 | 155.8 Ų | 155.8 | 79% | 0.794 | 82% | 0.821 | S | S | * | * | trans | -91.9 | 125.2 | 160.2 | -75.9 | -169.8 | 13.4 | 0 | 0 | 109.8 | ||||
| 288 | M | 40.7 | Very low | 33.7 | Very low | 175 Ų | 175 | 152.5 Ų | 152.5 | 86% | 0.862 | 82% | 0.821 | S | S | * | * | trans | -94.4 | 127.6 | 162.2 | -77.4 | 177 | 63 | 0 | 0 | 108.2 | ||||
| 289 | E | 34.6 | Very low | 33.6 | Very low | 189 Ų | 189 | 150.4 Ų | 150.4 | 88% | 0.883 | 82% | 0.821 | S | S | * | * | trans | -129.6 | 141.5 | 159 | -163.4 | 163.8 | -165.3 | 0 | 0 | 109.8 | ||||
| 290 | K | 38.2 | Very low | 34.1 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 74% | 0.735 | 82% | 0.82 | S | S | * | * | trans | -99.1 | 146.2 | -163.6 | -71.9 | 172.6 | 168.2 | 172.6 | 0 | 112 | ||||
| 291 | T | 34.3 | Very low | 34.2 | Very low | 134 Ų | 134 | 151.5 Ų | 151.5 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | 52.5 | 126.2 | 138.1 | 52.7 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 292 | A | 30.7 | Very low | 34.1 | Very low | 108 Ų | 108 | 148.1 Ų | 148.1 | 89% | 0.893 | 83% | 0.825 | S | S | * | * | 142.3 | 136.1 | 126.5 | 0 | 0 | 0 | 0 | 0 | 108.7 | |||||
| 293 | G | 31.4 | Very low | 33.9 | Very low | 70 Ų | 70 | 150.9 Ų | 150.9 | 72% | 0.722 | 83% | 0.833 | S | S | * | * | cis | -173.1 | 165.8 | 5.2 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 294 | E | 34.4 | Very low | 33.7 | Very low | 194 Ų | 194 | 148.6 Ų | 148.6 | 91% | 0.907 | 83% | 0.829 | S | S | * | * | trans | 39.4 | 119 | 148.8 | -61.6 | 173.8 | 177.4 | 0 | 0 | 120.3 | ||||
| 295 | C | 28.6 | Very low | 34.1 | Very low | 119 Ų | 119 | 144.5 Ų | 144.5 | 80% | 0.804 | 82% | 0.824 | S | S | * | * | 173.3 | 159.5 | 89.2 | -156.6 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 296 | F | 35.8 | Very low | 34 | Very low | 185 Ų | 185 | 145.5 Ų | 145.5 | 81% | 0.811 | 83% | 0.828 | S | S | * | * | trans | -58.1 | 156.2 | -175.8 | -72.6 | -104 | 0 | 0 | 0 | 115.4 | ||||
| 297 | Q | 34.4 | Very low | 34.2 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 79% | 0.79 | 82% | 0.817 | S | S | * | * | 174.9 | 128.3 | 101.2 | -148.6 | 117.8 | -3.4 | 0 | 0 | 111.3 | |||||
| 298 | N | 37 | Very low | 34.2 | Very low | 158 Ų | 158 | 144.8 Ų | 144.8 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -69 | 141.5 | 162.1 | -69.5 | -52.1 | 0 | 0 | 0 | 109.8 | ||||
| 299 | Q | 34.7 | Very low | 33.7 | Very low | 186 Ų | 186 | 142 Ų | 142 | 87% | 0.869 | 82% | 0.817 | S | S | * | * | trans | -139.3 | 114.4 | 153.2 | -73 | -167.2 | 53.9 | 0 | 0 | 110.2 | ||||
| 300 | T | 36.8 | Very low | 33.6 | Very low | 129 Ų | 129 | 139.7 Ų | 139.7 | 79% | 0.791 | 81% | 0.81 | S | S | * | * | trans | -100.8 | 126.5 | 147.7 | -54.2 | 0 | 0 | 0 | 0 | 104.8 | ||||
| 301 | D | 32.1 | Very low | 33.6 | Very low | 162 Ų | 162 | 137.9 Ų | 137.9 | 87% | 0.866 | 82% | 0.816 | S | S | * | * | trans | -175.1 | 141 | 139.5 | -89.9 | -25 | 0 | 0 | 0 | 110 | ||||
| 302 | G | 31.8 | Very low | 33.4 | Very low | 76 Ų | 76 | 138 Ų | 138 | 78% | 0.784 | 81% | 0.811 | S | S | * | * | trans | -84.2 | 158.5 | -173.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 303 | S | 28 | Very low | 33.5 | Very low | 126 Ų | 126 | 140.7 Ų | 140.7 | 88% | 0.881 | 81% | 0.809 | S | S | * | * | trans | -164.8 | 132.9 | 139.9 | 54.2 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 304 | A | 36.1 | Very low | 33.6 | Very low | 92 Ų | 92 | 145.6 Ų | 145.6 | 76% | 0.76 | 81% | 0.813 | S | S | * | * | trans | -108.8 | 176.6 | 155.2 | 0 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 305 | P | 45 | Very low | 33.4 | Very low | 124 Ų | 124 | 145 Ų | 145 | 81% | 0.805 | 81% | 0.81 | S | S | * | * | cis | -140.9 | 175.1 | 5.9 | 37.8 | -17.8 | 0 | 0 | 0 | 114.7 | ||||
| 306 | E | 29.6 | Very low | 33.4 | Very low | 188 Ų | 188 | 147.1 Ų | 147.1 | 88% | 0.879 | 81% | 0.806 | S | S | * | * | trans | -139 | 119.9 | 158.1 | -138 | 178.7 | -169.6 | 0 | 0 | 112.6 | ||||
| 307 | S | 32.3 | Very low | 33.2 | Very low | 94 Ų | 94 | 144.3 Ų | 144.3 | 66% | 0.657 | 80% | 0.799 | S | S | * | * | trans | 8.1 | 135.5 | 160.5 | 63.2 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 308 | K | 31.6 | Very low | 33 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 84% | 0.839 | 80% | 0.8 | S | S | * | * | -171 | 117 | 109.8 | -97.1 | 161.7 | -170.8 | 178.7 | 0 | 113.5 | |||||
| 309 | S | 30.4 | Very low | 32.7 | Very low | 117 Ų | 117 | 143 Ų | 143 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 49.5 | 110.3 | 147.4 | 60.7 | 0 | 0 | 0 | 0 | 122.2 | ||||
| 310 | L | 31.6 | Very low | 32.5 | Very low | 140 Ų | 140 | 142.5 Ų | 142.5 | 73% | 0.733 | 79% | 0.794 | S | S | * | * | trans | -69.5 | 167.2 | 141.5 | -91.8 | 158.5 | 0 | 0 | 0 | 111.3 | D312 | L310-D312 HydrophobicContact CD2-CB 4.24Š| ||
| 311 | P | 38.9 | Very low | 32.3 | Very low | 132 Ų | 132 | 141.7 Ų | 141.7 | 86% | 0.857 | 79% | 0.794 | S | S | * | * | -130 | 143.7 | 97.5 | 26.1 | -10.8 | 0 | 0 | 0 | 114 | |||||
| 312 | D | 30.4 | Very low | 32.2 | Very low | 136 Ų | 136 | 143.3 Ų | 143.3 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -103.8 | 144.1 | 179.5 | -144.5 | -6.2 | 0 | 0 | 0 | 109.7 | L310 | L310-D312 HydrophobicContact CD2-CB 4.24Š|
| 313 | I | 32.3 | Very low | 32.2 | Very low | 164 Ų | 164 | 147.1 Ų | 147.1 | 84% | 0.841 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -100.8 | 130.2 | 170.6 | -71.3 | 177.6 | 0 | 0 | 0 | 108.4 | ||
| 314 | Q | 33 | Very low | 32.3 | Very low | 174 Ų | 174 | 149.1 Ų | 149.1 | 81% | 0.813 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -57.1 | 149.9 | 179.9 | -65.8 | 172 | -46.7 | 0 | 0 | 115.5 | ||
| 315 | Q | 31.3 | Very low | 32.2 | Very low | 181 Ų | 181 | 150.2 Ų | 150.2 | 85% | 0.846 | 79% | 0.787 | S | S | * | * | 151.6 | 148.2 | 123.2 | -85.2 | -178.1 | 3.6 | 0 | 0 | 109.4 | |||||
| 316 | K | 28.8 | Very low | 31.5 | Very low | 163 Ų | 163 | 150.3 Ų | 150.3 | 71% | 0.709 | 79% | 0.785 | S | S | * | * | cis | 174.2 | 134.1 | -10.2 | 171.8 | 176.8 | 179.2 | -178 | 0 | 105.4 | ||||
| 317 | D | 30.5 | Very low | 31.7 | Very low | 126 Ų | 126 | 150.1 Ų | 150.1 | 67% | 0.674 | 78% | 0.781 | S | S | * | * | trans | 51.3 | 153.6 | 156.2 | -54.8 | -28 | 0 | 0 | 0 | 118.9 | ||||
| 318 | Q | 31.6 | Very low | 31.5 | Very low | 173 Ų | 173 | 152 Ų | 152 | 81% | 0.808 | 78% | 0.783 | S | S | * | * | cis | -173.3 | 133.2 | 29.5 | -135.3 | 168.7 | 13.5 | 0 | 0 | 106.5 | ||||
| 319 | V | 30.2 | Very low | 31.5 | Very low | 126 Ų | 126 | 146.7 Ų | 146.7 | 76% | 0.764 | 77% | 0.77 | S | S | * | * | 76.4 | 144.6 | 104 | -176.6 | 0 | 0 | 0 | 0 | 118.1 | |||||
| 320 | Q | 31.3 | Very low | 31.6 | Very low | 177 Ų | 177 | 148.9 Ų | 148.9 | 83% | 0.827 | 77% | 0.767 | S | S | * | * | trans | 95.2 | 106.2 | 171.9 | -52.9 | -166.8 | -26.5 | 0 | 0 | 114.8 | ||||
| 321 | S | 30.6 | Very low | 31.6 | Very low | 112 Ų | 112 | 147.6 Ų | 147.6 | 78% | 0.783 | 76% | 0.761 | S | S | * | * | 56.2 | 98.6 | 58.3 | -168.8 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 322 | E | 30.1 | Very low | 31.4 | Very low | 195 Ų | 195 | 146.9 Ų | 146.9 | 91% | 0.911 | 75% | 0.75 | S | S | * | * | -162.6 | 139.5 | 125.1 | -114 | 171.5 | -178.4 | 0 | 0 | 112.8 | |||||
| 323 | Q | 33.3 | Very low | 31.5 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 73% | 0.734 | 75% | 0.752 | S | S | * | * | trans | -77.9 | 146.7 | -178.5 | 179.1 | -179.3 | 1.5 | 0 | 0 | 109.6 | ||||
| 324 | L | 30.5 | Very low | 31.6 | Very low | 168 Ų | 168 | 148.2 Ų | 148.2 | 88% | 0.88 | 75% | 0.75 | S | S | * | * | trans | -168.7 | 127.6 | 131 | -103.5 | 156.1 | 0 | 0 | 0 | 112 | ||||
| 325 | D | 32.6 | Very low | 31.6 | Very low | 115 Ų | 115 | 144 Ų | 144 | 62% | 0.615 | 75% | 0.745 | S | S | * | * | trans | -55.2 | 154.3 | 178 | -60.3 | -83.4 | 0 | 0 | 0 | 113.8 | ||||
| 326 | T | 31.6 | Very low | 31.9 | Very low | 126 Ų | 126 | 143.2 Ų | 143.2 | 77% | 0.773 | 75% | 0.747 | S | S | * | * | 172.8 | 113.2 | 99.9 | -61.1 | 0 | 0 | 0 | 0 | 110.4 | |||||
| 327 | K | 32 | Very low | 32 | Very low | 184 Ų | 184 | 139.4 Ų | 139.4 | 80% | 0.8 | 75% | 0.754 | S | S | * | * | trans | 4.2 | 153.4 | 134.1 | -72.1 | -176.5 | 160.1 | 179.4 | 0 | 117.2 | ||||
| 328 | L | 29.6 | Very low | 32.1 | Very low | 134 Ų | 134 | 142.6 Ų | 142.6 | 70% | 0.702 | 77% | 0.765 | S | S | * | * | cis | -167.3 | 142.4 | 8 | -144.3 | 82.5 | 0 | 0 | 0 | 106 | ||||
| 329 | S | 31 | Very low | 32.1 | Very low | 80 Ų | 80 | 139.5 Ų | 139.5 | 56% | 0.559 | 76% | 0.762 | S | S | * | * | trans | 34 | 142.6 | 135.6 | 82.2 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 330 | H | 31.8 | Very low | 32.4 | Very low | 163 Ų | 163 | 138.2 Ų | 138.2 | 76% | 0.755 | 76% | 0.759 | S | S | * | * | trans | 63.4 | 140.7 | 132.6 | -78.9 | -55.3 | 0 | 0 | 0 | 117.7 | ||||
| 331 | D | 32.7 | Very low | 32.8 | Very low | 114 Ų | 114 | 138.8 Ų | 138.8 | 61% | 0.61 | 76% | 0.759 | S | S | * | * | cis | -167 | 154.6 | 11.6 | -128.3 | -9.9 | 0 | 0 | 0 | 109.6 | ||||
| 332 | N | 33.9 | Very low | 33.1 | Very low | 116 Ų | 116 | 143.1 Ų | 143.1 | 62% | 0.62 | 76% | 0.763 | S | S | * | * | trans | 45.8 | 129.9 | 139.3 | -75.7 | -49.8 | 0 | 0 | 0 | 124.1 | ||||
| 333 | K | 32.1 | Very low | 33.5 | Very low | 176 Ų | 176 | 140.4 Ų | 140.4 | 77% | 0.765 | 76% | 0.76 | S | S | * | * | trans | 69.1 | 118.5 | 133.1 | -69.1 | 178.4 | 178.5 | 177.5 | 0 | 119.2 | ||||
| 334 | D | 35 | Very low | 33.9 | Very low | 152 Ų | 152 | 142.2 Ų | 142.2 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | -172.1 | 116.5 | 114 | -80.6 | -27.9 | 0 | 0 | 0 | 106.2 | |||||
| 335 | A | 34.3 | Very low | 34.4 | Very low | 85 Ų | 85 | 141.8 Ų | 141.8 | 70% | 0.702 | 76% | 0.764 | S | S | * | * | 65.7 | 132.8 | 79.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 336 | D | 35.8 | Very low | 34.7 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 89% | 0.888 | 77% | 0.771 | S | S | * | * | trans | 78.3 | 82.6 | 168.3 | -58.1 | -14.7 | 0 | 0 | 0 | 118.9 | ||||
| 337 | G | 31.5 | Very low | 35.4 | Very low | 82 Ų | 82 | 146.1 Ų | 146.1 | 85% | 0.845 | 77% | 0.771 | S | S | * | * | trans | -103.8 | 106.5 | 152.1 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 338 | E | 33 | Very low | 35.7 | Very low | 193 Ų | 193 | 146.9 Ų | 146.9 | 90% | 0.902 | 77% | 0.77 | S | S | * | * | trans | -163.8 | 111.9 | 151.4 | -155.5 | 171.1 | -169.6 | 0 | 0 | 110.8 | ||||
| 339 | S | 32 | Very low | 36.7 | Very low | 108 Ų | 108 | 151.8 Ų | 151.8 | 76% | 0.755 | 80% | 0.797 | S | S | * | * | trans | 174.5 | 98.8 | 146.5 | 175.6 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 340 | S | 36.3 | Very low | 37 | Very low | 99 Ų | 99 | 155.4 Ų | 155.4 | 69% | 0.692 | 81% | 0.809 | S | S | * | * | 54.9 | 132 | 121.6 | -70.9 | 0 | 0 | 0 | 0 | 122.3 | |||||
| 341 | K | 39.8 | Very low | 37.3 | Very low | 190 Ų | 190 | 154.9 Ų | 154.9 | 83% | 0.826 | 81% | 0.812 | S | S | * | * | trans | 95 | 94.3 | 143.4 | -69.4 | 161.1 | -177.1 | 178.6 | 0 | 119 | ||||
| 342 | K | 36.9 | Very low | 37.5 | Very low | 202 Ų | 202 | 157.2 Ų | 157.2 | 88% | 0.878 | 82% | 0.823 | S | S | * | * | 45.2 | 101.2 | 100.5 | -156.8 | -173.2 | -155.7 | -177.6 | 0 | 116.7 | |||||
| 343 | T | 37.8 | Very low | 37.7 | Very low | 139 Ų | 139 | 159.6 Ų | 159.6 | 85% | 0.853 | 84% | 0.835 | S | S | * | * | trans | -148.7 | 124.3 | 143 | -26.1 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 344 | K | 41.4 | Very low | 38.1 | Very low | 194 Ų | 194 | 158.6 Ų | 158.6 | 84% | 0.843 | 84% | 0.839 | S | S | * | * | trans | -65.8 | 142.1 | 163 | -70.5 | 175.2 | 172.2 | -176.9 | 0 | 108.4 | ||||
| 345 | L | 41.2 | Very low | 38.3 | Very low | 160 Ų | 160 | 159.1 Ų | 159.1 | 84% | 0.838 | 84% | 0.841 | S | S | * | * | trans | -138.3 | 127.4 | 147.5 | -146.5 | 83.1 | 0 | 0 | 0 | 108.7 | ||||
| 346 | H | 38.8 | Very low | 38.6 | Very low | 168 Ų | 168 | 164.4 Ų | 164.4 | 78% | 0.778 | 85% | 0.851 | S | S | * | * | trans | -122.7 | 115.6 | 174.6 | -162.6 | -24 | 0 | 0 | 0 | 104.2 | ||||
| 347 | E | 46 | Very low | 38.8 | Very low | 164 Ų | 164 | 164.2 Ų | 164.2 | 77% | 0.766 | 85% | 0.848 | S | S | * | * | trans | -160.4 | 100.7 | 167.4 | -124.7 | 174.5 | 173.3 | 0 | 0 | 104.8 | ||||
| 348 | Y | 39.8 | Very low | 39.4 | Very low | 200 Ų | 200 | 171.1 Ų | 171.1 | 78% | 0.784 | 85% | 0.848 | S | S | * | * | 47.3 | 94 | 95 | -93.5 | -79.5 | 0 | 0 | 0 | 113.7 | |||||
| 349 | N | 50 | Low | 40 | Very low | 236 Ų | 236 | 169.1 Ų | 169.1 | 100% | 1.262 | 84% | 0.843 | S | S | * | * | -148 | 0 | 116.3 | -101.7 | -34.3 | 0 | 0 | 0 | 109.6 |
Retrieved 349 of 349 residues in 95.1 ms
(Link to these results)