| 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 | 36.8 | Very low | 35.2 | Very low | 247 Ų | 247 | 146.8 Ų | 146.8 | 100% | 1.217 | 83% | 0.827 | S | S | * | * | 0 | 108.3 | 0 | -90.7 | 167 | 171.8 | 0 | 0 | 107.6 | |||||
| 2 | V | 33.5 | Very low | 36.1 | Very low | 130 Ų | 130 | 143.4 Ų | 143.4 | 79% | 0.788 | 82% | 0.815 | S | S | * | * | trans | -100.5 | 146.8 | 174.4 | 166.9 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 3 | P | 39.5 | Very low | 36.4 | Very low | 114 Ų | 114 | 141.8 Ų | 141.8 | 74% | 0.74 | 80% | 0.803 | S | S | * | * | trans | -124.7 | 105.1 | 137.7 | 22.7 | -5.5 | 0 | 0 | 0 | 108.6 | ||||
| 4 | T | 34.4 | Very low | 36.6 | Very low | 124 Ų | 124 | 144.1 Ų | 144.1 | 76% | 0.761 | 81% | 0.812 | S | S | * | * | 79.7 | 114.8 | 96.7 | 50.1 | 0 | 0 | 0 | 0 | 113.2 | |||||
| 5 | E | 38.6 | Very low | 36.7 | Very low | 167 Ų | 167 | 145.8 Ų | 145.8 | 78% | 0.78 | 81% | 0.807 | S | S | * | * | trans | -50.2 | 154.2 | 174.4 | -64.6 | 167.1 | 107.3 | 0 | 0 | 113.8 | ||||
| 6 | N | 31.3 | Very low | 37.6 | Very low | 168 Ų | 168 | 142.3 Ų | 142.3 | 90% | 0.898 | 79% | 0.794 | S | S | * | * | trans | -147.7 | 100 | 136.5 | -106.1 | -6.1 | 0 | 0 | 0 | 109.7 | ||||
| 7 | T | 38.1 | Very low | 38.2 | Very low | 122 Ų | 122 | 141 Ų | 141 | 75% | 0.748 | 79% | 0.794 | S | S | * | * | trans | -100.2 | 118.1 | 166.9 | -24.3 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 8 | S | 32.6 | Very low | 38.6 | Very low | 108 Ų | 108 | 140.5 Ų | 140.5 | 76% | 0.755 | 79% | 0.789 | S | S | * | * | trans | 179.5 | 149.9 | 153.9 | 51.9 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 9 | V | 32.3 | Very low | 39.3 | Very low | 140 Ų | 140 | 138.7 Ų | 138.7 | 85% | 0.848 | 79% | 0.786 | S | S | * | * | cis | -168.2 | 151.9 | -9 | 140.2 | 0 | 0 | 0 | 0 | 103.4 | ||||
| 10 | F | 33.6 | Very low | 39.9 | Very low | 194 Ų | 194 | 137.1 Ų | 137.1 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -63.8 | 155.3 | 177.3 | -109.6 | -100.1 | 0 | 0 | 0 | 115.1 | ||||
| 11 | S | 36.3 | Very low | 40 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | 88.1 | 161.7 | 150.7 | -58.4 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 12 | P | 46 | Very low | 40.3 | Very low | 106 Ų | 106 | 128 Ų | 128 | 69% | 0.688 | 75% | 0.753 | S | S | * | * | cis | -130.2 | -173.9 | -44.9 | 34.3 | -15.8 | 0 | 0 | 0 | 110.5 | ||||
| 13 | D | 40.4 | Very low | 40.7 | Very low | 122 Ų | 122 | 126.4 Ų | 126.4 | 65% | 0.652 | 75% | 0.753 | S | S | * | * | trans | 83.7 | 61.7 | 167.4 | -55.1 | -37.6 | 0 | 0 | 0 | 119.1 | F15 | D13-F15 HydrophobicContact CB-CD2 4.17Å; D13-F15 HydrophobicContact CB-CE2 4.39Å; D13-F15 PolarHBondContact O-N 3.35Å | ||
| 14 | D | 38.7 | Very low | 40.8 | Very low | 174 Ų | 174 | 128 Ų | 128 | 93% | 0.93 | 75% | 0.75 | S | S | * | * | trans | -89 | 88.3 | 144.2 | -88.4 | -33.2 | 0 | 0 | 0 | 108.9 | C16 | D14-C16 PolarHBondContact O-N 3.01Š| ||
| 15 | F | 39.3 | Very low | 41.3 | Very low | 170 Ų | 170 | 125.8 Ų | 125.8 | 75% | 0.746 | 74% | 0.74 | S | S | * | * | trans | -53.3 | 104.6 | 164.6 | -95.2 | -104.6 | 0 | 0 | 0 | 109.4 | D13 P17 | D13-F15 HydrophobicContact CB-CD2 4.17Å; D13-F15 HydrophobicContact CB-CE2 4.39Å; D13-F15 PolarHBondContact O-N 3.35Å; F15-P17 WeakPolarHBondContact O-CD 3.33Å | ||
| 16 | C | 50 | Low | 41.8 | Very low | 89 Ų | 89 | 125.1 Ų | 125.1 | 60% | 0.601 | 74% | 0.737 | S | S | * | * | trans | -82.3 | 105.5 | 164.5 | -160.3 | 0 | 0 | 0 | 0 | 107.9 | D14 N18 | D14-C16 PolarHBondContact O-N 3.01Å; C16-N18 PolarHBondContact O-N 3.16Å | ||
| 17 | P | 48.9 | Very low | 42.7 | Very low | 121 Ų | 121 | 121.3 Ų | 121.3 | 79% | 0.786 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.5 | 9.2 | -169.8 | -7.9 | 27.1 | 0 | 0 | 0 | 113.1 | F15 | F15-P17 WeakPolarHBondContact O-CD 3.33Š|
| 18 | N | 44.1 | Very low | 44 | Very low | 132 Ų | 132 | 121.6 Ų | 121.6 | 71% | 0.706 | 71% | 0.712 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -137.3 | 32.6 | -171 | -148 | 15.3 | 0 | 0 | 0 | 113.8 | C16 S20 | C16-N18 PolarHBondContact O-N 3.16Å; N18-S20 PolarHBondContact O-N 2.81Å |
| 19 | C | 52.9 | Low | 46.1 | Very low | 107 Ų | 107 | 121.3 Ų | 121.3 | 72% | 0.723 | 71% | 0.706 | S | S | * | * | trans | -83.8 | 38.9 | 165.8 | -72.3 | 0 | 0 | 0 | 0 | 112 | ||||
| 20 | S | 50.2 | Low | 48.5 | Very low | 105 Ų | 105 | 117.8 Ų | 117.8 | 73% | 0.734 | 69% | 0.691 | S | S | * | * | trans | -125.1 | 43.4 | -179.7 | -47.7 | 0 | 0 | 0 | 0 | 112.1 | N18 | N18-S20 PolarHBondContact O-N 2.81Š| ||
| 21 | S | 42.1 | Very low | 50.7 | Low | 101 Ų | 101 | 115 Ų | 115 | 71% | 0.706 | 68% | 0.679 | S | S | * | * | trans | -122 | 66.8 | 154.2 | 65.5 | 0 | 0 | 0 | 0 | 109 | A23 | S21-A23 PolarHBondContact O-N 3.41Š| ||
| 22 | S | 44.5 | Very low | 52.8 | Low | 94 Ų | 94 | 112.2 Ų | 112.2 | 66% | 0.657 | 66% | 0.662 | S | S | * | * | trans | -66.6 | 67.2 | 148.7 | 58.4 | 0 | 0 | 0 | 0 | 108.4 | Q24 | S22-Q24 PolarHBondContact O-N 3.26Š| ||
| 23 | A | 40.7 | Very low | 54.7 | Low | 95 Ų | 95 | 111.7 Ų | 111.7 | 79% | 0.785 | 66% | 0.656 | S | S | * | * | trans | -72.8 | 68.2 | 148.2 | 0 | 0 | 0 | 0 | 0 | 105.4 | S21 S25 | S21-A23 PolarHBondContact O-N 3.41Å; A23-S25 PolarHBondContact O-N 2.98Å | ||
| 24 | Q | 41.7 | Very low | 56.9 | Low | 148 Ų | 148 | 108.5 Ų | 108.5 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | trans | -55.2 | 131.9 | 175.3 | -96.4 | 171.6 | -22.6 | 0 | 0 | 107.7 | S22 E26 | S22-Q24 PolarHBondContact O-N 3.26Å; Q24-E26 PolarHBondContact O-N 3.09Å | ||
| 25 | S | 44.9 | Very low | 59.1 | Low | 77 Ų | 77 | 103.5 Ų | 103.5 | 54% | 0.538 | 62% | 0.62 | S | S | . | * | trans | -63.7 | 49.2 | 177.1 | -149.6 | 0 | 0 | 0 | 0 | 112.3 | A23 V27 H28 | A23-S25 PolarHBondContact O-N 2.98Å; S25-V27 PolarHBondContact O-N 3Å; S25-H28 PolarHBondContact O-N 3.31Å; S25-H28 PolarHBondContact OG-CD2 2.85Å | ||
| 26 | E | 48.8 | Very low | 61.3 | Low | 153 Ų | 153 | 97 Ų | 97 | 72% | 0.715 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -65.1 | -21.6 | 178.5 | -77.7 | -164.4 | 146 | 0 | 0 | 111.9 | Q24 H28 | Q24-E26 PolarHBondContact O-N 3.09Å; E26-H28 VanDerWaalsContact C-N 3.31Å; E26-H28 PolarHBondContact O-N 3.1Å |
| 27 | V | 51.3 | Low | 63.1 | Low | 89 Ų | 89 | 95.3 Ų | 95.3 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -78.7 | -10.3 | 178.5 | -176.6 | 0 | 0 | 0 | 0 | 112.5 | S25 K31 | S25-V27 PolarHBondContact O-N 3Å; V27-K31 HydrophobicContact CG1-CD 3.88Å; V27-K31 HydrophobicContact CG1-CG 4.41Å; V27-K31 VanDerWaalsContact CG1-NZ 3.29Å; V27-K31 WeakPolarHBondContact O-CB 3.27Å; V27-K31 WeakPolarHBondContact O-CD 3.36Å; V27-K31 WeakPolarHBondContact O-CG 3.32Å |
| 28 | H | 64.8 | Low | 65 | Low | 127 Ų | 127 | 94.3 Ų | 94.3 | 59% | 0.588 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -89.5 | -38.2 | -179.1 | -89.6 | -89.1 | 0 | 0 | 0 | 114.3 | S25 E26 A32 | S25-H28 PolarHBondContact O-N 3.31Å; S25-H28 PolarHBondContact OG-CD2 2.85Å; E26-H28 VanDerWaalsContact C-N 3.31Å; E26-H28 PolarHBondContact O-N 3.1Å; H28-A32 VanDerWaalsContact O-CB 3.32Å; H28-A32 WeakPolarHBondContact O-CB 3.47Å; H28-A32 PolarHBondContact O-N 3.2Å |
| 29 | V | 77.8 | Confident | 67 | Low | 103 Ų | 103 | 88.8 Ų | 88.8 | 62% | 0.624 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -72.9 | -45.9 | -178.9 | -177.6 | 0 | 0 | 0 | 0 | 110.8 | K31 A32 V33 | V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 PolarHBondContact O-N 2.94Å; V29-A32 PolarHBondContact O-N 2.96Å; V29-V33 HydrophobicContact CG1-CG2 4.22Å; V29-V33 WeakPolarHBondContact O-CB 3.49Å; V29-V33 VanDerWaalsContact O-CG2 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.4Å; V29-V33 PolarHBondContact O-N 3.37Å |
| 30 | A | 81.9 | Confident | 68.7 | Low | 66 Ų | 66 | 87.5 Ų | 87.5 | 55% | 0.545 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61 | -39.9 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112 | A34 | A30-A34 WeakPolarHBondContact O-CB 3.17Å; A30-A34 PolarHBondContact O-N 2.99Å |
| 31 | K | 80.4 | Confident | 70.6 | Confident | 135 Ų | 135 | 87.2 Ų | 87.2 | 59% | 0.587 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -65.6 | -44.3 | 174.3 | -77.3 | -179.3 | -178.1 | 170 | 0 | 112.4 | V27 V29 A34 L35 | V27-K31 HydrophobicContact CG1-CD 3.88Å; V27-K31 HydrophobicContact CG1-CG 4.41Å; V27-K31 VanDerWaalsContact CG1-NZ 3.29Å; V27-K31 WeakPolarHBondContact O-CB 3.27Å; V27-K31 WeakPolarHBondContact O-CD 3.36Å; V27-K31 WeakPolarHBondContact O-CG 3.32Å; V29-K31 VanDerWaalsContact C-N 3.31Å; V29-K31 PolarHBondContact O-N 2.94Å; K31-A34 PolarHBondContact O-N 3.04Å; K31-L35 VanDerWaalsContact O-CB 3.23Å; K31-L35 WeakPolarHBondContact O-CB 3.3Å; K31-L35 PolarHBondContact O-N 2.94Å |
| 32 | A | 79.4 | Confident | 72.6 | Confident | 43 Ų | 43 | 83.7 Ų | 83.7 | 36% | 0.355 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | H28 V29 L35 A36 | H28-A32 VanDerWaalsContact O-CB 3.32Å; H28-A32 WeakPolarHBondContact O-CB 3.47Å; H28-A32 PolarHBondContact O-N 3.2Å; V29-A32 PolarHBondContact O-N 2.96Å; A32-L35 PolarHBondContact O-N 2.66Å; A32-A36 VanDerWaalsContact O-CB 3.26Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 2.85Å |
| 33 | V | 85.4 | Confident | 74.8 | Confident | 94 Ų | 94 | 80.6 Ų | 80.6 | 57% | 0.57 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.9 | -44.3 | 175.7 | 172.8 | 0 | 0 | 0 | 0 | 110.9 | V29 A36 A37 | V29-V33 HydrophobicContact CG1-CG2 4.22Å; V29-V33 WeakPolarHBondContact O-CB 3.49Å; V29-V33 VanDerWaalsContact O-CG2 3.27Å; V29-V33 WeakPolarHBondContact O-CG2 3.4Å; V29-V33 PolarHBondContact O-N 3.37Å; V33-A36 PolarHBondContact O-N 3.43Å; V33-A37 WeakPolarHBondContact O-CB 3.33Å; V33-A37 PolarHBondContact O-N 3.41Å |
| 34 | A | 86.9 | Confident | 77.1 | Confident | 55 Ų | 55 | 80.8 Ų | 80.8 | 46% | 0.455 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -62.7 | -44.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | A30 K31 A37 V38 | A30-A34 WeakPolarHBondContact O-CB 3.17Å; A30-A34 PolarHBondContact O-N 2.99Å; K31-A34 PolarHBondContact O-N 3.04Å; A34-A37 PolarHBondContact O-N 3.25Å; A34-V38 WeakPolarHBondContact O-CG2 3.33Å; A34-V38 PolarHBondContact O-N 3.44Å |
| 35 | L | 84.9 | Confident | 79.4 | Confident | 70 Ų | 70 | 78 Ų | 78 | 37% | 0.366 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 176.7 | -178.9 | 135 | 0 | 0 | 0 | 111.1 | K31 A32 A37 V38 L39 E93 | K31-L35 VanDerWaalsContact O-CB 3.23Å; K31-L35 WeakPolarHBondContact O-CB 3.3Å; K31-L35 PolarHBondContact O-N 2.94Å; A32-L35 PolarHBondContact O-N 2.66Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.29Å; L35-V38 PolarHBondContact O-N 3.28Å; L35-L39 HydrophobicContact CD2-CD1 3.56Å; L35-L39 HydrophobicContact CD2-CG 4.4Å; L35-L39 HydrophobicContact CG-CD1 4.16Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 VanDerWaalsContact O-CG 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.3Å; L35-E93 HydrophobicContact CD2-CG 3.89Å |
| 36 | A | 85.8 | Confident | 81.5 | Confident | 33 Ų | 33 | 74.3 Ų | 74.3 | 27% | 0.273 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -59.3 | -42.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | A32 V33 L39 V40 | A32-A36 VanDerWaalsContact O-CB 3.26Å; A32-A36 WeakPolarHBondContact O-CB 3.38Å; A32-A36 PolarHBondContact O-N 2.85Å; V33-A36 PolarHBondContact O-N 3.43Å; A36-L39 PolarHBondContact O-N 3.15Å; A36-V40 VanDerWaalsContact O-CG2 3.29Å; A36-V40 WeakPolarHBondContact O-CG2 3.29Å; A36-V40 PolarHBondContact O-N 2.93Å |
| 37 | A | 87.8 | Confident | 83.6 | Confident | 54 Ų | 54 | 68.9 Ų | 68.9 | 45% | 0.446 | 41% | 0.407 | S | S | . | . | H | α-helix | trans | -61.9 | -44.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | V33 A34 L35 V40 V41 | V33-A37 WeakPolarHBondContact O-CB 3.33Å; V33-A37 PolarHBondContact O-N 3.41Å; A34-A37 PolarHBondContact O-N 3.25Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-A37 PolarHBondContact O-N 3.29Å; A37-V40 PolarHBondContact O-N 2.9Å; A37-V41 WeakPolarHBondContact O-CG2 3.28Å; A37-V41 PolarHBondContact O-N 3.36Å |
| 38 | V | 88.4 | Confident | 85.5 | Confident | 100 Ų | 100 | 69.6 Ų | 69.6 | 61% | 0.606 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -61.5 | -44.7 | 176.3 | 170.7 | 0 | 0 | 0 | 0 | 111 | A34 L35 V40 V41 F42 | A34-V38 WeakPolarHBondContact O-CG2 3.33Å; A34-V38 PolarHBondContact O-N 3.44Å; L35-V38 PolarHBondContact O-N 3.28Å; V38-V40 PolarHBondContact O-N 3.43Å; V38-V41 PolarHBondContact O-N 2.98Å; V38-F42 WeakPolarHBondContact O-CB 3.41Å; V38-F42 PolarHBondContact O-N 3.32Å |
| 39 | L | 87.3 | Confident | 86.7 | Confident | 16 Ų | 16 | 63.8 Ų | 63.8 | 8% | 0.084 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -64.7 | -38.8 | 178.4 | -68.5 | 178.1 | 0 | 0 | 0 | 112.1 | L35 A36 F42 L43 A90 E93 W325 | L35-L39 HydrophobicContact CD2-CD1 3.56Å; L35-L39 HydrophobicContact CD2-CG 4.4Å; L35-L39 HydrophobicContact CG-CD1 4.16Å; L35-L39 WeakPolarHBondContact O-CB 3.41Å; L35-L39 VanDerWaalsContact O-CG 3.27Å; L35-L39 WeakPolarHBondContact O-CG 3.38Å; L35-L39 PolarHBondContact O-N 3.3Å; A36-L39 PolarHBondContact O-N 3.15Å; L39-F42 WeakPolarHBondContact O-CB 3.44Å; L39-F42 PolarHBondContact O-N 3.08Å; L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 3.24Å; L39-A90 HydrophobicContact CB-CB 4.06Å; L39-A90 HydrophobicContact CD1-CB 3.9Å; L39-A90 HydrophobicContact CG-CB 4.47Å; L39-E93 HydrophobicContact CD1-CB 4.44Å; L39-W325 HydrophobicContact CD1-CH2 4.15Å; L39-W325 HydrophobicContact CD1-CZ2 4.22Å; L39-W325 HydrophobicContact CD2-CD2 4.29Å; L39-W325 HydrophobicContact CD2-CE3 3.79Å; L39-W325 HydrophobicContact CD2-CH2 3.55Å; L39-W325 HydrophobicContact CD2-CZ2 4.04Å; L39-W325 HydrophobicContact CD2-CZ3 3.41Å; L39-W325 VanDerWaalsContact CD2-CZ3 3.41Å; L39-W325 HydrophobicContact CG-CH2 4.46Å |
| 40 | V | 88.8 | Confident | 87.4 | Confident | 79 Ų | 79 | 58.9 Ų | 58.9 | 48% | 0.479 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 175.1 | 168.9 | 0 | 0 | 0 | 0 | 111.4 | A36 A37 V38 F42 L43 L44 | A36-V40 VanDerWaalsContact O-CG2 3.29Å; A36-V40 WeakPolarHBondContact O-CG2 3.29Å; A36-V40 PolarHBondContact O-N 2.93Å; A37-V40 PolarHBondContact O-N 2.9Å; V38-V40 PolarHBondContact O-N 3.43Å; V40-F42 VanDerWaalsContact C-N 3.25Å; V40-F42 PolarHBondContact O-N 3.21Å; V40-L43 PolarHBondContact O-N 3.37Å; V40-L44 HydrophobicContact CG1-CD1 4.12Å; V40-L44 HydrophobicContact CG1-CG 4.42Å; V40-L44 WeakPolarHBondContact O-CG 3.45Å; V40-L44 PolarHBondContact O-N 3.06Å |
| 41 | V | 88.4 | Confident | 87.9 | Confident | 100 Ų | 100 | 58.8 Ų | 58.8 | 61% | 0.606 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -59.4 | -42.3 | 175.2 | 171.4 | 0 | 0 | 0 | 0 | 110.6 | A37 V38 L44 F45 | A37-V41 WeakPolarHBondContact O-CG2 3.28Å; A37-V41 PolarHBondContact O-N 3.36Å; V38-V41 PolarHBondContact O-N 2.98Å; V41-L44 PolarHBondContact O-N 3.29Å; V41-F45 WeakPolarHBondContact O-CB 3.37Å; V41-F45 PolarHBondContact O-N 2.97Å |
| 42 | F | 85.4 | Confident | 88.3 | Confident | 26 Ų | 26 | 54.6 Ų | 54.6 | 11% | 0.114 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -61.2 | -45.8 | 177.5 | -174.3 | -112.1 | 0 | 0 | 0 | 112.4 | V38 L39 V40 F45 G46 L86 Y328 L329 C332 | V38-F42 WeakPolarHBondContact O-CB 3.41Å; V38-F42 PolarHBondContact O-N 3.32Å; L39-F42 WeakPolarHBondContact O-CB 3.44Å; L39-F42 PolarHBondContact O-N 3.08Å; V40-F42 VanDerWaalsContact C-N 3.25Å; V40-F42 PolarHBondContact O-N 3.21Å; F42-F45 PolarHBondContact O-N 3.4Å; F42-G46 PolarHBondContact O-N 3.26Å; F42-L86 HydrophobicContact CD1-CD1 4.25Å; F42-L86 HydrophobicContact CE1-CD1 3.7Å; F42-Y328 WeakPolarHBondContact CZ-O 3.42Å; F42-L329 HydrophobicContact CD2-CD2 3.67Å; F42-L329 HydrophobicContact CE2-CB 4.39Å; F42-L329 HydrophobicContact CE2-CD2 3.14Å; F42-L329 HydrophobicContact CE2-CG 4.24Å; F42-L329 HydrophobicContact CZ-CB 4.48Å; F42-L329 HydrophobicContact CZ-CD2 3.68Å; F42-L329 HydrophobicContact CZ-CG 4.43Å; F42-C332 HydrophobicContact CD2-CB 4.2Å; F42-C332 HydrophobicContact CE2-CB 3.43Å; F42-C332 VanDerWaalsContact CE2-CB 3.43Å; F42-C332 WeakPolarHBondContact CE2-SG 3.38Å; F42-C332 HydrophobicContact CZ-CB 4.01Å; F42-C332 WeakPolarHBondContact CZ-SG 3.28Å |
| 43 | L | 89.7 | Confident | 88.7 | Confident | 29 Ų | 29 | 52.5 Ų | 52.5 | 15% | 0.152 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -60.6 | -47.8 | 175.4 | -70.8 | 172.9 | 0 | 0 | 0 | 112.5 | L39 V40 F45 G46 V47 L86 P87 A90 | L39-L43 VanDerWaalsContact O-CG 3.23Å; L39-L43 WeakPolarHBondContact O-CG 3.48Å; L39-L43 PolarHBondContact O-N 3.24Å; V40-L43 PolarHBondContact O-N 3.37Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.96Å; L43-G46 PolarHBondContact O-N 3.4Å; L43-V47 WeakPolarHBondContact O-CB 3.35Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.45Å; L43-L86 HydrophobicContact CD2-CB 3.23Å; L43-L86 HydrophobicContact CD2-CD1 4.19Å; L43-L86 HydrophobicContact CD2-CG 4.35Å; L43-P87 HydrophobicContact CD1-CB 4.36Å; L43-P87 HydrophobicContact CD1-CG 4.45Å; L43-P87 HydrophobicContact CD2-CG 3.94Å; L43-A90 HydrophobicContact CD1-CB 4.22Å |
| 44 | L | 90.1 | Very high | 88.9 | Confident | 100 Ų | 100 | 49.8 Ų | 49.8 | 52% | 0.524 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 178.7 | -71 | 174.7 | 0 | 0 | 0 | 110.9 | V40 V41 L48 | V40-L44 HydrophobicContact CG1-CD1 4.12Å; V40-L44 HydrophobicContact CG1-CG 4.42Å; V40-L44 WeakPolarHBondContact O-CG 3.45Å; V40-L44 PolarHBondContact O-N 3.06Å; V41-L44 PolarHBondContact O-N 3.29Å; L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 VanDerWaalsContact O-CG 3.23Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.22Å |
| 45 | F | 89.2 | Confident | 89 | Confident | 89 Ų | 89 | 50.3 Ų | 50.3 | 39% | 0.39 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -64.3 | -46 | 178.3 | -165.9 | -85.6 | 0 | 0 | 0 | 111.9 | V41 F42 L43 G49 C332 P335 I336 | V41-F45 WeakPolarHBondContact O-CB 3.37Å; V41-F45 PolarHBondContact O-N 2.97Å; F42-F45 PolarHBondContact O-N 3.4Å; L43-F45 VanDerWaalsContact C-N 3.3Å; L43-F45 PolarHBondContact O-N 2.96Å; F45-G49 WeakPolarHBondContact O-CA 3.26Å; F45-G49 PolarHBondContact O-N 2.8Å; F45-C332 HydrophobicContact CD1-CB 3.91Å; F45-C332 WeakPolarHBondContact CE1-O 3.28Å; F45-P335 HydrophobicContact CE1-CB 4.45Å; F45-I336 HydrophobicContact CE1-CD1 3.73Å; F45-I336 HydrophobicContact CE1-CG1 3.59Å; F45-I336 HydrophobicContact CE2-CG1 4.48Å; F45-I336 HydrophobicContact CZ-CD1 3.66Å; F45-I336 HydrophobicContact CZ-CG1 3.34Å |
| 46 | G | 89.3 | Confident | 88.8 | Confident | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -61.1 | -48.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | F42 L43 N50 C332 | F42-G46 PolarHBondContact O-N 3.26Å; L43-G46 PolarHBondContact O-N 3.4Å; G46-N50 WeakPolarHBondContact O-CB 3.33Å; G46-N50 PolarHBondContact O-N 3.05Å; G46-N50 VanDerWaalsContact O-N 3.14Å; G46-N50 PolarHBondContact O-ND2 3.01Å; G46-C332 WeakPolarHBondContact CA-SG 3.47Å |
| 47 | V | 92.5 | Very high | 88.7 | Confident | 39 Ų | 39 | 46.4 Ų | 46.4 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -68.4 | -54.6 | -179 | 173.3 | 0 | 0 | 0 | 0 | 111.3 | L43 G49 N50 I51 L79 | L43-V47 WeakPolarHBondContact O-CB 3.35Å; L43-V47 WeakPolarHBondContact O-CG2 3.4Å; L43-V47 PolarHBondContact O-N 3.45Å; V47-G49 PolarHBondContact O-N 3.46Å; V47-N50 PolarHBondContact O-N 3.45Å; V47-I51 HydrophobicContact CG1-CD1 3.68Å; V47-I51 WeakPolarHBondContact O-CB 3.39Å; V47-I51 WeakPolarHBondContact O-CD1 3.25Å; V47-I51 WeakPolarHBondContact O-CG1 3.27Å; V47-I51 PolarHBondContact O-N 3.45Å; V47-L79 HydrophobicContact CB-CD1 4.41Å; V47-L79 HydrophobicContact CG1-CD1 4.04Å |
| 48 | L | 91.5 | Very high | 88.4 | Confident | 103 Ų | 103 | 48.8 Ų | 48.8 | 54% | 0.539 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -65.6 | -41.7 | -177.2 | -64.2 | 175.2 | 0 | 0 | 0 | 111.5 | L44 I51 L52 | L44-L48 WeakPolarHBondContact O-CB 3.45Å; L44-L48 VanDerWaalsContact O-CG 3.23Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.22Å; L48-I51 PolarHBondContact O-N 2.87Å; L48-L52 WeakPolarHBondContact O-CB 2.9Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.32Å; L48-L52 PolarHBondContact O-N 3.27Å |
| 49 | G | 89.9 | Confident | 87.9 | Confident | 6 Ų | 6 | 48.2 Ų | 48.2 | 6% | 0.062 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -60.2 | -49.2 | 179 | 0 | 0 | 0 | 0 | 0 | 112 | F45 V47 L52 V53 P335 | F45-G49 WeakPolarHBondContact O-CA 3.26Å; F45-G49 PolarHBondContact O-N 2.8Å; V47-G49 PolarHBondContact O-N 3.46Å; G49-L52 WeakPolarHBondContact O-CB 3.32Å; G49-L52 PolarHBondContact O-N 2.71Å; G49-V53 WeakPolarHBondContact O-CG2 3.42Å; G49-V53 PolarHBondContact O-N 2.97Å; G49-P335 VanDerWaalsContact C-CG 3.45Å |
| 50 | N | 92.6 | Very high | 87.1 | Confident | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -70.3 | -34.5 | -179.8 | -73.8 | -61.4 | 0 | 0 | 0 | 112.6 | G46 V47 L52 V53 I54 A75 L79 S331 | G46-N50 WeakPolarHBondContact O-CB 3.33Å; G46-N50 PolarHBondContact O-N 3.05Å; G46-N50 VanDerWaalsContact O-N 3.14Å; G46-N50 PolarHBondContact O-ND2 3.01Å; V47-N50 PolarHBondContact O-N 3.45Å; N50-L52 VanDerWaalsContact C-N 3.35Å; N50-L52 PolarHBondContact O-N 3.5Å; N50-V53 PolarHBondContact O-N 3.21Å; N50-I54 WeakPolarHBondContact O-CG1 3.4Å; N50-I54 PolarHBondContact O-N 3.26Å; N50-A75 HydrophobicContact CB-CB 4.44Å; N50-L79 HydrophobicContact CB-CB 4.07Å; N50-S331 PolarHBondContact ND2-O 3.31Å; N50-S331 VanDerWaalsContact ND2-O 3.11Å |
| 51 | I | 92.2 | Very high | 85.5 | Confident | 63 Ų | 63 | 51.3 Ų | 51.3 | 32% | 0.323 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -59.5 | -45.8 | 170.3 | -71 | 167.4 | 0 | 0 | 0 | 110.8 | V47 L48 V53 I54 L55 L79 | V47-I51 HydrophobicContact CG1-CD1 3.68Å; V47-I51 WeakPolarHBondContact O-CB 3.39Å; V47-I51 WeakPolarHBondContact O-CD1 3.25Å; V47-I51 WeakPolarHBondContact O-CG1 3.27Å; V47-I51 PolarHBondContact O-N 3.45Å; L48-I51 PolarHBondContact O-N 2.87Å; I51-V53 VanDerWaalsContact C-N 3.33Å; I51-V53 PolarHBondContact O-N 3.4Å; I51-I54 PolarHBondContact O-N 3.25Å; I51-L55 HydrophobicContact CG2-CD1 3.75Å; I51-L55 HydrophobicContact CG2-CG 4.16Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 3.36Å; I51-L79 HydrophobicContact CD1-CD1 4.33Å; I51-L79 HydrophobicContact CG1-CD1 3.91Å; I51-L79 HydrophobicContact CG1-CD2 4.03Å |
| 52 | L | 88.7 | Confident | 83.8 | Confident | 47 Ų | 47 | 55.4 Ų | 55.4 | 25% | 0.246 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -61.5 | -40.5 | 177.8 | -73 | 171.9 | 0 | 0 | 0 | 111.9 | L48 G49 N50 L55 S56 F349 M352 | L48-L52 WeakPolarHBondContact O-CB 2.9Å; L48-L52 VanDerWaalsContact O-CG 3.26Å; L48-L52 WeakPolarHBondContact O-CG 3.32Å; L48-L52 PolarHBondContact O-N 3.27Å; G49-L52 WeakPolarHBondContact O-CB 3.32Å; G49-L52 PolarHBondContact O-N 2.71Å; N50-L52 VanDerWaalsContact C-N 3.35Å; N50-L52 PolarHBondContact O-N 3.5Å; L52-L55 PolarHBondContact O-N 3.07Å; L52-S56 VanDerWaalsContact O-CB 3.27Å; L52-S56 WeakPolarHBondContact O-CB 3.49Å; L52-S56 PolarHBondContact O-N 3.48Å; L52-S56 PolarHBondContact O-OG 3.2Å; L52-F349 HydrophobicContact CB-CE1 3.92Å; L52-F349 HydrophobicContact CB-CE2 4.43Å; L52-F349 HydrophobicContact CB-CZ 3.78Å; L52-F349 HydrophobicContact CD1-CE1 4.21Å; L52-M352 HydrophobicContact CD2-CE 3.78Å |
| 53 | V | 88.7 | Confident | 82.3 | Confident | 0 Ų | 0 | 59.7 Ų | 59.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60.1 | -49.7 | 174.6 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | G49 N50 I51 L55 S56 V57 I71 A75 P335 Y338 F349 | G49-V53 WeakPolarHBondContact O-CG2 3.42Å; G49-V53 PolarHBondContact O-N 2.97Å; N50-V53 PolarHBondContact O-N 3.21Å; I51-V53 VanDerWaalsContact C-N 3.33Å; I51-V53 PolarHBondContact O-N 3.4Å; V53-L55 PolarHBondContact O-N 2.93Å; V53-S56 PolarHBondContact O-N 3.36Å; V53-S56 PolarHBondContact O-OG 3.34Å; V53-V57 PolarHBondContact O-N 3.18Å; V53-I71 HydrophobicContact CG1-CG2 3.87Å; V53-A75 HydrophobicContact CB-CB 3.91Å; V53-A75 HydrophobicContact CG1-CB 3.66Å; V53-P335 HydrophobicContact CG2-CB 4.15Å; V53-P335 HydrophobicContact CG2-CG 4.31Å; V53-Y338 HydrophobicContact CG1-CD2 4.23Å; V53-Y338 HydrophobicContact CG1-CE2 4.34Å; V53-Y338 HydrophobicContact CG2-CD2 3.95Å; V53-Y338 HydrophobicContact CG2-CE2 4.45Å; V53-F349 HydrophobicContact CG2-CE2 4.34Å; V53-F349 HydrophobicContact CG2-CZ 3.82Å |
| 54 | I | 89.6 | Confident | 81 | Confident | 36 Ų | 36 | 63.3 Ų | 63.3 | 19% | 0.185 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.5 | -50.5 | 179.1 | -66.4 | 166.5 | 0 | 0 | 0 | 110.7 | N50 I51 S56 V57 L58 A75 A76 L79 | N50-I54 WeakPolarHBondContact O-CG1 3.4Å; N50-I54 PolarHBondContact O-N 3.26Å; I51-I54 PolarHBondContact O-N 3.25Å; I54-S56 VanDerWaalsContact C-N 3.3Å; I54-S56 PolarHBondContact O-N 2.88Å; I54-V57 PolarHBondContact O-N 2.59Å; I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 HydrophobicContact CG2-CG 4.27Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 2.67Å; I54-A75 HydrophobicContact CD1-CB 4.36Å; I54-A75 HydrophobicContact CG1-CB 3.78Å; I54-A76 HydrophobicContact CD1-CB 4.42Å; I54-L79 HydrophobicContact CD1-CD2 3.83Å |
| 55 | L | 87.4 | Confident | 80.2 | Confident | 66 Ų | 66 | 60.7 Ų | 60.7 | 35% | 0.346 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.5 | -38.9 | 179.1 | -72.2 | 177.6 | 0 | 0 | 0 | 112.2 | I51 L52 V53 V57 L58 L59 M352 | I51-L55 HydrophobicContact CG2-CD1 3.75Å; I51-L55 HydrophobicContact CG2-CG 4.16Å; I51-L55 WeakPolarHBondContact O-CB 3.42Å; I51-L55 WeakPolarHBondContact O-CG 3.46Å; I51-L55 PolarHBondContact O-N 3.36Å; L52-L55 PolarHBondContact O-N 3.07Å; V53-L55 PolarHBondContact O-N 2.93Å; L55-V57 VanDerWaalsContact C-N 3.26Å; L55-V57 PolarHBondContact O-N 3.3Å; L55-L58 PolarHBondContact O-N 3.43Å; L55-L59 HydrophobicContact CB-CD1 4.35Å; L55-L59 VanDerWaalsContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 VanDerWaalsContact O-CG 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.29Å; L55-L59 PolarHBondContact O-N 3.38Å; L55-M352 HydrophobicContact CB-CE 3.46Å; L55-M352 VanDerWaalsContact CB-CE 3.46Å; L55-M352 HydrophobicContact CB-SD 4.32Å; L55-M352 HydrophobicContact CD1-CE 3.79Å; L55-M352 HydrophobicContact CG-CE 4.29Å |
| 56 | S | 82.3 | Confident | 79.8 | Confident | 5 Ų | 5 | 57.3 Ų | 57.3 | 4% | 0.035 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61.1 | -35.8 | 178.7 | 75.1 | 0 | 0 | 0 | 0 | 112.4 | L52 V53 I54 H60 F345 | L52-S56 VanDerWaalsContact O-CB 3.27Å; L52-S56 WeakPolarHBondContact O-CB 3.49Å; L52-S56 PolarHBondContact O-N 3.48Å; L52-S56 PolarHBondContact O-OG 3.2Å; V53-S56 PolarHBondContact O-N 3.36Å; V53-S56 PolarHBondContact O-OG 3.34Å; I54-S56 VanDerWaalsContact C-N 3.3Å; I54-S56 PolarHBondContact O-N 2.88Å; S56-H60 WeakPolarHBondContact O-CB 3.45Å; S56-H60 PolarHBondContact O-N 3.41Å; S56-F345 WeakPolarHBondContact OG-CE1 3.36Å |
| 57 | V | 82 | Confident | 79.4 | Confident | 16 Ų | 16 | 57.8 Ų | 57.8 | 10% | 0.097 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -76.2 | -38.8 | 176.2 | 176.5 | 0 | 0 | 0 | 0 | 111.6 | V53 I54 L55 H68 A72 F345 | V53-V57 PolarHBondContact O-N 3.18Å; I54-V57 PolarHBondContact O-N 2.59Å; L55-V57 VanDerWaalsContact C-N 3.26Å; L55-V57 PolarHBondContact O-N 3.3Å; V57-H68 HydrophobicContact CG1-CB 4.05Å; V57-H68 HydrophobicContact CG2-CB 4.43Å; V57-A72 HydrophobicContact CB-CB 4.31Å; V57-A72 HydrophobicContact CG1-CB 4.13Å; V57-A72 HydrophobicContact CG2-CB 4.35Å; V57-F345 HydrophobicContact CG2-CE1 4.15Å; V57-F345 HydrophobicContact CG2-CZ 4.27Å |
| 58 | L | 82.8 | Confident | 79 | Confident | 105 Ų | 105 | 57.7 Ų | 57.7 | 55% | 0.55 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -70.1 | -41.6 | -178.9 | -67.9 | 178 | 0 | 0 | 0 | 112.7 | I54 L55 | I54-L58 HydrophobicContact CG2-CD1 3.78Å; I54-L58 HydrophobicContact CG2-CG 4.27Å; I54-L58 WeakPolarHBondContact O-CG 3.38Å; I54-L58 PolarHBondContact O-N 2.67Å; L55-L58 PolarHBondContact O-N 3.43Å |
| 59 | L | 78.3 | Confident | 78.7 | Confident | 87 Ų | 87 | 58.5 Ų | 58.5 | 46% | 0.455 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -79.2 | -32.7 | -175.2 | -64.3 | 173.8 | 0 | 0 | 0 | 112.8 | L55 H61 M352 | L55-L59 HydrophobicContact CB-CD1 4.35Å; L55-L59 VanDerWaalsContact O-CB 3.32Å; L55-L59 WeakPolarHBondContact O-CB 3.4Å; L55-L59 VanDerWaalsContact O-CG 3.25Å; L55-L59 WeakPolarHBondContact O-CG 3.29Å; L55-L59 PolarHBondContact O-N 3.38Å; L59-H61 PolarHBondContact O-N 3.27Å; L59-M352 HydrophobicContact CD1-CE 4.14Å; L59-M352 HydrophobicContact CD1-SD 4.35Å |
| 60 | H | 70.7 | Confident | 78.7 | Confident | 36 Ų | 36 | 58.8 Ų | 58.8 | 17% | 0.167 | 28% | 0.279 | C | S | . | . | trans | -92.5 | 83.2 | 179.7 | -79.1 | -71.7 | 0 | 0 | 0 | 112.9 | S56 Q62 | S56-H60 WeakPolarHBondContact O-CB 3.45Å; S56-H60 PolarHBondContact O-N 3.41Å; H60-Q62 VanDerWaalsContact C-N 3.29Å; H60-Q62 PolarHBondContact O-N 3.35Å | ||
| 61 | H | 54.4 | Low | 78.5 | Confident | 124 Ų | 124 | 59.6 Ų | 59.6 | 57% | 0.574 | 28% | 0.284 | S | S | * | . | G | 310 helix | trans | -65.5 | -22.5 | -175.1 | -137.8 | -83.9 | 0 | 0 | 0 | 115.3 | L59 W63 R64 | L59-H61 PolarHBondContact O-N 3.27Å; H61-W63 PolarHBondContact O-N 2.86Å; H61-R64 PolarHBondContact CD2-NH2 3.02Å; H61-R64 VanDerWaalsContact CE1-CZ 3.45Å; H61-R64 PolarHBondContact CE1-NH1 2.88Å; H61-R64 PolarHBondContact NE2-NH1 3.21Å; H61-R64 PolarHBondContact NE2-NH2 3.32Å |
| 62 | Q | 53.3 | Low | 78.4 | Confident | 187 Ų | 187 | 57.7 Ų | 57.7 | 87% | 0.874 | 28% | 0.277 | S | S | * | . | G | 310 helix | trans | -76.2 | -1 | -175.9 | -63.1 | -162 | -15.5 | 0 | 0 | 114.4 | H60 | H60-Q62 VanDerWaalsContact C-N 3.29Å; H60-Q62 PolarHBondContact O-N 3.35Å |
| 63 | W | 53.1 | Low | 78.6 | Confident | 116 Ų | 116 | 56.4 Ų | 56.4 | 44% | 0.439 | 27% | 0.27 | S | S | . | . | G | 310 helix | trans | -126 | 14.9 | -167.8 | -53.9 | 69.2 | 0 | 0 | 0 | 113.1 | H61 S65 H68 E344 | H61-W63 PolarHBondContact O-N 2.86Å; W63-S65 PolarHBondContact O-N 3.04Å; W63-H68 PolarHBondContact O-CE1 3.09Å; W63-H68 PolarHBondContact O-ND1 3.03Å; W63-E344 HydrophobicContact CE3-CB 4.04Å; W63-E344 HydrophobicContact CE3-CG 3.67Å; W63-E344 HydrophobicContact CH2-CB 4.23Å; W63-E344 HydrophobicContact CH2-CG 3.66Å; W63-E344 HydrophobicContact CZ3-CB 3.75Å; W63-E344 HydrophobicContact CZ3-CG 3.02Å |
| 64 | R | 62.4 | Low | 78.8 | Confident | 105 Ų | 105 | 56.4 Ų | 56.4 | 40% | 0.396 | 27% | 0.27 | S | S | . | . | trans | -71.2 | 64.9 | -175 | -68.5 | -177.9 | 172.8 | 177.8 | 4 | 113.8 | H61 Y69 | H61-R64 PolarHBondContact CD2-NH2 3.02Å; H61-R64 VanDerWaalsContact CE1-CZ 3.45Å; H61-R64 PolarHBondContact CE1-NH1 2.88Å; H61-R64 PolarHBondContact NE2-NH1 3.21Å; H61-R64 PolarHBondContact NE2-NH2 3.32Å; R64-Y69 HydrophobicContact CB-CE2 4.21Å | ||
| 65 | S | 73.4 | Confident | 79 | Confident | 45 Ų | 45 | 54.7 Ų | 54.7 | 32% | 0.315 | 26% | 0.262 | S | S | . | . | trans | -75.7 | 157 | 161.9 | 77.1 | 0 | 0 | 0 | 0 | 110.1 | W63 T67 H68 | W63-S65 PolarHBondContact O-N 3.04Å; S65-T67 PolarHBondContact O-N 3.17Å; S65-T67 VanDerWaalsContact O-N 3.12Å; S65-H68 PolarHBondContact O-N 3.38Å; S65-H68 PolarHBondContact OG-ND1 2.91Å | ||
| 66 | V | 80.2 | Confident | 79.3 | Confident | 17 Ų | 17 | 53.5 Ų | 53.5 | 10% | 0.103 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -53.9 | -33.5 | 177 | -178 | 0 | 0 | 0 | 0 | 111.8 | H68 Y69 F70 A144 | V66-H68 PolarHBondContact O-N 3.03Å; V66-Y69 WeakPolarHBondContact O-CB 3.47Å; V66-Y69 PolarHBondContact O-N 3.1Å; V66-Y69 VanDerWaalsContact O-N 3.16Å; V66-F70 HydrophobicContact CG1-CD2 4.17Å; V66-F70 HydrophobicContact CG1-CE1 4.43Å; V66-F70 HydrophobicContact CG1-CE2 3.49Å; V66-F70 VanDerWaalsContact CG1-CE2 3.49Å; V66-F70 HydrophobicContact CG1-CZ 3.64Å; V66-F70 PolarHBondContact O-N 3.29Å; V66-F70 VanDerWaalsContact O-N 3.16Å; V66-A144 HydrophobicContact CB-CB 4.4Å; V66-A144 HydrophobicContact CG2-CB 3.93Å; V66-A144 WeakPolarHBondContact CG2-O 3.28Å |
| 67 | T | 82 | Confident | 79.9 | Confident | 11 Ų | 11 | 53.3 Ų | 53.3 | 7% | 0.067 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -59.7 | -40.3 | 175.9 | -40.1 | 0 | 0 | 0 | 0 | 113.5 | S65 Y69 F70 I71 D129 R130 Y140 | S65-T67 PolarHBondContact O-N 3.17Å; S65-T67 VanDerWaalsContact O-N 3.12Å; T67-Y69 VanDerWaalsContact C-N 3.27Å; T67-Y69 PolarHBondContact O-N 2.73Å; T67-F70 PolarHBondContact O-N 3.23Å; T67-F70 VanDerWaalsContact O-N 3.17Å; T67-I71 HydrophobicContact CG2-CD1 4.23Å; T67-I71 WeakPolarHBondContact O-CG1 3.47Å; T67-I71 PolarHBondContact O-N 2.78Å; T67-D129 PolarHBondContact OG1-OD2 2.9Å; T67-R130 PolarHBondContact OG1-NH2 3.2Å; T67-Y140 PolarHBondContact OG1-OH 3.34Å |
| 68 | H | 83.5 | Confident | 80.5 | Confident | 37 Ų | 37 | 52.6 Ų | 52.6 | 17% | 0.171 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -31.9 | 179 | -65.8 | 89.4 | 0 | 0 | 0 | 111.3 | V57 W63 S65 V66 I71 A72 F345 | V57-H68 HydrophobicContact CG1-CB 4.05Å; V57-H68 HydrophobicContact CG2-CB 4.43Å; W63-H68 PolarHBondContact O-CE1 3.09Å; W63-H68 PolarHBondContact O-ND1 3.03Å; S65-H68 PolarHBondContact O-N 3.38Å; S65-H68 PolarHBondContact OG-ND1 2.91Å; V66-H68 PolarHBondContact O-N 3.03Å; H68-I71 PolarHBondContact O-N 3.43Å; H68-A72 WeakPolarHBondContact O-CB 3.41Å; H68-A72 PolarHBondContact O-N 2.87Å; H68-F345 AromaticContact CD2-CZ 3.89Å |
| 69 | Y | 86.1 | Confident | 81.1 | Confident | 119 Ų | 119 | 49.5 Ų | 49.5 | 47% | 0.467 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -65.1 | -40.8 | 171 | -72.3 | -78 | 0 | 0 | 0 | 112.1 | R64 V66 T67 A72 N73 | R64-Y69 HydrophobicContact CB-CE2 4.21Å; V66-Y69 WeakPolarHBondContact O-CB 3.47Å; V66-Y69 PolarHBondContact O-N 3.1Å; V66-Y69 VanDerWaalsContact O-N 3.16Å; T67-Y69 VanDerWaalsContact C-N 3.27Å; T67-Y69 PolarHBondContact O-N 2.73Å; Y69-A72 PolarHBondContact O-N 3.29Å; Y69-N73 PolarHBondContact O-N 3.1Å |
| 70 | F | 89.5 | Confident | 81.9 | Confident | 12 Ų | 12 | 48.1 Ų | 48.1 | 5% | 0.053 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67.2 | -38.4 | 175.6 | -62.8 | -41.5 | 0 | 0 | 0 | 112.7 | V66 T67 A72 N73 L74 V125 I126 D129 A152 V153 | V66-F70 HydrophobicContact CG1-CD2 4.17Å; V66-F70 HydrophobicContact CG1-CE1 4.43Å; V66-F70 HydrophobicContact CG1-CE2 3.49Å; V66-F70 VanDerWaalsContact CG1-CE2 3.49Å; V66-F70 HydrophobicContact CG1-CZ 3.64Å; V66-F70 PolarHBondContact O-N 3.29Å; V66-F70 VanDerWaalsContact O-N 3.16Å; T67-F70 PolarHBondContact O-N 3.23Å; T67-F70 VanDerWaalsContact O-N 3.17Å; F70-A72 VanDerWaalsContact C-N 3.35Å; F70-N73 PolarHBondContact O-N 3.26Å; F70-L74 PolarHBondContact O-N 2.84Å; F70-V125 HydrophobicContact CD1-CG1 3.81Å; F70-V125 HydrophobicContact CD2-CG1 3.98Å; F70-V125 HydrophobicContact CE1-CG1 3.51Å; F70-V125 HydrophobicContact CE2-CG1 3.66Å; F70-V125 HydrophobicContact CG-CG1 4.05Å; F70-V125 HydrophobicContact CZ-CG1 3.43Å; F70-V125 VanDerWaalsContact CZ-CG1 3.43Å; F70-I126 HydrophobicContact CB-CD1 4.29Å; F70-I126 HydrophobicContact CB-CG1 3.63Å; F70-D129 HydrophobicContact CD2-CB 4.14Å; F70-D129 HydrophobicContact CE2-CB 3.96Å; F70-A152 HydrophobicContact CE1-CB 4.37Å; F70-V153 HydrophobicContact CD1-CG2 4Å; F70-V153 HydrophobicContact CE1-CG2 4.05Å |
| 71 | I | 88.7 | Confident | 83.1 | Confident | 18 Ų | 18 | 46.5 Ų | 46.5 | 9% | 0.092 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -64 | -41.9 | 173.9 | -66.7 | 167.7 | 0 | 0 | 0 | 110.6 | V53 T67 H68 L74 A75 Y338 F345 | V53-I71 HydrophobicContact CG1-CG2 3.87Å; T67-I71 HydrophobicContact CG2-CD1 4.23Å; T67-I71 WeakPolarHBondContact O-CG1 3.47Å; T67-I71 PolarHBondContact O-N 2.78Å; H68-I71 PolarHBondContact O-N 3.43Å; I71-L74 PolarHBondContact O-N 3.4Å; I71-A75 PolarHBondContact O-N 2.82Å; I71-Y338 HydrophobicContact CG2-CD2 4.27Å; I71-Y338 HydrophobicContact CG2-CE1 4.33Å; I71-Y338 HydrophobicContact CG2-CE2 3.93Å; I71-F345 HydrophobicContact CD1-CE2 3.93Å; I71-F345 HydrophobicContact CD1-CZ 4.05Å; I71-F345 HydrophobicContact CG2-CZ 3.95Å |
| 72 | A | 89.6 | Confident | 84.9 | Confident | 22 Ų | 22 | 40.6 Ų | 40.6 | 18% | 0.182 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -64.6 | -38.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | V57 H68 Y69 F70 A75 A76 | V57-A72 HydrophobicContact CB-CB 4.31Å; V57-A72 HydrophobicContact CG1-CB 4.13Å; V57-A72 HydrophobicContact CG2-CB 4.35Å; H68-A72 WeakPolarHBondContact O-CB 3.41Å; H68-A72 PolarHBondContact O-N 2.87Å; Y69-A72 PolarHBondContact O-N 3.29Å; F70-A72 VanDerWaalsContact C-N 3.35Å; A72-A75 PolarHBondContact O-N 3.03Å; A72-A76 WeakPolarHBondContact O-CB 2.95Å; A72-A76 PolarHBondContact O-N 3.41Å |
| 73 | N | 93.3 | Very high | 86.8 | Confident | 20 Ų | 20 | 34.5 Ų | 34.5 | 11% | 0.107 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -63.1 | -43.3 | 174.2 | -176.6 | 74 | 0 | 0 | 0 | 112 | Y69 F70 A76 A77 S122 V153 W157 | Y69-N73 PolarHBondContact O-N 3.1Å; F70-N73 PolarHBondContact O-N 3.26Å; N73-A76 WeakPolarHBondContact O-CB 3.4Å; N73-A76 PolarHBondContact O-N 3.41Å; N73-A77 PolarHBondContact O-N 3.29Å; N73-S122 PolarHBondContact ND2-OG 3.19Å; N73-V153 HydrophobicContact CB-CG2 4.31Å; N73-V153 VanDerWaalsContact OD1-CG1 3.22Å; N73-V153 WeakPolarHBondContact OD1-CG1 3.34Å; N73-W157 PolarHBondContact OD1-NE1 3.29Å |
| 74 | L | 92.6 | Very high | 88.7 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 175.2 | 177.3 | 55.2 | 0 | 0 | 0 | 111.1 | F70 I71 A76 A77 D78 L123 I126 Y338 | F70-L74 PolarHBondContact O-N 2.84Å; I71-L74 PolarHBondContact O-N 3.4Å; L74-A76 VanDerWaalsContact C-N 3.27Å; L74-A76 PolarHBondContact O-N 3.32Å; L74-A77 PolarHBondContact O-N 3.46Å; L74-D78 PolarHBondContact O-N 3.29Å; L74-L123 HydrophobicContact CD2-CD2 3.61Å; L74-L123 HydrophobicContact CD2-CG 4.12Å; L74-I126 HydrophobicContact CB-CD1 4.47Å; L74-I126 HydrophobicContact CD2-CD1 3.88Å; L74-Y338 WeakPolarHBondContact CD2-OH 3.3Å |
| 75 | A | 93.3 | Very high | 90.2 | Very high | 1 Ų | 1 | 25.2 Ų | 25.2 | 1% | 0.008 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -62.6 | -32.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113 | N50 V53 I54 I71 A72 L79 | N50-A75 HydrophobicContact CB-CB 4.44Å; V53-A75 HydrophobicContact CB-CB 3.91Å; V53-A75 HydrophobicContact CG1-CB 3.66Å; I54-A75 HydrophobicContact CD1-CB 4.36Å; I54-A75 HydrophobicContact CG1-CB 3.78Å; I71-A75 PolarHBondContact O-N 2.82Å; A72-A75 PolarHBondContact O-N 3.03Å; A75-L79 WeakPolarHBondContact O-CB 3.43Å; A75-L79 PolarHBondContact O-N 2.91Å |
| 76 | A | 94.4 | Very high | 91.1 | Very high | 41 Ų | 41 | 23 Ų | 23 | 34% | 0.339 | 13% | 0.131 | S | C | . | . | H | α-helix | trans | -68.8 | -40.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | I54 A72 N73 L74 L79 L80 | I54-A76 HydrophobicContact CD1-CB 4.42Å; A72-A76 WeakPolarHBondContact O-CB 2.95Å; A72-A76 PolarHBondContact O-N 3.41Å; N73-A76 WeakPolarHBondContact O-CB 3.4Å; N73-A76 PolarHBondContact O-N 3.41Å; L74-A76 VanDerWaalsContact C-N 3.27Å; L74-A76 PolarHBondContact O-N 3.32Å; A76-L79 PolarHBondContact O-N 2.87Å; A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 PolarHBondContact O-N 3.08Å |
| 77 | A | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -65 | -44.9 | 174 | 0 | 0 | 0 | 0 | 0 | 111.6 | N73 L74 L79 L80 L81 A118 S119 W157 | N73-A77 PolarHBondContact O-N 3.29Å; L74-A77 PolarHBondContact O-N 3.46Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L79 PolarHBondContact O-N 3.45Å; A77-L80 PolarHBondContact O-N 3.2Å; A77-L81 PolarHBondContact O-N 3.48Å; A77-A118 HydrophobicContact CB-CB 4.12Å; A77-S119 WeakPolarHBondContact CB-OG 3.35Å; A77-W157 HydrophobicContact CB-CH2 4.2Å; A77-W157 HydrophobicContact CB-CZ2 4.19Å |
| 78 | D | 94.7 | Very high | 92.2 | Very high | 2 Ų | 2 | 26.1 Ų | 26.1 | 1% | 0.011 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.3 | -35.5 | 176.3 | -74.2 | -35.4 | 0 | 0 | 0 | 112.3 | L74 S82 S331 N334 | L74-D78 PolarHBondContact O-N 3.29Å; D78-S82 VanDerWaalsContact O-CB 3.24Å; D78-S82 WeakPolarHBondContact O-CB 3.2Å; D78-S82 PolarHBondContact O-N 3.16Å; D78-S82 PolarHBondContact O-OG 3.03Å; D78-S331 WeakPolarHBondContact OD1-CB 3.31Å; D78-N334 PolarHBondContact OD2-ND2 2.91Å |
| 79 | L | 94.8 | Very high | 92.6 | Very high | 39 Ų | 39 | 24.8 Ų | 24.8 | 20% | 0.204 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.1 | -40.9 | 174.3 | 179.6 | 61.2 | 0 | 0 | 0 | 111.3 | V47 N50 I51 I54 A75 A76 A77 S82 S83 | V47-L79 HydrophobicContact CB-CD1 4.41Å; V47-L79 HydrophobicContact CG1-CD1 4.04Å; N50-L79 HydrophobicContact CB-CB 4.07Å; I51-L79 HydrophobicContact CD1-CD1 4.33Å; I51-L79 HydrophobicContact CG1-CD1 3.91Å; I51-L79 HydrophobicContact CG1-CD2 4.03Å; I54-L79 HydrophobicContact CD1-CD2 3.83Å; A75-L79 WeakPolarHBondContact O-CB 3.43Å; A75-L79 PolarHBondContact O-N 2.91Å; A76-L79 PolarHBondContact O-N 2.87Å; A77-L79 VanDerWaalsContact C-N 3.34Å; A77-L79 PolarHBondContact O-N 3.45Å; L79-S82 PolarHBondContact O-N 3.44Å; L79-S83 VanDerWaalsContact O-CB 3.31Å; L79-S83 WeakPolarHBondContact O-CB 3.42Å; L79-S83 PolarHBondContact O-N 3.13Å; L79-S83 PolarHBondContact O-OG 3.18Å |
| 80 | L | 95.2 | Very high | 92.8 | Very high | 58 Ų | 58 | 19.6 Ų | 19.6 | 30% | 0.304 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -62.8 | -45.9 | 175.9 | -175.3 | 60.4 | 0 | 0 | 0 | 110.6 | A76 A77 S82 S83 A84 L111 C115 W157 | A76-L80 WeakPolarHBondContact O-CB 3.49Å; A76-L80 PolarHBondContact O-N 3.08Å; A77-L80 PolarHBondContact O-N 3.2Å; L80-S82 PolarHBondContact O-N 2.94Å; L80-S83 PolarHBondContact O-N 2.86Å; L80-A84 HydrophobicContact CD1-CB 4.11Å; L80-A84 VanDerWaalsContact O-CB 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.23Å; L80-A84 PolarHBondContact O-N 3.04Å; L80-L111 HydrophobicContact CD2-CD1 3.99Å; L80-L111 HydrophobicContact CG-CD1 4.17Å; L80-C115 VanDerWaalsContact CD2-SG 3.59Å; L80-C115 VanDerWaalsContact CG-SG 3.55Å; L80-W157 HydrophobicContact CD2-CH2 4.17Å; L80-W157 HydrophobicContact CD2-CZ3 4.39Å |
| 81 | L | 94.4 | Very high | 92.8 | Very high | 3 Ų | 3 | 21.8 Ų | 21.8 | 2% | 0.016 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -57 | -50.3 | 172.2 | -174.4 | 71 | 0 | 0 | 0 | 111.2 | A77 S83 V85 L86 C115 Y328 | A77-L81 PolarHBondContact O-N 3.48Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.47Å; L81-V85 HydrophobicContact CD1-CB 3.83Å; L81-V85 HydrophobicContact CD1-CG1 3.96Å; L81-V85 HydrophobicContact CD1-CG2 4Å; L81-V85 WeakPolarHBondContact O-CA 3.34Å; L81-V85 WeakPolarHBondContact O-CB 3.46Å; L81-V85 PolarHBondContact O-N 3.27Å; L81-L86 HydrophobicContact CG-CD2 4.49Å; L81-L86 HydrophobicContact CG-CG 4.42Å; L81-L86 PolarHBondContact O-N 3.42Å; L81-C115 HydrophobicContact CB-CB 3.89Å; L81-C115 HydrophobicContact CD1-CB 3.98Å; L81-Y328 HydrophobicContact CD1-CD1 4.46Å; L81-Y328 HydrophobicContact CD1-CE1 3.99Å; L81-Y328 HydrophobicContact CD2-CD1 4.16Å; L81-Y328 HydrophobicContact CD2-CE1 4.48Å |
| 82 | S | 93.4 | Very high | 92.9 | Very high | 0 Ų | 0 | 22.1 Ų | 22.1 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -67.5 | -28.2 | -174.1 | -58.6 | 0 | 0 | 0 | 0 | 114.2 | D78 L79 L80 P87 | D78-S82 VanDerWaalsContact O-CB 3.24Å; D78-S82 WeakPolarHBondContact O-CB 3.2Å; D78-S82 PolarHBondContact O-N 3.16Å; D78-S82 PolarHBondContact O-OG 3.03Å; L79-S82 PolarHBondContact O-N 3.44Å; L80-S82 PolarHBondContact O-N 2.94Å; S82-P87 WeakPolarHBondContact O-CD 3.5Å |
| 83 | S | 92.8 | Very high | 92.8 | Very high | 58 Ų | 58 | 23.9 Ų | 23.9 | 41% | 0.406 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -99.8 | -32.3 | -176.6 | 58.7 | 0 | 0 | 0 | 0 | 113.6 | L79 L80 L81 P87 | L79-S83 VanDerWaalsContact O-CB 3.31Å; L79-S83 WeakPolarHBondContact O-CB 3.42Å; L79-S83 PolarHBondContact O-N 3.13Å; L79-S83 PolarHBondContact O-OG 3.18Å; L80-S83 PolarHBondContact O-N 2.86Å; L81-S83 VanDerWaalsContact C-N 3.31Å; L81-S83 PolarHBondContact O-N 3.47Å; S83-P87 WeakPolarHBondContact O-CG 3.21Å |
| 84 | A | 92.9 | Very high | 92.5 | Very high | 26 Ų | 26 | 25 Ų | 25 | 22% | 0.215 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -110.7 | -15.5 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | L80 F88 L111 | L80-A84 HydrophobicContact CD1-CB 4.11Å; L80-A84 VanDerWaalsContact O-CB 3.28Å; L80-A84 WeakPolarHBondContact O-CB 3.23Å; L80-A84 PolarHBondContact O-N 3.04Å; A84-F88 WeakPolarHBondContact O-CD2 3.45Å; A84-F88 WeakPolarHBondContact O-CE2 3.49Å; A84-L111 HydrophobicContact CB-CD2 3.53Å |
| 85 | V | 93.9 | Very high | 92.2 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 18% | 0.179 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.9 | -56.7 | 179.8 | -178.8 | 0 | 0 | 0 | 0 | 110.3 | L81 F88 S89 W108 L111 D112 Y328 | L81-V85 HydrophobicContact CD1-CB 3.83Å; L81-V85 HydrophobicContact CD1-CG1 3.96Å; L81-V85 HydrophobicContact CD1-CG2 4Å; L81-V85 WeakPolarHBondContact O-CA 3.34Å; L81-V85 WeakPolarHBondContact O-CB 3.46Å; L81-V85 PolarHBondContact O-N 3.27Å; V85-F88 PolarHBondContact O-N 3.49Å; V85-S89 PolarHBondContact O-N 3.48Å; V85-S89 VanDerWaalsContact O-N 3.09Å; V85-S89 PolarHBondContact O-OG 2.87Å; V85-W108 PolarHBondContact O-NE1 2.94Å; V85-L111 HydrophobicContact CG2-CB 4.19Å; V85-L111 HydrophobicContact CG2-CD2 3.98Å; V85-L111 HydrophobicContact CG2-CG 3.75Å; V85-D112 HydrophobicContact CG1-CB 3.89Å; V85-D112 WeakPolarHBondContact CG1-OD1 3.44Å; V85-Y328 VanDerWaalsContact CG1-OH 3.32Å; V85-Y328 WeakPolarHBondContact CG1-OH 3.45Å |
| 86 | L | 92 | Very high | 91.8 | Very high | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.6 | -40 | -172.7 | -61.8 | -171.7 | 0 | 0 | 0 | 114.9 | F42 L43 L81 F88 S89 A90 Y328 | F42-L86 HydrophobicContact CD1-CD1 4.25Å; F42-L86 HydrophobicContact CE1-CD1 3.7Å; L43-L86 HydrophobicContact CD2-CB 3.23Å; L43-L86 HydrophobicContact CD2-CD1 4.19Å; L43-L86 HydrophobicContact CD2-CG 4.35Å; L81-L86 HydrophobicContact CG-CD2 4.49Å; L81-L86 HydrophobicContact CG-CG 4.42Å; L81-L86 PolarHBondContact O-N 3.42Å; L86-F88 VanDerWaalsContact C-N 3.28Å; L86-F88 PolarHBondContact O-N 3.44Å; L86-S89 PolarHBondContact O-N 3.29Å; L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.32Å; L86-A90 PolarHBondContact O-N 3.01Å; L86-Y328 HydrophobicContact CD2-CD1 3.7Å; L86-Y328 HydrophobicContact CD2-CD2 3.16Å; L86-Y328 HydrophobicContact CD2-CE1 3.97Å; L86-Y328 HydrophobicContact CD2-CE2 3.45Å; L86-Y328 VanDerWaalsContact CD2-CE2 3.45Å; L86-Y328 HydrophobicContact CD2-CG 3.26Å |
| 87 | P | 92.5 | Very high | 91.5 | Very high | 37 Ų | 37 | 36.8 Ų | 36.8 | 24% | 0.24 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -64.5 | -35.3 | -178.6 | -24.5 | 36.7 | 0 | 0 | 0 | 112.5 | L43 S82 S83 T91 | L43-P87 HydrophobicContact CD1-CB 4.36Å; L43-P87 HydrophobicContact CD1-CG 4.45Å; L43-P87 HydrophobicContact CD2-CG 3.94Å; S82-P87 WeakPolarHBondContact O-CD 3.5Å; S83-P87 WeakPolarHBondContact O-CG 3.21Å; P87-T91 WeakPolarHBondContact O-CB 3.42Å; P87-T91 PolarHBondContact O-N 3.09Å; P87-T91 PolarHBondContact O-OG1 2.8Å |
| 88 | F | 92.9 | Very high | 91.3 | Very high | 56 Ų | 56 | 37.2 Ų | 37.2 | 25% | 0.246 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -75 | -41.5 | 178.9 | -59.7 | -81.1 | 0 | 0 | 0 | 111 | A84 V85 L86 A90 T91 S92 W98 F100 F104 | A84-F88 WeakPolarHBondContact O-CD2 3.45Å; A84-F88 WeakPolarHBondContact O-CE2 3.49Å; V85-F88 PolarHBondContact O-N 3.49Å; L86-F88 VanDerWaalsContact C-N 3.28Å; L86-F88 PolarHBondContact O-N 3.44Å; F88-A90 VanDerWaalsContact C-N 3.33Å; F88-A90 PolarHBondContact O-N 3.01Å; F88-T91 PolarHBondContact O-N 2.81Å; F88-S92 WeakPolarHBondContact O-CB 3.43Å; F88-S92 PolarHBondContact O-N 3.4Å; F88-W98 HydrophobicContact CB-CH2 4.27Å; F88-W98 HydrophobicContact CB-CZ3 4.42Å; F88-F100 HydrophobicContact CB-CE2 4.17Å; F88-F100 HydrophobicContact CD1-CD1 4.02Å; F88-F100 HydrophobicContact CD1-CD2 4.09Å; F88-F100 AromaticContact CD1-CE1 3.73Å; F88-F100 HydrophobicContact CD1-CE1 3.73Å; F88-F100 AromaticContact CD1-CE2 3.81Å; F88-F100 HydrophobicContact CD1-CE2 3.81Å; F88-F100 HydrophobicContact CD1-CG 4.2Å; F88-F100 AromaticContact CD1-CZ 3.61Å; F88-F100 HydrophobicContact CD1-CZ 3.61Å; F88-F100 HydrophobicContact CE1-CD1 4.26Å; F88-F100 HydrophobicContact CE1-CE1 4.01Å; F88-F100 HydrophobicContact CE1-CZ 4.31Å; F88-F100 HydrophobicContact CG-CE2 4.5Å; F88-F104 HydrophobicContact CB-CE1 4.14Å; F88-F104 HydrophobicContact CD1-CD1 4.43Å; F88-F104 AromaticContact CD1-CE1 3.38Å; F88-F104 HydrophobicContact CD1-CE1 3.38Å; F88-F104 AromaticContact CD1-CZ 3.76Å; F88-F104 HydrophobicContact CD1-CZ 3.76Å; F88-F104 HydrophobicContact CD2-CE1 4.04Å; F88-F104 AromaticContact CD2-CZ 3.95Å; F88-F104 HydrophobicContact CD2-CZ 3.95Å; F88-F104 AromaticContact CE1-CE1 3.67Å; F88-F104 HydrophobicContact CE1-CE1 3.67Å; F88-F104 AromaticContact CE1-CZ 3.59Å; F88-F104 HydrophobicContact CE1-CZ 3.59Å; F88-F104 HydrophobicContact CE2-CE1 4.29Å; F88-F104 AromaticContact CE2-CZ 3.78Å; F88-F104 HydrophobicContact CE2-CZ 3.78Å; F88-F104 AromaticContact CG-CE1 3.58Å; F88-F104 HydrophobicContact CG-CE1 3.58Å; F88-F104 AromaticContact CG-CZ 3.94Å; F88-F104 HydrophobicContact CG-CZ 3.94Å; F88-F104 HydrophobicContact CZ-CE1 4.12Å; F88-F104 AromaticContact CZ-CZ 3.59Å; F88-F104 HydrophobicContact CZ-CZ 3.59Å |
| 89 | S | 91.8 | Very high | 91.2 | Very high | 9 Ų | 9 | 40 Ų | 40 | 6% | 0.063 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -59.9 | -43.5 | 171.4 | -54.7 | 0 | 0 | 0 | 0 | 111.8 | V85 L86 S92 E93 W108 | V85-S89 PolarHBondContact O-N 3.48Å; V85-S89 VanDerWaalsContact O-N 3.09Å; V85-S89 PolarHBondContact O-OG 2.87Å; L86-S89 PolarHBondContact O-N 3.29Å; S89-S92 PolarHBondContact O-N 3Å; S89-E93 WeakPolarHBondContact O-CB 3.33Å; S89-E93 PolarHBondContact O-N 3.12Å; S89-W108 VanDerWaalsContact OG-CZ2 3.27Å; S89-W108 WeakPolarHBondContact OG-CZ2 3.46Å; S89-W108 PolarHBondContact OG-NE1 3.26Å |
| 90 | A | 90.8 | Very high | 91 | Very high | 10 Ų | 10 | 41.4 Ų | 41.4 | 8% | 0.083 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -65.5 | -41.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | L39 L43 L86 F88 E93 A94 W325 | L39-A90 HydrophobicContact CB-CB 4.06Å; L39-A90 HydrophobicContact CD1-CB 3.9Å; L39-A90 HydrophobicContact CG-CB 4.47Å; L43-A90 HydrophobicContact CD1-CB 4.22Å; L86-A90 VanDerWaalsContact O-CB 3.25Å; L86-A90 WeakPolarHBondContact O-CB 3.32Å; L86-A90 PolarHBondContact O-N 3.01Å; F88-A90 VanDerWaalsContact C-N 3.33Å; F88-A90 PolarHBondContact O-N 3.01Å; A90-E93 PolarHBondContact O-N 3.27Å; A90-A94 WeakPolarHBondContact O-CB 3.41Å; A90-A94 PolarHBondContact O-N 3.49Å; A90-W325 HydrophobicContact CB-CH2 4.04Å |
| 91 | T | 89.9 | Confident | 90.8 | Very high | 57 Ų | 57 | 40 Ų | 40 | 35% | 0.35 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -64.3 | -42.4 | 176.1 | -56.7 | 0 | 0 | 0 | 0 | 111 | P87 F88 A94 L95 F100 | P87-T91 WeakPolarHBondContact O-CB 3.42Å; P87-T91 PolarHBondContact O-N 3.09Å; P87-T91 PolarHBondContact O-OG1 2.8Å; F88-T91 PolarHBondContact O-N 2.81Å; T91-A94 PolarHBondContact O-N 2.86Å; T91-L95 HydrophobicContact CG2-CD1 3.81Å; T91-L95 HydrophobicContact CG2-CG 4.4Å; T91-L95 WeakPolarHBondContact O-CB 2.83Å; T91-L95 WeakPolarHBondContact O-CG 3.4Å; T91-L95 PolarHBondContact O-N 2.93Å; T91-F100 HydrophobicContact CG2-CE2 4.26Å; T91-F100 HydrophobicContact CG2-CZ 3.84Å |
| 92 | S | 89.6 | Confident | 90.5 | Very high | 26 Ų | 26 | 44.2 Ų | 44.2 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 176.6 | -169.5 | 0 | 0 | 0 | 0 | 112.4 | F88 S89 G96 R97 | F88-S92 WeakPolarHBondContact O-CB 3.43Å; F88-S92 PolarHBondContact O-N 3.4Å; S89-S92 PolarHBondContact O-N 3Å; S92-G96 WeakPolarHBondContact O-CA 3.37Å; S92-G96 PolarHBondContact O-N 3.35Å; S92-R97 PolarHBondContact O-N 3.09Å |
| 93 | E | 88.5 | Confident | 90.3 | Very high | 59 Ų | 59 | 49 Ų | 49 | 28% | 0.276 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.6 | -41.2 | 177.1 | -171.5 | 66.3 | -152.4 | 0 | 0 | 111.3 | L35 L39 S89 A90 G96 W325 | L35-E93 HydrophobicContact CD2-CG 3.89Å; L39-E93 HydrophobicContact CD1-CB 4.44Å; S89-E93 WeakPolarHBondContact O-CB 3.33Å; S89-E93 PolarHBondContact O-N 3.12Å; A90-E93 PolarHBondContact O-N 3.27Å; E93-G96 PolarHBondContact O-N 3.04Å; E93-W325 HydrophobicContact CB-CZ2 4.06Å; E93-W325 HydrophobicContact CG-CZ2 4.4Å |
| 94 | A | 86.4 | Confident | 90.3 | Very high | 42 Ų | 42 | 49.4 Ų | 49.4 | 35% | 0.347 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -67.3 | -36.1 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113 | A90 T91 | A90-A94 WeakPolarHBondContact O-CB 3.41Å; A90-A94 PolarHBondContact O-N 3.49Å; T91-A94 PolarHBondContact O-N 2.86Å |
| 95 | L | 85.7 | Confident | 90.2 | Very high | 91 Ų | 91 | 48.9 Ų | 48.9 | 48% | 0.476 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -85.4 | -15.7 | 178 | -67.4 | 175.9 | 0 | 0 | 0 | 113.3 | T91 R97 V99 | T91-L95 HydrophobicContact CG2-CD1 3.81Å; T91-L95 HydrophobicContact CG2-CG 4.4Å; T91-L95 WeakPolarHBondContact O-CB 2.83Å; T91-L95 WeakPolarHBondContact O-CG 3.4Å; T91-L95 PolarHBondContact O-N 2.93Å; L95-R97 HydrophobicContact CB-CG 4.17Å; L95-R97 PolarHBondContact O-N 3.49Å; L95-V99 HydrophobicContact CD1-CG1 3.9Å; L95-V99 HydrophobicContact CD1-CG2 4.11Å |
| 96 | G | 85.9 | Confident | 90.1 | Very high | 70 Ų | 70 | 51 Ų | 51 | 72% | 0.722 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.1 | 10.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.2 | S92 E93 | S92-G96 WeakPolarHBondContact O-CA 3.37Å; S92-G96 PolarHBondContact O-N 3.35Å; E93-G96 PolarHBondContact O-N 3.04Å |
| 97 | R | 88.2 | Confident | 90.1 | Very high | 130 Ų | 130 | 54.9 Ų | 54.9 | 49% | 0.491 | 32% | 0.316 | S | S | . | . | S | Bend | trans | -154.1 | 151.1 | -177.9 | 66.8 | -178.9 | -179.3 | 100.9 | 2.9 | 111.6 | S92 L95 V99 | S92-R97 PolarHBondContact O-N 3.09Å; L95-R97 HydrophobicContact CB-CG 4.17Å; L95-R97 PolarHBondContact O-N 3.49Å; R97-V99 HydrophobicContact CG-CG1 4.08Å |
| 98 | W | 91.4 | Very high | 90.2 | Very high | 8 Ų | 8 | 53.8 Ų | 53.8 | 3% | 0.03 | 31% | 0.307 | C | S | . | . | trans | -82.8 | 130.1 | 173.4 | -171.4 | -105.7 | 0 | 0 | 0 | 111.1 | F88 F100 G101 F104 C105 W108 T180 C182 | F88-W98 HydrophobicContact CB-CH2 4.27Å; F88-W98 HydrophobicContact CB-CZ3 4.42Å; W98-F100 HydrophobicContact CD2-CD2 4.03Å; W98-F100 AromaticContact CE2-CD2 3.96Å; W98-F100 HydrophobicContact CE3-CD2 4.02Å; W98-F100 AromaticContact CH2-CD2 3.94Å; W98-F100 HydrophobicContact CH2-CD2 3.94Å; W98-F100 HydrophobicContact CZ2-CB 3.92Å; W98-F100 AromaticContact CZ2-CD2 3.96Å; W98-F100 HydrophobicContact CZ2-CD2 3.96Å; W98-F100 HydrophobicContact CZ2-CG 4.39Å; W98-F100 AromaticContact CZ3-CD2 3.96Å; W98-F100 HydrophobicContact CZ3-CD2 3.96Å; W98-F100 HydrophobicContact CZ3-CE2 4.46Å; W98-G101 PolarHBondContact NE1-O 3.32Å; W98-F104 AromaticContact CH2-CD1 4Å; W98-F104 HydrophobicContact CH2-CD1 4Å; W98-F104 HydrophobicContact CH2-CE1 4.24Å; W98-F104 AromaticContact CZ2-CD1 3.55Å; W98-F104 HydrophobicContact CZ2-CD1 3.55Å; W98-F104 HydrophobicContact CZ2-CE1 4.25Å; W98-F104 HydrophobicContact CZ2-CG 4.49Å; W98-C105 HydrophobicContact CZ2-CB 4.06Å; W98-W108 HydrophobicContact CH2-CB 3.94Å; W98-W108 AromaticContact CH2-CD2 3.99Å; W98-W108 HydrophobicContact CH2-CD2 3.99Å; W98-W108 HydrophobicContact CH2-CE3 4.45Å; W98-W108 AromaticContact CH2-CG 3.71Å; W98-W108 HydrophobicContact CH2-CG 3.71Å; W98-W108 HydrophobicContact CZ2-CB 4.3Å; W98-W108 HydrophobicContact CZ3-CD2 4.39Å; W98-W108 HydrophobicContact CZ3-CG 4.47Å; W98-T180 VanDerWaalsContact CB-O 3.28Å; W98-T180 WeakPolarHBondContact CB-O 3.5Å; W98-T180 PolarHBondContact N-O 2.86Å; W98-C182 HydrophobicContact CB-CB 3.76Å; W98-C182 HydrophobicContact CD2-CB 3.43Å; W98-C182 VanDerWaalsContact CD2-CB 3.43Å; W98-C182 HydrophobicContact CE3-CB 3.79Å; W98-C182 HydrophobicContact CG-CB 3.43Å; W98-C182 VanDerWaalsContact CG-CB 3.43Å | ||
| 99 | V | 91.9 | Very high | 90.2 | Very high | 61 Ų | 61 | 51.9 Ų | 51.9 | 37% | 0.37 | 30% | 0.301 | S | S | . | . | trans | -120.2 | -3 | -175.2 | -58.6 | 0 | 0 | 0 | 0 | 114.1 | L95 R97 | L95-V99 HydrophobicContact CD1-CG1 3.9Å; L95-V99 HydrophobicContact CD1-CG2 4.11Å; R97-V99 HydrophobicContact CG-CG1 4.08Å | ||
| 100 | F | 91.2 | Very high | 90.3 | Very high | 69 Ų | 69 | 52 Ų | 52 | 30% | 0.303 | 30% | 0.303 | S | S | . | . | S | Bend | trans | -93.8 | 1.1 | -171.9 | -54.2 | -74 | 0 | 0 | 0 | 113.4 | F88 T91 W98 F104 | F88-F100 HydrophobicContact CB-CE2 4.17Å; F88-F100 HydrophobicContact CD1-CD1 4.02Å; F88-F100 HydrophobicContact CD1-CD2 4.09Å; F88-F100 AromaticContact CD1-CE1 3.73Å; F88-F100 HydrophobicContact CD1-CE1 3.73Å; F88-F100 AromaticContact CD1-CE2 3.81Å; F88-F100 HydrophobicContact CD1-CE2 3.81Å; F88-F100 HydrophobicContact CD1-CG 4.2Å; F88-F100 AromaticContact CD1-CZ 3.61Å; F88-F100 HydrophobicContact CD1-CZ 3.61Å; F88-F100 HydrophobicContact CE1-CD1 4.26Å; F88-F100 HydrophobicContact CE1-CE1 4.01Å; F88-F100 HydrophobicContact CE1-CZ 4.31Å; F88-F100 HydrophobicContact CG-CE2 4.5Å; T91-F100 HydrophobicContact CG2-CE2 4.26Å; T91-F100 HydrophobicContact CG2-CZ 3.84Å; W98-F100 HydrophobicContact CD2-CD2 4.03Å; W98-F100 AromaticContact CE2-CD2 3.96Å; W98-F100 HydrophobicContact CE3-CD2 4.02Å; W98-F100 AromaticContact CH2-CD2 3.94Å; W98-F100 HydrophobicContact CH2-CD2 3.94Å; W98-F100 HydrophobicContact CZ2-CB 3.92Å; W98-F100 AromaticContact CZ2-CD2 3.96Å; W98-F100 HydrophobicContact CZ2-CD2 3.96Å; W98-F100 HydrophobicContact CZ2-CG 4.39Å; W98-F100 AromaticContact CZ3-CD2 3.96Å; W98-F100 HydrophobicContact CZ3-CD2 3.96Å; W98-F100 HydrophobicContact CZ3-CE2 4.46Å; F100-F104 HydrophobicContact CB-CB 3.99Å; F100-F104 HydrophobicContact CB-CD1 3.39Å; F100-F104 HydrophobicContact CB-CE1 4.22Å; F100-F104 HydrophobicContact CB-CG 3.96Å; F100-F104 HydrophobicContact CD2-CD1 4.43Å; F100-F104 AromaticContact CG-CD1 3.94Å; F100-F104 HydrophobicContact CG-CD1 3.94Å; F100-F104 HydrophobicContact CG-CE1 4.3Å; F100-F104 VanDerWaalsContact O-CB 3.29Å; F100-F104 WeakPolarHBondContact O-CB 3.44Å |
| 101 | G | 90 | Very high | 90.5 | Very high | 28 Ų | 28 | 53.2 Ų | 53.2 | 29% | 0.289 | 31% | 0.308 | S | S | . | . | trans | 80.3 | 168.2 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | W98 F104 C105 | W98-G101 PolarHBondContact NE1-O 3.32Å; G101-F104 PolarHBondContact O-N 3.21Å; G101-C105 PolarHBondContact O-N 3.3Å; G101-C105 VanDerWaalsContact O-N 3.15Å | ||
| 102 | R | 87.9 | Confident | 90.7 | Very high | 92 Ų | 92 | 50.9 Ų | 50.9 | 35% | 0.347 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -65.3 | -43.8 | -173 | -70.3 | -180 | 164.1 | 152.1 | -8.8 | 113.7 | F104 C105 N106 P176 E177 E179 | R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.32Å; R102-C105 WeakPolarHBondContact O-CB 3.41Å; R102-C105 PolarHBondContact O-N 3.41Å; R102-C105 VanDerWaalsContact O-N 3.14Å; R102-N106 PolarHBondContact O-N 3.11Å; R102-N106 VanDerWaalsContact O-N 3.14Å; R102-N106 PolarHBondContact O-ND2 3Å; R102-P176 PolarHBondContact NH2-O 2.88Å; R102-E177 PolarHBondContact NH2-O 2.88Å; R102-E179 WeakPolarHBondContact CD-OE1 3.19Å; R102-E179 HydrophobicContact CG-CB 4.42Å; R102-E179 HydrophobicContact CG-CG 4.38Å; R102-E179 VanDerWaalsContact CZ-CG 3.48Å; R102-E179 IonicContact CZ-OE1 2.69Å; R102-E179 IonicContact NE-OE1 3.99Å; R102-E179 PolarHBondContact NE-OE1 3.34Å; R102-E179 IonicContact NH1-OE1 3.34Å; R102-E179 PolarHBondContact NH1-OE1 2.91Å; R102-E179 IonicContact NH2-OE1 2.74Å |
| 103 | S | 89.6 | Confident | 90.9 | Very high | 99 Ų | 99 | 50.6 Ų | 50.6 | 69% | 0.692 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -60.2 | -41.6 | 179.8 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | N106 V107 | S103-N106 PolarHBondContact O-N 2.92Å; S103-V107 WeakPolarHBondContact O-CG2 3.49Å; S103-V107 PolarHBondContact O-N 2.91Å |
| 104 | F | 92.4 | Very high | 91.2 | Very high | 67 Ų | 67 | 49.3 Ų | 49.3 | 29% | 0.294 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -70.1 | -34.5 | 177.7 | -164.3 | -104 | 0 | 0 | 0 | 111.9 | F88 W98 F100 G101 R102 N106 V107 W108 | F88-F104 HydrophobicContact CB-CE1 4.14Å; F88-F104 HydrophobicContact CD1-CD1 4.43Å; F88-F104 AromaticContact CD1-CE1 3.38Å; F88-F104 HydrophobicContact CD1-CE1 3.38Å; F88-F104 AromaticContact CD1-CZ 3.76Å; F88-F104 HydrophobicContact CD1-CZ 3.76Å; F88-F104 HydrophobicContact CD2-CE1 4.04Å; F88-F104 AromaticContact CD2-CZ 3.95Å; F88-F104 HydrophobicContact CD2-CZ 3.95Å; F88-F104 AromaticContact CE1-CE1 3.67Å; F88-F104 HydrophobicContact CE1-CE1 3.67Å; F88-F104 AromaticContact CE1-CZ 3.59Å; F88-F104 HydrophobicContact CE1-CZ 3.59Å; F88-F104 HydrophobicContact CE2-CE1 4.29Å; F88-F104 AromaticContact CE2-CZ 3.78Å; F88-F104 HydrophobicContact CE2-CZ 3.78Å; F88-F104 AromaticContact CG-CE1 3.58Å; F88-F104 HydrophobicContact CG-CE1 3.58Å; F88-F104 AromaticContact CG-CZ 3.94Å; F88-F104 HydrophobicContact CG-CZ 3.94Å; F88-F104 HydrophobicContact CZ-CE1 4.12Å; F88-F104 AromaticContact CZ-CZ 3.59Å; F88-F104 HydrophobicContact CZ-CZ 3.59Å; W98-F104 AromaticContact CH2-CD1 4Å; W98-F104 HydrophobicContact CH2-CD1 4Å; W98-F104 HydrophobicContact CH2-CE1 4.24Å; W98-F104 AromaticContact CZ2-CD1 3.55Å; W98-F104 HydrophobicContact CZ2-CD1 3.55Å; W98-F104 HydrophobicContact CZ2-CE1 4.25Å; W98-F104 HydrophobicContact CZ2-CG 4.49Å; F100-F104 HydrophobicContact CB-CB 3.99Å; F100-F104 HydrophobicContact CB-CD1 3.39Å; F100-F104 HydrophobicContact CB-CE1 4.22Å; F100-F104 HydrophobicContact CB-CG 3.96Å; F100-F104 HydrophobicContact CD2-CD1 4.43Å; F100-F104 AromaticContact CG-CD1 3.94Å; F100-F104 HydrophobicContact CG-CD1 3.94Å; F100-F104 HydrophobicContact CG-CE1 4.3Å; F100-F104 VanDerWaalsContact O-CB 3.29Å; F100-F104 WeakPolarHBondContact O-CB 3.44Å; G101-F104 PolarHBondContact O-N 3.21Å; R102-F104 VanDerWaalsContact C-N 3.29Å; R102-F104 PolarHBondContact O-N 3.32Å; F104-N106 PolarHBondContact O-N 3.22Å; F104-V107 PolarHBondContact O-N 3.32Å; F104-W108 WeakPolarHBondContact O-CB 3.14Å; F104-W108 PolarHBondContact O-N 3.35Å |
| 105 | C | 92.6 | Very high | 91.6 | Very high | 15 Ų | 15 | 47.3 Ų | 47.3 | 10% | 0.101 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -58.4 | -45.3 | 173.6 | 180 | 0 | 0 | 0 | 0 | 112.1 | W98 G101 R102 V107 W108 A109 C182 | W98-C105 HydrophobicContact CZ2-CB 4.06Å; G101-C105 PolarHBondContact O-N 3.3Å; G101-C105 VanDerWaalsContact O-N 3.15Å; R102-C105 WeakPolarHBondContact O-CB 3.41Å; R102-C105 PolarHBondContact O-N 3.41Å; R102-C105 VanDerWaalsContact O-N 3.14Å; C105-V107 PolarHBondContact O-N 3.42Å; C105-W108 PolarHBondContact O-N 3.45Å; C105-A109 WeakPolarHBondContact O-CB 3.35Å; C105-A109 PolarHBondContact O-N 3.41Å; C105-C182 VanDerWaalsContact CA-SG 3.55Å; C105-C182 HydrophobicContact CB-CB 3.86Å; C105-C182 WeakPolarHBondContact CB-SG 3.24Å; C105-C182 WeakPolarHBondContact SG-CA 3.31Å; C105-C182 WeakPolarHBondContact SG-CB 3.34Å; C105-C182 CovalentContact SG-SG 2.03Å; C105-C182 PolarHBondContact SG-SG 3.25Å |
| 106 | N | 90.8 | Very high | 92 | Very high | 45 Ų | 45 | 43.6 Ų | 43.6 | 24% | 0.241 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.6 | -43.1 | 177.8 | -68.2 | -46.1 | 0 | 0 | 0 | 112 | R102 S103 F104 A110 L168 K172 | R102-N106 PolarHBondContact O-N 3.11Å; R102-N106 VanDerWaalsContact O-N 3.14Å; R102-N106 PolarHBondContact O-ND2 3Å; S103-N106 PolarHBondContact O-N 2.92Å; F104-N106 PolarHBondContact O-N 3.22Å; N106-A110 WeakPolarHBondContact O-CB 3.44Å; N106-A110 PolarHBondContact O-N 3.26Å; N106-L168 HydrophobicContact CB-CD2 3.92Å; N106-K172 PolarHBondContact OD1-NZ 3.41Å |
| 107 | V | 92.7 | Very high | 92.4 | Very high | 81 Ų | 81 | 40.4 Ų | 40.4 | 49% | 0.491 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -66.9 | -43.4 | 177.1 | 174.9 | 0 | 0 | 0 | 0 | 111 | S103 F104 C105 A110 L111 | S103-V107 WeakPolarHBondContact O-CG2 3.49Å; S103-V107 PolarHBondContact O-N 2.91Å; F104-V107 PolarHBondContact O-N 3.32Å; C105-V107 PolarHBondContact O-N 3.42Å; V107-A110 PolarHBondContact O-N 2.96Å; V107-L111 WeakPolarHBondContact O-CB 3.18Å; V107-L111 PolarHBondContact O-N 2.95Å |
| 108 | W | 94.8 | Very high | 92.7 | Very high | 15 Ų | 15 | 34.2 Ų | 34.2 | 6% | 0.057 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.1 | -48.4 | 177 | 167.7 | 83.8 | 0 | 0 | 0 | 111.3 | V85 S89 W98 F104 C105 A110 L111 D112 C182 I184 F324 | V85-W108 PolarHBondContact O-NE1 2.94Å; S89-W108 VanDerWaalsContact OG-CZ2 3.27Å; S89-W108 WeakPolarHBondContact OG-CZ2 3.46Å; S89-W108 PolarHBondContact OG-NE1 3.26Å; W98-W108 HydrophobicContact CH2-CB 3.94Å; W98-W108 AromaticContact CH2-CD2 3.99Å; W98-W108 HydrophobicContact CH2-CD2 3.99Å; W98-W108 HydrophobicContact CH2-CE3 4.45Å; W98-W108 AromaticContact CH2-CG 3.71Å; W98-W108 HydrophobicContact CH2-CG 3.71Å; W98-W108 HydrophobicContact CZ2-CB 4.3Å; W98-W108 HydrophobicContact CZ3-CD2 4.39Å; W98-W108 HydrophobicContact CZ3-CG 4.47Å; F104-W108 WeakPolarHBondContact O-CB 3.14Å; F104-W108 PolarHBondContact O-N 3.35Å; C105-W108 PolarHBondContact O-N 3.45Å; W108-A110 PolarHBondContact O-N 3.19Å; W108-L111 PolarHBondContact O-N 3.39Å; W108-D112 WeakPolarHBondContact O-CB 3.49Å; W108-D112 PolarHBondContact O-N 3.42Å; W108-C182 VanDerWaalsContact CE3-SG 3.56Å; W108-I184 HydrophobicContact CH2-CD1 4.23Å; W108-I184 HydrophobicContact CH2-CG1 3.93Å; W108-I184 HydrophobicContact CZ3-CG1 3.9Å; W108-F324 HydrophobicContact CH2-CZ 4.29Å; W108-F324 HydrophobicContact CZ2-CE1 4.38Å; W108-F324 HydrophobicContact CZ2-CZ 4.25Å |
| 109 | A | 92.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 34 Ų | 34 | 12% | 0.124 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -64.1 | -41.9 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | C105 D112 V113 | C105-A109 WeakPolarHBondContact O-CB 3.35Å; C105-A109 PolarHBondContact O-N 3.41Å; A109-D112 PolarHBondContact O-N 2.97Å; A109-V113 WeakPolarHBondContact O-CG2 3.41Å; A109-V113 PolarHBondContact O-N 3.33Å; A109-V113 VanDerWaalsContact O-N 3.16Å |
| 110 | A | 94.1 | Very high | 92.8 | Very high | 12 Ų | 12 | 31.2 Ų | 31.2 | 10% | 0.099 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.3 | -40.4 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | N106 V107 W108 L114 S164 L168 | N106-A110 WeakPolarHBondContact O-CB 3.44Å; N106-A110 PolarHBondContact O-N 3.26Å; V107-A110 PolarHBondContact O-N 2.96Å; W108-A110 PolarHBondContact O-N 3.19Å; A110-L114 VanDerWaalsContact O-CB 3.26Å; A110-L114 WeakPolarHBondContact O-CB 3.37Å; A110-L114 PolarHBondContact O-N 3.28Å; A110-S164 VanDerWaalsContact O-CB 3.29Å; A110-S164 WeakPolarHBondContact O-CB 3.24Å; A110-L168 HydrophobicContact CB-CD1 3.92Å; A110-L168 HydrophobicContact CB-CD2 4.39Å; A110-L168 HydrophobicContact CB-CG 4.18Å |
| 111 | L | 94.8 | Very high | 93 | Very high | 36 Ų | 36 | 29.3 Ų | 29.3 | 19% | 0.188 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -68.5 | -37.6 | 178.8 | -173.7 | 59.3 | 0 | 0 | 0 | 112 | L80 A84 V85 V107 W108 L114 C115 | L80-L111 HydrophobicContact CD2-CD1 3.99Å; L80-L111 HydrophobicContact CG-CD1 4.17Å; A84-L111 HydrophobicContact CB-CD2 3.53Å; V85-L111 HydrophobicContact CG2-CB 4.19Å; V85-L111 HydrophobicContact CG2-CD2 3.98Å; V85-L111 HydrophobicContact CG2-CG 3.75Å; V107-L111 WeakPolarHBondContact O-CB 3.18Å; V107-L111 PolarHBondContact O-N 2.95Å; W108-L111 PolarHBondContact O-N 3.39Å; L111-L114 HydrophobicContact CD1-CD2 4.04Å; L111-L114 PolarHBondContact O-N 2.95Å; L111-C115 WeakPolarHBondContact O-CB 3.49Å; L111-C115 PolarHBondContact O-N 3.35Å; L111-C115 PolarHBondContact O-SG 3.17Å |
| 112 | D | 93.9 | Very high | 93.1 | Very high | 7 Ų | 7 | 28.1 Ų | 28.1 | 4% | 0.037 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.8 | -54.6 | 173.9 | -176.6 | 59.8 | 0 | 0 | 0 | 110.9 | V85 W108 A109 L114 C115 C116 I184 Y328 | V85-D112 HydrophobicContact CG1-CB 3.89Å; V85-D112 WeakPolarHBondContact CG1-OD1 3.44Å; W108-D112 WeakPolarHBondContact O-CB 3.49Å; W108-D112 PolarHBondContact O-N 3.42Å; A109-D112 PolarHBondContact O-N 2.97Å; D112-L114 PolarHBondContact O-N 2.93Å; D112-C115 PolarHBondContact O-N 3Å; D112-C116 WeakPolarHBondContact O-CB 3.37Å; D112-C116 PolarHBondContact O-N 3.37Å; D112-C116 PolarHBondContact O-SG 3.16Å; D112-I184 WeakPolarHBondContact OD2-CD1 3.38Å; D112-Y328 WeakPolarHBondContact OD1-CE1 3.49Å; D112-Y328 PolarHBondContact OD1-OH 3.01Å |
| 113 | V | 93.5 | Very high | 93.2 | Very high | 20 Ų | 20 | 23.9 Ų | 23.9 | 12% | 0.121 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -59.2 | -47.3 | 176.5 | 177.5 | 0 | 0 | 0 | 0 | 110.5 | A109 C115 C116 T117 I163 | A109-V113 WeakPolarHBondContact O-CG2 3.41Å; A109-V113 PolarHBondContact O-N 3.33Å; A109-V113 VanDerWaalsContact O-N 3.16Å; V113-C115 PolarHBondContact O-N 3.19Å; V113-C116 PolarHBondContact O-N 3.46Å; V113-T117 WeakPolarHBondContact O-CB 3.46Å; V113-T117 PolarHBondContact O-N 3.06Å; V113-T117 PolarHBondContact O-OG1 3.09Å; V113-I163 HydrophobicContact CG1-CG2 4.27Å |
| 114 | L | 95.5 | Very high | 93.3 | Very high | 32 Ų | 32 | 19.5 Ų | 19.5 | 17% | 0.168 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -54.2 | -50.7 | 179.4 | 178 | 70.7 | 0 | 0 | 0 | 112.1 | A110 L111 D112 A118 W157 A161 | A110-L114 VanDerWaalsContact O-CB 3.26Å; A110-L114 WeakPolarHBondContact O-CB 3.37Å; A110-L114 PolarHBondContact O-N 3.28Å; L111-L114 HydrophobicContact CD1-CD2 4.04Å; L111-L114 PolarHBondContact O-N 2.95Å; D112-L114 PolarHBondContact O-N 2.93Å; L114-A118 VanDerWaalsContact O-CB 3.25Å; L114-A118 WeakPolarHBondContact O-CB 3.37Å; L114-A118 PolarHBondContact O-N 2.92Å; L114-W157 HydrophobicContact CD1-CE3 4.35Å; L114-W157 HydrophobicContact CD1-CZ3 4.5Å; L114-W157 HydrophobicContact CD2-CZ3 4.32Å; L114-W157 HydrophobicContact CG-CZ3 4.17Å; L114-A161 HydrophobicContact CD1-CB 3.94Å |
| 115 | C | 94.7 | Very high | 93.3 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -69.5 | -40 | -176.1 | -63 | 0 | 0 | 0 | 0 | 111.7 | L80 L81 L111 D112 V113 A118 S119 | L80-C115 VanDerWaalsContact CD2-SG 3.59Å; L80-C115 VanDerWaalsContact CG-SG 3.55Å; L81-C115 HydrophobicContact CB-CB 3.89Å; L81-C115 HydrophobicContact CD1-CB 3.98Å; L111-C115 WeakPolarHBondContact O-CB 3.49Å; L111-C115 PolarHBondContact O-N 3.35Å; L111-C115 PolarHBondContact O-SG 3.17Å; D112-C115 PolarHBondContact O-N 3Å; V113-C115 PolarHBondContact O-N 3.19Å; C115-A118 PolarHBondContact O-N 3.01Å; C115-S119 WeakPolarHBondContact O-CB 3.08Å; C115-S119 PolarHBondContact O-N 3.42Å; C115-S119 PolarHBondContact O-OG 3.14Å |
| 116 | C | 92.3 | Very high | 93.1 | Very high | 14 Ų | 14 | 17.6 Ų | 17.6 | 10% | 0.095 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -66 | -44.8 | 178.7 | -63.6 | 0 | 0 | 0 | 0 | 111.2 | D112 V113 S119 I120 W297 | D112-C116 WeakPolarHBondContact O-CB 3.37Å; D112-C116 PolarHBondContact O-N 3.37Å; D112-C116 PolarHBondContact O-SG 3.16Å; V113-C116 PolarHBondContact O-N 3.46Å; C116-S119 PolarHBondContact O-N 2.93Å; C116-I120 WeakPolarHBondContact O-CG2 3.14Å; C116-I120 PolarHBondContact O-N 3.11Å; C116-I120 VanDerWaalsContact O-N 3.11Å; C116-W297 HydrophobicContact CB-CH2 3.84Å; C116-W297 HydrophobicContact CB-CZ2 4.16Å; C116-W297 WeakPolarHBondContact SG-CH2 3.26Å |
| 117 | T | 94.4 | Very high | 92.9 | Very high | 2 Ų | 2 | 15.6 Ų | 15.6 | 1% | 0.012 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -64.4 | -40.6 | 175 | -52.5 | 0 | 0 | 0 | 0 | 111.7 | V113 S119 I120 L121 I163 S198 | V113-T117 WeakPolarHBondContact O-CB 3.46Å; V113-T117 PolarHBondContact O-N 3.06Å; V113-T117 PolarHBondContact O-OG1 3.09Å; T117-S119 VanDerWaalsContact C-N 3.3Å; T117-S119 PolarHBondContact O-N 2.79Å; T117-I120 WeakPolarHBondContact O-CG2 3.12Å; T117-L121 HydrophobicContact CG2-CD1 3.85Å; T117-L121 HydrophobicContact CG2-CG 4.31Å; T117-L121 WeakPolarHBondContact O-CB 3.45Å; T117-L121 VanDerWaalsContact O-CG 3.26Å; T117-L121 WeakPolarHBondContact O-CG 3.16Å; T117-L121 PolarHBondContact O-N 3.31Å; T117-I163 HydrophobicContact CG2-CD1 3.92Å; T117-S198 VanDerWaalsContact OG1-CB 3.25Å; T117-S198 WeakPolarHBondContact OG1-CB 3.33Å; T117-S198 PolarHBondContact OG1-OG 2.93Å |
| 118 | A | 95.8 | Very high | 92.8 | Very high | 0 Ų | 0 | 14.9 Ų | 14.9 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -63.8 | -37.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | A77 L114 C115 S122 L156 W157 S160 | A77-A118 HydrophobicContact CB-CB 4.12Å; L114-A118 VanDerWaalsContact O-CB 3.25Å; L114-A118 WeakPolarHBondContact O-CB 3.37Å; L114-A118 PolarHBondContact O-N 2.92Å; C115-A118 PolarHBondContact O-N 3.01Å; A118-S122 VanDerWaalsContact O-CB 3.3Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 2.85Å; A118-S122 PolarHBondContact O-OG 2.91Å; A118-L156 HydrophobicContact CB-CD1 4.33Å; A118-W157 HydrophobicContact CB-CD2 4.38Å; A118-W157 HydrophobicContact CB-CE3 4.1Å; A118-W157 HydrophobicContact CB-CH2 4.02Å; A118-W157 HydrophobicContact CB-CZ2 4.29Å; A118-W157 HydrophobicContact CB-CZ3 3.92Å; A118-S160 VanDerWaalsContact CA-OG 3.29Å; A118-S160 WeakPolarHBondContact CA-OG 3.39Å; A118-S160 PolarHBondContact N-OG 3.33Å |
| 119 | S | 93.3 | Very high | 92.4 | Very high | 3 Ų | 3 | 14.7 Ų | 14.7 | 2% | 0.021 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -69 | -48.4 | -178.6 | -59.5 | 0 | 0 | 0 | 0 | 112.2 | A77 C115 C116 T117 S122 L123 | A77-S119 WeakPolarHBondContact CB-OG 3.35Å; C115-S119 WeakPolarHBondContact O-CB 3.08Å; C115-S119 PolarHBondContact O-N 3.42Å; C115-S119 PolarHBondContact O-OG 3.14Å; C116-S119 PolarHBondContact O-N 2.93Å; T117-S119 VanDerWaalsContact C-N 3.3Å; T117-S119 PolarHBondContact O-N 2.79Å; S119-S122 WeakPolarHBondContact O-CB 3.37Å; S119-S122 PolarHBondContact O-N 2.86Å; S119-L123 PolarHBondContact O-N 2.96Å |
| 120 | I | 92.4 | Very high | 92 | Very high | 4 Ų | 4 | 16.5 Ų | 16.5 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -68.7 | -39.7 | 177.7 | -171 | -177.7 | 0 | 0 | 0 | 112.8 | C116 T117 S122 L123 C124 S198 F199 P202 I206 F293 | C116-I120 WeakPolarHBondContact O-CG2 3.14Å; C116-I120 PolarHBondContact O-N 3.11Å; C116-I120 VanDerWaalsContact O-N 3.11Å; T117-I120 WeakPolarHBondContact O-CG2 3.12Å; I120-S122 PolarHBondContact O-N 3.49Å; I120-L123 WeakPolarHBondContact O-CA 3.28Å; I120-L123 WeakPolarHBondContact O-CB 3.44Å; I120-L123 PolarHBondContact O-N 3Å; I120-L123 VanDerWaalsContact O-N 3.07Å; I120-C124 PolarHBondContact O-N 3.4Å; I120-C124 PolarHBondContact O-SG 3.48Å; I120-C124 VanDerWaalsContact O-SG 3.37Å; I120-S198 WeakPolarHBondContact CD1-O 3.26Å; I120-S198 WeakPolarHBondContact CG2-O 3.25Å; I120-F199 HydrophobicContact CD1-CB 4.45Å; I120-F199 HydrophobicContact CD1-CD2 3.82Å; I120-F199 HydrophobicContact CD1-CG 4.48Å; I120-P202 HydrophobicContact CD1-CB 3.6Å; I120-P202 HydrophobicContact CD1-CG 4.31Å; I120-P202 HydrophobicContact CG1-CB 3.85Å; I120-I206 HydrophobicContact CG1-CD1 4.4Å; I120-F293 HydrophobicContact CB-CE1 4.45Å; I120-F293 HydrophobicContact CB-CE2 3.97Å; I120-F293 HydrophobicContact CB-CZ 3.61Å; I120-F293 HydrophobicContact CD1-CE1 3.48Å; I120-F293 VanDerWaalsContact CD1-CE1 3.48Å; I120-F293 HydrophobicContact CD1-CE2 4.44Å; I120-F293 HydrophobicContact CD1-CZ 3.31Å; I120-F293 HydrophobicContact CG1-CE1 3.64Å; I120-F293 HydrophobicContact CG1-CE2 4.02Å; I120-F293 HydrophobicContact CG1-CZ 3.28Å |
| 121 | L | 94.2 | Very high | 91.5 | Very high | 29 Ų | 29 | 17.9 Ų | 17.9 | 15% | 0.152 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -64 | -33.9 | 173.8 | -70.1 | 177.3 | 0 | 0 | 0 | 111.5 | T117 C124 V125 L156 V159 P202 | T117-L121 HydrophobicContact CG2-CD1 3.85Å; T117-L121 HydrophobicContact CG2-CG 4.31Å; T117-L121 WeakPolarHBondContact O-CB 3.45Å; T117-L121 VanDerWaalsContact O-CG 3.26Å; T117-L121 WeakPolarHBondContact O-CG 3.16Å; T117-L121 PolarHBondContact O-N 3.31Å; L121-C124 WeakPolarHBondContact O-CB 3.46Å; L121-C124 PolarHBondContact O-N 3.35Å; L121-V125 WeakPolarHBondContact O-CG2 3.37Å; L121-V125 PolarHBondContact O-N 3.46Å; L121-L156 HydrophobicContact CB-CB 4.02Å; L121-L156 HydrophobicContact CD1-CB 4.36Å; L121-V159 HydrophobicContact CD1-CB 4.15Å; L121-V159 HydrophobicContact CD1-CG1 3.85Å; L121-P202 HydrophobicContact CD2-CB 4.43Å; L121-P202 HydrophobicContact CD2-CG 3.86Å |
| 122 | S | 93.3 | Very high | 91 | Very high | 2 Ų | 2 | 18.3 Ų | 18.3 | 1% | 0.014 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -62.2 | -42.3 | 170.9 | -62.6 | 0 | 0 | 0 | 0 | 111.5 | N73 A118 S119 I120 C124 V125 I126 | N73-S122 PolarHBondContact ND2-OG 3.19Å; A118-S122 VanDerWaalsContact O-CB 3.3Å; A118-S122 WeakPolarHBondContact O-CB 3.35Å; A118-S122 PolarHBondContact O-N 2.85Å; A118-S122 PolarHBondContact O-OG 2.91Å; S119-S122 WeakPolarHBondContact O-CB 3.37Å; S119-S122 PolarHBondContact O-N 2.86Å; I120-S122 PolarHBondContact O-N 3.49Å; S122-C124 VanDerWaalsContact C-N 3.34Å; S122-C124 PolarHBondContact O-N 3.36Å; S122-V125 PolarHBondContact O-N 3.33Å; S122-I126 WeakPolarHBondContact O-CB 3.21Å; S122-I126 WeakPolarHBondContact O-CD1 3.49Å; S122-I126 WeakPolarHBondContact O-CG1 3.35Å; S122-I126 PolarHBondContact O-N 2.93Å |
| 123 | L | 89.3 | Confident | 90.5 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63 | -37.1 | 173.4 | -70.4 | 173.3 | 0 | 0 | 0 | 112.6 | L74 S119 I120 I126 S127 I206 V289 F293 | L74-L123 HydrophobicContact CD2-CD2 3.61Å; L74-L123 HydrophobicContact CD2-CG 4.12Å; S119-L123 PolarHBondContact O-N 2.96Å; I120-L123 WeakPolarHBondContact O-CA 3.28Å; I120-L123 WeakPolarHBondContact O-CB 3.44Å; I120-L123 PolarHBondContact O-N 3Å; I120-L123 VanDerWaalsContact O-N 3.07Å; L123-I126 PolarHBondContact O-N 3.39Å; L123-S127 WeakPolarHBondContact O-CB 3.4Å; L123-S127 PolarHBondContact O-N 2.94Å; L123-S127 PolarHBondContact O-OG 2.64Å; L123-I206 HydrophobicContact CB-CD1 4.15Å; L123-V289 HydrophobicContact CD2-CG1 3.71Å; L123-F293 HydrophobicContact CD1-CB 4.07Å; L123-F293 HydrophobicContact CD1-CD1 4.47Å; L123-F293 HydrophobicContact CD1-CD2 3.26Å; L123-F293 HydrophobicContact CD1-CE2 3.85Å; L123-F293 HydrophobicContact CD1-CG 3.65Å |
| 124 | C | 91.9 | Very high | 89.6 | Confident | 7 Ų | 7 | 19.2 Ų | 19.2 | 5% | 0.047 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -60.7 | -49.4 | 172.4 | -64.5 | 0 | 0 | 0 | 0 | 111.8 | I120 L121 S122 I126 S127 I128 P202 I206 | I120-C124 PolarHBondContact O-N 3.4Å; I120-C124 PolarHBondContact O-SG 3.48Å; I120-C124 VanDerWaalsContact O-SG 3.37Å; L121-C124 WeakPolarHBondContact O-CB 3.46Å; L121-C124 PolarHBondContact O-N 3.35Å; S122-C124 VanDerWaalsContact C-N 3.34Å; S122-C124 PolarHBondContact O-N 3.36Å; C124-I126 VanDerWaalsContact C-N 3.33Å; C124-I126 PolarHBondContact O-N 3.31Å; C124-S127 WeakPolarHBondContact O-CB 3.31Å; C124-S127 PolarHBondContact O-N 3.17Å; C124-S127 VanDerWaalsContact O-N 3.1Å; C124-I128 WeakPolarHBondContact O-CG1 3.38Å; C124-I128 PolarHBondContact O-N 3.48Å; C124-P202 VanDerWaalsContact SG-C 3.59Å; C124-P202 WeakPolarHBondContact SG-CA 3.38Å; C124-P202 WeakPolarHBondContact SG-CB 3.28Å; C124-P202 PolarHBondContact SG-O 2.92Å; C124-I206 HydrophobicContact CB-CG1 4.24Å; C124-I206 VanDerWaalsContact SG-CD1 3.55Å; C124-I206 VanDerWaalsContact SG-CG1 3.55Å |
| 125 | V | 91.9 | Very high | 88.9 | Confident | 30 Ų | 30 | 18.8 Ų | 18.8 | 18% | 0.182 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -63 | -41.5 | 179.8 | 172.5 | 0 | 0 | 0 | 0 | 110.8 | F70 L121 S122 S127 I128 D129 A152 L156 | F70-V125 HydrophobicContact CD1-CG1 3.81Å; F70-V125 HydrophobicContact CD2-CG1 3.98Å; F70-V125 HydrophobicContact CE1-CG1 3.51Å; F70-V125 HydrophobicContact CE2-CG1 3.66Å; F70-V125 HydrophobicContact CG-CG1 4.05Å; F70-V125 HydrophobicContact CZ-CG1 3.43Å; F70-V125 VanDerWaalsContact CZ-CG1 3.43Å; L121-V125 WeakPolarHBondContact O-CG2 3.37Å; L121-V125 PolarHBondContact O-N 3.46Å; S122-V125 PolarHBondContact O-N 3.33Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 3.42Å; V125-I128 PolarHBondContact O-N 2.72Å; V125-D129 WeakPolarHBondContact O-CB 3.27Å; V125-D129 PolarHBondContact O-N 2.96Å; V125-A152 HydrophobicContact CG1-CB 4.48Å; V125-L156 HydrophobicContact CG2-CD2 4.4Å |
| 126 | I | 89.1 | Confident | 88.2 | Confident | 11 Ų | 11 | 23.7 Ų | 23.7 | 6% | 0.056 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -58.8 | -45.7 | 172.5 | -68.6 | 164.2 | 0 | 0 | 0 | 109.9 | F70 L74 S122 L123 C124 I128 D129 R130 L286 | F70-I126 HydrophobicContact CB-CD1 4.29Å; F70-I126 HydrophobicContact CB-CG1 3.63Å; L74-I126 HydrophobicContact CB-CD1 4.47Å; L74-I126 HydrophobicContact CD2-CD1 3.88Å; S122-I126 WeakPolarHBondContact O-CB 3.21Å; S122-I126 WeakPolarHBondContact O-CD1 3.49Å; S122-I126 WeakPolarHBondContact O-CG1 3.35Å; S122-I126 PolarHBondContact O-N 2.93Å; L123-I126 PolarHBondContact O-N 3.39Å; C124-I126 VanDerWaalsContact C-N 3.33Å; C124-I126 PolarHBondContact O-N 3.31Å; I126-I128 VanDerWaalsContact C-N 3.33Å; I126-I128 PolarHBondContact O-N 2.73Å; I126-D129 PolarHBondContact O-N 3.04Å; I126-R130 HydrophobicContact CG2-CG 4.2Å; I126-R130 WeakPolarHBondContact O-CB 3.27Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 3.16Å; I126-L286 HydrophobicContact CG2-CD2 4.15Å |
| 127 | S | 87 | Confident | 87.5 | Confident | 3 Ų | 3 | 25.6 Ų | 25.6 | 2% | 0.021 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.2 | -41.2 | 179.6 | -55.2 | 0 | 0 | 0 | 0 | 112.3 | L123 C124 V125 R130 Y131 Y210 | L123-S127 WeakPolarHBondContact O-CB 3.4Å; L123-S127 PolarHBondContact O-N 2.94Å; L123-S127 PolarHBondContact O-OG 2.64Å; C124-S127 WeakPolarHBondContact O-CB 3.31Å; C124-S127 PolarHBondContact O-N 3.17Å; C124-S127 VanDerWaalsContact O-N 3.1Å; V125-S127 VanDerWaalsContact C-N 3.32Å; V125-S127 PolarHBondContact O-N 3.42Å; S127-R130 PolarHBondContact O-N 3.32Å; S127-Y131 WeakPolarHBondContact O-CB 3.49Å; S127-Y131 PolarHBondContact O-N 3.48Å; S127-Y210 WeakPolarHBondContact OG-CE2 3.31Å |
| 128 | I | 89.1 | Confident | 86.8 | Confident | 67 Ų | 67 | 33.3 Ų | 33.3 | 34% | 0.344 | 17% | 0.172 | S | C | . | . | H | α-helix | trans | -66.3 | -46.7 | 175 | -66 | 166.1 | 0 | 0 | 0 | 110.9 | C124 V125 I126 R130 Y131 L132 I205 M209 | C124-I128 WeakPolarHBondContact O-CG1 3.38Å; C124-I128 PolarHBondContact O-N 3.48Å; V125-I128 PolarHBondContact O-N 2.72Å; I126-I128 VanDerWaalsContact C-N 3.33Å; I126-I128 PolarHBondContact O-N 2.73Å; I128-R130 VanDerWaalsContact C-N 3.26Å; I128-R130 PolarHBondContact O-N 3.16Å; I128-Y131 WeakPolarHBondContact O-CB 3.33Å; I128-Y131 PolarHBondContact O-N 3.06Å; I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 HydrophobicContact CG2-CG 4.4Å; I128-L132 WeakPolarHBondContact O-CG 3.21Å; I128-L132 PolarHBondContact O-N 3.37Å; I128-I205 HydrophobicContact CD1-CG2 4.22Å; I128-I205 HydrophobicContact CG1-CG2 4.47Å; I128-M209 HydrophobicContact CG1-CG 3.92Å; I128-M209 HydrophobicContact CG1-SD 4.24Å |
| 129 | D | 88.1 | Confident | 86.1 | Confident | 11 Ų | 11 | 41.6 Ų | 41.6 | 6% | 0.059 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55.9 | -43.8 | 176.9 | 171.8 | 74.3 | 0 | 0 | 0 | 111.3 | T67 F70 V125 I126 L132 A133 Y140 | T67-D129 PolarHBondContact OG1-OD2 2.9Å; F70-D129 HydrophobicContact CD2-CB 4.14Å; F70-D129 HydrophobicContact CE2-CB 3.96Å; V125-D129 WeakPolarHBondContact O-CB 3.27Å; V125-D129 PolarHBondContact O-N 2.96Å; I126-D129 PolarHBondContact O-N 3.04Å; D129-L132 PolarHBondContact O-N 2.85Å; D129-A133 WeakPolarHBondContact O-CB 3.34Å; D129-A133 PolarHBondContact O-N 3.03Å; D129-Y140 VanDerWaalsContact OD1-CE2 3.28Å; D129-Y140 WeakPolarHBondContact OD1-CE2 3.44Å; D129-Y140 PolarHBondContact OD1-OH 2.85Å; D129-Y140 PolarHBondContact OD2-OH 2.92Å |
| 130 | R | 83.1 | Confident | 85.7 | Confident | 53 Ų | 53 | 43.1 Ų | 43.1 | 20% | 0.2 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -68.2 | -41.2 | 178.3 | -63.5 | -67.1 | 90.8 | -156.2 | -10.4 | 111.9 | T67 I126 S127 I128 L132 A133 V134 Y140 L286 | T67-R130 PolarHBondContact OG1-NH2 3.2Å; I126-R130 HydrophobicContact CG2-CG 4.2Å; I126-R130 WeakPolarHBondContact O-CB 3.27Å; I126-R130 WeakPolarHBondContact O-CG 3.49Å; I126-R130 PolarHBondContact O-N 3.16Å; S127-R130 PolarHBondContact O-N 3.32Å; I128-R130 VanDerWaalsContact C-N 3.26Å; I128-R130 PolarHBondContact O-N 3.16Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 2.81Å; R130-A133 PolarHBondContact O-N 3.01Å; R130-V134 WeakPolarHBondContact O-CG2 3.32Å; R130-V134 PolarHBondContact O-N 3.04Å; R130-Y140 PolarHBondContact NH2-OH 3.44Å; R130-L286 HydrophobicContact CB-CD1 3.59Å; R130-L286 HydrophobicContact CG-CD1 3.33Å; R130-L286 HydrophobicContact CG-CD2 3.8Å; R130-L286 HydrophobicContact CG-CG 4.2Å |
| 131 | Y | 83.5 | Confident | 85.2 | Confident | 40 Ų | 40 | 47.4 Ų | 47.4 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -58 | -46.2 | 172.1 | 169.9 | -105.9 | 0 | 0 | 0 | 112.1 | S127 I128 A133 V134 S135 Y136 M209 Q212 V213 | S127-Y131 WeakPolarHBondContact O-CB 3.49Å; S127-Y131 PolarHBondContact O-N 3.48Å; I128-Y131 WeakPolarHBondContact O-CB 3.33Å; I128-Y131 PolarHBondContact O-N 3.06Å; Y131-A133 VanDerWaalsContact C-N 3.34Å; Y131-A133 PolarHBondContact O-N 3.13Å; Y131-V134 PolarHBondContact O-N 3.2Å; Y131-S135 WeakPolarHBondContact CD2-OG 3.39Å; Y131-S135 WeakPolarHBondContact CE2-OG 3.3Å; Y131-S135 WeakPolarHBondContact O-CB 3.33Å; Y131-S135 PolarHBondContact O-N 3.28Å; Y131-S135 PolarHBondContact O-OG 2.89Å; Y131-S135 VanDerWaalsContact O-OG 3.08Å; Y131-Y136 HydrophobicContact CE1-CE2 4.31Å; Y131-M209 HydrophobicContact CD1-SD 3.8Å; Y131-M209 HydrophobicContact CE1-SD 4.4Å; Y131-M209 HydrophobicContact CG-SD 3.98Å; Y131-Q212 HydrophobicContact CD2-CB 3.82Å; Y131-Q212 HydrophobicContact CE2-CB 3.5Å; Y131-Q212 VanDerWaalsContact CE2-CB 3.5Å; Y131-Q212 HydrophobicContact CE2-CG 4.44Å; Y131-V213 HydrophobicContact CD2-CG2 3.89Å; Y131-V213 HydrophobicContact CG-CG2 4.34Å |
| 132 | L | 85.7 | Confident | 84.7 | Confident | 45 Ų | 45 | 49.7 Ų | 49.7 | 24% | 0.236 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -64.5 | -39 | 178.5 | -68.1 | 173.6 | 0 | 0 | 0 | 112.3 | I128 D129 R130 Y136 Y140 I143 | I128-L132 HydrophobicContact CG2-CD1 4.09Å; I128-L132 HydrophobicContact CG2-CG 4.4Å; I128-L132 WeakPolarHBondContact O-CG 3.21Å; I128-L132 PolarHBondContact O-N 3.37Å; D129-L132 PolarHBondContact O-N 2.85Å; R130-L132 VanDerWaalsContact C-N 3.35Å; R130-L132 PolarHBondContact O-N 2.81Å; L132-Y136 HydrophobicContact CD2-CD2 4.12Å; L132-Y136 HydrophobicContact CD2-CE2 4.45Å; L132-Y136 CarbonylContact O-C 3.59Å; L132-Y136 PolarHBondContact O-N 3.33Å; L132-Y140 HydrophobicContact CB-CD2 4.03Å; L132-Y140 HydrophobicContact CB-CE2 4.48Å; L132-I143 HydrophobicContact CD1-CG2 4.4Å |
| 133 | A | 81.8 | Confident | 84.2 | Confident | 15 Ų | 15 | 52.4 Ų | 52.4 | 12% | 0.124 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.7 | -42.9 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | D129 R130 Y131 Y140 | D129-A133 WeakPolarHBondContact O-CB 3.34Å; D129-A133 PolarHBondContact O-N 3.03Å; R130-A133 PolarHBondContact O-N 3.01Å; Y131-A133 VanDerWaalsContact C-N 3.34Å; Y131-A133 PolarHBondContact O-N 3.13Å; A133-Y140 HydrophobicContact CB-CD1 4.34Å; A133-Y140 HydrophobicContact CB-CD2 3.87Å; A133-Y140 HydrophobicContact CB-CE1 4.32Å; A133-Y140 HydrophobicContact CB-CE2 3.83Å; A133-Y140 HydrophobicContact CB-CG 4.12Å |
| 134 | V | 76.4 | Confident | 83.8 | Confident | 31 Ų | 31 | 53.5 Ų | 53.5 | 19% | 0.188 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -77.8 | -43.7 | -178.4 | 174.4 | 0 | 0 | 0 | 0 | 111.8 | R130 Y131 V213 V216 | R130-V134 WeakPolarHBondContact O-CG2 3.32Å; R130-V134 PolarHBondContact O-N 3.04Å; Y131-V134 PolarHBondContact O-N 3.2Å; V134-V213 HydrophobicContact CG1-CG1 4.43Å; V134-V216 HydrophobicContact CG1-CG1 4.48Å |
| 135 | S | 78.9 | Confident | 83.5 | Confident | 23 Ų | 23 | 55.7 Ų | 55.7 | 16% | 0.161 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -80.2 | -27.5 | -174.4 | -58.8 | 0 | 0 | 0 | 0 | 113.3 | Y131 | Y131-S135 WeakPolarHBondContact CD2-OG 3.39Å; Y131-S135 WeakPolarHBondContact CE2-OG 3.3Å; Y131-S135 WeakPolarHBondContact O-CB 3.33Å; Y131-S135 PolarHBondContact O-N 3.28Å; Y131-S135 PolarHBondContact O-OG 2.89Å; Y131-S135 VanDerWaalsContact O-OG 3.08Å |
| 136 | Y | 80.4 | Confident | 83.1 | Confident | 103 Ų | 103 | 56.7 Ų | 56.7 | 40% | 0.404 | 31% | 0.313 | S | S | . | . | trans | -134.8 | 60.9 | -176 | -54.2 | -72.4 | 0 | 0 | 0 | 112.9 | Y131 L132 L138 R139 Y140 | Y131-Y136 HydrophobicContact CE1-CE2 4.31Å; L132-Y136 HydrophobicContact CD2-CD2 4.12Å; L132-Y136 HydrophobicContact CD2-CE2 4.45Å; L132-Y136 CarbonylContact O-C 3.59Å; L132-Y136 PolarHBondContact O-N 3.33Å; Y136-L138 PolarHBondContact O-N 2.89Å; Y136-L138 VanDerWaalsContact O-N 3.09Å; Y136-R139 PolarHBondContact O-N 2.89Å; Y136-Y140 WeakPolarHBondContact O-CB 3.43Å; Y136-Y140 PolarHBondContact O-N 2.91Å | ||
| 137 | P | 77.9 | Confident | 83.1 | Confident | 54 Ų | 54 | 66.7 Ų | 66.7 | 35% | 0.351 | 35% | 0.35 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -29 | -171.4 | 23.4 | -34.9 | 0 | 0 | 0 | 114.3 | P141 | P137-P141 WeakPolarHBondContact O-CD 3.27Š|
| 138 | L | 79.5 | Confident | 83.2 | Confident | 165 Ų | 165 | 73.8 Ų | 73.8 | 86% | 0.864 | 38% | 0.377 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -28.1 | 178.3 | -62.4 | 177.5 | 0 | 0 | 0 | 113.5 | Y136 | Y136-L138 PolarHBondContact O-N 2.89Å; Y136-L138 VanDerWaalsContact O-N 3.09Å |
| 139 | R | 82.1 | Confident | 83.2 | Confident | 174 Ų | 174 | 71 Ų | 71 | 66% | 0.657 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.4 | -23.5 | 179.8 | -63.7 | -176.9 | 177.1 | -179.5 | -0.8 | 112.1 | Y136 A142 I143 | Y136-R139 PolarHBondContact O-N 2.89Å; R139-A142 PolarHBondContact O-N 3.44Å; R139-I143 HydrophobicContact CB-CD1 3.94Å; R139-I143 WeakPolarHBondContact O-CG1 3.22Å; R139-I143 PolarHBondContact O-N 3.25Å; R139-I143 VanDerWaalsContact O-N 3.13Å |
| 140 | Y | 83.6 | Confident | 83.3 | Confident | 35 Ų | 35 | 76.4 Ų | 76.4 | 14% | 0.137 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -51.4 | -46.9 | -179.1 | 177.7 | -100.1 | 0 | 0 | 0 | 113.4 | T67 D129 R130 L132 A133 Y136 A142 I143 A144 | T67-Y140 PolarHBondContact OG1-OH 3.34Å; D129-Y140 VanDerWaalsContact OD1-CE2 3.28Å; D129-Y140 WeakPolarHBondContact OD1-CE2 3.44Å; D129-Y140 PolarHBondContact OD1-OH 2.85Å; D129-Y140 PolarHBondContact OD2-OH 2.92Å; R130-Y140 PolarHBondContact NH2-OH 3.44Å; L132-Y140 HydrophobicContact CB-CD2 4.03Å; L132-Y140 HydrophobicContact CB-CE2 4.48Å; A133-Y140 HydrophobicContact CB-CD1 4.34Å; A133-Y140 HydrophobicContact CB-CD2 3.87Å; A133-Y140 HydrophobicContact CB-CE1 4.32Å; A133-Y140 HydrophobicContact CB-CE2 3.83Å; A133-Y140 HydrophobicContact CB-CG 4.12Å; Y136-Y140 WeakPolarHBondContact O-CB 3.43Å; Y136-Y140 PolarHBondContact O-N 2.91Å; Y140-A142 PolarHBondContact O-N 2.98Å; Y140-I143 PolarHBondContact O-N 3.4Å; Y140-A144 HydrophobicContact CD1-CB 4.27Å; Y140-A144 HydrophobicContact CD2-CB 4.13Å; Y140-A144 HydrophobicContact CE1-CB 3.87Å; Y140-A144 HydrophobicContact CE2-CB 3.72Å; Y140-A144 HydrophobicContact CG-CB 4.39Å; Y140-A144 VanDerWaalsContact O-CB 3.28Å; Y140-A144 WeakPolarHBondContact O-CB 3.29Å; Y140-A144 PolarHBondContact O-N 3.41Å |
| 141 | P | 81.7 | Confident | 83.7 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 60% | 0.604 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -61.6 | -29.5 | 179.6 | -23.4 | 34.8 | 0 | 0 | 0 | 114 | P137 | P137-P141 WeakPolarHBondContact O-CD 3.27Å |
| 142 | A | 83.6 | Confident | 84.1 | Confident | 78 Ų | 78 | 78.1 Ų | 78.1 | 65% | 0.645 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -79.9 | -26 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | R139 Y140 | R139-A142 PolarHBondContact O-N 3.44Å; Y140-A142 PolarHBondContact O-N 2.98Å |
| 143 | I | 82.8 | Confident | 84.5 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 30% | 0.303 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -87.2 | -42.9 | -178.7 | -62.9 | 165.6 | 0 | 0 | 0 | 111.2 | L132 R139 Y140 T145 R148 | L132-I143 HydrophobicContact CD1-CG2 4.4Å; R139-I143 HydrophobicContact CB-CD1 3.94Å; R139-I143 WeakPolarHBondContact O-CG1 3.22Å; R139-I143 PolarHBondContact O-N 3.25Å; R139-I143 VanDerWaalsContact O-N 3.13Å; Y140-I143 PolarHBondContact O-N 3.4Å; I143-T145 PolarHBondContact O-N 2.89Å; I143-R148 WeakPolarHBondContact O-CD 3.39Å |
| 144 | A | 81.8 | Confident | 85.2 | Confident | 26 Ų | 26 | 79.4 Ų | 79.4 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | trans | -77.7 | 67 | -174.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | V66 Y140 | V66-A144 HydrophobicContact CB-CB 4.4Å; V66-A144 HydrophobicContact CG2-CB 3.93Å; V66-A144 WeakPolarHBondContact CG2-O 3.28Å; Y140-A144 HydrophobicContact CD1-CB 4.27Å; Y140-A144 HydrophobicContact CD2-CB 4.13Å; Y140-A144 HydrophobicContact CE1-CB 3.87Å; Y140-A144 HydrophobicContact CE2-CB 3.72Å; Y140-A144 HydrophobicContact CG-CB 4.39Å; Y140-A144 VanDerWaalsContact O-CB 3.28Å; Y140-A144 WeakPolarHBondContact O-CB 3.29Å; Y140-A144 PolarHBondContact O-N 3.41Å | ||
| 145 | T | 86.5 | Confident | 86.1 | Confident | 54 Ų | 54 | 80.6 Ų | 80.6 | 33% | 0.331 | 45% | 0.445 | S | S | . | . | trans | -91.7 | 145 | 175.6 | 64.8 | 0 | 0 | 0 | 0 | 111 | I143 R147 R148 G149 | I143-T145 PolarHBondContact O-N 2.89Å; T145-R147 VanDerWaalsContact C-N 3.27Å; T145-R147 PolarHBondContact O-N 3.46Å; T145-R148 PolarHBondContact O-N 3.22Å; T145-R148 VanDerWaalsContact OG1-CG 3.31Å; T145-R148 WeakPolarHBondContact OG1-CG 3.37Å; T145-G149 PolarHBondContact O-N 2.95Å | ||
| 146 | G | 83.6 | Confident | 86.9 | Confident | 51 Ų | 51 | 79.9 Ų | 79.9 | 53% | 0.526 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -58.9 | -35.6 | 179.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | G149 L150 | G146-G149 PolarHBondContact O-N 3.36Å; G146-L150 WeakPolarHBondContact O-CB 3.38Å; G146-L150 PolarHBondContact O-N 3.31Å |
| 147 | R | 87.5 | Confident | 87.7 | Confident | 220 Ų | 220 | 78.2 Ų | 78.2 | 83% | 0.83 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -61.7 | -47.1 | 176.2 | -69.1 | -175.2 | -178.8 | 178.6 | 0.4 | 111.9 | T145 G149 L150 T151 | T145-R147 VanDerWaalsContact C-N 3.27Å; T145-R147 PolarHBondContact O-N 3.46Å; R147-G149 VanDerWaalsContact C-N 3.34Å; R147-G149 PolarHBondContact O-N 3.35Å; R147-L150 PolarHBondContact O-N 3.5Å; R147-T151 PolarHBondContact O-N 3.34Å; R147-T151 PolarHBondContact O-OG1 3.18Å |
| 148 | R | 89.3 | Confident | 88.6 | Confident | 153 Ų | 153 | 77.7 Ų | 77.7 | 58% | 0.577 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -64.8 | -39 | 177.2 | -71.4 | 179.3 | 178.6 | 178.1 | -2.9 | 111.8 | I143 T145 T151 A152 | I143-R148 WeakPolarHBondContact O-CD 3.39Å; T145-R148 PolarHBondContact O-N 3.22Å; T145-R148 VanDerWaalsContact OG1-CG 3.31Å; T145-R148 WeakPolarHBondContact OG1-CG 3.37Å; R148-T151 PolarHBondContact O-N 2.89Å; R148-A152 WeakPolarHBondContact O-CB 3.23Å; R148-A152 PolarHBondContact O-N 3.22Å |
| 149 | G | 89.5 | Confident | 89.4 | Confident | 9 Ų | 9 | 73.3 Ų | 73.3 | 9% | 0.093 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -59.8 | -47.3 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T145 G146 R147 T151 A152 V153 | T145-G149 PolarHBondContact O-N 2.95Å; G146-G149 PolarHBondContact O-N 3.36Å; R147-G149 VanDerWaalsContact C-N 3.34Å; R147-G149 PolarHBondContact O-N 3.35Å; G149-T151 PolarHBondContact O-N 3.04Å; G149-A152 WeakPolarHBondContact O-CB 3.34Å; G149-A152 PolarHBondContact O-N 2.91Å; G149-V153 WeakPolarHBondContact O-CG2 3.12Å; G149-V153 PolarHBondContact O-N 3.26Å |
| 150 | L | 89.9 | Confident | 90.1 | Very high | 123 Ų | 123 | 65 Ų | 65 | 64% | 0.644 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -64 | -41 | 176.8 | -175.4 | 63.8 | 0 | 0 | 0 | 112.1 | G146 R147 A152 V153 A154 | G146-L150 WeakPolarHBondContact O-CB 3.38Å; G146-L150 PolarHBondContact O-N 3.31Å; R147-L150 PolarHBondContact O-N 3.5Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.89Å; L150-V153 PolarHBondContact O-N 3.02Å; L150-A154 PolarHBondContact O-N 3.49Å |
| 151 | T | 91.6 | Very high | 90.7 | Very high | 98 Ų | 98 | 65.5 Ų | 65.5 | 60% | 0.601 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -61.2 | -41 | 173.8 | -57.5 | 0 | 0 | 0 | 0 | 111.6 | R147 R148 G149 V153 A154 A155 | R147-T151 PolarHBondContact O-N 3.34Å; R147-T151 PolarHBondContact O-OG1 3.18Å; R148-T151 PolarHBondContact O-N 2.89Å; G149-T151 PolarHBondContact O-N 3.04Å; T151-V153 VanDerWaalsContact C-N 3.34Å; T151-V153 PolarHBondContact O-N 3.16Å; T151-A154 PolarHBondContact O-N 3.29Å; T151-A155 VanDerWaalsContact O-CB 3.31Å; T151-A155 WeakPolarHBondContact O-CB 3.41Å; T151-A155 PolarHBondContact O-N 3.04Å |
| 152 | A | 92.6 | Very high | 91.3 | Very high | 31 Ų | 31 | 64.1 Ų | 64.1 | 26% | 0.256 | 39% | 0.392 | S | S | . | . | H | α-helix | trans | -63.5 | -40.1 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | F70 V125 R148 G149 L150 A155 L156 | F70-A152 HydrophobicContact CE1-CB 4.37Å; V125-A152 HydrophobicContact CG1-CB 4.48Å; R148-A152 WeakPolarHBondContact O-CB 3.23Å; R148-A152 PolarHBondContact O-N 3.22Å; G149-A152 WeakPolarHBondContact O-CB 3.34Å; G149-A152 PolarHBondContact O-N 2.91Å; L150-A152 VanDerWaalsContact C-N 3.32Å; L150-A152 PolarHBondContact O-N 2.89Å; A152-A155 PolarHBondContact O-N 3.08Å; A152-L156 PolarHBondContact O-N 3.2Å |
| 153 | V | 94.2 | Very high | 91.8 | Very high | 24 Ų | 24 | 61 Ų | 61 | 15% | 0.145 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -66 | -43.5 | 173.9 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | F70 N73 G149 L150 T151 A155 L156 W157 | F70-V153 HydrophobicContact CD1-CG2 4Å; F70-V153 HydrophobicContact CE1-CG2 4.05Å; N73-V153 HydrophobicContact CB-CG2 4.31Å; N73-V153 VanDerWaalsContact OD1-CG1 3.22Å; N73-V153 WeakPolarHBondContact OD1-CG1 3.34Å; G149-V153 WeakPolarHBondContact O-CG2 3.12Å; G149-V153 PolarHBondContact O-N 3.26Å; L150-V153 PolarHBondContact O-N 3.02Å; T151-V153 VanDerWaalsContact C-N 3.34Å; T151-V153 PolarHBondContact O-N 3.16Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 2.96Å; V153-L156 HydrophobicContact CB-CD2 4.49Å; V153-L156 HydrophobicContact CG2-CD2 4.36Å; V153-L156 VanDerWaalsContact O-CG 3.31Å; V153-L156 WeakPolarHBondContact O-CG 3.4Å; V153-L156 PolarHBondContact O-N 2.95Å; V153-W157 PolarHBondContact O-N 3.5Å; V153-W157 VanDerWaalsContact O-N 3.13Å |
| 154 | A | 95.4 | Very high | 92.4 | Very high | 64 Ų | 64 | 58.6 Ų | 58.6 | 53% | 0.529 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -62.3 | -41.9 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | L150 T151 W157 G158 | L150-A154 PolarHBondContact O-N 3.49Å; T151-A154 PolarHBondContact O-N 3.29Å; A154-W157 PolarHBondContact O-N 3.42Å; A154-G158 PolarHBondContact O-N 3.49Å |
| 155 | A | 95.4 | Very high | 92.8 | Very high | 56 Ų | 56 | 59.5 Ų | 59.5 | 46% | 0.463 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -64.7 | -44 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | T151 A152 V153 W157 G158 V159 | T151-A155 VanDerWaalsContact O-CB 3.31Å; T151-A155 WeakPolarHBondContact O-CB 3.41Å; T151-A155 PolarHBondContact O-N 3.04Å; A152-A155 PolarHBondContact O-N 3.08Å; V153-A155 VanDerWaalsContact C-N 3.31Å; V153-A155 PolarHBondContact O-N 2.96Å; A155-W157 VanDerWaalsContact C-N 3.35Å; A155-W157 PolarHBondContact O-N 3.43Å; A155-G158 PolarHBondContact O-N 3.26Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 3.39Å |
| 156 | L | 95.6 | Very high | 93 | Very high | 8 Ų | 8 | 57.5 Ų | 57.5 | 4% | 0.042 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -64.6 | -39.2 | 178.6 | 73.2 | 84.9 | 0 | 0 | 0 | 111.8 | A118 L121 V125 A152 V153 V159 S160 | A118-L156 HydrophobicContact CB-CD1 4.33Å; L121-L156 HydrophobicContact CB-CB 4.02Å; L121-L156 HydrophobicContact CD1-CB 4.36Å; V125-L156 HydrophobicContact CG2-CD2 4.4Å; A152-L156 PolarHBondContact O-N 3.2Å; V153-L156 HydrophobicContact CB-CD2 4.49Å; V153-L156 HydrophobicContact CG2-CD2 4.36Å; V153-L156 VanDerWaalsContact O-CG 3.31Å; V153-L156 WeakPolarHBondContact O-CG 3.4Å; V153-L156 PolarHBondContact O-N 2.95Å; L156-V159 PolarHBondContact O-N 2.82Å; L156-S160 WeakPolarHBondContact O-CB 3.34Å; L156-S160 PolarHBondContact O-N 2.89Å; L156-S160 PolarHBondContact O-OG 2.73Å |
| 157 | W | 97.3 | Very high | 93.2 | Very high | 68 Ų | 68 | 56 Ų | 56 | 26% | 0.258 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -67.2 | -39.7 | 175.9 | -80.3 | 107.4 | 0 | 0 | 0 | 111.4 | N73 A77 L80 L114 A118 V153 A154 A155 S160 A161 | N73-W157 PolarHBondContact OD1-NE1 3.29Å; A77-W157 HydrophobicContact CB-CH2 4.2Å; A77-W157 HydrophobicContact CB-CZ2 4.19Å; L80-W157 HydrophobicContact CD2-CH2 4.17Å; L80-W157 HydrophobicContact CD2-CZ3 4.39Å; L114-W157 HydrophobicContact CD1-CE3 4.35Å; L114-W157 HydrophobicContact CD1-CZ3 4.5Å; L114-W157 HydrophobicContact CD2-CZ3 4.32Å; L114-W157 HydrophobicContact CG-CZ3 4.17Å; A118-W157 HydrophobicContact CB-CD2 4.38Å; A118-W157 HydrophobicContact CB-CE3 4.1Å; A118-W157 HydrophobicContact CB-CH2 4.02Å; A118-W157 HydrophobicContact CB-CZ2 4.29Å; A118-W157 HydrophobicContact CB-CZ3 3.92Å; V153-W157 PolarHBondContact O-N 3.5Å; V153-W157 VanDerWaalsContact O-N 3.13Å; A154-W157 PolarHBondContact O-N 3.42Å; A155-W157 VanDerWaalsContact C-N 3.35Å; A155-W157 PolarHBondContact O-N 3.43Å; W157-S160 PolarHBondContact O-N 2.71Å; W157-A161 WeakPolarHBondContact O-CB 3.32Å; W157-A161 PolarHBondContact O-N 2.67Å |
| 158 | G | 97 | Very high | 93.2 | Very high | 42 Ų | 42 | 49.8 Ų | 49.8 | 43% | 0.433 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.3 | -46.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113 | A154 A155 A161 A162 | A154-G158 PolarHBondContact O-N 3.49Å; A155-G158 PolarHBondContact O-N 3.26Å; G158-A161 PolarHBondContact O-N 2.88Å; G158-A162 WeakPolarHBondContact O-CB 3.48Å; G158-A162 PolarHBondContact O-N 2.85Å |
| 159 | V | 95.8 | Very high | 93.2 | Very high | 74 Ų | 74 | 50.7 Ų | 50.7 | 45% | 0.448 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -63.9 | -42.3 | 175.8 | 172.4 | 0 | 0 | 0 | 0 | 111 | L121 A155 L156 A161 A162 I163 | L121-V159 HydrophobicContact CD1-CB 4.15Å; L121-V159 HydrophobicContact CD1-CG1 3.85Å; A155-V159 WeakPolarHBondContact O-CG2 3.43Å; A155-V159 PolarHBondContact O-N 3.39Å; L156-V159 PolarHBondContact O-N 2.82Å; V159-A161 PolarHBondContact O-N 3.1Å; V159-A162 PolarHBondContact O-N 2.96Å; V159-I163 HydrophobicContact CG1-CD1 3.91Å; V159-I163 WeakPolarHBondContact O-CG1 3.25Å; V159-I163 PolarHBondContact O-N 3.46Å; V159-I163 VanDerWaalsContact O-N 3.08Å |
| 160 | S | 97 | Very high | 93 | Very high | 0 Ų | 0 | 52.9 Ų | 52.9 | 0% | 0 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -61.8 | -44.2 | 178.1 | -54.3 | 0 | 0 | 0 | 0 | 111.5 | A118 L156 W157 I163 S164 | A118-S160 VanDerWaalsContact CA-OG 3.29Å; A118-S160 WeakPolarHBondContact CA-OG 3.39Å; A118-S160 PolarHBondContact N-OG 3.33Å; L156-S160 WeakPolarHBondContact O-CB 3.34Å; L156-S160 PolarHBondContact O-N 2.89Å; L156-S160 PolarHBondContact O-OG 2.73Å; W157-S160 PolarHBondContact O-N 2.71Å; S160-I163 PolarHBondContact O-N 3.47Å; S160-S164 WeakPolarHBondContact O-CB 3.32Å; S160-S164 PolarHBondContact O-N 2.95Å; S160-S164 PolarHBondContact O-OG 3.08Å |
| 161 | A | 96.1 | Very high | 92.9 | Very high | 45 Ų | 45 | 52.1 Ų | 52.1 | 37% | 0.372 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.7 | -38.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | L114 W157 G158 V159 I163 S164 V165 | L114-A161 HydrophobicContact CD1-CB 3.94Å; W157-A161 WeakPolarHBondContact O-CB 3.32Å; W157-A161 PolarHBondContact O-N 2.67Å; G158-A161 PolarHBondContact O-N 2.88Å; V159-A161 PolarHBondContact O-N 3.1Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 3.49Å; A161-S164 WeakPolarHBondContact CA-OG 3.48Å; A161-S164 PolarHBondContact O-N 3.45Å; A161-S164 PolarHBondContact O-OG 3.19Å; A161-V165 WeakPolarHBondContact O-CB 3.42Å; A161-V165 PolarHBondContact O-N 2.92Å; A161-V165 VanDerWaalsContact O-N 3.14Å |
| 162 | A | 94.8 | Very high | 92.6 | Very high | 64 Ų | 64 | 49.8 Ų | 49.8 | 53% | 0.529 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -62.7 | -36.2 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | G158 V159 | G158-A162 WeakPolarHBondContact O-CB 3.48Å; G158-A162 PolarHBondContact O-N 2.85Å; V159-A162 PolarHBondContact O-N 2.96Å |
| 163 | I | 94 | Very high | 92.2 | Very high | 11 Ų | 11 | 51.5 Ų | 51.5 | 6% | 0.056 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -76.1 | -37.7 | 177.2 | -64.5 | 164.7 | 0 | 0 | 0 | 111.4 | V113 T117 V159 S160 A161 Y190 F193 S198 | V113-I163 HydrophobicContact CG1-CG2 4.27Å; T117-I163 HydrophobicContact CG2-CD1 3.92Å; V159-I163 HydrophobicContact CG1-CD1 3.91Å; V159-I163 WeakPolarHBondContact O-CG1 3.25Å; V159-I163 PolarHBondContact O-N 3.46Å; V159-I163 VanDerWaalsContact O-N 3.08Å; S160-I163 PolarHBondContact O-N 3.47Å; A161-I163 VanDerWaalsContact C-N 3.28Å; A161-I163 PolarHBondContact O-N 3.49Å; I163-Y190 WeakPolarHBondContact O-CE2 3.4Å; I163-Y190 PolarHBondContact O-OH 3.02Å; I163-F193 HydrophobicContact CB-CE1 4.46Å; I163-F193 HydrophobicContact CG1-CE1 4.24Å; I163-F193 HydrophobicContact CG1-CZ 4.31Å; I163-F193 HydrophobicContact CG2-CE1 4.29Å; I163-S198 WeakPolarHBondContact CG2-OG 3.5Å |
| 164 | S | 94.5 | Very high | 91.6 | Very high | 9 Ų | 9 | 56.3 Ų | 56.3 | 6% | 0.063 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -76.4 | -22.8 | -174.9 | 70.6 | 0 | 0 | 0 | 0 | 114.7 | A110 S160 A161 P167 | A110-S164 VanDerWaalsContact O-CB 3.29Å; A110-S164 WeakPolarHBondContact O-CB 3.24Å; S160-S164 WeakPolarHBondContact O-CB 3.32Å; S160-S164 PolarHBondContact O-N 2.95Å; S160-S164 PolarHBondContact O-OG 3.08Å; A161-S164 WeakPolarHBondContact CA-OG 3.48Å; A161-S164 PolarHBondContact O-N 3.45Å; A161-S164 PolarHBondContact O-OG 3.19Å; S164-P167 WeakPolarHBondContact O-CD 3.28Å |
| 165 | V | 91.6 | Very high | 90.9 | Very high | 46 Ų | 46 | 57.4 Ų | 57.4 | 28% | 0.279 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -15.1 | -173.1 | 78 | 0 | 0 | 0 | 0 | 113.9 | A161 L168 F169 | A161-V165 WeakPolarHBondContact O-CB 3.42Å; A161-V165 PolarHBondContact O-N 2.92Å; A161-V165 VanDerWaalsContact O-N 3.14Å; V165-L168 HydrophobicContact CG2-CB 4.27Å; V165-L168 HydrophobicContact CG2-CD1 4.08Å; V165-L168 WeakPolarHBondContact O-CB 3.48Å; V165-L168 PolarHBondContact O-N 2.66Å; V165-F169 HydrophobicContact CB-CD2 4.38Å; V165-F169 HydrophobicContact CB-CE2 4.12Å; V165-F169 HydrophobicContact CG1-CD2 3.97Å; V165-F169 HydrophobicContact CG1-CE2 3.71Å; V165-F169 HydrophobicContact CG2-CD2 3.8Å; V165-F169 HydrophobicContact CG2-CE2 3.32Å; V165-F169 HydrophobicContact CG2-CZ 4.2Å; V165-F169 WeakPolarHBondContact O-CD2 3.39Å; V165-F169 PolarHBondContact O-N 3.32Å |
| 166 | G | 89.6 | Confident | 90.1 | Very high | 11 Ų | 11 | 57.2 Ų | 57.2 | 11% | 0.113 | 34% | 0.336 | C | S | . | . | G | 310 helix | trans | -46.9 | -52.3 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | L168 F169 W171 | G166-L168 PolarHBondContact O-N 3.25Å; G166-F169 PolarHBondContact O-N 3.47Å; G166-F169 VanDerWaalsContact O-N 3.11Å; G166-W171 WeakPolarHBondContact O-CB 3.47Å; G166-W171 PolarHBondContact O-N 3.31Å |
| 167 | P | 89 | Confident | 89.1 | Confident | 19 Ų | 19 | 66.1 Ų | 66.1 | 12% | 0.123 | 38% | 0.378 | C | S | . | . | G | 310 helix | trans | -64 | -27.2 | -179.8 | -25.3 | 38.6 | 0 | 0 | 0 | 113.2 | S164 F169 G170 K172 Y190 | S164-P167 WeakPolarHBondContact O-CD 3.28Å; P167-F169 VanDerWaalsContact C-N 3.28Å; P167-F169 PolarHBondContact O-N 3.47Å; P167-G170 PolarHBondContact O-N 2.84Å; P167-K172 HydrophobicContact CB-CB 4.13Å; P167-Y190 VanDerWaalsContact CD-CE2 3.46Å; P167-Y190 VanDerWaalsContact CD-CZ 3.41Å; P167-Y190 HydrophobicContact CG-CD1 4.08Å; P167-Y190 HydrophobicContact CG-CD2 4.3Å; P167-Y190 HydrophobicContact CG-CE1 3.56Å; P167-Y190 HydrophobicContact CG-CE2 3.89Å; P167-Y190 HydrophobicContact CG-CG 4.38Å; P167-Y190 VanDerWaalsContact CG-CZ 3.46Å |
| 168 | L | 87.9 | Confident | 88.3 | Confident | 90 Ų | 90 | 67 Ų | 67 | 47% | 0.471 | 39% | 0.388 | S | S | . | . | G | 310 helix | trans | -71.4 | -23.9 | 178 | -59.5 | 177.8 | 0 | 0 | 0 | 112.5 | N106 A110 V165 G166 G170 | N106-L168 HydrophobicContact CB-CD2 3.92Å; A110-L168 HydrophobicContact CB-CD1 3.92Å; A110-L168 HydrophobicContact CB-CD2 4.39Å; A110-L168 HydrophobicContact CB-CG 4.18Å; V165-L168 HydrophobicContact CG2-CB 4.27Å; V165-L168 HydrophobicContact CG2-CD1 4.08Å; V165-L168 WeakPolarHBondContact O-CB 3.48Å; V165-L168 PolarHBondContact O-N 2.66Å; G166-L168 PolarHBondContact O-N 3.25Å; L168-G170 VanDerWaalsContact C-N 3.32Å |
| 169 | F | 89.3 | Confident | 87.5 | Confident | 172 Ų | 172 | 70 Ų | 70 | 75% | 0.754 | 39% | 0.39 | S | S | * | . | G | 310 helix | trans | -91.8 | 10.2 | 173.6 | -69.9 | -68.9 | 0 | 0 | 0 | 113.4 | V165 G166 P167 | V165-F169 HydrophobicContact CB-CD2 4.38Å; V165-F169 HydrophobicContact CB-CE2 4.12Å; V165-F169 HydrophobicContact CG1-CD2 3.97Å; V165-F169 HydrophobicContact CG1-CE2 3.71Å; V165-F169 HydrophobicContact CG2-CD2 3.8Å; V165-F169 HydrophobicContact CG2-CE2 3.32Å; V165-F169 HydrophobicContact CG2-CZ 4.2Å; V165-F169 WeakPolarHBondContact O-CD2 3.39Å; V165-F169 PolarHBondContact O-N 3.32Å; G166-F169 PolarHBondContact O-N 3.47Å; G166-F169 VanDerWaalsContact O-N 3.11Å; P167-F169 VanDerWaalsContact C-N 3.28Å; P167-F169 PolarHBondContact O-N 3.47Å |
| 170 | G | 84.4 | Confident | 86.9 | Confident | 56 Ų | 56 | 69.2 Ų | 69.2 | 58% | 0.577 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.6 | 10.4 | 178.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | P167 L168 K172 | P167-G170 PolarHBondContact O-N 2.84Å; L168-G170 VanDerWaalsContact C-N 3.32Å; G170-K172 PolarHBondContact O-N 2.98Å |
| 171 | W | 87.6 | Confident | 86.3 | Confident | 107 Ų | 107 | 72.6 Ų | 72.6 | 41% | 0.405 | 40% | 0.402 | S | S | . | . | trans | -80.4 | 59.7 | 167.9 | -162.2 | -1.1 | 0 | 0 | 0 | 110.4 | G166 E187 G189 Y190 F193 | G166-W171 WeakPolarHBondContact O-CB 3.47Å; G166-W171 PolarHBondContact O-N 3.31Å; W171-E187 VanDerWaalsContact CD1-OE2 3.23Å; W171-E187 PolarHBondContact NE1-OE2 2.83Å; W171-G189 VanDerWaalsContact CZ2-C 3.48Å; W171-Y190 HydrophobicContact CD2-CD2 4.14Å; W171-Y190 HydrophobicContact CE3-CD2 4.09Å; W171-Y190 HydrophobicContact CG-CD2 4.45Å; W171-F193 HydrophobicContact CH2-CB 3.88Å; W171-F193 HydrophobicContact CH2-CD1 4.14Å; W171-F193 HydrophobicContact CH2-CD2 4.46Å; W171-F193 AromaticContact CH2-CG 3.91Å; W171-F193 HydrophobicContact CH2-CG 3.91Å; W171-F193 HydrophobicContact CZ2-CB 4.42Å; W171-F193 AromaticContact CZ3-CD1 3.99Å; W171-F193 HydrophobicContact CZ3-CD1 3.99Å; W171-F193 HydrophobicContact CZ3-CE1 4.39Å; W171-F193 HydrophobicContact CZ3-CG 4.19Å | ||
| 172 | K | 86.2 | Confident | 85.9 | Confident | 48 Ų | 48 | 71.5 Ų | 71.5 | 21% | 0.209 | 39% | 0.391 | C | S | . | . | S | Bend | trans | -148.3 | 162.5 | -179 | 59.9 | 166.6 | -172.2 | 161.6 | 0 | 111 | N106 P167 G170 D175 T185 | N106-K172 PolarHBondContact OD1-NZ 3.41Å; P167-K172 HydrophobicContact CB-CB 4.13Å; G170-K172 PolarHBondContact O-N 2.98Å; K172-D175 IonicContact NZ-OD1 2.65Å; K172-D175 PolarHBondContact NZ-OD1 3.18Å; K172-D175 IonicContact NZ-OD2 3.28Å; K172-D175 PolarHBondContact NZ-OD2 2.69Å; K172-T185 WeakPolarHBondContact CA-OG1 3.49Å; K172-T185 HydrophobicContact CB-CG2 4.45Å; K172-T185 WeakPolarHBondContact CB-OG1 3.36Å |
| 173 | E | 83.4 | Confident | 85.3 | Confident | 68 Ų | 68 | 74.6 Ų | 74.6 | 32% | 0.318 | 39% | 0.389 | S | S | . | . | P | Polyproline II helix | trans | -64.1 | 160.5 | 170.9 | -61.8 | 105.5 | 138.1 | 0 | 0 | 112.4 | D175 T185 Q186 E187 | E173-D175 PolarHBondContact O-N 2.97Å; E173-T185 VanDerWaalsContact OE2-CA 3.29Å; E173-T185 WeakPolarHBondContact OE2-CA 3.49Å; E173-T185 WeakPolarHBondContact OE2-CB 2.92Å; E173-T185 PolarHBondContact OE2-OG1 3.46Å; E173-Q186 VanDerWaalsContact CD-N 3.33Å; E173-Q186 WeakPolarHBondContact OE1-CA 3.38Å; E173-Q186 VanDerWaalsContact OE1-CB 3.27Å; E173-Q186 WeakPolarHBondContact OE1-CB 3.3Å; E173-Q186 PolarHBondContact OE1-N 3.5Å; E173-Q186 PolarHBondContact OE2-N 3.5Å; E173-E187 HydrophobicContact CG-CB 4.19Å; E173-E187 PolarHBondContact OE1-N 3.46Å; E173-E187 PolarHBondContact OE2-N 2.93Å |
| 174 | P | 82 | Confident | 84.9 | Confident | 124 Ų | 124 | 74.9 Ų | 74.9 | 81% | 0.805 | 39% | 0.39 | S | S | * | . | P | Polyproline II helix | trans | -54.4 | 138.5 | 169.9 | -21.9 | 32.8 | 0 | 0 | 0 | 110.8 | ||
| 175 | D | 79.6 | Confident | 84.5 | Confident | 87 Ų | 87 | 75.3 Ų | 75.3 | 47% | 0.465 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -60.6 | 139.7 | 179 | -71.1 | -47.6 | 0 | 0 | 0 | 110.6 | K172 E173 | K172-D175 IonicContact NZ-OD1 2.65Å; K172-D175 PolarHBondContact NZ-OD1 3.18Å; K172-D175 IonicContact NZ-OD2 3.28Å; K172-D175 PolarHBondContact NZ-OD2 2.69Å; E173-D175 PolarHBondContact O-N 2.97Å |
| 176 | P | 78.6 | Confident | 84.1 | Confident | 53 Ų | 53 | 74.8 Ų | 74.8 | 34% | 0.344 | 39% | 0.387 | S | S | . | . | P | Polyproline II helix | trans | -61.8 | 148.9 | 178 | 24.8 | -32.4 | 0 | 0 | 0 | 111.3 | R102 D178 E181 | R102-P176 PolarHBondContact NH2-O 2.88Å; P176-D178 PolarHBondContact O-N 3.46Å; P176-E181 HydrophobicContact CG-CB 4.34Å |
| 177 | E | 75.1 | Confident | 84 | Confident | 194 Ų | 194 | 76.6 Ų | 76.6 | 91% | 0.907 | 39% | 0.392 | S | S | * | . | S | Bend | trans | -60 | -35.1 | 176.3 | -67.3 | -176.2 | 178.1 | 0 | 0 | 111.3 | R102 | R102-E177 PolarHBondContact NH2-O 2.88Š|
| 178 | D | 80.6 | Confident | 84 | Confident | 87 Ų | 87 | 78.6 Ų | 78.6 | 47% | 0.465 | 41% | 0.405 | S | S | . | . | trans | -85.6 | 116.6 | 176.7 | -167.8 | -13.1 | 0 | 0 | 0 | 111.7 | P176 T180 E181 | P176-D178 PolarHBondContact O-N 3.46Å; D178-T180 PolarHBondContact O-N 3.25Å; D178-T180 VanDerWaalsContact OD1-CB 3.28Å; D178-T180 WeakPolarHBondContact OD1-CB 3.2Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.41Å; D178-T180 PolarHBondContact OD1-N 3.29Å; D178-T180 PolarHBondContact OD1-OG1 2.89Å; D178-T180 PolarHBondContact OD2-OG1 3.39Å; D178-E181 PolarHBondContact O-N 3.32Å | ||
| 179 | E | 79.8 | Confident | 84.1 | Confident | 105 Ų | 105 | 75.7 Ų | 75.7 | 49% | 0.491 | 40% | 0.398 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71 | -12.5 | 176.9 | -52.3 | -152.8 | 140.8 | 0 | 0 | 113.6 | R102 E181 | R102-E179 WeakPolarHBondContact CD-OE1 3.19Å; R102-E179 HydrophobicContact CG-CB 4.42Å; R102-E179 HydrophobicContact CG-CG 4.38Å; R102-E179 VanDerWaalsContact CZ-CG 3.48Å; R102-E179 IonicContact CZ-OE1 2.69Å; R102-E179 IonicContact NE-OE1 3.99Å; R102-E179 PolarHBondContact NE-OE1 3.34Å; R102-E179 IonicContact NH1-OE1 3.34Å; R102-E179 PolarHBondContact NH1-OE1 2.91Å; R102-E179 IonicContact NH2-OE1 2.74Å; E179-E181 PolarHBondContact O-N 2.92Å |
| 180 | T | 84 | Confident | 84.2 | Confident | 57 Ų | 57 | 67.7 Ų | 67.7 | 35% | 0.35 | 36% | 0.362 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.2 | -2.4 | 178.5 | 74.3 | 0 | 0 | 0 | 0 | 112.9 | W98 D178 | W98-T180 VanDerWaalsContact CB-O 3.28Å; W98-T180 WeakPolarHBondContact CB-O 3.5Å; W98-T180 PolarHBondContact N-O 2.86Å; D178-T180 PolarHBondContact O-N 3.25Å; D178-T180 VanDerWaalsContact OD1-CB 3.28Å; D178-T180 WeakPolarHBondContact OD1-CB 3.2Å; D178-T180 WeakPolarHBondContact OD1-CG2 3.41Å; D178-T180 PolarHBondContact OD1-N 3.29Å; D178-T180 PolarHBondContact OD1-OG1 2.89Å; D178-T180 PolarHBondContact OD2-OG1 3.39Å |
| 181 | E | 84.2 | Confident | 84.4 | Confident | 72 Ų | 72 | 65 Ų | 65 | 34% | 0.336 | 34% | 0.335 | S | S | . | . | trans | -105.3 | 120.2 | 175.5 | -178.9 | 146.3 | -111.7 | 0 | 0 | 111.4 | P176 D178 E179 R183 | P176-E181 HydrophobicContact CG-CB 4.34Å; D178-E181 PolarHBondContact O-N 3.32Å; E179-E181 PolarHBondContact O-N 2.92Å; E181-R183 HydrophobicContact CG-CG 3.96Å; E181-R183 IonicContact OE1-CZ 3.56Å; E181-R183 IonicContact OE1-NE 3.13Å; E181-R183 PolarHBondContact OE1-NE 2.99Å; E181-R183 IonicContact OE1-NH2 3.64Å; E181-R183 PolarHBondContact OE1-NH2 2.94Å; E181-R183 IonicContact OE2-CZ 2.84Å; E181-R183 IonicContact OE2-NE 2.6Å; E181-R183 IonicContact OE2-NH2 2.91Å | ||
| 182 | C | 87.6 | Confident | 84.6 | Confident | 22 Ų | 22 | 63.6 Ų | 63.6 | 15% | 0.149 | 34% | 0.335 | C | S | . | . | trans | -121.7 | 115.9 | 172.4 | 179.2 | 0 | 0 | 0 | 0 | 109.5 | W98 C105 W108 | W98-C182 HydrophobicContact CB-CB 3.76Å; W98-C182 HydrophobicContact CD2-CB 3.43Å; W98-C182 VanDerWaalsContact CD2-CB 3.43Å; W98-C182 HydrophobicContact CE3-CB 3.79Å; W98-C182 HydrophobicContact CG-CB 3.43Å; W98-C182 VanDerWaalsContact CG-CB 3.43Å; C105-C182 VanDerWaalsContact CA-SG 3.55Å; C105-C182 HydrophobicContact CB-CB 3.86Å; C105-C182 WeakPolarHBondContact CB-SG 3.24Å; C105-C182 WeakPolarHBondContact SG-CA 3.31Å; C105-C182 WeakPolarHBondContact SG-CB 3.34Å; C105-C182 CovalentContact SG-SG 2.03Å; C105-C182 PolarHBondContact SG-SG 3.25Å; W108-C182 VanDerWaalsContact CE3-SG 3.56Å | ||
| 183 | R | 83.4 | Confident | 84.9 | Confident | 128 Ų | 128 | 65.6 Ų | 65.6 | 48% | 0.483 | 34% | 0.344 | S | S | . | . | trans | -128.8 | 146.2 | -179.9 | -64.5 | 179.6 | 177.9 | -179.3 | 0.8 | 109.7 | E181 | E181-R183 HydrophobicContact CG-CG 3.96Å; E181-R183 IonicContact OE1-CZ 3.56Å; E181-R183 IonicContact OE1-NE 3.13Å; E181-R183 PolarHBondContact OE1-NE 2.99Å; E181-R183 IonicContact OE1-NH2 3.64Å; E181-R183 PolarHBondContact OE1-NH2 2.94Å; E181-R183 IonicContact OE2-CZ 2.84Å; E181-R183 IonicContact OE2-NE 2.6Å; E181-R183 IonicContact OE2-NH2 2.91Å | ||
| 184 | I | 85.8 | Confident | 85.3 | Confident | 18 Ų | 18 | 62.9 Ų | 62.9 | 9% | 0.092 | 33% | 0.332 | C | S | . | . | trans | -66.4 | 140.8 | 167.4 | -60.7 | 172.2 | 0 | 0 | 0 | 107.7 | W108 D112 Q186 F324 | W108-I184 HydrophobicContact CH2-CD1 4.23Å; W108-I184 HydrophobicContact CH2-CG1 3.93Å; W108-I184 HydrophobicContact CZ3-CG1 3.9Å; D112-I184 WeakPolarHBondContact OD2-CD1 3.38Å; I184-Q186 PolarHBondContact O-N 2.98Å; I184-F324 HydrophobicContact CD1-CD2 4.31Å; I184-F324 HydrophobicContact CD1-CE2 3.27Å; I184-F324 HydrophobicContact CD1-CZ 3.5Å | ||
| 185 | T | 84.9 | Confident | 85.8 | Confident | 17 Ų | 17 | 57 Ų | 57 | 10% | 0.104 | 29% | 0.294 | C | S | . | . | trans | -56.7 | 135 | -179.8 | -117.2 | 0 | 0 | 0 | 0 | 111.4 | K172 E173 E187 Y190 | K172-T185 WeakPolarHBondContact CA-OG1 3.49Å; K172-T185 HydrophobicContact CB-CG2 4.45Å; K172-T185 WeakPolarHBondContact CB-OG1 3.36Å; E173-T185 VanDerWaalsContact OE2-CA 3.29Å; E173-T185 WeakPolarHBondContact OE2-CA 3.49Å; E173-T185 WeakPolarHBondContact OE2-CB 2.92Å; E173-T185 PolarHBondContact OE2-OG1 3.46Å; T185-E187 HydrophobicContact CG2-CB 4Å; T185-Y190 HydrophobicContact CG2-CD1 3.4Å; T185-Y190 HydrophobicContact CG2-CE1 4.16Å; T185-Y190 HydrophobicContact CG2-CG 4.02Å | ||
| 186 | Q | 83.3 | Confident | 86.4 | Confident | 35 Ų | 35 | 56.2 Ų | 56.2 | 16% | 0.164 | 29% | 0.29 | C | S | . | . | trans | -111.4 | 14.9 | 177.6 | -51.6 | -167.4 | -52.8 | 0 | 0 | 111 | E173 I184 S308 | E173-Q186 VanDerWaalsContact CD-N 3.33Å; E173-Q186 WeakPolarHBondContact OE1-CA 3.38Å; E173-Q186 VanDerWaalsContact OE1-CB 3.27Å; E173-Q186 WeakPolarHBondContact OE1-CB 3.3Å; E173-Q186 PolarHBondContact OE1-N 3.5Å; E173-Q186 PolarHBondContact OE2-N 3.5Å; I184-Q186 PolarHBondContact O-N 2.98Å; Q186-S308 VanDerWaalsContact O-CB 3.3Å; Q186-S308 WeakPolarHBondContact O-CB 3.3Å; Q186-S308 PolarHBondContact O-OG 2.82Å | ||
| 187 | E | 88.4 | Confident | 87 | Confident | 49 Ų | 49 | 54.7 Ų | 54.7 | 23% | 0.229 | 28% | 0.283 | C | S | . | . | trans | -60.7 | 125.7 | 179.8 | -166.7 | -72.1 | 128.4 | 0 | 0 | 108.2 | W171 E173 T185 G189 Y190 A191 | W171-E187 VanDerWaalsContact CD1-OE2 3.23Å; W171-E187 PolarHBondContact NE1-OE2 2.83Å; E173-E187 HydrophobicContact CG-CB 4.19Å; E173-E187 PolarHBondContact OE1-N 3.46Å; E173-E187 PolarHBondContact OE2-N 2.93Å; T185-E187 HydrophobicContact CG2-CB 4Å; E187-G189 VanDerWaalsContact C-N 3.34Å; E187-G189 VanDerWaalsContact CD-N 3.28Å; E187-G189 PolarHBondContact O-N 2.91Å; E187-G189 PolarHBondContact OE1-N 3.22Å; E187-G189 VanDerWaalsContact OE2-CA 3.23Å; E187-G189 WeakPolarHBondContact OE2-CA 3.21Å; E187-G189 PolarHBondContact OE2-N 3.5Å; E187-Y190 PolarHBondContact O-N 3.39Å; E187-Y190 PolarHBondContact OE2-N 3.31Å; E187-A191 WeakPolarHBondContact O-CB 3.36Å; E187-A191 PolarHBondContact O-N 3.47Å | ||
| 188 | P | 87.3 | Confident | 87.7 | Confident | 61 Ų | 61 | 45.7 Ų | 45.7 | 40% | 0.396 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.7 | -36.9 | -168.9 | 21.8 | -33.5 | 0 | 0 | 0 | 114.8 | L192 S308 | P188-L192 VanDerWaalsContact O-CB 3.27Å; P188-L192 WeakPolarHBondContact O-CB 3.48Å; P188-L192 PolarHBondContact O-N 3.22Å; P188-L192 VanDerWaalsContact O-N 3.11Å; P188-S308 WeakPolarHBondContact CA-OG 2.97Å; P188-S308 WeakPolarHBondContact CB-OG 3.26Å |
| 189 | G | 90.1 | Very high | 88.2 | Confident | 30 Ų | 30 | 41.6 Ų | 41.6 | 31% | 0.309 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.5 | -51.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | W171 E187 F193 | W171-G189 VanDerWaalsContact CZ2-C 3.48Å; E187-G189 VanDerWaalsContact C-N 3.34Å; E187-G189 VanDerWaalsContact CD-N 3.28Å; E187-G189 PolarHBondContact O-N 2.91Å; E187-G189 PolarHBondContact OE1-N 3.22Å; E187-G189 VanDerWaalsContact OE2-CA 3.23Å; E187-G189 WeakPolarHBondContact OE2-CA 3.21Å; E187-G189 PolarHBondContact OE2-N 3.5Å; G189-F193 VanDerWaalsContact O-CB 3.3Å; G189-F193 WeakPolarHBondContact O-CB 3.47Å; G189-F193 PolarHBondContact O-N 3.41Å |
| 190 | Y | 91.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 40 Ų | 40 | 1% | 0.012 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -70.2 | -42.2 | -178.4 | -179 | -97.1 | 0 | 0 | 0 | 112.2 | I163 P167 W171 T185 E187 L192 F193 S194 | I163-Y190 WeakPolarHBondContact O-CE2 3.4Å; I163-Y190 PolarHBondContact O-OH 3.02Å; P167-Y190 VanDerWaalsContact CD-CE2 3.46Å; P167-Y190 VanDerWaalsContact CD-CZ 3.41Å; P167-Y190 HydrophobicContact CG-CD1 4.08Å; P167-Y190 HydrophobicContact CG-CD2 4.3Å; P167-Y190 HydrophobicContact CG-CE1 3.56Å; P167-Y190 HydrophobicContact CG-CE2 3.89Å; P167-Y190 HydrophobicContact CG-CG 4.38Å; P167-Y190 VanDerWaalsContact CG-CZ 3.46Å; W171-Y190 HydrophobicContact CD2-CD2 4.14Å; W171-Y190 HydrophobicContact CE3-CD2 4.09Å; W171-Y190 HydrophobicContact CG-CD2 4.45Å; T185-Y190 HydrophobicContact CG2-CD1 3.4Å; T185-Y190 HydrophobicContact CG2-CE1 4.16Å; T185-Y190 HydrophobicContact CG2-CG 4.02Å; E187-Y190 PolarHBondContact O-N 3.39Å; E187-Y190 PolarHBondContact OE2-N 3.31Å; Y190-L192 VanDerWaalsContact C-N 3.3Å; Y190-L192 PolarHBondContact O-N 3.43Å; Y190-F193 HydrophobicContact CD2-CD1 4.45Å; Y190-F193 PolarHBondContact O-N 2.92Å; Y190-S194 VanDerWaalsContact O-CB 3.25Å; Y190-S194 WeakPolarHBondContact O-CB 3.46Å; Y190-S194 PolarHBondContact O-N 2.85Å; Y190-S194 PolarHBondContact O-OG 2.87Å |
| 191 | A | 90.1 | Very high | 89.4 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.8 | -41.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | E187 S194 A195 L304 | E187-A191 WeakPolarHBondContact O-CB 3.36Å; E187-A191 PolarHBondContact O-N 3.47Å; A191-S194 PolarHBondContact O-OG 3.23Å; A191-A195 WeakPolarHBondContact O-CB 3.1Å; A191-A195 PolarHBondContact O-N 3.49Å; A191-L304 HydrophobicContact CB-CG 4.47Å |
| 192 | L | 90.9 | Very high | 89.8 | Confident | 78 Ų | 78 | 38.7 Ų | 38.7 | 41% | 0.408 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -69.2 | -47.4 | 175.4 | -177.4 | 61.8 | 0 | 0 | 0 | 112 | P188 Y190 A195 L196 | P188-L192 VanDerWaalsContact O-CB 3.27Å; P188-L192 WeakPolarHBondContact O-CB 3.48Å; P188-L192 PolarHBondContact O-N 3.22Å; P188-L192 VanDerWaalsContact O-N 3.11Å; Y190-L192 VanDerWaalsContact C-N 3.3Å; Y190-L192 PolarHBondContact O-N 3.43Å; L192-A195 PolarHBondContact O-N 3.37Å; L192-L196 HydrophobicContact CD1-CD1 4Å; L192-L196 HydrophobicContact CD1-CG 4.09Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.23Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.18Å; L192-L196 PolarHBondContact O-N 2.94Å |
| 193 | F | 92.4 | Very high | 90 | Very high | 90 Ų | 90 | 38.6 Ų | 38.6 | 40% | 0.395 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.5 | -50.2 | 179.3 | 170.1 | -102.6 | 0 | 0 | 0 | 111.9 | I163 W171 G189 Y190 L196 G197 | I163-F193 HydrophobicContact CB-CE1 4.46Å; I163-F193 HydrophobicContact CG1-CE1 4.24Å; I163-F193 HydrophobicContact CG1-CZ 4.31Å; I163-F193 HydrophobicContact CG2-CE1 4.29Å; W171-F193 HydrophobicContact CH2-CB 3.88Å; W171-F193 HydrophobicContact CH2-CD1 4.14Å; W171-F193 HydrophobicContact CH2-CD2 4.46Å; W171-F193 AromaticContact CH2-CG 3.91Å; W171-F193 HydrophobicContact CH2-CG 3.91Å; W171-F193 HydrophobicContact CZ2-CB 4.42Å; W171-F193 AromaticContact CZ3-CD1 3.99Å; W171-F193 HydrophobicContact CZ3-CD1 3.99Å; W171-F193 HydrophobicContact CZ3-CE1 4.39Å; W171-F193 HydrophobicContact CZ3-CG 4.19Å; G189-F193 VanDerWaalsContact O-CB 3.3Å; G189-F193 WeakPolarHBondContact O-CB 3.47Å; G189-F193 PolarHBondContact O-N 3.41Å; Y190-F193 HydrophobicContact CD2-CD1 4.45Å; Y190-F193 PolarHBondContact O-N 2.92Å; F193-L196 PolarHBondContact O-N 3.11Å; F193-G197 PolarHBondContact O-N 3.22Å |
| 194 | S | 92.3 | Very high | 90.5 | Very high | 10 Ų | 10 | 35.2 Ų | 35.2 | 7% | 0.07 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -65.4 | -40.9 | 179.3 | 61.8 | 0 | 0 | 0 | 0 | 111.8 | Y190 A191 S198 | Y190-S194 VanDerWaalsContact O-CB 3.25Å; Y190-S194 WeakPolarHBondContact O-CB 3.46Å; Y190-S194 PolarHBondContact O-N 2.85Å; Y190-S194 PolarHBondContact O-OG 2.87Å; A191-S194 PolarHBondContact O-OG 3.23Å; S194-S198 WeakPolarHBondContact O-CA 3.22Å; S194-S198 WeakPolarHBondContact O-CB 3.46Å; S194-S198 PolarHBondContact O-N 3.38Å; S194-S198 PolarHBondContact O-OG 2.98Å |
| 195 | A | 92.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -66.5 | -39.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | A191 L192 F199 Y200 F301 P305 | A191-A195 WeakPolarHBondContact O-CB 3.1Å; A191-A195 PolarHBondContact O-N 3.49Å; L192-A195 PolarHBondContact O-N 3.37Å; A195-F199 WeakPolarHBondContact O-CA 3.2Å; A195-F199 WeakPolarHBondContact O-CB 3.49Å; A195-F199 PolarHBondContact O-N 3.33Å; A195-Y200 HydrophobicContact CB-CD2 4.16Å; A195-Y200 HydrophobicContact CB-CE2 3.96Å; A195-Y200 WeakPolarHBondContact O-CD2 3.28Å; A195-Y200 PolarHBondContact O-N 3Å; A195-F301 HydrophobicContact CB-CD1 3.89Å; A195-F301 HydrophobicContact CB-CE1 4.32Å; A195-P305 HydrophobicContact CB-CG 4Å |
| 196 | L | 92.8 | Very high | 91.1 | Very high | 72 Ų | 72 | 37 Ų | 37 | 38% | 0.377 | 21% | 0.208 | S | C | . | . | I | π-helix | trans | -65.2 | -51 | 176.5 | -74 | 172.8 | 0 | 0 | 0 | 111.5 | L192 F193 Y200 I201 | L192-L196 HydrophobicContact CD1-CD1 4Å; L192-L196 HydrophobicContact CD1-CG 4.09Å; L192-L196 HydrophobicContact CG-CD1 3.94Å; L192-L196 HydrophobicContact CG-CG 4.43Å; L192-L196 WeakPolarHBondContact O-CB 3.23Å; L192-L196 VanDerWaalsContact O-CG 3.27Å; L192-L196 WeakPolarHBondContact O-CG 3.18Å; L192-L196 PolarHBondContact O-N 2.94Å; F193-L196 PolarHBondContact O-N 3.11Å; L196-Y200 HydrophobicContact CD2-CD2 4.2Å; L196-Y200 HydrophobicContact CD2-CG 4.5Å; L196-I201 HydrophobicContact CB-CD1 4.45Å; L196-I201 WeakPolarHBondContact O-CB 3.34Å; L196-I201 WeakPolarHBondContact O-CG1 3.32Å; L196-I201 PolarHBondContact O-N 3Å |
| 197 | G | 90.3 | Very high | 91.4 | Very high | 20 Ų | 20 | 39 Ų | 39 | 21% | 0.206 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -70.1 | -34.1 | -177.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | F193 P202 | F193-G197 PolarHBondContact O-N 3.22Å; G197-P202 WeakPolarHBondContact O-CD 3.41Å; G197-P202 VanDerWaalsContact O-CG 3.27Å; G197-P202 WeakPolarHBondContact O-CG 3.45Å |
| 198 | S | 90.3 | Very high | 91.4 | Very high | 6 Ų | 6 | 38.9 Ų | 38.9 | 4% | 0.042 | 23% | 0.227 | C | C | . | . | I | π-helix | trans | -99.5 | -14 | -174.6 | -46.6 | 0 | 0 | 0 | 0 | 114.1 | T117 I120 I163 S194 | T117-S198 VanDerWaalsContact OG1-CB 3.25Å; T117-S198 WeakPolarHBondContact OG1-CB 3.33Å; T117-S198 PolarHBondContact OG1-OG 2.93Å; I120-S198 WeakPolarHBondContact CD1-O 3.26Å; I120-S198 WeakPolarHBondContact CG2-O 3.25Å; I163-S198 WeakPolarHBondContact CG2-OG 3.5Å; S194-S198 WeakPolarHBondContact O-CA 3.22Å; S194-S198 WeakPolarHBondContact O-CB 3.46Å; S194-S198 PolarHBondContact O-N 3.38Å; S194-S198 PolarHBondContact O-OG 2.98Å |
| 199 | F | 91.9 | Very high | 91.4 | Very high | 0 Ų | 0 | 38 Ų | 38 | 0% | 0 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -135.4 | -63.1 | -178.9 | -174.4 | -104.5 | 0 | 0 | 0 | 113.6 | I120 A195 I201 P202 L203 F293 W297 L298 F301 | I120-F199 HydrophobicContact CD1-CB 4.45Å; I120-F199 HydrophobicContact CD1-CD2 3.82Å; I120-F199 HydrophobicContact CD1-CG 4.48Å; A195-F199 WeakPolarHBondContact O-CA 3.2Å; A195-F199 WeakPolarHBondContact O-CB 3.49Å; A195-F199 PolarHBondContact O-N 3.33Å; F199-I201 PolarHBondContact O-N 3.49Å; F199-P202 WeakPolarHBondContact O-CD 3.49Å; F199-L203 HydrophobicContact CD1-CD2 4.46Å; F199-L203 HydrophobicContact CE1-CD2 3.71Å; F199-L203 HydrophobicContact CE2-CD2 4.45Å; F199-L203 HydrophobicContact CZ-CD2 3.71Å; F199-L203 WeakPolarHBondContact O-CB 3.1Å; F199-L203 PolarHBondContact O-N 3.34Å; F199-F293 HydrophobicContact CD2-CE1 4.09Å; F199-F293 HydrophobicContact CD2-CZ 4.26Å; F199-F293 AromaticContact CE2-CE1 3.74Å; F199-F293 HydrophobicContact CE2-CE1 3.74Å; F199-F293 HydrophobicContact CE2-CZ 4.24Å; F199-W297 HydrophobicContact CD2-CB 4.11Å; F199-W297 HydrophobicContact CE2-CB 3.56Å; F199-W297 HydrophobicContact CZ-CB 4.41Å; F199-L298 HydrophobicContact CE1-CD1 3.75Å; F199-L298 HydrophobicContact CZ-CB 3.99Å; F199-L298 HydrophobicContact CZ-CD1 3.96Å; F199-F301 HydrophobicContact CB-CB 4.28Å; F199-F301 HydrophobicContact CB-CD1 3.59Å; F199-F301 HydrophobicContact CB-CD2 3.53Å; F199-F301 HydrophobicContact CB-CE1 3.68Å; F199-F301 HydrophobicContact CB-CE2 3.59Å; F199-F301 HydrophobicContact CB-CG 3.52Å; F199-F301 HydrophobicContact CB-CZ 3.68Å; F199-F301 HydrophobicContact CD1-CB 3.48Å; F199-F301 VanDerWaalsContact CD1-CB 3.48Å; F199-F301 HydrophobicContact CD1-CD1 4.4Å; F199-F301 AromaticContact CD1-CD2 3.79Å; F199-F301 HydrophobicContact CD1-CD2 3.79Å; F199-F301 AromaticContact CD1-CG 3.64Å; F199-F301 HydrophobicContact CD1-CG 3.64Å; F199-F301 HydrophobicContact CD2-CB 4.49Å; F199-F301 AromaticContact CD2-CD2 3.22Å; F199-F301 HydrophobicContact CD2-CD2 3.22Å; F199-F301 AromaticContact CD2-CE2 3.49Å; F199-F301 HydrophobicContact CD2-CE2 3.49Å; F199-F301 VanDerWaalsContact CD2-CE2 3.49Å; F199-F301 AromaticContact CD2-CG 3.95Å; F199-F301 HydrophobicContact CD2-CG 3.95Å; F199-F301 HydrophobicContact CD2-CZ 4.41Å; F199-F301 HydrophobicContact CE1-CB 3.84Å; F199-F301 HydrophobicContact CE1-CD2 4.28Å; F199-F301 HydrophobicContact CE1-CG 4.31Å; F199-F301 AromaticContact CE2-CD2 3.79Å; F199-F301 HydrophobicContact CE2-CD2 3.79Å; F199-F301 HydrophobicContact CE2-CE2 4.33Å; F199-F301 HydrophobicContact CG-CB 3.84Å; F199-F301 HydrophobicContact CG-CD1 4.05Å; F199-F301 AromaticContact CG-CD2 3.21Å; F199-F301 HydrophobicContact CG-CD2 3.21Å; F199-F301 HydrophobicContact CG-CE1 4.44Å; F199-F301 AromaticContact CG-CE2 3.67Å; F199-F301 HydrophobicContact CG-CE2 3.67Å; F199-F301 AromaticContact CG-CG 3.42Å; F199-F301 HydrophobicContact CG-CG 3.42Å; F199-F301 VanDerWaalsContact CG-CG 3.42Å; F199-F301 HydrophobicContact CG-CZ 4.28Å; F199-F301 HydrophobicContact CZ-CB 4.48Å; F199-F301 HydrophobicContact CZ-CD2 4.28Å |
| 200 | Y | 93.4 | Very high | 91 | Very high | 73 Ų | 73 | 38.2 Ų | 38.2 | 29% | 0.286 | 21% | 0.209 | S | C | . | . | I | π-helix | trans | -65.8 | -45 | -167.6 | -68.1 | -70.7 | 0 | 0 | 0 | 113.6 | A195 L196 A204 F301 | A195-Y200 HydrophobicContact CB-CD2 4.16Å; A195-Y200 HydrophobicContact CB-CE2 3.96Å; A195-Y200 WeakPolarHBondContact O-CD2 3.28Å; A195-Y200 PolarHBondContact O-N 3Å; L196-Y200 HydrophobicContact CD2-CD2 4.2Å; L196-Y200 HydrophobicContact CD2-CG 4.5Å; Y200-A204 WeakPolarHBondContact O-CB 3.4Å; Y200-A204 PolarHBondContact O-N 3.39Å; Y200-F301 PolarHBondContact OH-O 2.9Å |
| 201 | I | 94.1 | Very high | 90.6 | Very high | 97 Ų | 97 | 41.8 Ų | 41.8 | 50% | 0.497 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -67.3 | -52.2 | 177.1 | -64.3 | 167.4 | 0 | 0 | 0 | 110.7 | L196 F199 L203 A204 I205 | L196-I201 HydrophobicContact CB-CD1 4.45Å; L196-I201 WeakPolarHBondContact O-CB 3.34Å; L196-I201 WeakPolarHBondContact O-CG1 3.32Å; L196-I201 PolarHBondContact O-N 3Å; F199-I201 PolarHBondContact O-N 3.49Å; I201-L203 VanDerWaalsContact C-N 3.3Å; I201-L203 PolarHBondContact O-N 3.44Å; I201-A204 PolarHBondContact O-N 3.11Å; I201-I205 HydrophobicContact CG2-CD1 4.08Å; I201-I205 WeakPolarHBondContact O-CG1 3.18Å; I201-I205 PolarHBondContact O-N 3.45Å |
| 202 | P | 93.6 | Very high | 90.3 | Very high | 3 Ų | 3 | 46 Ų | 46 | 2% | 0.019 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -50.4 | -45.6 | 172.2 | -33 | 38.4 | 0 | 0 | 0 | 114 | I120 L121 C124 G197 F199 I205 I206 | I120-P202 HydrophobicContact CD1-CB 3.6Å; I120-P202 HydrophobicContact CD1-CG 4.31Å; I120-P202 HydrophobicContact CG1-CB 3.85Å; L121-P202 HydrophobicContact CD2-CB 4.43Å; L121-P202 HydrophobicContact CD2-CG 3.86Å; C124-P202 VanDerWaalsContact SG-C 3.59Å; C124-P202 WeakPolarHBondContact SG-CA 3.38Å; C124-P202 WeakPolarHBondContact SG-CB 3.28Å; C124-P202 PolarHBondContact SG-O 2.92Å; G197-P202 WeakPolarHBondContact O-CD 3.41Å; G197-P202 VanDerWaalsContact O-CG 3.27Å; G197-P202 WeakPolarHBondContact O-CG 3.45Å; F199-P202 WeakPolarHBondContact O-CD 3.49Å; P202-I205 WeakPolarHBondContact O-CB 3.34Å; P202-I205 PolarHBondContact O-N 3.34Å; P202-I206 VanDerWaalsContact O-CG1 3.31Å; P202-I206 WeakPolarHBondContact O-CG1 3.26Å; P202-I206 PolarHBondContact O-N 3.19Å |
| 203 | L | 91.9 | Very high | 89.8 | Confident | 20 Ų | 20 | 42.8 Ų | 42.8 | 11% | 0.105 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.1 | -44.3 | 179.9 | 176.7 | 61.4 | 0 | 0 | 0 | 111.7 | F199 I201 I205 I206 L207 I294 | F199-L203 HydrophobicContact CD1-CD2 4.46Å; F199-L203 HydrophobicContact CE1-CD2 3.71Å; F199-L203 HydrophobicContact CE2-CD2 4.45Å; F199-L203 HydrophobicContact CZ-CD2 3.71Å; F199-L203 WeakPolarHBondContact O-CB 3.1Å; F199-L203 PolarHBondContact O-N 3.34Å; I201-L203 VanDerWaalsContact C-N 3.3Å; I201-L203 PolarHBondContact O-N 3.44Å; L203-I205 VanDerWaalsContact C-N 3.29Å; L203-I205 PolarHBondContact O-N 3.28Å; L203-I206 PolarHBondContact O-N 2.93Å; L203-L207 HydrophobicContact CD1-CD1 4.05Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.98Å; L203-L207 HydrophobicContact CG-CG 4.34Å; L203-L207 WeakPolarHBondContact O-CB 3.49Å; L203-L207 WeakPolarHBondContact O-CG 3.4Å; L203-L207 PolarHBondContact O-N 3.28Å; L203-I294 HydrophobicContact CD1-CD1 3.7Å; L203-I294 HydrophobicContact CD1-CG1 3.54Å |
| 204 | A | 93.4 | Very high | 89.1 | Confident | 58 Ų | 58 | 44.9 Ų | 44.9 | 48% | 0.479 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.7 | -42 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y200 I201 A208 | Y200-A204 WeakPolarHBondContact O-CB 3.4Å; Y200-A204 PolarHBondContact O-N 3.39Å; I201-A204 PolarHBondContact O-N 3.11Å; A204-A208 VanDerWaalsContact O-CB 3.26Å; A204-A208 WeakPolarHBondContact O-CB 3.42Å; A204-A208 PolarHBondContact O-N 3.06Å |
| 205 | I | 92.4 | Very high | 88.5 | Confident | 70 Ų | 70 | 46.8 Ų | 46.8 | 36% | 0.359 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.4 | -47.5 | 175.3 | -65.9 | 167.5 | 0 | 0 | 0 | 110.5 | I128 I201 P202 L203 A208 M209 | I128-I205 HydrophobicContact CD1-CG2 4.22Å; I128-I205 HydrophobicContact CG1-CG2 4.47Å; I201-I205 HydrophobicContact CG2-CD1 4.08Å; I201-I205 WeakPolarHBondContact O-CG1 3.18Å; I201-I205 PolarHBondContact O-N 3.45Å; P202-I205 WeakPolarHBondContact O-CB 3.34Å; P202-I205 PolarHBondContact O-N 3.34Å; L203-I205 VanDerWaalsContact C-N 3.29Å; L203-I205 PolarHBondContact O-N 3.28Å; I205-A208 PolarHBondContact O-N 3.48Å; I205-M209 HydrophobicContact CG2-CG 4.36Å; I205-M209 VanDerWaalsContact O-CG 3.3Å; I205-M209 WeakPolarHBondContact O-CG 3.25Å; I205-M209 PolarHBondContact O-N 3.21Å |
| 206 | I | 89.8 | Confident | 87.7 | Confident | 1 Ų | 1 | 48.3 Ų | 48.3 | 1% | 0.005 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.8 | -58.2 | 177.2 | -73 | 167.2 | 0 | 0 | 0 | 109.3 | I120 L123 C124 P202 L203 A208 M209 Y210 V290 | I120-I206 HydrophobicContact CG1-CD1 4.4Å; L123-I206 HydrophobicContact CB-CD1 4.15Å; C124-I206 HydrophobicContact CB-CG1 4.24Å; C124-I206 VanDerWaalsContact SG-CD1 3.55Å; C124-I206 VanDerWaalsContact SG-CG1 3.55Å; P202-I206 VanDerWaalsContact O-CG1 3.31Å; P202-I206 WeakPolarHBondContact O-CG1 3.26Å; P202-I206 PolarHBondContact O-N 3.19Å; L203-I206 PolarHBondContact O-N 2.93Å; I206-A208 VanDerWaalsContact C-N 3.29Å; I206-A208 PolarHBondContact O-N 3.5Å; I206-M209 PolarHBondContact O-N 3.37Å; I206-M209 VanDerWaalsContact O-N 3.08Å; I206-Y210 HydrophobicContact CG2-CD2 3.67Å; I206-Y210 HydrophobicContact CG2-CE2 3.75Å; I206-Y210 VanDerWaalsContact O-CD2 3.25Å; I206-Y210 WeakPolarHBondContact O-CD2 3.39Å; I206-Y210 PolarHBondContact O-N 3.44Å; I206-V290 HydrophobicContact CG2-CB 4.21Å; I206-V290 HydrophobicContact CG2-CG1 3.55Å; I206-V290 HydrophobicContact CG2-CG2 3.54Å |
| 207 | L | 90.2 | Very high | 86.6 | Confident | 79 Ų | 79 | 46.5 Ų | 46.5 | 41% | 0.414 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -56.7 | -43 | -178.1 | -68.9 | 174.9 | 0 | 0 | 0 | 112 | L203 Y210 C211 I294 | L203-L207 HydrophobicContact CD1-CD1 4.05Å; L203-L207 HydrophobicContact CD1-CG 3.99Å; L203-L207 HydrophobicContact CG-CD1 3.98Å; L203-L207 HydrophobicContact CG-CG 4.34Å; L203-L207 WeakPolarHBondContact O-CB 3.49Å; L203-L207 WeakPolarHBondContact O-CG 3.4Å; L203-L207 PolarHBondContact O-N 3.28Å; L207-Y210 PolarHBondContact O-N 3.07Å; L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 2.74Å; L207-C211 PolarHBondContact O-SG 3.34Å; L207-I294 HydrophobicContact CD2-CD1 3.95Å |
| 208 | A | 89.6 | Confident | 85.8 | Confident | 46 Ų | 46 | 52.9 Ų | 52.9 | 38% | 0.38 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -59.8 | -49.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.6 | A204 I205 I206 Y210 C211 Q212 | A204-A208 VanDerWaalsContact O-CB 3.26Å; A204-A208 WeakPolarHBondContact O-CB 3.42Å; A204-A208 PolarHBondContact O-N 3.06Å; I205-A208 PolarHBondContact O-N 3.48Å; I206-A208 VanDerWaalsContact C-N 3.29Å; I206-A208 PolarHBondContact O-N 3.5Å; A208-Y210 VanDerWaalsContact C-N 3.33Å; A208-Y210 PolarHBondContact O-N 3.39Å; A208-C211 PolarHBondContact O-N 2.95Å; A208-Q212 VanDerWaalsContact O-CG 3.26Å; A208-Q212 WeakPolarHBondContact O-CG 3.43Å; A208-Q212 PolarHBondContact O-N 2.89Å |
| 209 | M | 86.7 | Confident | 85 | Confident | 41 Ų | 41 | 61 Ų | 61 | 20% | 0.202 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 178 | -68.3 | -58.2 | 98 | 0 | 0 | 111.9 | I128 Y131 I205 I206 Q212 V213 | I128-M209 HydrophobicContact CG1-CG 3.92Å; I128-M209 HydrophobicContact CG1-SD 4.24Å; Y131-M209 HydrophobicContact CD1-SD 3.8Å; Y131-M209 HydrophobicContact CE1-SD 4.4Å; Y131-M209 HydrophobicContact CG-SD 3.98Å; I205-M209 HydrophobicContact CG2-CG 4.36Å; I205-M209 VanDerWaalsContact O-CG 3.3Å; I205-M209 WeakPolarHBondContact O-CG 3.25Å; I205-M209 PolarHBondContact O-N 3.21Å; I206-M209 PolarHBondContact O-N 3.37Å; I206-M209 VanDerWaalsContact O-N 3.08Å; M209-Q212 PolarHBondContact O-N 3.41Å; M209-V213 WeakPolarHBondContact O-CG2 3.3Å; M209-V213 PolarHBondContact O-N 2.85Å |
| 210 | Y | 80.9 | Confident | 83.8 | Confident | 36 Ų | 36 | 65.8 Ų | 65.8 | 14% | 0.141 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -66.3 | -42.9 | 176.5 | -87.7 | -84 | 0 | 0 | 0 | 113.1 | S127 I206 L207 A208 Q212 V213 Y214 L286 V290 | S127-Y210 WeakPolarHBondContact OG-CE2 3.31Å; I206-Y210 HydrophobicContact CG2-CD2 3.67Å; I206-Y210 HydrophobicContact CG2-CE2 3.75Å; I206-Y210 VanDerWaalsContact O-CD2 3.25Å; I206-Y210 WeakPolarHBondContact O-CD2 3.39Å; I206-Y210 PolarHBondContact O-N 3.44Å; L207-Y210 PolarHBondContact O-N 3.07Å; A208-Y210 VanDerWaalsContact C-N 3.33Å; A208-Y210 PolarHBondContact O-N 3.39Å; Y210-Q212 PolarHBondContact O-N 2.98Å; Y210-V213 PolarHBondContact O-N 3.28Å; Y210-Y214 VanDerWaalsContact O-CB 3.3Å; Y210-Y214 WeakPolarHBondContact O-CB 3.42Å; Y210-Y214 PolarHBondContact O-N 3.26Å; Y210-L286 HydrophobicContact CE1-CB 3.57Å; Y210-L286 WeakPolarHBondContact OH-CA 3.45Å; Y210-L286 WeakPolarHBondContact OH-CB 3.16Å; Y210-L286 PolarHBondContact OH-O 3.34Å; Y210-V290 HydrophobicContact CD2-CG2 4Å; Y210-V290 HydrophobicContact CE1-CG2 4.44Å; Y210-V290 HydrophobicContact CE2-CB 4.11Å; Y210-V290 HydrophobicContact CE2-CG1 4.49Å; Y210-V290 HydrophobicContact CE2-CG2 3.22Å; Y210-V290 VanDerWaalsContact CZ-CG2 3.44Å; Y210-V290 WeakPolarHBondContact OH-CG2 3.21Å |
| 211 | C | 83.4 | Confident | 82.6 | Confident | 77 Ų | 77 | 66.1 Ų | 66.1 | 52% | 0.52 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58.2 | -41.5 | 173.1 | -73.5 | 0 | 0 | 0 | 0 | 110.7 | L207 A208 Y214 T215 | L207-C211 WeakPolarHBondContact O-CB 3.41Å; L207-C211 PolarHBondContact O-N 2.74Å; L207-C211 PolarHBondContact O-SG 3.34Å; A208-C211 PolarHBondContact O-N 2.95Å; C211-Y214 PolarHBondContact O-N 2.97Å; C211-T215 WeakPolarHBondContact O-CB 3.15Å; C211-T215 WeakPolarHBondContact O-CG2 3.28Å; C211-T215 PolarHBondContact O-N 2.74Å; C211-T215 PolarHBondContact O-OG1 3.31Å |
| 212 | Q | 83.9 | Confident | 81.4 | Confident | 90 Ų | 90 | 67.6 Ų | 67.6 | 42% | 0.421 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -65.5 | -46.2 | 175.5 | -64.4 | -63.8 | -27.9 | 0 | 0 | 112 | Y131 A208 M209 Y210 Y214 T215 V216 | Y131-Q212 HydrophobicContact CD2-CB 3.82Å; Y131-Q212 HydrophobicContact CE2-CB 3.5Å; Y131-Q212 VanDerWaalsContact CE2-CB 3.5Å; Y131-Q212 HydrophobicContact CE2-CG 4.44Å; A208-Q212 VanDerWaalsContact O-CG 3.26Å; A208-Q212 WeakPolarHBondContact O-CG 3.43Å; A208-Q212 PolarHBondContact O-N 2.89Å; M209-Q212 PolarHBondContact O-N 3.41Å; Y210-Q212 PolarHBondContact O-N 2.98Å; Q212-Y214 PolarHBondContact O-N 2.92Å; Q212-T215 WeakPolarHBondContact CA-OG1 3.38Å; Q212-T215 PolarHBondContact O-N 2.96Å; Q212-T215 PolarHBondContact O-OG1 2.89Å; Q212-V216 WeakPolarHBondContact O-CB 3.45Å; Q212-V216 VanDerWaalsContact O-CG2 3.28Å; Q212-V216 WeakPolarHBondContact O-CG2 3.29Å; Q212-V216 PolarHBondContact O-N 3.35Å |
| 213 | V | 80 | Confident | 80.2 | Confident | 9 Ų | 9 | 69.9 Ų | 69.9 | 6% | 0.055 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -57.8 | -47.5 | 175 | 171.3 | 0 | 0 | 0 | 0 | 111.4 | Y131 V134 M209 Y210 V216 A217 A283 | Y131-V213 HydrophobicContact CD2-CG2 3.89Å; Y131-V213 HydrophobicContact CG-CG2 4.34Å; V134-V213 HydrophobicContact CG1-CG1 4.43Å; M209-V213 WeakPolarHBondContact O-CG2 3.3Å; M209-V213 PolarHBondContact O-N 2.85Å; Y210-V213 PolarHBondContact O-N 3.28Å; V213-V216 PolarHBondContact O-N 3.08Å; V213-A217 WeakPolarHBondContact O-CB 3.33Å; V213-A217 PolarHBondContact O-N 2.82Å; V213-A283 HydrophobicContact CG1-CB 4.15Å |
| 214 | Y | 77.6 | Confident | 79.1 | Confident | 134 Ų | 134 | 72.3 Ų | 72.3 | 53% | 0.525 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | -178.9 | 178.6 | -103.5 | 0 | 0 | 0 | 112 | Y210 C211 Q212 A217 R218 | Y210-Y214 VanDerWaalsContact O-CB 3.3Å; Y210-Y214 WeakPolarHBondContact O-CB 3.42Å; Y210-Y214 PolarHBondContact O-N 3.26Å; C211-Y214 PolarHBondContact O-N 2.97Å; Q212-Y214 PolarHBondContact O-N 2.92Å; Y214-A217 PolarHBondContact O-N 3.32Å; Y214-R218 HydrophobicContact CD1-CG 4.27Å; Y214-R218 HydrophobicContact CD2-CG 4.38Å; Y214-R218 HydrophobicContact CE1-CG 3.9Å; Y214-R218 HydrophobicContact CE2-CG 4.01Å; Y214-R218 VanDerWaalsContact O-CB 3.27Å; Y214-R218 WeakPolarHBondContact O-CB 3.39Å; Y214-R218 WeakPolarHBondContact O-CG 3.38Å; Y214-R218 PolarHBondContact O-N 3.47Å; Y214-R218 PolarHBondContact OH-NE 3.07Å; Y214-R218 PolarHBondContact OH-NH2 3.38Å |
| 215 | T | 79 | Confident | 77.6 | Confident | 50 Ų | 50 | 77.8 Ų | 77.8 | 31% | 0.307 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -66.4 | -41.8 | 177.8 | 53.3 | 0 | 0 | 0 | 0 | 111.7 | C211 Q212 R218 R219 | C211-T215 WeakPolarHBondContact O-CB 3.15Å; C211-T215 WeakPolarHBondContact O-CG2 3.28Å; C211-T215 PolarHBondContact O-N 2.74Å; C211-T215 PolarHBondContact O-OG1 3.31Å; Q212-T215 WeakPolarHBondContact CA-OG1 3.38Å; Q212-T215 PolarHBondContact O-N 2.96Å; Q212-T215 PolarHBondContact O-OG1 2.89Å; T215-R218 PolarHBondContact O-N 3.37Å; T215-R219 WeakPolarHBondContact O-CB 3.34Å; T215-R219 VanDerWaalsContact O-CG 3.22Å; T215-R219 WeakPolarHBondContact O-CG 3.49Å; T215-R219 PolarHBondContact O-N 3.37Å |
| 216 | V | 76.1 | Confident | 76.3 | Confident | 33 Ų | 33 | 79.7 Ų | 79.7 | 20% | 0.2 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 174.8 | 172.3 | 0 | 0 | 0 | 0 | 110.5 | V134 Q212 V213 R218 R219 E220 | V134-V216 HydrophobicContact CG1-CG1 4.48Å; Q212-V216 WeakPolarHBondContact O-CB 3.45Å; Q212-V216 VanDerWaalsContact O-CG2 3.28Å; Q212-V216 WeakPolarHBondContact O-CG2 3.29Å; Q212-V216 PolarHBondContact O-N 3.35Å; V213-V216 PolarHBondContact O-N 3.08Å; V216-R218 VanDerWaalsContact C-N 3.31Å; V216-R218 PolarHBondContact O-N 3.36Å; V216-R219 PolarHBondContact O-N 2.92Å; V216-E220 WeakPolarHBondContact O-CG 3.38Å; V216-E220 PolarHBondContact O-N 3.22Å |
| 217 | A | 69.5 | Low | 74.9 | Confident | 33 Ų | 33 | 83.3 Ų | 83.3 | 27% | 0.273 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -59.3 | -40.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.8 | V213 Y214 T221 | V213-A217 WeakPolarHBondContact O-CB 3.33Å; V213-A217 PolarHBondContact O-N 2.82Å; Y214-A217 PolarHBondContact O-N 3.32Å; A217-T221 PolarHBondContact O-N 2.91Å; A217-T221 VanDerWaalsContact O-N 3.11Å; A217-T221 PolarHBondContact O-OG1 3.21Å |
| 218 | R | 73.6 | Confident | 73.3 | Confident | 155 Ų | 155 | 83 Ų | 83 | 59% | 0.585 | 41% | 0.412 | S | S | * | . | H | α-helix | trans | -67.9 | -39.8 | 177 | -83.1 | -84.7 | -172.8 | 166.6 | -0.1 | 113 | Y214 T215 V216 E220 T221 K222 | Y214-R218 HydrophobicContact CD1-CG 4.27Å; Y214-R218 HydrophobicContact CD2-CG 4.38Å; Y214-R218 HydrophobicContact CE1-CG 3.9Å; Y214-R218 HydrophobicContact CE2-CG 4.01Å; Y214-R218 VanDerWaalsContact O-CB 3.27Å; Y214-R218 WeakPolarHBondContact O-CB 3.39Å; Y214-R218 WeakPolarHBondContact O-CG 3.38Å; Y214-R218 PolarHBondContact O-N 3.47Å; Y214-R218 PolarHBondContact OH-NE 3.07Å; Y214-R218 PolarHBondContact OH-NH2 3.38Å; T215-R218 PolarHBondContact O-N 3.37Å; V216-R218 VanDerWaalsContact C-N 3.31Å; V216-R218 PolarHBondContact O-N 3.36Å; R218-E220 VanDerWaalsContact C-N 3.34Å; R218-T221 PolarHBondContact O-N 2.9Å; R218-K222 WeakPolarHBondContact O-CB 3.41Å; R218-K222 PolarHBondContact O-N 2.99Å |
| 219 | R | 74.4 | Confident | 71.6 | Confident | 176 Ų | 176 | 86.9 Ų | 86.9 | 66% | 0.664 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -62.1 | -43 | 178.6 | -77.5 | 172.1 | -176.4 | -173.9 | 2.6 | 111.1 | T215 V216 K222 S223 | T215-R219 WeakPolarHBondContact O-CB 3.34Å; T215-R219 VanDerWaalsContact O-CG 3.22Å; T215-R219 WeakPolarHBondContact O-CG 3.49Å; T215-R219 PolarHBondContact O-N 3.37Å; V216-R219 PolarHBondContact O-N 2.92Å; R219-K222 PolarHBondContact O-N 3.48Å; R219-S223 PolarHBondContact O-N 2.91Å |
| 220 | E | 66 | Low | 69.9 | Low | 101 Ų | 101 | 86.2 Ų | 86.2 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -70.6 | -36.9 | 178.1 | -61.3 | -57.9 | 155 | 0 | 0 | 112.6 | V216 R218 K222 S223 I224 | V216-E220 WeakPolarHBondContact O-CG 3.38Å; V216-E220 PolarHBondContact O-N 3.22Å; R218-E220 VanDerWaalsContact C-N 3.34Å; E220-K222 VanDerWaalsContact C-N 3.28Å; E220-K222 PolarHBondContact O-N 3.25Å; E220-S223 WeakPolarHBondContact CA-OG 3.31Å; E220-S223 PolarHBondContact O-N 3.47Å; E220-S223 PolarHBondContact O-OG 3.13Å; E220-I224 VanDerWaalsContact O-CG1 3.28Å; E220-I224 WeakPolarHBondContact O-CG1 3.48Å; E220-I224 PolarHBondContact O-N 2.74Å |
| 221 | T | 67.8 | Low | 68.3 | Low | 79 Ų | 79 | 89.1 Ų | 89.1 | 49% | 0.485 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.6 | -35.7 | 174.6 | -51.2 | 0 | 0 | 0 | 0 | 111.4 | A217 R218 R225 | A217-T221 PolarHBondContact O-N 2.91Å; A217-T221 VanDerWaalsContact O-N 3.11Å; A217-T221 PolarHBondContact O-OG1 3.21Å; R218-T221 PolarHBondContact O-N 2.9Å; T221-R225 WeakPolarHBondContact O-CB 3.47Å; T221-R225 PolarHBondContact O-N 2.96Å; T221-R225 VanDerWaalsContact O-N 3.1Å |
| 222 | K | 68.9 | Low | 66.5 | Low | 129 Ų | 129 | 93.3 Ų | 93.3 | 56% | 0.561 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -69.7 | -44.3 | 176.7 | -172.6 | 177.6 | 170.1 | -177.2 | 0 | 111.3 | R218 R219 E220 I224 R225 E226 | R218-K222 WeakPolarHBondContact O-CB 3.41Å; R218-K222 PolarHBondContact O-N 2.99Å; R219-K222 PolarHBondContact O-N 3.48Å; E220-K222 VanDerWaalsContact C-N 3.28Å; E220-K222 PolarHBondContact O-N 3.25Å; K222-I224 PolarHBondContact O-N 3.02Å; K222-R225 PolarHBondContact O-N 3.29Å; K222-E226 WeakPolarHBondContact CE-OE1 3.23Å; K222-E226 HydrophobicContact CG-CG 4.43Å; K222-E226 IonicContact NZ-OE1 3.53Å; K222-E226 WeakPolarHBondContact O-CB 3.31Å; K222-E226 WeakPolarHBondContact O-CG 3.25Å; K222-E226 PolarHBondContact O-N 3.41Å |
| 223 | S | 68.9 | Low | 64.6 | Low | 51 Ų | 51 | 95 Ų | 95 | 36% | 0.357 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -62.8 | -40.7 | 177.4 | 68.4 | 0 | 0 | 0 | 0 | 112.2 | R219 E220 E226 S227 | R219-S223 PolarHBondContact O-N 2.91Å; E220-S223 WeakPolarHBondContact CA-OG 3.31Å; E220-S223 PolarHBondContact O-N 3.47Å; E220-S223 PolarHBondContact O-OG 3.13Å; S223-E226 PolarHBondContact O-N 3.41Å; S223-S227 WeakPolarHBondContact O-CB 3.49Å; S223-S227 PolarHBondContact O-N 2.97Å |
| 224 | I | 68.1 | Low | 62.6 | Low | 70 Ų | 70 | 99.8 Ų | 99.8 | 36% | 0.359 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.7 | -46.3 | 175.1 | -67.1 | 167 | 0 | 0 | 0 | 110.7 | E220 K222 E226 S227 T228 L273 | E220-I224 VanDerWaalsContact O-CG1 3.28Å; E220-I224 WeakPolarHBondContact O-CG1 3.48Å; E220-I224 PolarHBondContact O-N 2.74Å; K222-I224 PolarHBondContact O-N 3.02Å; I224-E226 VanDerWaalsContact C-N 3.31Å; I224-E226 PolarHBondContact O-N 3.03Å; I224-S227 PolarHBondContact O-N 3.04Å; I224-T228 PolarHBondContact O-N 3.47Å; I224-T228 PolarHBondContact O-OG1 3.13Å; I224-L273 HydrophobicContact CD1-CD1 4.11Å |
| 225 | R | 62.3 | Low | 60.8 | Low | 173 Ų | 173 | 102.2 Ų | 102.2 | 65% | 0.653 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.7 | -33.9 | 179.1 | -174.1 | 177.1 | 172.6 | -165.7 | -2.7 | 112.5 | T221 K222 K229 | T221-R225 WeakPolarHBondContact O-CB 3.47Å; T221-R225 PolarHBondContact O-N 2.96Å; T221-R225 VanDerWaalsContact O-N 3.1Å; K222-R225 PolarHBondContact O-N 3.29Å; R225-K229 WeakPolarHBondContact O-CB 3.42Å; R225-K229 WeakPolarHBondContact O-CG 3.34Å; R225-K229 PolarHBondContact O-N 3.43Å |
| 226 | E | 65.4 | Low | 58.8 | Low | 111 Ų | 111 | 103 Ų | 103 | 52% | 0.519 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -72.2 | -38.6 | 173.9 | -74.8 | 173.9 | 172.2 | 0 | 0 | 111.6 | K222 S223 I224 K229 G230 | K222-E226 WeakPolarHBondContact CE-OE1 3.23Å; K222-E226 HydrophobicContact CG-CG 4.43Å; K222-E226 IonicContact NZ-OE1 3.53Å; K222-E226 WeakPolarHBondContact O-CB 3.31Å; K222-E226 WeakPolarHBondContact O-CG 3.25Å; K222-E226 PolarHBondContact O-N 3.41Å; S223-E226 PolarHBondContact O-N 3.41Å; I224-E226 VanDerWaalsContact C-N 3.31Å; I224-E226 PolarHBondContact O-N 3.03Å; E226-K229 PolarHBondContact O-N 2.93Å; E226-G230 PolarHBondContact O-N 3.28Å |
| 227 | S | 60.3 | Low | 57.2 | Low | 76 Ų | 76 | 104.1 Ų | 104.1 | 53% | 0.531 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -64.4 | -40.2 | 170.7 | -103.9 | 0 | 0 | 0 | 0 | 112.6 | S223 I224 G230 E231 | S223-S227 WeakPolarHBondContact O-CB 3.49Å; S223-S227 PolarHBondContact O-N 2.97Å; I224-S227 PolarHBondContact O-N 3.04Å; S227-G230 PolarHBondContact O-N 3.11Å; S227-E231 WeakPolarHBondContact O-CB 3.02Å; S227-E231 WeakPolarHBondContact O-CG 3.48Å; S227-E231 PolarHBondContact O-N 2.97Å |
| 228 | T | 57.6 | Low | 55.6 | Low | 72 Ų | 72 | 107.6 Ų | 107.6 | 44% | 0.442 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -68.5 | -37.7 | 176.8 | -53.2 | 0 | 0 | 0 | 0 | 112 | I224 G230 E232 | I224-T228 PolarHBondContact O-N 3.47Å; I224-T228 PolarHBondContact O-OG1 3.13Å; T228-G230 VanDerWaalsContact C-N 3.34Å; T228-E232 PolarHBondContact O-N 3.46Å |
| 229 | K | 53.3 | Low | 53.7 | Low | 128 Ų | 128 | 107 Ų | 107 | 56% | 0.557 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -69.8 | -32.6 | 171.5 | -81.9 | -173.6 | 168.1 | -164.6 | 0 | 112.7 | R225 E226 V233 | R225-K229 WeakPolarHBondContact O-CB 3.42Å; R225-K229 WeakPolarHBondContact O-CG 3.34Å; R225-K229 PolarHBondContact O-N 3.43Å; E226-K229 PolarHBondContact O-N 2.93Å; K229-V233 WeakPolarHBondContact O-CG2 3.07Å |
| 230 | G | 50.6 | Low | 51.9 | Low | 27 Ų | 27 | 106.8 Ų | 106.8 | 28% | 0.278 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -68.8 | -44.3 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | E226 S227 T228 E232 V233 E234 | E226-G230 PolarHBondContact O-N 3.28Å; S227-G230 PolarHBondContact O-N 3.11Å; T228-G230 VanDerWaalsContact C-N 3.34Å; G230-E232 PolarHBondContact O-N 3.42Å; G230-V233 CarbonylContact O-C 3.57Å; G230-V233 WeakPolarHBondContact O-CA 3.47Å; G230-V233 PolarHBondContact O-N 2.87Å; G230-E234 WeakPolarHBondContact O-CB 3.33Å; G230-E234 PolarHBondContact O-N 3.43Å |
| 231 | E | 48.6 | Very low | 50.4 | Low | 97 Ų | 97 | 112.7 Ų | 112.7 | 45% | 0.453 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.2 | -29.9 | 178.1 | -79.6 | -179.2 | 155 | 0 | 0 | 113.8 | S227 V233 F268 | S227-E231 WeakPolarHBondContact O-CB 3.02Å; S227-E231 WeakPolarHBondContact O-CG 3.48Å; S227-E231 PolarHBondContact O-N 2.97Å; E231-V233 PolarHBondContact O-N 2.96Å; E231-F268 VanDerWaalsContact OE1-CZ 3.27Å; E231-F268 WeakPolarHBondContact OE1-CZ 3.26Å; E231-F268 WeakPolarHBondContact OE2-CZ 3.35Å |
| 232 | E | 43.9 | Very low | 48.8 | Very low | 165 Ų | 165 | 117.6 Ų | 117.6 | 77% | 0.771 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67.7 | -20.3 | 168.4 | -82.8 | -175.4 | 161.5 | 0 | 0 | 112.6 | T228 G230 | T228-E232 PolarHBondContact O-N 3.46Å; G230-E232 PolarHBondContact O-N 3.42Å |
| 233 | V | 43.9 | Very low | 47 | Very low | 126 Ų | 126 | 120.2 Ų | 120.2 | 76% | 0.764 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103 | -22.7 | 178.9 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | K229 G230 E231 | K229-V233 WeakPolarHBondContact O-CG2 3.07Å; G230-V233 CarbonylContact O-C 3.57Å; G230-V233 WeakPolarHBondContact O-CA 3.47Å; G230-V233 PolarHBondContact O-N 2.87Å; E231-V233 PolarHBondContact O-N 2.96Å |
| 234 | E | 39.9 | Very low | 45.5 | Very low | 110 Ų | 110 | 129.3 Ų | 129.3 | 51% | 0.514 | 66% | 0.664 | S | S | . | * | trans | -103.9 | 30.4 | -178.6 | -94.2 | -172.4 | 159.4 | 0 | 0 | 113.9 | G230 G236 | G230-E234 WeakPolarHBondContact O-CB 3.33Å; G230-E234 PolarHBondContact O-N 3.43Å; E234-G236 PolarHBondContact O-N 3.34Å | ||
| 235 | M | 38 | Very low | 43.7 | Very low | 184 Ų | 184 | 129.2 Ų | 129.2 | 91% | 0.906 | 68% | 0.68 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.4 | 31.5 | 156.2 | -117.1 | -84.9 | -74.6 | 0 | 0 | 111.7 | ||
| 236 | G | 38.7 | Very low | 42.5 | Very low | 68 Ų | 68 | 129.4 Ų | 129.4 | 70% | 0.701 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -151.2 | 37.8 | -175 | 0 | 0 | 0 | 0 | 0 | 111.4 | E234 | E234-G236 PolarHBondContact O-N 3.34Š|
| 237 | G | 41.7 | Very low | 41 | Very low | 56 Ų | 56 | 128.6 Ų | 128.6 | 58% | 0.577 | 71% | 0.706 | S | S | * | * | trans | 88.1 | 107 | 160.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 238 | V | 36.5 | Very low | 39.6 | Very low | 106 Ų | 106 | 129.5 Ų | 129.5 | 64% | 0.642 | 72% | 0.719 | S | S | * | * | -164.6 | 113.3 | 129.1 | 168.3 | 0 | 0 | 0 | 0 | 107.5 | |||||
| 239 | T | 34.1 | Very low | 38.4 | Very low | 141 Ų | 141 | 130.5 Ų | 130.5 | 87% | 0.865 | 73% | 0.734 | S | S | * | * | trans | -88.1 | 115.9 | 169.3 | 44.6 | 0 | 0 | 0 | 0 | 110.4 | R241 | T239-R241 PolarHBondContact O-N 2.94Š| ||
| 240 | L | 36.3 | Very low | 37.4 | Very low | 173 Ų | 173 | 133.8 Ų | 133.8 | 91% | 0.906 | 75% | 0.752 | S | S | * | * | trans | -71 | 115.2 | 173 | -104.8 | 156.9 | 0 | 0 | 0 | 111.4 | M242 | L240-M242 PolarHBondContact O-N 3.32Š| ||
| 241 | R | 32.8 | Very low | 36.4 | Very low | 225 Ų | 225 | 137.4 Ų | 137.4 | 85% | 0.849 | 78% | 0.779 | S | S | * | * | trans | -88.8 | 100.3 | -179.2 | -161.4 | 176.5 | -172.1 | 140.3 | -0.5 | 109.9 | T239 H243 | T239-R241 PolarHBondContact O-N 2.94Å; R241-H243 PolarHBondContact O-N 2.75Å | ||
| 242 | M | 35.8 | Very low | 35.5 | Very low | 182 Ų | 182 | 136.6 Ų | 136.6 | 90% | 0.897 | 80% | 0.796 | S | S | * | * | trans | -67.4 | 119.4 | 167.4 | -76 | -166 | -169.1 | 0 | 0 | 109.6 | L240 R244 | L240-M242 PolarHBondContact O-N 3.32Å; M242-R244 PolarHBondContact O-N 3.18Å | ||
| 243 | H | 30.8 | Very low | 34.8 | Very low | 184 Ų | 184 | 138.3 Ų | 138.3 | 85% | 0.852 | 80% | 0.801 | S | S | * | * | trans | -64.7 | 101.9 | 169.3 | -94.3 | -125.4 | 0 | 0 | 0 | 109.7 | R241 | R241-H243 PolarHBondContact O-N 2.75Š| ||
| 244 | R | 37.3 | Very low | 34.1 | Very low | 242 Ų | 242 | 140.9 Ų | 140.9 | 91% | 0.913 | 80% | 0.804 | S | S | * | * | trans | -89.9 | 114.8 | 164.2 | -167.4 | 172.2 | 173.1 | 156.7 | -3.1 | 107.3 | M242 | M242-R244 PolarHBondContact O-N 3.18Š| ||
| 245 | G | 30.8 | Very low | 33.6 | Very low | 67 Ų | 67 | 143.2 Ų | 143.2 | 69% | 0.691 | 82% | 0.815 | S | S | * | * | trans | -54.1 | 145.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | A247 | G245-A247 PolarHBondContact O-N 3.08Š| ||
| 246 | N | 35.6 | Very low | 33.2 | Very low | 177 Ų | 177 | 142.2 Ų | 142.2 | 95% | 0.947 | 81% | 0.814 | S | S | * | * | trans | -42.6 | 121.7 | 176.5 | -91.4 | 0.2 | 0 | 0 | 0 | 113.3 | ||||
| 247 | A | 33.7 | Very low | 32.7 | Very low | 94 Ų | 94 | 142.6 Ų | 142.6 | 78% | 0.777 | 82% | 0.818 | S | S | * | * | trans | -134.4 | 112 | 155.6 | 0 | 0 | 0 | 0 | 0 | 108.6 | G245 | G245-A247 PolarHBondContact O-N 3.08Š| ||
| 248 | A | 32.1 | Very low | 32.4 | Very low | 96 Ų | 96 | 149.3 Ų | 149.3 | 79% | 0.793 | 83% | 0.834 | S | S | * | * | trans | 57.1 | 116.1 | 150.3 | 0 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 249 | A | 32.5 | Very low | 32 | Very low | 93 Ų | 93 | 153.4 Ų | 153.4 | 77% | 0.769 | 85% | 0.846 | S | S | * | * | 67.6 | 117.3 | 121 | 0 | 0 | 0 | 0 | 0 | 120.9 | |||||
| 250 | Q | 31.2 | Very low | 31.8 | Very low | 197 Ų | 197 | 151.1 Ų | 151.1 | 92% | 0.921 | 84% | 0.841 | S | S | * | * | trans | 39.9 | 117.1 | 137 | -72.7 | 177.7 | -9.5 | 0 | 0 | 119.5 | ||||
| 251 | A | 29.5 | Very low | 31.5 | Very low | 103 Ų | 103 | 146.5 Ų | 146.5 | 85% | 0.851 | 84% | 0.836 | S | S | * | * | 172.6 | 136.9 | 112.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 252 | G | 29.6 | Very low | 31.4 | Very low | 79 Ų | 79 | 141.9 Ų | 141.9 | 81% | 0.814 | 83% | 0.833 | S | S | * | * | trans | 87.1 | 114.7 | 136 | 0 | 0 | 0 | 0 | 0 | 120.1 | ||||
| 253 | K | 30.5 | Very low | 31.4 | Very low | 202 Ų | 202 | 142.3 Ų | 142.3 | 88% | 0.878 | 83% | 0.832 | S | S | * | * | trans | -61 | 141.7 | 156.6 | -74.6 | 171.7 | 166.4 | -178.9 | 0 | 111.6 | ||||
| 254 | H | 28.1 | Very low | 31.7 | Very low | 179 Ų | 179 | 142.8 Ų | 142.8 | 83% | 0.829 | 83% | 0.832 | S | S | * | * | -174.1 | 156.5 | 122.8 | -116.6 | -79.2 | 0 | 0 | 0 | 113.2 | |||||
| 255 | E | 29.5 | Very low | 31.5 | Very low | 159 Ų | 159 | 142.1 Ų | 142.1 | 74% | 0.743 | 83% | 0.829 | S | S | * | * | trans | -75.7 | 158.8 | -167.7 | -65.4 | 162.2 | 141.7 | 0 | 0 | 116.9 | ||||
| 256 | D | 29.4 | Very low | 32 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 87% | 0.872 | 83% | 0.832 | S | S | * | * | trans | 34.4 | 129.2 | 146.2 | -64.2 | -21.3 | 0 | 0 | 0 | 122.8 | ||||
| 257 | G | 29.2 | Very low | 32.2 | Very low | 76 Ų | 76 | 141.2 Ų | 141.2 | 78% | 0.784 | 82% | 0.824 | S | S | * | * | trans | 178.3 | 105.3 | 163 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 258 | E | 34.2 | Very low | 32.9 | Very low | 197 Ų | 197 | 142.6 Ų | 142.6 | 92% | 0.921 | 81% | 0.812 | S | S | * | * | trans | -57.4 | 129 | 165.4 | -77.9 | 175.3 | 123.4 | 0 | 0 | 110.6 | ||||
| 259 | E | 28.3 | Very low | 33.8 | Very low | 193 Ų | 193 | 141.1 Ų | 141.1 | 90% | 0.902 | 80% | 0.795 | S | S | * | * | trans | -160.7 | 128.2 | 150.5 | -116.5 | 175.9 | -164.5 | 0 | 0 | 113.8 | ||||
| 260 | A | 31.1 | Very low | 34.5 | Very low | 92 Ų | 92 | 141.9 Ų | 141.9 | 76% | 0.76 | 79% | 0.785 | S | S | * | * | trans | 11.1 | 106.5 | 161.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | T262 | A260-T262 PolarHBondContact O-N 3.47Š| ||
| 261 | G | 28.8 | Very low | 35.5 | Very low | 77 Ų | 77 | 136.9 Ų | 136.9 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | -64.3 | 99.2 | 168.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | H263 | G261-H263 PolarHBondContact O-N 3.44Š| ||
| 262 | T | 30.7 | Very low | 36.4 | Very low | 127 Ų | 127 | 138.4 Ų | 138.4 | 78% | 0.779 | 76% | 0.757 | S | S | * | * | trans | -72.4 | 113.6 | 161.5 | -50.4 | 0 | 0 | 0 | 0 | 108.1 | A260 K264 | A260-T262 PolarHBondContact O-N 3.47Å; T262-K264 PolarHBondContact O-N 3.5Å | ||
| 263 | H | 35.8 | Very low | 37.4 | Very low | 191 Ų | 191 | 139 Ų | 139 | 88% | 0.884 | 74% | 0.741 | S | S | * | * | trans | -55.9 | 92.1 | 174.5 | -83.7 | -82.9 | 0 | 0 | 0 | 111.4 | G261 R265 | G261-H263 PolarHBondContact O-N 3.44Å; H263-R265 PolarHBondContact O-N 2.93Å; H263-R265 VanDerWaalsContact O-N 3.16Å | ||
| 264 | K | 37.1 | Very low | 38.4 | Very low | 195 Ų | 195 | 135.1 Ų | 135.1 | 85% | 0.848 | 73% | 0.729 | S | S | * | * | trans | -76.6 | 97.4 | 162 | -74.4 | -177.3 | -179.6 | 174.4 | 0 | 107.4 | T262 | T262-K264 PolarHBondContact O-N 3.5Š| ||
| 265 | R | 34.5 | Very low | 39.6 | Very low | 228 Ų | 228 | 135.1 Ų | 135.1 | 86% | 0.86 | 72% | 0.722 | S | S | * | * | trans | -45.6 | 132 | 167.2 | -87.1 | 178.4 | 169.3 | 167.4 | -3 | 109 | H263 S267 | H263-R265 PolarHBondContact O-N 2.93Å; H263-R265 VanDerWaalsContact O-N 3.16Å; R265-S267 PolarHBondContact O-N 2.97Å | ||
| 266 | P | 40.7 | Very low | 40.5 | Very low | 115 Ų | 115 | 131.7 Ų | 131.7 | 75% | 0.747 | 71% | 0.705 | S | S | * | * | trans | -65 | 110.8 | 167.7 | 27.8 | -29.3 | 0 | 0 | 0 | 106 | F268 | P266-F268 VanDerWaalsContact C-N 3.27Å; P266-F268 PolarHBondContact O-N 3.3Å | ||
| 267 | S | 39.6 | Very low | 41.4 | Very low | 110 Ų | 110 | 127.5 Ų | 127.5 | 77% | 0.769 | 69% | 0.688 | S | S | * | * | trans | -62.7 | 97.1 | 167.9 | 53.2 | 0 | 0 | 0 | 0 | 107.1 | R265 | R265-S267 PolarHBondContact O-N 2.97Š| ||
| 268 | F | 49.4 | Very low | 42.5 | Very low | 122 Ų | 122 | 126 Ų | 126 | 54% | 0.535 | 67% | 0.673 | S | S | . | * | trans | -42.8 | 136.8 | 153.8 | -100.1 | -90.1 | 0 | 0 | 0 | 107.2 | E231 P266 L270 | E231-F268 VanDerWaalsContact OE1-CZ 3.27Å; E231-F268 WeakPolarHBondContact OE1-CZ 3.26Å; E231-F268 WeakPolarHBondContact OE2-CZ 3.35Å; P266-F268 VanDerWaalsContact C-N 3.27Å; P266-F268 PolarHBondContact O-N 3.3Å; F268-L270 PolarHBondContact O-N 3.07Å | ||
| 269 | P | 50.6 | Low | 43.5 | Very low | 66 Ų | 66 | 119 Ų | 119 | 43% | 0.429 | 64% | 0.64 | S | S | . | * | trans | -70.9 | 77.2 | 175.5 | 28.5 | -31.6 | 0 | 0 | 0 | 108.7 | P271 K272 L273 | P269-P271 VanDerWaalsContact O-N 3.14Å; P269-K272 HydrophobicContact CB-CB 4.28Å; P269-K272 HydrophobicContact CB-CD 4.09Å; P269-K272 HydrophobicContact CB-CG 4.11Å; P269-K272 HydrophobicContact CG-CB 4.43Å; P269-K272 HydrophobicContact CG-CD 3.99Å; P269-K272 HydrophobicContact CG-CG 4.43Å; P269-K272 WeakPolarHBondContact O-CA 3.4Å; P269-K272 WeakPolarHBondContact O-CB 3.44Å; P269-K272 PolarHBondContact O-N 2.91Å; P269-L273 PolarHBondContact O-N 3.31Å | ||
| 270 | L | 47.8 | Very low | 44.8 | Very low | 109 Ų | 109 | 115.9 Ų | 115.9 | 57% | 0.571 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -45.4 | -34.8 | 168 | -155 | 75.5 | 0 | 0 | 0 | 112 | F268 K272 L273 L274 | F268-L270 PolarHBondContact O-N 3.07Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 2.9Å; L270-L273 PolarHBondContact O-N 3.37Å; L270-L274 HydrophobicContact CD2-CD1 4.33Å; L270-L274 HydrophobicContact CG-CD1 4.01Å; L270-L274 HydrophobicContact CG-CG 4.48Å; L270-L274 WeakPolarHBondContact O-CB 3.32Å; L270-L274 VanDerWaalsContact O-CG 3.3Å; L270-L274 WeakPolarHBondContact O-CG 3.15Å; L270-L274 PolarHBondContact O-N 3.43Å |
| 271 | P | 50.3 | Low | 46.2 | Very low | 91 Ų | 91 | 116.4 Ų | 116.4 | 59% | 0.591 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -64.7 | -31.4 | 174 | -21.6 | 33.5 | 0 | 0 | 0 | 114.1 | P269 R275 | P269-P271 VanDerWaalsContact O-N 3.14Å; P271-R275 WeakPolarHBondContact O-CB 3.27Å; P271-R275 VanDerWaalsContact O-CG 3.29Å; P271-R275 WeakPolarHBondContact O-CG 2.99Å; P271-R275 PolarHBondContact O-N 2.93Å |
| 272 | K | 50.2 | Low | 47.6 | Very low | 135 Ų | 135 | 114.5 Ų | 114.5 | 59% | 0.587 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -71.9 | -51 | 175.4 | -72.7 | -175.6 | -178.8 | 176.6 | 0 | 109.7 | P269 L270 L274 R275 F276 | P269-K272 HydrophobicContact CB-CB 4.28Å; P269-K272 HydrophobicContact CB-CD 4.09Å; P269-K272 HydrophobicContact CB-CG 4.11Å; P269-K272 HydrophobicContact CG-CB 4.43Å; P269-K272 HydrophobicContact CG-CD 3.99Å; P269-K272 HydrophobicContact CG-CG 4.43Å; P269-K272 WeakPolarHBondContact O-CA 3.4Å; P269-K272 WeakPolarHBondContact O-CB 3.44Å; P269-K272 PolarHBondContact O-N 2.91Å; L270-K272 VanDerWaalsContact C-N 3.32Å; L270-K272 PolarHBondContact O-N 2.9Å; K272-L274 VanDerWaalsContact C-N 3.35Å; K272-L274 PolarHBondContact O-N 3.39Å; K272-R275 PolarHBondContact O-N 3.24Å; K272-F276 VanDerWaalsContact C-CD2 3.44Å; K272-F276 HydrophobicContact CB-CD2 4.19Å; K272-F276 HydrophobicContact CB-CE2 3.94Å; K272-F276 WeakPolarHBondContact O-CD2 3.29Å; K272-F276 WeakPolarHBondContact O-CG 3.21Å; K272-F276 PolarHBondContact O-N 3.38Å |
| 273 | L | 50.5 | Low | 49.1 | Very low | 93 Ų | 93 | 109.7 Ų | 109.7 | 49% | 0.487 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -60.8 | -40.2 | -178.7 | -157.9 | 78 | 0 | 0 | 0 | 112.9 | I224 P269 L270 F276 S277 | I224-L273 HydrophobicContact CD1-CD1 4.11Å; P269-L273 PolarHBondContact O-N 3.31Å; L270-L273 PolarHBondContact O-N 3.37Å; L273-F276 PolarHBondContact O-N 2.93Å; L273-S277 PolarHBondContact O-N 3.29Å |
| 274 | L | 51 | Low | 50.6 | Low | 120 Ų | 120 | 109.8 Ų | 109.8 | 63% | 0.628 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -68.9 | -36.1 | 176 | -73.8 | 168.3 | 0 | 0 | 0 | 113 | L270 K272 | L270-L274 HydrophobicContact CD2-CD1 4.33Å; L270-L274 HydrophobicContact CG-CD1 4.01Å; L270-L274 HydrophobicContact CG-CG 4.48Å; L270-L274 WeakPolarHBondContact O-CB 3.32Å; L270-L274 VanDerWaalsContact O-CG 3.3Å; L270-L274 WeakPolarHBondContact O-CG 3.15Å; L270-L274 PolarHBondContact O-N 3.43Å; K272-L274 VanDerWaalsContact C-N 3.35Å; K272-L274 PolarHBondContact O-N 3.39Å |
| 275 | R | 52.6 | Low | 52 | Low | 178 Ų | 178 | 101.5 Ų | 101.5 | 67% | 0.672 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -66.9 | -41 | 172.2 | -77.1 | 179.8 | 77.2 | 140.7 | 2.4 | 111.3 | P271 K272 S277 G278 E279 | P271-R275 WeakPolarHBondContact O-CB 3.27Å; P271-R275 VanDerWaalsContact O-CG 3.29Å; P271-R275 WeakPolarHBondContact O-CG 2.99Å; P271-R275 PolarHBondContact O-N 2.93Å; K272-R275 PolarHBondContact O-N 3.24Å; R275-S277 PolarHBondContact O-N 3.13Å; R275-G278 PolarHBondContact O-N 2.99Å; R275-E279 WeakPolarHBondContact O-CG 3.46Å; R275-E279 PolarHBondContact O-N 2.98Å |
| 276 | F | 49.5 | Very low | 53.6 | Low | 87 Ų | 87 | 91.8 Ų | 91.8 | 38% | 0.382 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 178.8 | -75.4 | -59.2 | 0 | 0 | 0 | 113.5 | K272 L273 G278 E279 E280 | K272-F276 VanDerWaalsContact C-CD2 3.44Å; K272-F276 HydrophobicContact CB-CD2 4.19Å; K272-F276 HydrophobicContact CB-CE2 3.94Å; K272-F276 WeakPolarHBondContact O-CD2 3.29Å; K272-F276 WeakPolarHBondContact O-CG 3.21Å; K272-F276 PolarHBondContact O-N 3.38Å; L273-F276 PolarHBondContact O-N 2.93Å; F276-G278 VanDerWaalsContact C-N 3.28Å; F276-G278 PolarHBondContact O-N 3.23Å; F276-E279 PolarHBondContact O-N 3.41Å; F276-E279 VanDerWaalsContact O-N 3.13Å; F276-E280 PolarHBondContact O-N 2.92Å |
| 277 | S | 47.9 | Very low | 55.2 | Low | 75 Ų | 75 | 88 Ų | 88 | 52% | 0.524 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -63.2 | -32.7 | 175.5 | -179.4 | 0 | 0 | 0 | 0 | 113 | L273 R275 | L273-S277 PolarHBondContact O-N 3.29Å; R275-S277 PolarHBondContact O-N 3.13Å |
| 278 | G | 51.8 | Low | 57 | Low | 45 Ų | 45 | 85.6 Ų | 85.6 | 46% | 0.464 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -70.2 | -35.5 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R275 F276 A282 | R275-G278 PolarHBondContact O-N 2.99Å; F276-G278 VanDerWaalsContact C-N 3.28Å; F276-G278 PolarHBondContact O-N 3.23Å; G278-A282 PolarHBondContact O-N 3.17Å; G278-A282 VanDerWaalsContact O-N 3.16Å |
| 279 | E | 55.7 | Low | 58.3 | Low | 49 Ų | 49 | 80.2 Ų | 80.2 | 23% | 0.229 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -73.6 | -37.2 | -179.2 | -71.4 | 172.2 | -177.9 | 0 | 0 | 112.6 | R275 F276 K281 A282 A283 | R275-E279 WeakPolarHBondContact O-CG 3.46Å; R275-E279 PolarHBondContact O-N 2.98Å; F276-E279 PolarHBondContact O-N 3.41Å; F276-E279 VanDerWaalsContact O-N 3.13Å; E279-K281 VanDerWaalsContact C-N 3.31Å; E279-K281 PolarHBondContact O-N 2.96Å; E279-A282 WeakPolarHBondContact O-CB 3.39Å; E279-A282 PolarHBondContact O-N 3.09Å; E279-A283 PolarHBondContact O-N 3.23Å |
| 280 | E | 56.3 | Low | 59.7 | Low | 128 Ų | 128 | 77.5 Ų | 77.5 | 60% | 0.598 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -61.1 | -41.3 | 172.5 | -172.5 | -174.7 | 172.1 | 0 | 0 | 111.5 | F276 A282 A283 R284 | F276-E280 PolarHBondContact O-N 2.92Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.38Å; E280-A283 PolarHBondContact O-N 2.92Å; E280-R284 PolarHBondContact O-N 3.35Å; E280-R284 VanDerWaalsContact O-N 3.1Å |
| 281 | K | 59.5 | Low | 61.5 | Low | 103 Ų | 103 | 73.6 Ų | 73.6 | 45% | 0.448 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -64.7 | -38.1 | 176.3 | -168.7 | 174.9 | -177.7 | 175.9 | 0 | 111.9 | E279 R284 T285 | E279-K281 VanDerWaalsContact C-N 3.31Å; E279-K281 PolarHBondContact O-N 2.96Å; K281-R284 PolarHBondContact O-N 3.09Å; K281-T285 PolarHBondContact O-N 3.07Å; K281-T285 PolarHBondContact O-OG1 3.49Å; K281-T285 VanDerWaalsContact O-OG1 3.08Å |
| 282 | A | 58.9 | Low | 63.2 | Low | 38 Ų | 38 | 71 Ų | 71 | 31% | 0.314 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -66.9 | -40 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112 | G278 E279 E280 R284 T285 L286 | G278-A282 PolarHBondContact O-N 3.17Å; G278-A282 VanDerWaalsContact O-N 3.16Å; E279-A282 WeakPolarHBondContact O-CB 3.39Å; E279-A282 PolarHBondContact O-N 3.09Å; E280-A282 VanDerWaalsContact C-N 3.32Å; E280-A282 PolarHBondContact O-N 3.38Å; A282-R284 VanDerWaalsContact C-N 3.31Å; A282-R284 PolarHBondContact O-N 3.47Å; A282-T285 WeakPolarHBondContact O-CB 3.27Å; A282-T285 PolarHBondContact O-N 2.85Å; A282-L286 WeakPolarHBondContact O-CB 2.98Å; A282-L286 WeakPolarHBondContact O-CD1 3.39Å; A282-L286 VanDerWaalsContact O-CG 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.35Å; A282-L286 PolarHBondContact O-N 3.27Å; A282-L286 VanDerWaalsContact O-N 3.16Å |
| 283 | A | 62.3 | Low | 64.9 | Low | 25 Ų | 25 | 64.8 Ų | 64.8 | 21% | 0.207 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -62.3 | -36.3 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | V213 E279 E280 L286 G287 | V213-A283 HydrophobicContact CG1-CB 4.15Å; E279-A283 PolarHBondContact O-N 3.23Å; E280-A283 PolarHBondContact O-N 2.92Å; A283-L286 PolarHBondContact O-N 3.02Å; A283-G287 PolarHBondContact O-N 2.64Å; A283-G287 VanDerWaalsContact O-N 3.09Å |
| 284 | R | 67.6 | Low | 66.6 | Low | 194 Ų | 194 | 62.2 Ų | 62.2 | 73% | 0.732 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.8 | -45.7 | 174.8 | -166.9 | -178 | -147.8 | 178.3 | 7.4 | 112.6 | E280 K281 A282 L286 G287 I288 | E280-R284 PolarHBondContact O-N 3.35Å; E280-R284 VanDerWaalsContact O-N 3.1Å; K281-R284 PolarHBondContact O-N 3.09Å; A282-R284 VanDerWaalsContact C-N 3.31Å; A282-R284 PolarHBondContact O-N 3.47Å; R284-L286 VanDerWaalsContact C-N 3.28Å; R284-L286 PolarHBondContact O-N 2.8Å; R284-G287 PolarHBondContact O-N 3.32Å; R284-I288 WeakPolarHBondContact O-CG1 3.43Å; R284-I288 PolarHBondContact O-N 3.29Å |
| 285 | T | 66.4 | Low | 68.5 | Low | 20 Ų | 20 | 62.5 Ų | 62.5 | 12% | 0.123 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -56.9 | -45.2 | 177 | -56.2 | 0 | 0 | 0 | 0 | 111.6 | K281 A282 I288 V289 I337 F341 | K281-T285 PolarHBondContact O-N 3.07Å; K281-T285 PolarHBondContact O-OG1 3.49Å; K281-T285 VanDerWaalsContact O-OG1 3.08Å; A282-T285 WeakPolarHBondContact O-CB 3.27Å; A282-T285 PolarHBondContact O-N 2.85Å; T285-I288 WeakPolarHBondContact O-CB 3.35Å; T285-I288 PolarHBondContact O-N 3.35Å; T285-V289 WeakPolarHBondContact O-CG2 3.41Å; T285-V289 PolarHBondContact O-N 3.48Å; T285-I337 HydrophobicContact CG2-CG2 4.47Å; T285-F341 HydrophobicContact CG2-CB 3.23Å; T285-F341 HydrophobicContact CG2-CG 4Å; T285-F341 WeakPolarHBondContact OG1-CB 3.17Å |
| 286 | L | 67.8 | Low | 70.3 | Confident | 25 Ų | 25 | 54.3 Ų | 54.3 | 13% | 0.131 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.8 | -42.9 | -179.7 | -75.9 | 170.1 | 0 | 0 | 0 | 111.9 | I126 R130 Y210 A282 A283 R284 I288 V289 V290 | I126-L286 HydrophobicContact CG2-CD2 4.15Å; R130-L286 HydrophobicContact CB-CD1 3.59Å; R130-L286 HydrophobicContact CG-CD1 3.33Å; R130-L286 HydrophobicContact CG-CD2 3.8Å; R130-L286 HydrophobicContact CG-CG 4.2Å; Y210-L286 HydrophobicContact CE1-CB 3.57Å; Y210-L286 WeakPolarHBondContact OH-CA 3.45Å; Y210-L286 WeakPolarHBondContact OH-CB 3.16Å; Y210-L286 PolarHBondContact OH-O 3.34Å; A282-L286 WeakPolarHBondContact O-CB 2.98Å; A282-L286 WeakPolarHBondContact O-CD1 3.39Å; A282-L286 VanDerWaalsContact O-CG 3.24Å; A282-L286 WeakPolarHBondContact O-CG 3.35Å; A282-L286 PolarHBondContact O-N 3.27Å; A282-L286 VanDerWaalsContact O-N 3.16Å; A283-L286 PolarHBondContact O-N 3.02Å; R284-L286 VanDerWaalsContact C-N 3.28Å; R284-L286 PolarHBondContact O-N 2.8Å; L286-I288 VanDerWaalsContact C-N 3.25Å; L286-I288 PolarHBondContact O-N 2.93Å; L286-V289 PolarHBondContact O-N 3.42Å; L286-V290 PolarHBondContact O-N 2.91Å |
| 287 | G | 73 | Confident | 72.2 | Confident | 35 Ų | 35 | 50.7 Ų | 50.7 | 36% | 0.361 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -60.9 | -34.1 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | A283 R284 G291 | A283-G287 PolarHBondContact O-N 2.64Å; A283-G287 VanDerWaalsContact O-N 3.09Å; R284-G287 PolarHBondContact O-N 3.32Å; G287-G291 PolarHBondContact O-N 3.16Å |
| 288 | I | 77.2 | Confident | 74.3 | Confident | 59 Ų | 59 | 50 Ų | 50 | 30% | 0.303 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -70 | -44.9 | 175.1 | -64.9 | 167.9 | 0 | 0 | 0 | 110.9 | R284 T285 L286 V290 G291 C292 F341 | R284-I288 WeakPolarHBondContact O-CG1 3.43Å; R284-I288 PolarHBondContact O-N 3.29Å; T285-I288 WeakPolarHBondContact O-CB 3.35Å; T285-I288 PolarHBondContact O-N 3.35Å; L286-I288 VanDerWaalsContact C-N 3.25Å; L286-I288 PolarHBondContact O-N 2.93Å; I288-V290 VanDerWaalsContact C-N 3.29Å; I288-V290 PolarHBondContact O-N 3.36Å; I288-G291 PolarHBondContact O-N 3.19Å; I288-C292 PolarHBondContact O-N 2.78Å; I288-C292 PolarHBondContact O-SG 3.38Å; I288-C292 VanDerWaalsContact O-SG 3.41Å; I288-F341 HydrophobicContact CD1-CD1 4.1Å; I288-F341 HydrophobicContact CD1-CE1 3.34Å; I288-F341 HydrophobicContact CD1-CE2 4.35Å; I288-F341 HydrophobicContact CD1-CZ 3.49Å; I288-F341 VanDerWaalsContact CD1-CZ 3.49Å; I288-F341 HydrophobicContact CG2-CE2 4.28Å; I288-F341 HydrophobicContact CG2-CZ 4.29Å |
| 289 | V | 77.6 | Confident | 76.3 | Confident | 9 Ų | 9 | 49.7 Ų | 49.7 | 6% | 0.055 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -54.3 | -47.8 | 175.5 | 176.2 | 0 | 0 | 0 | 0 | 110.7 | L123 T285 L286 C292 F293 I337 | L123-V289 HydrophobicContact CD2-CG1 3.71Å; T285-V289 WeakPolarHBondContact O-CG2 3.41Å; T285-V289 PolarHBondContact O-N 3.48Å; L286-V289 PolarHBondContact O-N 3.42Å; V289-C292 PolarHBondContact O-N 2.89Å; V289-F293 WeakPolarHBondContact O-CB 3.5Å; V289-F293 PolarHBondContact O-N 3.39Å; V289-I337 HydrophobicContact CG2-CB 4.41Å; V289-I337 HydrophobicContact CG2-CD1 4.14Å; V289-I337 HydrophobicContact CG2-CG2 3.42Å; V289-I337 VanDerWaalsContact CG2-CG2 3.42Å |
| 290 | V | 80.4 | Confident | 77.9 | Confident | 9 Ų | 9 | 47.9 Ų | 47.9 | 6% | 0.055 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -69.2 | -38.9 | 179.6 | 168.6 | 0 | 0 | 0 | 0 | 112.9 | I206 Y210 L286 I288 F293 I294 | I206-V290 HydrophobicContact CG2-CB 4.21Å; I206-V290 HydrophobicContact CG2-CG1 3.55Å; I206-V290 HydrophobicContact CG2-CG2 3.54Å; Y210-V290 HydrophobicContact CD2-CG2 4Å; Y210-V290 HydrophobicContact CE1-CG2 4.44Å; Y210-V290 HydrophobicContact CE2-CB 4.11Å; Y210-V290 HydrophobicContact CE2-CG1 4.49Å; Y210-V290 HydrophobicContact CE2-CG2 3.22Å; Y210-V290 VanDerWaalsContact CZ-CG2 3.44Å; Y210-V290 WeakPolarHBondContact OH-CG2 3.21Å; L286-V290 PolarHBondContact O-N 2.91Å; I288-V290 VanDerWaalsContact C-N 3.29Å; I288-V290 PolarHBondContact O-N 3.36Å; V290-F293 PolarHBondContact O-N 2.9Å; V290-I294 HydrophobicContact CG1-CD1 3.76Å; V290-I294 HydrophobicContact CG1-CG1 4.36Å; V290-I294 VanDerWaalsContact O-CG1 3.28Å; V290-I294 WeakPolarHBondContact O-CG1 3.36Å; V290-I294 PolarHBondContact O-N 3.41Å |
| 291 | G | 84.4 | Confident | 79.5 | Confident | 28 Ų | 28 | 42.5 Ų | 42.5 | 29% | 0.289 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -58.9 | -49.1 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | G287 I288 F293 I294 L295 | G287-G291 PolarHBondContact O-N 3.16Å; I288-G291 PolarHBondContact O-N 3.19Å; G291-F293 VanDerWaalsContact C-N 3.33Å; G291-F293 PolarHBondContact O-N 2.9Å; G291-I294 PolarHBondContact O-N 2.85Å; G291-L295 WeakPolarHBondContact O-CB 3.25Å; G291-L295 VanDerWaalsContact O-CG 3.25Å; G291-L295 WeakPolarHBondContact O-CG 3.26Å; G291-L295 PolarHBondContact O-N 2.9Å |
| 292 | C | 86.5 | Confident | 80.9 | Confident | 37 Ų | 37 | 41.3 Ų | 41.3 | 25% | 0.25 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.1 | -44.2 | 175.8 | -71 | 0 | 0 | 0 | 0 | 111.7 | I288 V289 I294 L295 C296 I333 I337 | I288-C292 PolarHBondContact O-N 2.78Å; I288-C292 PolarHBondContact O-SG 3.38Å; I288-C292 VanDerWaalsContact O-SG 3.41Å; V289-C292 PolarHBondContact O-N 2.89Å; C292-I294 PolarHBondContact O-N 2.79Å; C292-L295 PolarHBondContact O-N 2.83Å; C292-C296 PolarHBondContact O-N 3.47Å; C292-C296 PolarHBondContact O-SG 2.86Å; C292-I333 HydrophobicContact CB-CG2 4.16Å; C292-I337 HydrophobicContact CB-CD1 4.19Å |
| 293 | F | 85.4 | Confident | 82.4 | Confident | 4 Ų | 4 | 40.4 Ų | 40.4 | 2% | 0.018 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.9 | -50.1 | 177.2 | 178.1 | -93.2 | 0 | 0 | 0 | 112.3 | I120 L123 F199 V289 V290 G291 L295 C296 W297 N330 | I120-F293 HydrophobicContact CB-CE1 4.45Å; I120-F293 HydrophobicContact CB-CE2 3.97Å; I120-F293 HydrophobicContact CB-CZ 3.61Å; I120-F293 HydrophobicContact CD1-CE1 3.48Å; I120-F293 VanDerWaalsContact CD1-CE1 3.48Å; I120-F293 HydrophobicContact CD1-CE2 4.44Å; I120-F293 HydrophobicContact CD1-CZ 3.31Å; I120-F293 HydrophobicContact CG1-CE1 3.64Å; I120-F293 HydrophobicContact CG1-CE2 4.02Å; I120-F293 HydrophobicContact CG1-CZ 3.28Å; L123-F293 HydrophobicContact CD1-CB 4.07Å; L123-F293 HydrophobicContact CD1-CD1 4.47Å; L123-F293 HydrophobicContact CD1-CD2 3.26Å; L123-F293 HydrophobicContact CD1-CE2 3.85Å; L123-F293 HydrophobicContact CD1-CG 3.65Å; F199-F293 HydrophobicContact CD2-CE1 4.09Å; F199-F293 HydrophobicContact CD2-CZ 4.26Å; F199-F293 AromaticContact CE2-CE1 3.74Å; F199-F293 HydrophobicContact CE2-CE1 3.74Å; F199-F293 HydrophobicContact CE2-CZ 4.24Å; V289-F293 WeakPolarHBondContact O-CB 3.5Å; V289-F293 PolarHBondContact O-N 3.39Å; V290-F293 PolarHBondContact O-N 2.9Å; G291-F293 VanDerWaalsContact C-N 3.33Å; G291-F293 PolarHBondContact O-N 2.9Å; F293-L295 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 3.36Å; F293-C296 PolarHBondContact O-N 2.88Å; F293-W297 AromaticContact CD2-CD1 3.56Å; F293-W297 HydrophobicContact CE1-CB 4.34Å; F293-W297 HydrophobicContact CE2-CB 4.49Å; F293-W297 AromaticContact CE2-CD1 3.16Å; F293-W297 AromaticContact CE2-CG 3.9Å; F293-W297 HydrophobicContact CE2-CG 3.9Å; F293-W297 AromaticContact CE2-NE1 3.59Å; F293-W297 HydrophobicContact CZ-CB 4.07Å; F293-W297 AromaticContact CZ-CD1 3.58Å; F293-W297 AromaticContact CZ-CG 3.87Å; F293-W297 HydrophobicContact CZ-CG 3.87Å; F293-W297 PolarHBondContact O-N 3.48Å; F293-N330 WeakPolarHBondContact CA-OD1 3.1Å |
| 294 | I | 87.8 | Confident | 83.6 | Confident | 38 Ų | 38 | 39.7 Ų | 39.7 | 20% | 0.195 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -61 | -45.4 | 179.5 | -67.6 | 167.5 | 0 | 0 | 0 | 110.4 | L203 L207 V290 G291 C292 C296 W297 L298 | L203-I294 HydrophobicContact CD1-CD1 3.7Å; L203-I294 HydrophobicContact CD1-CG1 3.54Å; L207-I294 HydrophobicContact CD2-CD1 3.95Å; V290-I294 HydrophobicContact CG1-CD1 3.76Å; V290-I294 HydrophobicContact CG1-CG1 4.36Å; V290-I294 VanDerWaalsContact O-CG1 3.28Å; V290-I294 WeakPolarHBondContact O-CG1 3.36Å; V290-I294 PolarHBondContact O-N 3.41Å; G291-I294 PolarHBondContact O-N 2.85Å; C292-I294 PolarHBondContact O-N 2.79Å; I294-C296 PolarHBondContact O-N 2.96Å; I294-W297 PolarHBondContact O-N 2.66Å; I294-L298 HydrophobicContact CG2-CB 4.14Å; I294-L298 HydrophobicContact CG2-CD2 4.06Å; I294-L298 WeakPolarHBondContact O-CB 3.29Å; I294-L298 PolarHBondContact O-N 2.84Å |
| 295 | L | 89.9 | Confident | 84.5 | Confident | 126 Ų | 126 | 31 Ų | 31 | 66% | 0.66 | 18% | 0.184 | S | C | * | . | H | α-helix | trans | -62.4 | -33.6 | 179.6 | -70.6 | 171.6 | 0 | 0 | 0 | 112.6 | G291 C292 F293 P299 | G291-L295 WeakPolarHBondContact O-CB 3.25Å; G291-L295 VanDerWaalsContact O-CG 3.25Å; G291-L295 WeakPolarHBondContact O-CG 3.26Å; G291-L295 PolarHBondContact O-N 2.9Å; C292-L295 PolarHBondContact O-N 2.83Å; F293-L295 VanDerWaalsContact C-N 3.34Å; F293-L295 PolarHBondContact O-N 3.36Å; L295-P299 WeakPolarHBondContact O-CD 3.33Å |
| 296 | C | 90.4 | Very high | 85.4 | Confident | 6 Ų | 6 | 33.5 Ų | 33.5 | 4% | 0.041 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -77.2 | -42.9 | 179.2 | -64.7 | 0 | 0 | 0 | 0 | 112.5 | C292 F293 I294 L326 G327 N330 I333 | C292-C296 PolarHBondContact O-N 3.47Å; C292-C296 PolarHBondContact O-SG 2.86Å; F293-C296 PolarHBondContact O-N 2.88Å; I294-C296 PolarHBondContact O-N 2.96Å; C296-L326 WeakPolarHBondContact CB-O 3.47Å; C296-L326 CarbonylContact O-C 3.4Å; C296-G327 PolarHBondContact O-N 3.28Å; C296-N330 HydrophobicContact CB-CB 3.9Å; C296-I333 VanDerWaalsContact SG-CD1 3.6Å |
| 297 | W | 90.3 | Very high | 86.2 | Confident | 11 Ų | 11 | 32.7 Ų | 32.7 | 4% | 0.042 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -99.9 | -30.2 | -167.9 | -79.1 | 102.1 | 0 | 0 | 0 | 115.1 | C116 F199 F293 I294 P299 F300 F301 G327 N330 | C116-W297 HydrophobicContact CB-CH2 3.84Å; C116-W297 HydrophobicContact CB-CZ2 4.16Å; C116-W297 WeakPolarHBondContact SG-CH2 3.26Å; F199-W297 HydrophobicContact CD2-CB 4.11Å; F199-W297 HydrophobicContact CE2-CB 3.56Å; F199-W297 HydrophobicContact CZ-CB 4.41Å; F293-W297 AromaticContact CD2-CD1 3.56Å; F293-W297 HydrophobicContact CE1-CB 4.34Å; F293-W297 HydrophobicContact CE2-CB 4.49Å; F293-W297 AromaticContact CE2-CD1 3.16Å; F293-W297 AromaticContact CE2-CG 3.9Å; F293-W297 HydrophobicContact CE2-CG 3.9Å; F293-W297 AromaticContact CE2-NE1 3.59Å; F293-W297 HydrophobicContact CZ-CB 4.07Å; F293-W297 AromaticContact CZ-CD1 3.58Å; F293-W297 AromaticContact CZ-CG 3.87Å; F293-W297 HydrophobicContact CZ-CG 3.87Å; F293-W297 PolarHBondContact O-N 3.48Å; I294-W297 PolarHBondContact O-N 2.66Å; W297-P299 VanDerWaalsContact C-CD 3.45Å; W297-F300 HydrophobicContact CE3-CD1 4.24Å; W297-F300 HydrophobicContact CZ3-CD1 4.08Å; W297-F300 PolarHBondContact O-N 3.22Å; W297-F301 HydrophobicContact CB-CD2 4.11Å; W297-F301 HydrophobicContact CB-CE2 4.23Å; W297-F301 HydrophobicContact CD2-CE2 4.04Å; W297-F301 AromaticContact CE3-CD2 3.95Å; W297-F301 HydrophobicContact CE3-CD2 3.95Å; W297-F301 AromaticContact CE3-CE2 3.33Å; W297-F301 HydrophobicContact CE3-CE2 3.33Å; W297-F301 HydrophobicContact CE3-CZ 4.17Å; W297-F301 HydrophobicContact CG-CE2 4.44Å; W297-F301 HydrophobicContact CZ3-CE2 4Å; W297-F301 HydrophobicContact CZ3-CZ 4.43Å; W297-F301 WeakPolarHBondContact O-CD2 3.22Å; W297-F301 PolarHBondContact O-N 2.9Å; W297-F301 VanDerWaalsContact O-N 3.13Å; W297-G327 WeakPolarHBondContact CZ2-O 3.48Å; W297-G327 PolarHBondContact NE1-O 3.14Å; W297-N330 PolarHBondContact NE1-ND2 3.41Å |
| 298 | L | 91.1 | Very high | 86.6 | Confident | 60 Ų | 60 | 31.7 Ų | 31.7 | 31% | 0.314 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -55.6 | -43.1 | -178.3 | -178 | 65.3 | 0 | 0 | 0 | 113 | F199 I294 F300 F301 L302 | F199-L298 HydrophobicContact CE1-CD1 3.75Å; F199-L298 HydrophobicContact CZ-CB 3.99Å; F199-L298 HydrophobicContact CZ-CD1 3.96Å; I294-L298 HydrophobicContact CG2-CB 4.14Å; I294-L298 HydrophobicContact CG2-CD2 4.06Å; I294-L298 WeakPolarHBondContact O-CB 3.29Å; I294-L298 PolarHBondContact O-N 2.84Å; L298-F300 VanDerWaalsContact C-N 3.31Å; L298-F300 PolarHBondContact O-N 3.45Å; L298-F301 PolarHBondContact O-N 3.13Å; L298-L302 HydrophobicContact CD1-CD1 4.21Å; L298-L302 HydrophobicContact CD1-CG 4.12Å; L298-L302 HydrophobicContact CG-CD1 3.98Å; L298-L302 HydrophobicContact CG-CG 4.33Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.43Å; L298-L302 PolarHBondContact O-N 3.08Å |
| 299 | P | 92.9 | Very high | 87 | Confident | 40 Ų | 40 | 32.5 Ų | 32.5 | 26% | 0.26 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -59.4 | -40.7 | 179.8 | -26.2 | 37.8 | 0 | 0 | 0 | 113 | L295 W297 L302 V303 T323 L326 | L295-P299 WeakPolarHBondContact O-CD 3.33Å; W297-P299 VanDerWaalsContact C-CD 3.45Å; P299-L302 PolarHBondContact O-N 3.25Å; P299-V303 VanDerWaalsContact O-CG2 3.32Å; P299-V303 WeakPolarHBondContact O-CG2 3.46Å; P299-V303 PolarHBondContact O-N 2.9Å; P299-V303 VanDerWaalsContact O-N 3.09Å; P299-T323 HydrophobicContact CB-CG2 3.52Å; P299-L326 HydrophobicContact CB-CD2 4.42Å; P299-L326 HydrophobicContact CG-CD2 3.92Å |
| 300 | F | 90.2 | Very high | 87.4 | Confident | 10 Ų | 10 | 37.9 Ų | 37.9 | 4% | 0.044 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -68 | -47.1 | 179.2 | 177.9 | -105.5 | 0 | 0 | 0 | 111.8 | W297 L298 L302 V303 L304 F320 F324 | W297-F300 HydrophobicContact CE3-CD1 4.24Å; W297-F300 HydrophobicContact CZ3-CD1 4.08Å; W297-F300 PolarHBondContact O-N 3.22Å; L298-F300 VanDerWaalsContact C-N 3.31Å; L298-F300 PolarHBondContact O-N 3.45Å; F300-L302 PolarHBondContact O-N 3.12Å; F300-V303 PolarHBondContact O-N 3.02Å; F300-V303 VanDerWaalsContact O-N 3.14Å; F300-L304 HydrophobicContact CE1-CD2 4.02Å; F300-L304 HydrophobicContact CE2-CB 4.49Å; F300-L304 HydrophobicContact CZ-CB 4.3Å; F300-L304 HydrophobicContact CZ-CD2 4.03Å; F300-L304 WeakPolarHBondContact O-CB 3.34Å; F300-L304 PolarHBondContact O-N 3.45Å; F300-F320 HydrophobicContact CE2-CE1 4.24Å; F300-F320 AromaticContact CE2-CE2 3.83Å; F300-F320 HydrophobicContact CE2-CE2 3.83Å; F300-F320 AromaticContact CE2-CZ 3.66Å; F300-F320 HydrophobicContact CE2-CZ 3.66Å; F300-F320 HydrophobicContact CZ-CZ 4.27Å; F300-F324 HydrophobicContact CD2-CB 4.16Å; F300-F324 AromaticContact CD2-CD2 3.95Å; F300-F324 HydrophobicContact CD2-CD2 3.95Å; F300-F324 HydrophobicContact CE2-CB 4.25Å; F300-F324 AromaticContact CE2-CD2 3.44Å; F300-F324 HydrophobicContact CE2-CD2 3.44Å; F300-F324 VanDerWaalsContact CE2-CD2 3.44Å; F300-F324 HydrophobicContact CE2-CE2 4.24Å; F300-F324 HydrophobicContact CE2-CG 4.31Å; F300-F324 AromaticContact CZ-CD2 3.77Å; F300-F324 HydrophobicContact CZ-CD2 3.77Å; F300-F324 HydrophobicContact CZ-CE2 4.14Å |
| 301 | F | 89.4 | Confident | 87.4 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 7% | 0.07 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -71.3 | -12.8 | -179.6 | -76.8 | -71.1 | 0 | 0 | 0 | 114.2 | A195 F199 Y200 W297 L298 P305 | A195-F301 HydrophobicContact CB-CD1 3.89Å; A195-F301 HydrophobicContact CB-CE1 4.32Å; F199-F301 HydrophobicContact CB-CB 4.28Å; F199-F301 HydrophobicContact CB-CD1 3.59Å; F199-F301 HydrophobicContact CB-CD2 3.53Å; F199-F301 HydrophobicContact CB-CE1 3.68Å; F199-F301 HydrophobicContact CB-CE2 3.59Å; F199-F301 HydrophobicContact CB-CG 3.52Å; F199-F301 HydrophobicContact CB-CZ 3.68Å; F199-F301 HydrophobicContact CD1-CB 3.48Å; F199-F301 VanDerWaalsContact CD1-CB 3.48Å; F199-F301 HydrophobicContact CD1-CD1 4.4Å; F199-F301 AromaticContact CD1-CD2 3.79Å; F199-F301 HydrophobicContact CD1-CD2 3.79Å; F199-F301 AromaticContact CD1-CG 3.64Å; F199-F301 HydrophobicContact CD1-CG 3.64Å; F199-F301 HydrophobicContact CD2-CB 4.49Å; F199-F301 AromaticContact CD2-CD2 3.22Å; F199-F301 HydrophobicContact CD2-CD2 3.22Å; F199-F301 AromaticContact CD2-CE2 3.49Å; F199-F301 HydrophobicContact CD2-CE2 3.49Å; F199-F301 VanDerWaalsContact CD2-CE2 3.49Å; F199-F301 AromaticContact CD2-CG 3.95Å; F199-F301 HydrophobicContact CD2-CG 3.95Å; F199-F301 HydrophobicContact CD2-CZ 4.41Å; F199-F301 HydrophobicContact CE1-CB 3.84Å; F199-F301 HydrophobicContact CE1-CD2 4.28Å; F199-F301 HydrophobicContact CE1-CG 4.31Å; F199-F301 AromaticContact CE2-CD2 3.79Å; F199-F301 HydrophobicContact CE2-CD2 3.79Å; F199-F301 HydrophobicContact CE2-CE2 4.33Å; F199-F301 HydrophobicContact CG-CB 3.84Å; F199-F301 HydrophobicContact CG-CD1 4.05Å; F199-F301 AromaticContact CG-CD2 3.21Å; F199-F301 HydrophobicContact CG-CD2 3.21Å; F199-F301 HydrophobicContact CG-CE1 4.44Å; F199-F301 AromaticContact CG-CE2 3.67Å; F199-F301 HydrophobicContact CG-CE2 3.67Å; F199-F301 AromaticContact CG-CG 3.42Å; F199-F301 HydrophobicContact CG-CG 3.42Å; F199-F301 VanDerWaalsContact CG-CG 3.42Å; F199-F301 HydrophobicContact CG-CZ 4.28Å; F199-F301 HydrophobicContact CZ-CB 4.48Å; F199-F301 HydrophobicContact CZ-CD2 4.28Å; Y200-F301 PolarHBondContact OH-O 2.9Å; W297-F301 HydrophobicContact CB-CD2 4.11Å; W297-F301 HydrophobicContact CB-CE2 4.23Å; W297-F301 HydrophobicContact CD2-CE2 4.04Å; W297-F301 AromaticContact CE3-CD2 3.95Å; W297-F301 HydrophobicContact CE3-CD2 3.95Å; W297-F301 AromaticContact CE3-CE2 3.33Å; W297-F301 HydrophobicContact CE3-CE2 3.33Å; W297-F301 HydrophobicContact CE3-CZ 4.17Å; W297-F301 HydrophobicContact CG-CE2 4.44Å; W297-F301 HydrophobicContact CZ3-CE2 4Å; W297-F301 HydrophobicContact CZ3-CZ 4.43Å; W297-F301 WeakPolarHBondContact O-CD2 3.22Å; W297-F301 PolarHBondContact O-N 2.9Å; W297-F301 VanDerWaalsContact O-N 3.13Å; L298-F301 PolarHBondContact O-N 3.13Å; F301-P305 WeakPolarHBondContact O-CD 3.37Å; F301-P305 VanDerWaalsContact O-CG 3.26Å; F301-P305 WeakPolarHBondContact O-CG 3.34Å |
| 302 | L | 89.6 | Confident | 87.3 | Confident | 78 Ų | 78 | 46.8 Ų | 46.8 | 41% | 0.408 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -81.4 | -49.6 | 164.7 | -69.8 | 173.1 | 0 | 0 | 0 | 111.1 | L298 P299 F300 L304 I306 | L298-L302 HydrophobicContact CD1-CD1 4.21Å; L298-L302 HydrophobicContact CD1-CG 4.12Å; L298-L302 HydrophobicContact CG-CD1 3.98Å; L298-L302 HydrophobicContact CG-CG 4.33Å; L298-L302 VanDerWaalsContact O-CG 3.3Å; L298-L302 WeakPolarHBondContact O-CG 3.43Å; L298-L302 PolarHBondContact O-N 3.08Å; P299-L302 PolarHBondContact O-N 3.25Å; F300-L302 PolarHBondContact O-N 3.12Å; L302-L304 PolarHBondContact O-N 3.5Å; L302-I306 HydrophobicContact CB-CD1 4.46Å; L302-I306 VanDerWaalsContact O-CB 3.31Å; L302-I306 WeakPolarHBondContact O-CB 3.47Å; L302-I306 VanDerWaalsContact O-CD1 3.23Å; L302-I306 WeakPolarHBondContact O-CD1 3.32Å; L302-I306 WeakPolarHBondContact O-CG1 3.39Å; L302-I306 PolarHBondContact O-N 3.19Å |
| 303 | V | 89.7 | Confident | 87.1 | Confident | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.115 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -63.9 | -42.2 | -175.5 | 165.2 | 0 | 0 | 0 | 0 | 112.5 | P299 F300 G307 P315 I319 F320 T323 | P299-V303 VanDerWaalsContact O-CG2 3.32Å; P299-V303 WeakPolarHBondContact O-CG2 3.46Å; P299-V303 PolarHBondContact O-N 2.9Å; P299-V303 VanDerWaalsContact O-N 3.09Å; F300-V303 PolarHBondContact O-N 3.02Å; F300-V303 VanDerWaalsContact O-N 3.14Å; V303-G307 PolarHBondContact O-N 3.25Å; V303-P315 HydrophobicContact CG1-CB 4.22Å; V303-P315 HydrophobicContact CG1-CG 4.01Å; V303-P315 HydrophobicContact CG2-CG 4.38Å; V303-I319 HydrophobicContact CG2-CG2 4.14Å; V303-F320 HydrophobicContact CG1-CB 4.45Å; V303-F320 HydrophobicContact CG1-CD2 3.92Å; V303-T323 HydrophobicContact CG2-CG2 4.24Å |
| 304 | L | 87.7 | Confident | 87 | Confident | 9 Ų | 9 | 54.1 Ų | 54.1 | 5% | 0.047 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -63.4 | -55.6 | -175 | 174.1 | 75.8 | 0 | 0 | 0 | 112.6 | A191 F300 L302 I306 G307 S308 F320 | A191-L304 HydrophobicContact CB-CG 4.47Å; F300-L304 HydrophobicContact CE1-CD2 4.02Å; F300-L304 HydrophobicContact CE2-CB 4.49Å; F300-L304 HydrophobicContact CZ-CB 4.3Å; F300-L304 HydrophobicContact CZ-CD2 4.03Å; F300-L304 WeakPolarHBondContact O-CB 3.34Å; F300-L304 PolarHBondContact O-N 3.45Å; L302-L304 PolarHBondContact O-N 3.5Å; L304-I306 PolarHBondContact O-N 3.09Å; L304-G307 PolarHBondContact O-N 2.92Å; L304-S308 VanDerWaalsContact O-CB 3.28Å; L304-S308 WeakPolarHBondContact O-CB 3.02Å; L304-S308 PolarHBondContact O-N 3.33Å; L304-S308 VanDerWaalsContact O-N 3.14Å; L304-F320 HydrophobicContact CD1-CE2 3.96Å; L304-F320 HydrophobicContact CD1-CZ 4.38Å |
| 305 | P | 86.1 | Confident | 86.8 | Confident | 12 Ų | 12 | 53.7 Ų | 53.7 | 8% | 0.078 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -67 | -35.4 | 177.6 | -20.8 | 34.6 | 0 | 0 | 0 | 113 | A195 F301 S308 I309 | A195-P305 HydrophobicContact CB-CG 4Å; F301-P305 WeakPolarHBondContact O-CD 3.37Å; F301-P305 VanDerWaalsContact O-CG 3.26Å; F301-P305 WeakPolarHBondContact O-CG 3.34Å; P305-S308 PolarHBondContact O-N 2.77Å; P305-I309 HydrophobicContact CB-CD1 4.29Å; P305-I309 WeakPolarHBondContact O-CB 3.48Å; P305-I309 VanDerWaalsContact O-CG1 3.28Å; P305-I309 WeakPolarHBondContact O-CG1 3.39Å; P305-I309 PolarHBondContact O-N 2.83Å |
| 306 | I | 86.4 | Confident | 86.7 | Confident | 72 Ų | 72 | 51.6 Ų | 51.6 | 37% | 0.369 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -62.5 | -48.6 | 177.8 | -70.3 | 170.3 | 0 | 0 | 0 | 110.5 | L302 L304 S308 F310 | L302-I306 HydrophobicContact CB-CD1 4.46Å; L302-I306 VanDerWaalsContact O-CB 3.31Å; L302-I306 WeakPolarHBondContact O-CB 3.47Å; L302-I306 VanDerWaalsContact O-CD1 3.23Å; L302-I306 WeakPolarHBondContact O-CD1 3.32Å; L302-I306 WeakPolarHBondContact O-CG1 3.39Å; L302-I306 PolarHBondContact O-N 3.19Å; L304-I306 PolarHBondContact O-N 3.09Å; I306-S308 PolarHBondContact O-N 3.35Å; I306-F310 WeakPolarHBondContact O-CA 3.44Å; I306-F310 WeakPolarHBondContact O-CB 3.17Å; I306-F310 PolarHBondContact O-N 2.66Å |
| 307 | G | 83.2 | Confident | 86.4 | Confident | 9 Ų | 9 | 56.2 Ų | 56.2 | 9% | 0.093 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -67 | -24.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | V303 L304 | V303-G307 PolarHBondContact O-N 3.25Å; L304-G307 PolarHBondContact O-N 2.92Å |
| 308 | S | 83.3 | Confident | 86.2 | Confident | 14 Ų | 14 | 60.3 Ų | 60.3 | 10% | 0.098 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -84.1 | -44.1 | 178.8 | 177.6 | 0 | 0 | 0 | 0 | 113.1 | Q186 P188 L304 P305 I306 | Q186-S308 VanDerWaalsContact O-CB 3.3Å; Q186-S308 WeakPolarHBondContact O-CB 3.3Å; Q186-S308 PolarHBondContact O-OG 2.82Å; P188-S308 WeakPolarHBondContact CA-OG 2.97Å; P188-S308 WeakPolarHBondContact CB-OG 3.26Å; L304-S308 VanDerWaalsContact O-CB 3.28Å; L304-S308 WeakPolarHBondContact O-CB 3.02Å; L304-S308 PolarHBondContact O-N 3.33Å; L304-S308 VanDerWaalsContact O-N 3.14Å; P305-S308 PolarHBondContact O-N 2.77Å; I306-S308 PolarHBondContact O-N 3.35Å |
| 309 | I | 85.2 | Confident | 86.1 | Confident | 76 Ų | 76 | 61.1 Ų | 61.1 | 39% | 0.39 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -83.1 | -34.6 | -177.3 | -62.1 | 167.2 | 0 | 0 | 0 | 111.7 | P305 P311 | P305-I309 HydrophobicContact CB-CD1 4.29Å; P305-I309 WeakPolarHBondContact O-CB 3.48Å; P305-I309 VanDerWaalsContact O-CG1 3.28Å; P305-I309 WeakPolarHBondContact O-CG1 3.39Å; P305-I309 PolarHBondContact O-N 2.83Å; I309-P311 VanDerWaalsContact O-CD 3.31Å; I309-P311 WeakPolarHBondContact O-CD 3.42Å |
| 310 | F | 86.3 | Confident | 85.9 | Confident | 122 Ų | 122 | 61 Ų | 61 | 54% | 0.535 | 34% | 0.342 | S | S | . | . | trans | -119.5 | 81.2 | -178 | -57.9 | -76.5 | 0 | 0 | 0 | 110.9 | I306 S312 C313 K314 | I306-F310 WeakPolarHBondContact O-CA 3.44Å; I306-F310 WeakPolarHBondContact O-CB 3.17Å; I306-F310 PolarHBondContact O-N 2.66Å; F310-S312 PolarHBondContact O-N 3.05Å; F310-S312 VanDerWaalsContact O-N 3.09Å; F310-C313 HydrophobicContact CB-CB 4.18Å; F310-C313 PolarHBondContact O-N 2.91Å; F310-K314 PolarHBondContact O-N 2.89Å | ||
| 311 | P | 80.4 | Confident | 85.8 | Confident | 98 Ų | 98 | 64.1 Ų | 64.1 | 64% | 0.636 | 36% | 0.355 | S | S | * | . | G | 310 helix | trans | -54.3 | -32.5 | 179.1 | -27.1 | 34.4 | 0 | 0 | 0 | 113.8 | I309 C313 K314 | I309-P311 VanDerWaalsContact O-CD 3.31Å; I309-P311 WeakPolarHBondContact O-CD 3.42Å; P311-C313 PolarHBondContact O-N 3.02Å; P311-K314 WeakPolarHBondContact O-CB 3.02Å; P311-K314 PolarHBondContact O-N 2.03Å |
| 312 | S | 80.8 | Confident | 85.8 | Confident | 125 Ų | 125 | 68.4 Ų | 68.4 | 87% | 0.874 | 38% | 0.378 | S | S | * | . | G | 310 helix | trans | -66.3 | -21.5 | 177.7 | -47.6 | 0 | 0 | 0 | 0 | 114.2 | F310 | F310-S312 PolarHBondContact O-N 3.05Å; F310-S312 VanDerWaalsContact O-N 3.09Å |
| 313 | C | 82.6 | Confident | 85.9 | Confident | 85 Ų | 85 | 65.2 Ų | 65.2 | 57% | 0.574 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -110.6 | 19.4 | -179.7 | -63.5 | 0 | 0 | 0 | 0 | 111.8 | F310 P311 P315 | F310-C313 HydrophobicContact CB-CB 4.18Å; F310-C313 PolarHBondContact O-N 2.91Å; P311-C313 PolarHBondContact O-N 3.02Å; C313-P315 WeakPolarHBondContact O-CD 3.28Å; C313-P315 VanDerWaalsContact O-N 3.14Å |
| 314 | K | 82.9 | Confident | 85.9 | Confident | 110 Ų | 110 | 65.1 Ų | 65.1 | 48% | 0.478 | 36% | 0.36 | S | S | . | . | P | Polyproline II helix | trans | -58.8 | 116.6 | -176.6 | -173.4 | 169.7 | -173.8 | 164.4 | 0 | 110.4 | F310 P311 | F310-K314 PolarHBondContact O-N 2.89Å; P311-K314 WeakPolarHBondContact O-CB 3.02Å; P311-K314 PolarHBondContact O-N 2.03Å |
| 315 | P | 84.7 | Confident | 86 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 20% | 0.195 | 37% | 0.365 | C | S | . | . | P | Polyproline II helix | trans | -61.8 | 149.9 | 178 | -26 | 38.3 | 0 | 0 | 0 | 111.1 | V303 C313 I319 | V303-P315 HydrophobicContact CG1-CB 4.22Å; V303-P315 HydrophobicContact CG1-CG 4.01Å; V303-P315 HydrophobicContact CG2-CG 4.38Å; C313-P315 WeakPolarHBondContact O-CD 3.28Å; C313-P315 VanDerWaalsContact O-N 3.14Å; P315-I319 HydrophobicContact CB-CB 4.31Å; P315-I319 HydrophobicContact CB-CG2 4.36Å |
| 316 | P | 87.8 | Confident | 86.3 | Confident | 82 Ų | 82 | 68.8 Ų | 68.8 | 53% | 0.532 | 38% | 0.375 | S | S | . | . | P | Polyproline II helix | trans | -53 | 147.1 | 173.8 | -25 | 32.1 | 0 | 0 | 0 | 112.3 | T318 I319 F320 | P316-T318 PolarHBondContact O-N 2.89Å; P316-T318 VanDerWaalsContact O-N 3.13Å; P316-I319 HydrophobicContact CB-CG1 4.42Å; P316-I319 HydrophobicContact CG-CD1 4.3Å; P316-I319 HydrophobicContact CG-CG1 4.44Å; P316-I319 WeakPolarHBondContact O-CB 3.39Å; P316-I319 PolarHBondContact O-N 2.99Å; P316-F320 PolarHBondContact O-N 3.15Å |
| 317 | E | 84.1 | Confident | 86.4 | Confident | 103 Ų | 103 | 65.4 Ų | 65.4 | 48% | 0.481 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -55.8 | -33.8 | 179.8 | -167.3 | -172.3 | 147.9 | 0 | 0 | 112.3 | I319 F320 K321 | E317-I319 VanDerWaalsContact C-N 3.33Å; E317-I319 PolarHBondContact O-N 3.46Å; E317-F320 WeakPolarHBondContact O-CB 3.42Å; E317-F320 PolarHBondContact O-N 3.47Å; E317-K321 WeakPolarHBondContact O-CG 3.37Å; E317-K321 PolarHBondContact O-N 3.34Å; E317-K321 WeakPolarHBondContact OE1-CE 3.02Å; E317-K321 IonicContact OE1-NZ 3.8Å; E317-K321 PolarHBondContact OE1-NZ 3.06Å |
| 318 | T | 86.9 | Confident | 86.7 | Confident | 97 Ų | 97 | 65 Ų | 65 | 60% | 0.595 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -59.9 | -40.4 | 174.4 | -46.3 | 0 | 0 | 0 | 0 | 112.5 | P316 K321 I322 | P316-T318 PolarHBondContact O-N 2.89Å; P316-T318 VanDerWaalsContact O-N 3.13Å; T318-K321 PolarHBondContact O-N 3.46Å; T318-I322 HydrophobicContact CG2-CD1 4Å; T318-I322 WeakPolarHBondContact O-CB 3.02Å; T318-I322 VanDerWaalsContact O-CG1 3.23Å; T318-I322 WeakPolarHBondContact O-CG1 3.42Å; T318-I322 PolarHBondContact O-N 3.14Å |
| 319 | I | 89.1 | Confident | 86.9 | Confident | 76 Ų | 76 | 67.7 Ų | 67.7 | 39% | 0.39 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -67.1 | -43.3 | 177.2 | -60.8 | -170.1 | 0 | 0 | 0 | 109.6 | V303 P315 P316 E317 K321 I322 T323 | V303-I319 HydrophobicContact CG2-CG2 4.14Å; P315-I319 HydrophobicContact CB-CB 4.31Å; P315-I319 HydrophobicContact CB-CG2 4.36Å; P316-I319 HydrophobicContact CB-CG1 4.42Å; P316-I319 HydrophobicContact CG-CD1 4.3Å; P316-I319 HydrophobicContact CG-CG1 4.44Å; P316-I319 WeakPolarHBondContact O-CB 3.39Å; P316-I319 PolarHBondContact O-N 2.99Å; E317-I319 VanDerWaalsContact C-N 3.33Å; E317-I319 PolarHBondContact O-N 3.46Å; I319-K321 PolarHBondContact O-N 3.43Å; I319-I322 PolarHBondContact O-N 3.16Å; I319-T323 HydrophobicContact CG2-CG2 4.26Å; I319-T323 WeakPolarHBondContact O-CG2 3.42Å; I319-T323 PolarHBondContact O-N 2.98Å; I319-T323 PolarHBondContact O-OG1 3.35Å; I319-T323 VanDerWaalsContact O-OG1 3.12Å |
| 320 | F | 88 | Confident | 86.9 | Confident | 39 Ų | 39 | 64.2 Ų | 64.2 | 17% | 0.171 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.7 | -47.2 | 176.1 | -173 | -85.4 | 0 | 0 | 0 | 111.5 | F300 V303 L304 P316 E317 T323 F324 | F300-F320 HydrophobicContact CE2-CE1 4.24Å; F300-F320 AromaticContact CE2-CE2 3.83Å; F300-F320 HydrophobicContact CE2-CE2 3.83Å; F300-F320 AromaticContact CE2-CZ 3.66Å; F300-F320 HydrophobicContact CE2-CZ 3.66Å; F300-F320 HydrophobicContact CZ-CZ 4.27Å; V303-F320 HydrophobicContact CG1-CB 4.45Å; V303-F320 HydrophobicContact CG1-CD2 3.92Å; L304-F320 HydrophobicContact CD1-CE2 3.96Å; L304-F320 HydrophobicContact CD1-CZ 4.38Å; P316-F320 PolarHBondContact O-N 3.15Å; E317-F320 WeakPolarHBondContact O-CB 3.42Å; E317-F320 PolarHBondContact O-N 3.47Å; F320-T323 PolarHBondContact O-N 3.34Å; F320-T323 PolarHBondContact O-OG1 3.3Å; F320-T323 VanDerWaalsContact O-OG1 3.08Å; F320-F324 WeakPolarHBondContact O-CB 3.41Å; F320-F324 PolarHBondContact O-N 3.25Å |
| 321 | K | 87.6 | Confident | 86.9 | Confident | 74 Ų | 74 | 58.5 Ų | 58.5 | 32% | 0.322 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -46.3 | 176.7 | -72.1 | 179.4 | 179.5 | 174.6 | 0 | 112 | E317 T318 I319 T323 F324 W325 | E317-K321 WeakPolarHBondContact O-CG 3.37Å; E317-K321 PolarHBondContact O-N 3.34Å; E317-K321 WeakPolarHBondContact OE1-CE 3.02Å; E317-K321 IonicContact OE1-NZ 3.8Å; E317-K321 PolarHBondContact OE1-NZ 3.06Å; T318-K321 PolarHBondContact O-N 3.46Å; I319-K321 PolarHBondContact O-N 3.43Å; K321-T323 PolarHBondContact O-N 3.3Å; K321-F324 PolarHBondContact O-N 3.14Å; K321-W325 WeakPolarHBondContact O-CB 3.37Å; K321-W325 PolarHBondContact O-N 3.14Å |
| 322 | I | 89.7 | Confident | 87 | Confident | 107 Ų | 107 | 54.1 Ų | 54.1 | 55% | 0.549 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 179.3 | -70.8 | 166.8 | 0 | 0 | 0 | 110.8 | T318 I319 F324 L326 | T318-I322 HydrophobicContact CG2-CD1 4Å; T318-I322 WeakPolarHBondContact O-CB 3.02Å; T318-I322 VanDerWaalsContact O-CG1 3.23Å; T318-I322 WeakPolarHBondContact O-CG1 3.42Å; T318-I322 PolarHBondContact O-N 3.14Å; I319-I322 PolarHBondContact O-N 3.16Å; I322-F324 VanDerWaalsContact C-N 3.33Å; I322-F324 PolarHBondContact O-N 3.37Å; I322-L326 WeakPolarHBondContact O-CB 3.44Å; I322-L326 PolarHBondContact O-N 3.06Å |
| 323 | T | 91.1 | Very high | 87.1 | Confident | 11 Ų | 11 | 50.3 Ų | 50.3 | 7% | 0.067 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -69 | -33.6 | -179.7 | 58.6 | 0 | 0 | 0 | 0 | 112.1 | P299 V303 I319 F320 K321 L326 G327 | P299-T323 HydrophobicContact CB-CG2 3.52Å; V303-T323 HydrophobicContact CG2-CG2 4.24Å; I319-T323 HydrophobicContact CG2-CG2 4.26Å; I319-T323 WeakPolarHBondContact O-CG2 3.42Å; I319-T323 PolarHBondContact O-N 2.98Å; I319-T323 PolarHBondContact O-OG1 3.35Å; I319-T323 VanDerWaalsContact O-OG1 3.12Å; F320-T323 PolarHBondContact O-N 3.34Å; F320-T323 PolarHBondContact O-OG1 3.3Å; F320-T323 VanDerWaalsContact O-OG1 3.08Å; K321-T323 PolarHBondContact O-N 3.3Å; T323-L326 PolarHBondContact O-N 2.94Å; T323-G327 PolarHBondContact O-N 3.41Å |
| 324 | F | 89.9 | Confident | 87.1 | Confident | 17 Ų | 17 | 46.3 Ų | 46.3 | 8% | 0.075 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -64.6 | -51.5 | 174.8 | -169.2 | -111.2 | 0 | 0 | 0 | 112.2 | W108 I184 F300 F320 K321 I322 L326 G327 Y328 | W108-F324 HydrophobicContact CH2-CZ 4.29Å; W108-F324 HydrophobicContact CZ2-CE1 4.38Å; W108-F324 HydrophobicContact CZ2-CZ 4.25Å; I184-F324 HydrophobicContact CD1-CD2 4.31Å; I184-F324 HydrophobicContact CD1-CE2 3.27Å; I184-F324 HydrophobicContact CD1-CZ 3.5Å; F300-F324 HydrophobicContact CD2-CB 4.16Å; F300-F324 AromaticContact CD2-CD2 3.95Å; F300-F324 HydrophobicContact CD2-CD2 3.95Å; F300-F324 HydrophobicContact CE2-CB 4.25Å; F300-F324 AromaticContact CE2-CD2 3.44Å; F300-F324 HydrophobicContact CE2-CD2 3.44Å; F300-F324 VanDerWaalsContact CE2-CD2 3.44Å; F300-F324 HydrophobicContact CE2-CE2 4.24Å; F300-F324 HydrophobicContact CE2-CG 4.31Å; F300-F324 AromaticContact CZ-CD2 3.77Å; F300-F324 HydrophobicContact CZ-CD2 3.77Å; F300-F324 HydrophobicContact CZ-CE2 4.14Å; F320-F324 WeakPolarHBondContact O-CB 3.41Å; F320-F324 PolarHBondContact O-N 3.25Å; K321-F324 PolarHBondContact O-N 3.14Å; I322-F324 VanDerWaalsContact C-N 3.33Å; I322-F324 PolarHBondContact O-N 3.37Å; F324-L326 VanDerWaalsContact C-N 3.29Å; F324-L326 PolarHBondContact O-N 3.27Å; F324-G327 WeakPolarHBondContact O-CA 3.29Å; F324-G327 PolarHBondContact O-N 3.48Å; F324-G327 VanDerWaalsContact O-N 3.07Å; F324-Y328 HydrophobicContact CD1-CD2 4.4Å; F324-Y328 AromaticContact CD1-CE2 3.81Å; F324-Y328 HydrophobicContact CD1-CE2 3.81Å; F324-Y328 HydrophobicContact CE1-CD2 4.3Å; F324-Y328 HydrophobicContact CE1-CE1 4.33Å; F324-Y328 AromaticContact CE1-CE2 3.31Å; F324-Y328 HydrophobicContact CE1-CE2 3.31Å; F324-Y328 AromaticContact CE1-CZ 3.35Å; F324-Y328 WeakPolarHBondContact CE1-OH 3.4Å; F324-Y328 HydrophobicContact CZ-CE1 4.13Å; F324-Y328 AromaticContact CZ-CE2 3.91Å; F324-Y328 HydrophobicContact CZ-CE2 3.91Å; F324-Y328 AromaticContact CZ-CZ 3.41Å; F324-Y328 VanDerWaalsContact CZ-CZ 3.41Å; F324-Y328 WeakPolarHBondContact CZ-OH 3.44Å; F324-Y328 PolarHBondContact O-N 3.48Å |
| 325 | W | 90.6 | Very high | 87.1 | Confident | 45 Ų | 45 | 41.4 Ų | 41.4 | 17% | 0.17 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -64.1 | -33.4 | 176.2 | -78.4 | 107.9 | 0 | 0 | 0 | 112.6 | L39 A90 E93 K321 G327 Y328 L329 | L39-W325 HydrophobicContact CD1-CH2 4.15Å; L39-W325 HydrophobicContact CD1-CZ2 4.22Å; L39-W325 HydrophobicContact CD2-CD2 4.29Å; L39-W325 HydrophobicContact CD2-CE3 3.79Å; L39-W325 HydrophobicContact CD2-CH2 3.55Å; L39-W325 HydrophobicContact CD2-CZ2 4.04Å; L39-W325 HydrophobicContact CD2-CZ3 3.41Å; L39-W325 VanDerWaalsContact CD2-CZ3 3.41Å; L39-W325 HydrophobicContact CG-CH2 4.46Å; A90-W325 HydrophobicContact CB-CH2 4.04Å; E93-W325 HydrophobicContact CB-CZ2 4.06Å; E93-W325 HydrophobicContact CG-CZ2 4.4Å; K321-W325 WeakPolarHBondContact O-CB 3.37Å; K321-W325 PolarHBondContact O-N 3.14Å; W325-G327 VanDerWaalsContact C-N 3.32Å; W325-G327 PolarHBondContact O-N 3.08Å; W325-Y328 HydrophobicContact CD2-CD2 4.27Å; W325-Y328 AromaticContact CE3-CD2 3.74Å; W325-Y328 HydrophobicContact CE3-CD2 3.74Å; W325-Y328 AromaticContact CZ3-CD2 3.92Å; W325-Y328 HydrophobicContact CZ3-CD2 3.92Å; W325-Y328 WeakPolarHBondContact O-CB 3.46Å; W325-Y328 PolarHBondContact O-N 3.31Å; W325-L329 PolarHBondContact O-N 3.2Å; W325-L329 VanDerWaalsContact O-N 3.11Å |
| 326 | L | 90.9 | Very high | 86.9 | Confident | 53 Ų | 53 | 44 Ų | 44 | 28% | 0.277 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -62.5 | -38.1 | 172.3 | 179 | 60.3 | 0 | 0 | 0 | 111.8 | C296 P299 I322 T323 F324 Y328 L329 | C296-L326 WeakPolarHBondContact CB-O 3.47Å; C296-L326 CarbonylContact O-C 3.4Å; P299-L326 HydrophobicContact CB-CD2 4.42Å; P299-L326 HydrophobicContact CG-CD2 3.92Å; I322-L326 WeakPolarHBondContact O-CB 3.44Å; I322-L326 PolarHBondContact O-N 3.06Å; T323-L326 PolarHBondContact O-N 2.94Å; F324-L326 VanDerWaalsContact C-N 3.29Å; F324-L326 PolarHBondContact O-N 3.27Å; L326-Y328 VanDerWaalsContact C-N 3.33Å; L326-Y328 PolarHBondContact O-N 2.6Å; L326-L329 HydrophobicContact CD1-CD1 3.93Å; L326-L329 WeakPolarHBondContact O-CB 3.23Å; L326-L329 PolarHBondContact O-N 2.69Å |
| 327 | G | 89.4 | Confident | 86.4 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.4 | -43.4 | 171.4 | 0 | 0 | 0 | 0 | 0 | 112 | C296 W297 T323 F324 W325 L329 N330 | C296-G327 PolarHBondContact O-N 3.28Å; W297-G327 WeakPolarHBondContact CZ2-O 3.48Å; W297-G327 PolarHBondContact NE1-O 3.14Å; T323-G327 PolarHBondContact O-N 3.41Å; F324-G327 WeakPolarHBondContact O-CA 3.29Å; F324-G327 PolarHBondContact O-N 3.48Å; F324-G327 VanDerWaalsContact O-N 3.07Å; W325-G327 VanDerWaalsContact C-N 3.32Å; W325-G327 PolarHBondContact O-N 3.08Å; G327-L329 VanDerWaalsContact C-N 3.32Å; G327-L329 PolarHBondContact O-N 2.87Å; G327-N330 WeakPolarHBondContact O-CB 3.4Å; G327-N330 PolarHBondContact O-N 3.47Å; G327-N330 VanDerWaalsContact O-N 3.16Å |
| 328 | Y | 89.9 | Confident | 86 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.4 | -35.3 | 176.7 | -67.6 | -22.8 | 0 | 0 | 0 | 113.8 | F42 L81 V85 L86 D112 F324 W325 L326 N330 S331 | F42-Y328 WeakPolarHBondContact CZ-O 3.42Å; L81-Y328 HydrophobicContact CD1-CD1 4.46Å; L81-Y328 HydrophobicContact CD1-CE1 3.99Å; L81-Y328 HydrophobicContact CD2-CD1 4.16Å; L81-Y328 HydrophobicContact CD2-CE1 4.48Å; V85-Y328 VanDerWaalsContact CG1-OH 3.32Å; V85-Y328 WeakPolarHBondContact CG1-OH 3.45Å; L86-Y328 HydrophobicContact CD2-CD1 3.7Å; L86-Y328 HydrophobicContact CD2-CD2 3.16Å; L86-Y328 HydrophobicContact CD2-CE1 3.97Å; L86-Y328 HydrophobicContact CD2-CE2 3.45Å; L86-Y328 VanDerWaalsContact CD2-CE2 3.45Å; L86-Y328 HydrophobicContact CD2-CG 3.26Å; D112-Y328 WeakPolarHBondContact OD1-CE1 3.49Å; D112-Y328 PolarHBondContact OD1-OH 3.01Å; F324-Y328 HydrophobicContact CD1-CD2 4.4Å; F324-Y328 AromaticContact CD1-CE2 3.81Å; F324-Y328 HydrophobicContact CD1-CE2 3.81Å; F324-Y328 HydrophobicContact CE1-CD2 4.3Å; F324-Y328 HydrophobicContact CE1-CE1 4.33Å; F324-Y328 AromaticContact CE1-CE2 3.31Å; F324-Y328 HydrophobicContact CE1-CE2 3.31Å; F324-Y328 AromaticContact CE1-CZ 3.35Å; F324-Y328 WeakPolarHBondContact CE1-OH 3.4Å; F324-Y328 HydrophobicContact CZ-CE1 4.13Å; F324-Y328 AromaticContact CZ-CE2 3.91Å; F324-Y328 HydrophobicContact CZ-CE2 3.91Å; F324-Y328 AromaticContact CZ-CZ 3.41Å; F324-Y328 VanDerWaalsContact CZ-CZ 3.41Å; F324-Y328 WeakPolarHBondContact CZ-OH 3.44Å; F324-Y328 PolarHBondContact O-N 3.48Å; W325-Y328 HydrophobicContact CD2-CD2 4.27Å; W325-Y328 AromaticContact CE3-CD2 3.74Å; W325-Y328 HydrophobicContact CE3-CD2 3.74Å; W325-Y328 AromaticContact CZ3-CD2 3.92Å; W325-Y328 HydrophobicContact CZ3-CD2 3.92Å; W325-Y328 WeakPolarHBondContact O-CB 3.46Å; W325-Y328 PolarHBondContact O-N 3.31Å; L326-Y328 VanDerWaalsContact C-N 3.33Å; L326-Y328 PolarHBondContact O-N 2.6Å; Y328-N330 PolarHBondContact O-N 3.42Å; Y328-S331 PolarHBondContact O-N 2.74Å; Y328-S331 PolarHBondContact O-OG 3.14Å |
| 329 | L | 86.5 | Confident | 85.3 | Confident | 72 Ų | 72 | 32.7 Ų | 32.7 | 38% | 0.377 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -52.3 | -29.1 | 175.4 | -66.3 | -178 | 0 | 0 | 0 | 112.7 | F42 W325 L326 G327 S331 C332 I333 | F42-L329 HydrophobicContact CD2-CD2 3.67Å; F42-L329 HydrophobicContact CE2-CB 4.39Å; F42-L329 HydrophobicContact CE2-CD2 3.14Å; F42-L329 HydrophobicContact CE2-CG 4.24Å; F42-L329 HydrophobicContact CZ-CB 4.48Å; F42-L329 HydrophobicContact CZ-CD2 3.68Å; F42-L329 HydrophobicContact CZ-CG 4.43Å; W325-L329 PolarHBondContact O-N 3.2Å; W325-L329 VanDerWaalsContact O-N 3.11Å; L326-L329 HydrophobicContact CD1-CD1 3.93Å; L326-L329 WeakPolarHBondContact O-CB 3.23Å; L326-L329 PolarHBondContact O-N 2.69Å; G327-L329 VanDerWaalsContact C-N 3.32Å; G327-L329 PolarHBondContact O-N 2.87Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.38Å; L329-C332 PolarHBondContact O-N 3.4Å; L329-C332 VanDerWaalsContact O-N 3.08Å; L329-I333 HydrophobicContact CB-CD1 4.43Å; L329-I333 WeakPolarHBondContact O-CG1 3.29Å; L329-I333 PolarHBondContact O-N 2.75Å |
| 330 | N | 86 | Confident | 84.3 | Confident | 3 Ų | 3 | 33.2 Ų | 33.2 | 2% | 0.016 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -53.7 | -43.1 | 177.1 | -174.3 | 66.5 | 0 | 0 | 0 | 113.2 | F293 C296 W297 G327 Y328 C332 I333 N334 | F293-N330 WeakPolarHBondContact CA-OD1 3.1Å; C296-N330 HydrophobicContact CB-CB 3.9Å; W297-N330 PolarHBondContact NE1-ND2 3.41Å; G327-N330 WeakPolarHBondContact O-CB 3.4Å; G327-N330 PolarHBondContact O-N 3.47Å; G327-N330 VanDerWaalsContact O-N 3.16Å; Y328-N330 PolarHBondContact O-N 3.42Å; N330-C332 PolarHBondContact O-N 3.21Å; N330-I333 PolarHBondContact O-N 3.11Å; N330-N334 PolarHBondContact O-N 3.4Å; N330-N334 PolarHBondContact O-ND2 3.03Å |
| 331 | S | 85.3 | Confident | 83.1 | Confident | 1 Ų | 1 | 35.1 Ų | 35.1 | 1% | 0.007 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.3 | -26.2 | -179.3 | 66 | 0 | 0 | 0 | 0 | 113.4 | N50 D78 Y328 L329 P335 | N50-S331 PolarHBondContact ND2-O 3.31Å; N50-S331 VanDerWaalsContact ND2-O 3.11Å; D78-S331 WeakPolarHBondContact OD1-CB 3.31Å; Y328-S331 PolarHBondContact O-N 2.74Å; Y328-S331 PolarHBondContact O-OG 3.14Å; L329-S331 VanDerWaalsContact C-N 3.29Å; L329-S331 PolarHBondContact O-N 3.38Å; S331-P335 WeakPolarHBondContact O-CD 3.11Å |
| 332 | C | 82.6 | Confident | 82.1 | Confident | 7 Ų | 7 | 32.8 Ų | 32.8 | 5% | 0.047 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -91 | -23.7 | 178 | -69.8 | 0 | 0 | 0 | 0 | 112.4 | F42 F45 G46 L329 N330 N334 | F42-C332 HydrophobicContact CD2-CB 4.2Å; F42-C332 HydrophobicContact CE2-CB 3.43Å; F42-C332 VanDerWaalsContact CE2-CB 3.43Å; F42-C332 WeakPolarHBondContact CE2-SG 3.38Å; F42-C332 HydrophobicContact CZ-CB 4.01Å; F42-C332 WeakPolarHBondContact CZ-SG 3.28Å; F45-C332 HydrophobicContact CD1-CB 3.91Å; F45-C332 WeakPolarHBondContact CE1-O 3.28Å; G46-C332 WeakPolarHBondContact CA-SG 3.47Å; L329-C332 PolarHBondContact O-N 3.4Å; L329-C332 VanDerWaalsContact O-N 3.08Å; N330-C332 PolarHBondContact O-N 3.21Å; C332-N334 VanDerWaalsContact C-N 3.32Å |
| 333 | I | 84.1 | Confident | 81 | Confident | 45 Ų | 45 | 35.8 Ų | 35.8 | 23% | 0.231 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -71.7 | -32.3 | 177.1 | -70.3 | 164.9 | 0 | 0 | 0 | 110.6 | C292 C296 L329 N330 I336 I337 | C292-I333 HydrophobicContact CB-CG2 4.16Å; C296-I333 VanDerWaalsContact SG-CD1 3.6Å; L329-I333 HydrophobicContact CB-CD1 4.43Å; L329-I333 WeakPolarHBondContact O-CG1 3.29Å; L329-I333 PolarHBondContact O-N 2.75Å; N330-I333 PolarHBondContact O-N 3.11Å; I333-I336 WeakPolarHBondContact O-CB 3.21Å; I333-I336 PolarHBondContact O-N 3.42Å; I333-I337 HydrophobicContact CG2-CD1 3.35Å; I333-I337 HydrophobicContact CG2-CG1 3.72Å; I333-I337 WeakPolarHBondContact O-CG1 3.27Å; I333-I337 PolarHBondContact O-N 2.88Å |
| 334 | N | 81.6 | Confident | 79.9 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -56.2 | -51.2 | -176.5 | -69.6 | -24.6 | 0 | 0 | 0 | 113.6 | D78 N330 C332 I336 I337 Y338 | D78-N334 PolarHBondContact OD2-ND2 2.91Å; N330-N334 PolarHBondContact O-N 3.4Å; N330-N334 PolarHBondContact O-ND2 3.03Å; C332-N334 VanDerWaalsContact C-N 3.32Å; N334-I336 PolarHBondContact O-N 3.29Å; N334-I337 PolarHBondContact O-N 2.8Å; N334-Y338 HydrophobicContact CB-CE2 4.02Å; N334-Y338 WeakPolarHBondContact O-CD2 3.25Å; N334-Y338 WeakPolarHBondContact O-CE2 3.37Å; N334-Y338 PolarHBondContact O-N 3.31Å |
| 335 | P | 82.5 | Confident | 78.9 | Confident | 6 Ų | 6 | 39 Ų | 39 | 4% | 0.039 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.2 | -20 | 174.3 | -26.1 | 35.2 | 0 | 0 | 0 | 115.7 | F45 G49 V53 S331 P339 | F45-P335 HydrophobicContact CE1-CB 4.45Å; G49-P335 VanDerWaalsContact C-CG 3.45Å; V53-P335 HydrophobicContact CG2-CB 4.15Å; V53-P335 HydrophobicContact CG2-CG 4.31Å; S331-P335 WeakPolarHBondContact O-CD 3.11Å; P335-P339 WeakPolarHBondContact O-CD 3.34Å; P335-P339 WeakPolarHBondContact O-CG 3.4Å |
| 336 | I | 81.3 | Confident | 78.1 | Confident | 84 Ų | 84 | 43.4 Ų | 43.4 | 43% | 0.431 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -83.1 | -41.7 | 175.6 | -59.8 | 170.9 | 0 | 0 | 0 | 110.2 | F45 I333 N334 Y338 P339 C340 | F45-I336 HydrophobicContact CE1-CD1 3.73Å; F45-I336 HydrophobicContact CE1-CG1 3.59Å; F45-I336 HydrophobicContact CE2-CG1 4.48Å; F45-I336 HydrophobicContact CZ-CD1 3.66Å; F45-I336 HydrophobicContact CZ-CG1 3.34Å; I333-I336 WeakPolarHBondContact O-CB 3.21Å; I333-I336 PolarHBondContact O-N 3.42Å; N334-I336 PolarHBondContact O-N 3.29Å; I336-Y338 PolarHBondContact O-N 2.99Å; I336-P339 WeakPolarHBondContact O-CD 3.49Å; I336-C340 WeakPolarHBondContact O-CB 3.32Å; I336-C340 PolarHBondContact O-N 3.34Å; I336-C340 PolarHBondContact O-SG 3.28Å |
| 337 | I | 77.8 | Confident | 77.4 | Confident | 7 Ų | 7 | 47.5 Ų | 47.5 | 4% | 0.036 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64 | -44.5 | -176.8 | -67.3 | 173.7 | 0 | 0 | 0 | 110.9 | T285 V289 C292 I333 N334 C340 F341 | T285-I337 HydrophobicContact CG2-CG2 4.47Å; V289-I337 HydrophobicContact CG2-CB 4.41Å; V289-I337 HydrophobicContact CG2-CD1 4.14Å; V289-I337 HydrophobicContact CG2-CG2 3.42Å; V289-I337 VanDerWaalsContact CG2-CG2 3.42Å; C292-I337 HydrophobicContact CB-CD1 4.19Å; I333-I337 HydrophobicContact CG2-CD1 3.35Å; I333-I337 HydrophobicContact CG2-CG1 3.72Å; I333-I337 WeakPolarHBondContact O-CG1 3.27Å; I333-I337 PolarHBondContact O-N 2.88Å; N334-I337 PolarHBondContact O-N 2.8Å; I337-C340 PolarHBondContact O-N 2.88Å; I337-F341 HydrophobicContact CG2-CD2 3.88Å; I337-F341 HydrophobicContact CG2-CE2 4.49Å; I337-F341 VanDerWaalsContact O-CD2 3.29Å; I337-F341 WeakPolarHBondContact O-CD2 3.17Å; I337-F341 PolarHBondContact O-N 3.25Å |
| 338 | Y | 75 | Confident | 76.4 | Confident | 20 Ų | 20 | 47.9 Ų | 47.9 | 8% | 0.078 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.7 | -48.7 | -173.7 | -52.8 | -51.8 | 0 | 0 | 0 | 113.7 | V53 I71 L74 N334 I336 F341 S342 | V53-Y338 HydrophobicContact CG1-CD2 4.23Å; V53-Y338 HydrophobicContact CG1-CE2 4.34Å; V53-Y338 HydrophobicContact CG2-CD2 3.95Å; V53-Y338 HydrophobicContact CG2-CE2 4.45Å; I71-Y338 HydrophobicContact CG2-CD2 4.27Å; I71-Y338 HydrophobicContact CG2-CE1 4.33Å; I71-Y338 HydrophobicContact CG2-CE2 3.93Å; L74-Y338 WeakPolarHBondContact CD2-OH 3.3Å; N334-Y338 HydrophobicContact CB-CE2 4.02Å; N334-Y338 WeakPolarHBondContact O-CD2 3.25Å; N334-Y338 WeakPolarHBondContact O-CE2 3.37Å; N334-Y338 PolarHBondContact O-N 3.31Å; I336-Y338 PolarHBondContact O-N 2.99Å; Y338-F341 PolarHBondContact O-N 2.96Å; Y338-S342 WeakPolarHBondContact O-CB 3.39Å; Y338-S342 PolarHBondContact O-N 3.21Å |
| 339 | P | 71.4 | Confident | 75.7 | Confident | 19 Ų | 19 | 49 Ų | 49 | 12% | 0.123 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -71 | -29.1 | 177.4 | -20.3 | 34.8 | 0 | 0 | 0 | 114.4 | P335 I336 F341 K346 F349 | P335-P339 WeakPolarHBondContact O-CD 3.34Å; P335-P339 WeakPolarHBondContact O-CG 3.4Å; I336-P339 WeakPolarHBondContact O-CD 3.49Å; P339-F341 VanDerWaalsContact C-N 3.26Å; P339-F341 PolarHBondContact O-N 2.69Å; P339-K346 WeakPolarHBondContact O-CB 3.48Å; P339-F349 HydrophobicContact CB-CG 4.49Å; P339-F349 HydrophobicContact CG-CD1 3.71Å; P339-F349 HydrophobicContact CG-CD2 4.1Å; P339-F349 HydrophobicContact CG-CE1 3.78Å; P339-F349 HydrophobicContact CG-CE2 4.17Å; P339-F349 HydrophobicContact CG-CG 3.88Å; P339-F349 HydrophobicContact CG-CZ 4.02Å |
| 340 | C | 68.6 | Low | 75.3 | Confident | 86 Ų | 86 | 49.7 Ų | 49.7 | 58% | 0.581 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -67.4 | -31.3 | 177.7 | -78 | 0 | 0 | 0 | 0 | 112.1 | I336 I337 | I336-C340 WeakPolarHBondContact O-CB 3.32Å; I336-C340 PolarHBondContact O-N 3.34Å; I336-C340 PolarHBondContact O-SG 3.28Å; I337-C340 PolarHBondContact O-N 2.88Å |
| 341 | F | 63.7 | Low | 74.8 | Confident | 79 Ų | 79 | 51.9 Ų | 51.9 | 35% | 0.346 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -122.4 | -14.4 | -165.8 | -68.3 | -79.3 | 0 | 0 | 0 | 115.1 | T285 I288 I337 Y338 P339 | T285-F341 HydrophobicContact CG2-CB 3.23Å; T285-F341 HydrophobicContact CG2-CG 4Å; T285-F341 WeakPolarHBondContact OG1-CB 3.17Å; I288-F341 HydrophobicContact CD1-CD1 4.1Å; I288-F341 HydrophobicContact CD1-CE1 3.34Å; I288-F341 HydrophobicContact CD1-CE2 4.35Å; I288-F341 HydrophobicContact CD1-CZ 3.49Å; I288-F341 VanDerWaalsContact CD1-CZ 3.49Å; I288-F341 HydrophobicContact CG2-CE2 4.28Å; I288-F341 HydrophobicContact CG2-CZ 4.29Å; I337-F341 HydrophobicContact CG2-CD2 3.88Å; I337-F341 HydrophobicContact CG2-CE2 4.49Å; I337-F341 VanDerWaalsContact O-CD2 3.29Å; I337-F341 WeakPolarHBondContact O-CD2 3.17Å; I337-F341 PolarHBondContact O-N 3.25Å; Y338-F341 PolarHBondContact O-N 2.96Å; P339-F341 VanDerWaalsContact C-N 3.26Å; P339-F341 PolarHBondContact O-N 2.69Å |
| 342 | S | 66.4 | Low | 74.3 | Confident | 25 Ų | 25 | 53.7 Ų | 53.7 | 18% | 0.175 | 26% | 0.257 | C | S | . | . | trans | -110.7 | 122.1 | 166.7 | 164.4 | 0 | 0 | 0 | 0 | 110.3 | Y338 E344 F345 K346 | Y338-S342 WeakPolarHBondContact O-CB 3.39Å; Y338-S342 PolarHBondContact O-N 3.21Å; S342-E344 PolarHBondContact O-N 3.45Å; S342-E344 WeakPolarHBondContact OG-CB 3.39Å; S342-E344 PolarHBondContact OG-N 3.45Å; S342-E344 PolarHBondContact OG-OE2 3.42Å; S342-F345 PolarHBondContact O-N 3.2Å; S342-F345 WeakPolarHBondContact OG-CD2 3.48Å; S342-F345 PolarHBondContact OG-N 3.05Å; S342-K346 WeakPolarHBondContact O-CB 3.3Å; S342-K346 PolarHBondContact O-N 3.11Å | ||
| 343 | R | 65.5 | Low | 74 | Confident | 170 Ų | 170 | 59.7 Ų | 59.7 | 64% | 0.642 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -66.1 | -26.5 | 177.4 | -73.4 | -177.7 | 170.1 | 178.9 | -1.5 | 111.2 | K347 | R343-K347 WeakPolarHBondContact O-CB 3.28Å; R343-K347 VanDerWaalsContact O-CG 3.28Å; R343-K347 WeakPolarHBondContact O-CG 3.27Å; R343-K347 PolarHBondContact O-N 3.29Å; R343-K347 VanDerWaalsContact O-N 3.08Å |
| 344 | E | 68.8 | Low | 73.7 | Confident | 84 Ų | 84 | 64.7 Ų | 64.7 | 39% | 0.393 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.2 | -56.6 | 177.6 | -55.1 | 71 | -157.9 | 0 | 0 | 110.1 | W63 S342 K346 K347 A348 | W63-E344 HydrophobicContact CE3-CB 4.04Å; W63-E344 HydrophobicContact CE3-CG 3.67Å; W63-E344 HydrophobicContact CH2-CB 4.23Å; W63-E344 HydrophobicContact CH2-CG 3.66Å; W63-E344 HydrophobicContact CZ3-CB 3.75Å; W63-E344 HydrophobicContact CZ3-CG 3.02Å; S342-E344 PolarHBondContact O-N 3.45Å; S342-E344 WeakPolarHBondContact OG-CB 3.39Å; S342-E344 PolarHBondContact OG-N 3.45Å; S342-E344 PolarHBondContact OG-OE2 3.42Å; E344-K346 VanDerWaalsContact C-N 3.31Å; E344-K346 PolarHBondContact O-N 3.49Å; E344-K347 PolarHBondContact O-N 3.49Å; E344-A348 PolarHBondContact O-N 3.3Å |
| 345 | F | 68.3 | Low | 73.1 | Confident | 12 Ų | 12 | 67.8 Ų | 67.8 | 5% | 0.053 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -61.5 | -39.5 | 175.2 | -81 | -75.9 | 0 | 0 | 0 | 111.9 | S56 V57 H68 I71 S342 K347 A348 F349 | S56-F345 WeakPolarHBondContact OG-CE1 3.36Å; V57-F345 HydrophobicContact CG2-CE1 4.15Å; V57-F345 HydrophobicContact CG2-CZ 4.27Å; H68-F345 AromaticContact CD2-CZ 3.89Å; I71-F345 HydrophobicContact CD1-CE2 3.93Å; I71-F345 HydrophobicContact CD1-CZ 4.05Å; I71-F345 HydrophobicContact CG2-CZ 3.95Å; S342-F345 PolarHBondContact O-N 3.2Å; S342-F345 WeakPolarHBondContact OG-CD2 3.48Å; S342-F345 PolarHBondContact OG-N 3.05Å; F345-K347 VanDerWaalsContact C-N 3.34Å; F345-K347 PolarHBondContact O-N 3.32Å; F345-A348 PolarHBondContact O-N 2.85Å; F345-F349 HydrophobicContact CD1-CE2 4.39Å; F345-F349 WeakPolarHBondContact O-CB 3.08Å; F345-F349 WeakPolarHBondContact O-CD2 3.5Å; F345-F349 PolarHBondContact O-N 2.96Å |
| 346 | K | 75.4 | Confident | 72.3 | Confident | 137 Ų | 137 | 75.2 Ų | 75.2 | 60% | 0.596 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -56.9 | -46.5 | 174.9 | -166.8 | 173.4 | 179.3 | 172.1 | 0 | 112.5 | P339 S342 E344 H350 | P339-K346 WeakPolarHBondContact O-CB 3.48Å; S342-K346 WeakPolarHBondContact O-CB 3.3Å; S342-K346 PolarHBondContact O-N 3.11Å; E344-K346 VanDerWaalsContact C-N 3.31Å; E344-K346 PolarHBondContact O-N 3.49Å; K346-H350 WeakPolarHBondContact O-CB 3.05Å; K346-H350 PolarHBondContact O-N 3.24Å |
| 347 | K | 74.4 | Confident | 71 | Confident | 140 Ų | 140 | 75.8 Ų | 75.8 | 61% | 0.609 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -67.3 | -42.9 | 178.7 | -76.5 | 174.6 | -178.9 | -178.1 | 0 | 111.4 | R343 E344 F345 H350 N351 | R343-K347 WeakPolarHBondContact O-CB 3.28Å; R343-K347 VanDerWaalsContact O-CG 3.28Å; R343-K347 WeakPolarHBondContact O-CG 3.27Å; R343-K347 PolarHBondContact O-N 3.29Å; R343-K347 VanDerWaalsContact O-N 3.08Å; E344-K347 PolarHBondContact O-N 3.49Å; F345-K347 VanDerWaalsContact C-N 3.34Å; F345-K347 PolarHBondContact O-N 3.32Å; K347-H350 PolarHBondContact O-N 2.82Å; K347-N351 WeakPolarHBondContact O-CB 3.35Å; K347-N351 PolarHBondContact O-N 3.23Å; K347-N351 PolarHBondContact O-ND2 2.92Å |
| 348 | A | 70.3 | Confident | 69.9 | Low | 7 Ų | 7 | 79.1 Ų | 79.1 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | E344 F345 H350 N351 M352 | E344-A348 PolarHBondContact O-N 3.3Å; F345-A348 PolarHBondContact O-N 2.85Å; A348-H350 PolarHBondContact O-N 2.58Å; A348-N351 PolarHBondContact O-N 2.79Å; A348-M352 WeakPolarHBondContact O-CG 3.34Å; A348-M352 PolarHBondContact O-N 3.32Å |
| 349 | F | 75.1 | Confident | 68.4 | Low | 23 Ų | 23 | 92.9 Ų | 92.9 | 10% | 0.101 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -59.3 | -45.6 | 176.9 | -89.7 | -123.8 | 0 | 0 | 0 | 111.7 | L52 V53 P339 F345 N351 M352 L353 | L52-F349 HydrophobicContact CB-CE1 3.92Å; L52-F349 HydrophobicContact CB-CE2 4.43Å; L52-F349 HydrophobicContact CB-CZ 3.78Å; L52-F349 HydrophobicContact CD1-CE1 4.21Å; V53-F349 HydrophobicContact CG2-CE2 4.34Å; V53-F349 HydrophobicContact CG2-CZ 3.82Å; P339-F349 HydrophobicContact CB-CG 4.49Å; P339-F349 HydrophobicContact CG-CD1 3.71Å; P339-F349 HydrophobicContact CG-CD2 4.1Å; P339-F349 HydrophobicContact CG-CE1 3.78Å; P339-F349 HydrophobicContact CG-CE2 4.17Å; P339-F349 HydrophobicContact CG-CG 3.88Å; P339-F349 HydrophobicContact CG-CZ 4.02Å; F345-F349 HydrophobicContact CD1-CE2 4.39Å; F345-F349 WeakPolarHBondContact O-CB 3.08Å; F345-F349 WeakPolarHBondContact O-CD2 3.5Å; F345-F349 PolarHBondContact O-N 2.96Å; F349-N351 VanDerWaalsContact C-N 3.34Å; F349-N351 PolarHBondContact O-N 2.91Å; F349-M352 PolarHBondContact O-N 2.62Å; F349-L353 WeakPolarHBondContact O-CB 3.27Å; F349-L353 WeakPolarHBondContact O-CG 3.02Å; F349-L353 PolarHBondContact O-N 3.29Å |
| 350 | H | 77.9 | Confident | 68.2 | Low | 88 Ų | 88 | 96.6 Ų | 96.6 | 41% | 0.407 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -66.2 | -35.5 | -179.7 | -160.5 | 78.8 | 0 | 0 | 0 | 113 | K346 K347 A348 R354 | K346-H350 WeakPolarHBondContact O-CB 3.05Å; K346-H350 PolarHBondContact O-N 3.24Å; K347-H350 PolarHBondContact O-N 2.82Å; A348-H350 PolarHBondContact O-N 2.58Å; H350-R354 PolarHBondContact NE2-NE 2.65Å; H350-R354 PolarHBondContact NE2-NH1 3.47Å; H350-R354 PolarHBondContact NE2-NH2 2.77Å; H350-R354 WeakPolarHBondContact O-CB 3.32Å; H350-R354 WeakPolarHBondContact O-CG 3.23Å; H350-R354 PolarHBondContact O-N 3.06Å; H350-R354 VanDerWaalsContact O-N 3.15Å |
| 351 | N | 75.3 | Confident | 68.2 | Low | 49 Ų | 49 | 97.1 Ų | 97.1 | 26% | 0.262 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -69.3 | -42.8 | 175.9 | -72.7 | -18 | 0 | 0 | 0 | 111.5 | K347 A348 F349 R354 G355 R356 V358 | K347-N351 WeakPolarHBondContact O-CB 3.35Å; K347-N351 PolarHBondContact O-N 3.23Å; K347-N351 PolarHBondContact O-ND2 2.92Å; A348-N351 PolarHBondContact O-N 2.79Å; F349-N351 VanDerWaalsContact C-N 3.34Å; F349-N351 PolarHBondContact O-N 2.91Å; N351-R354 CarbonylContact O-C 3.58Å; N351-R354 PolarHBondContact O-N 2.96Å; N351-G355 PolarHBondContact O-N 2.75Å; N351-R356 PolarHBondContact O-N 2.95Å; N351-V358 HydrophobicContact CB-CG2 4.13Å; N351-V358 WeakPolarHBondContact ND2-CG2 3.31Å |
| 352 | M | 73.9 | Confident | 68.4 | Low | 39 Ų | 39 | 98.1 Ų | 98.1 | 19% | 0.192 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -63.3 | -46.6 | 175.4 | -73.5 | -179.3 | 70.4 | 0 | 0 | 112.2 | L52 L55 L59 A348 F349 R354 G355 | L52-M352 HydrophobicContact CD2-CE 3.78Å; L55-M352 HydrophobicContact CB-CE 3.46Å; L55-M352 VanDerWaalsContact CB-CE 3.46Å; L55-M352 HydrophobicContact CB-SD 4.32Å; L55-M352 HydrophobicContact CD1-CE 3.79Å; L55-M352 HydrophobicContact CG-CE 4.29Å; L59-M352 HydrophobicContact CD1-CE 4.14Å; L59-M352 HydrophobicContact CD1-SD 4.35Å; A348-M352 WeakPolarHBondContact O-CG 3.34Å; A348-M352 PolarHBondContact O-N 3.32Å; F349-M352 PolarHBondContact O-N 2.62Å; M352-R354 PolarHBondContact O-N 3.39Å; M352-G355 PolarHBondContact O-N 3.28Å |
| 353 | L | 75.9 | Confident | 68.6 | Low | 133 Ų | 133 | 102.4 Ų | 102.4 | 70% | 0.696 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -62.5 | -27.2 | 176.8 | -74.8 | 167.1 | 0 | 0 | 0 | 112.9 | F349 G355 | F349-L353 WeakPolarHBondContact O-CB 3.27Å; F349-L353 WeakPolarHBondContact O-CG 3.02Å; F349-L353 PolarHBondContact O-N 3.29Å; L353-G355 VanDerWaalsContact C-N 3.32Å |
| 354 | R | 78.6 | Confident | 68.8 | Low | 150 Ų | 150 | 98.2 Ų | 98.2 | 57% | 0.566 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.9 | 7.5 | 175.4 | -74.3 | -177.7 | 167.8 | -174 | -1.1 | 113.8 | H350 N351 M352 R356 | H350-R354 PolarHBondContact NE2-NE 2.65Å; H350-R354 PolarHBondContact NE2-NH1 3.47Å; H350-R354 PolarHBondContact NE2-NH2 2.77Å; H350-R354 WeakPolarHBondContact O-CB 3.32Å; H350-R354 WeakPolarHBondContact O-CG 3.23Å; H350-R354 PolarHBondContact O-N 3.06Å; H350-R354 VanDerWaalsContact O-N 3.15Å; N351-R354 CarbonylContact O-C 3.58Å; N351-R354 PolarHBondContact O-N 2.96Å; M352-R354 PolarHBondContact O-N 3.39Å; R354-R356 HydrophobicContact CB-CG 4.42Å; R354-R356 PolarHBondContact O-N 2.89Å; R354-R356 VanDerWaalsContact O-N 3.1Å |
| 355 | G | 68.1 | Low | 68.8 | Low | 66 Ų | 66 | 99.1 Ų | 99.1 | 68% | 0.68 | 47% | 0.474 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 64.2 | 12.3 | -178.2 | 0 | 0 | 0 | 0 | 0 | 114.1 | N351 M352 L353 C357 | N351-G355 PolarHBondContact O-N 2.75Å; M352-G355 PolarHBondContact O-N 3.28Å; L353-G355 VanDerWaalsContact C-N 3.32Å; G355-C357 VanDerWaalsContact C-N 3.35Å; G355-C357 PolarHBondContact O-N 3.3Å |
| 356 | R | 65.8 | Low | 68.8 | Low | 162 Ų | 162 | 105.4 Ų | 105.4 | 61% | 0.611 | 50% | 0.504 | S | S | * | . | trans | -90.5 | 77.1 | 176.1 | -61 | -175.3 | -153.3 | -160.7 | 2.9 | 107.6 | N351 R354 V358 | N351-R356 PolarHBondContact O-N 2.95Å; R354-R356 HydrophobicContact CB-CG 4.42Å; R354-R356 PolarHBondContact O-N 2.89Å; R354-R356 VanDerWaalsContact O-N 3.1Å; R356-V358 PolarHBondContact O-N 2.93Å | ||
| 357 | C | 54.5 | Low | 68.3 | Low | 96 Ų | 96 | 102.9 Ų | 102.9 | 65% | 0.649 | 50% | 0.497 | S | S | * | . | trans | -56.8 | 112 | 163.5 | -88.4 | 0 | 0 | 0 | 0 | 107.4 | G355 R359 | G355-C357 VanDerWaalsContact C-N 3.35Å; G355-C357 PolarHBondContact O-N 3.3Å; C357-R359 PolarHBondContact O-N 3.09Å | ||
| 358 | V | 55.7 | Low | 67.8 | Low | 76 Ų | 76 | 99.8 Ų | 99.8 | 46% | 0.461 | 49% | 0.487 | S | S | . | . | trans | -69 | 105.9 | 177.6 | -179.4 | 0 | 0 | 0 | 0 | 106.2 | N351 R356 | N351-V358 HydrophobicContact CB-CG2 4.13Å; N351-V358 WeakPolarHBondContact ND2-CG2 3.31Å; R356-V358 PolarHBondContact O-N 2.93Å | ||
| 359 | R | 42.1 | Very low | 67.5 | Low | 309 Ų | 309 | 108.3 Ų | 108.3 | 100% | 1.166 | 53% | 0.527 | S | S | * | . | trans | -66.4 | 0 | 173 | -133.8 | 179.9 | -170 | 173.3 | 2 | 110.5 | C357 | C357-R359 PolarHBondContact O-N 3.09Š|
Retrieved 359 of 359 residues in 127.3 ms
(Link to these results)