| 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 | 44.1 | Very low | 44.1 | Very low | 238 Ų | 238 | 137 Ų | 137 | 100% | 1.172 | 86% | 0.856 | S | S | * | * | 0 | 121 | 0 | -79.3 | -171.5 | 149.2 | 0 | 0 | 107.7 | |||||
| 2 | N | 45.3 | Very low | 44.1 | Very low | 163 Ų | 163 | 139.9 Ų | 139.9 | 87% | 0.872 | 85% | 0.851 | S | S | * | * | trans | 45.8 | 107 | 166.2 | -54 | -2.4 | 0 | 0 | 0 | 116.5 | ||||
| 3 | G | 39.3 | Very low | 44.1 | Very low | 75 Ų | 75 | 140.6 Ų | 140.6 | 77% | 0.773 | 85% | 0.847 | S | S | * | * | cis | 94.1 | 83.2 | 29.8 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 4 | S | 50.3 | Low | 44.3 | Very low | 133 Ų | 133 | 143.3 Ų | 143.3 | 93% | 0.93 | 85% | 0.846 | S | S | * | * | trans | -150.3 | 106.1 | 153.6 | -87.6 | 0 | 0 | 0 | 0 | 109 | ||||
| 5 | S | 45 | Very low | 44.5 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 74% | 0.741 | 84% | 0.84 | S | S | * | * | trans | -101.4 | 163.1 | -177.6 | 53.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 6 | V | 48.4 | Very low | 44.6 | Very low | 147 Ų | 147 | 145.3 Ų | 145.3 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | 86 | 115.6 | 150.1 | -172.7 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 7 | G | 40.9 | Very low | 44.6 | Very low | 73 Ų | 73 | 142.8 Ų | 142.8 | 75% | 0.753 | 83% | 0.833 | S | S | * | * | trans | 173.5 | 34.5 | 166 | 0 | 0 | 0 | 0 | 0 | 113.5 | A9 | G7-A9 PolarHBondContact O-N 3.19Š| ||
| 8 | Q | 41.6 | Very low | 44.7 | Very low | 192 Ų | 192 | 142.2 Ų | 142.2 | 90% | 0.897 | 82% | 0.824 | S | S | * | * | trans | -72.6 | 110.3 | 160.1 | -87.7 | -176.8 | -62.5 | 0 | 0 | 107 | ||||
| 9 | A | 44.2 | Very low | 44.9 | Very low | 103 Ų | 103 | 140.7 Ų | 140.7 | 85% | 0.851 | 82% | 0.817 | S | S | * | * | trans | -93.3 | 105.2 | 163 | 0 | 0 | 0 | 0 | 0 | 107.5 | G7 | G7-A9 PolarHBondContact O-N 3.19Š| ||
| 10 | E | 43.7 | Very low | 45 | Very low | 174 Ų | 174 | 142.1 Ų | 142.1 | 81% | 0.813 | 82% | 0.815 | S | S | * | * | trans | -60.1 | 145 | 169.7 | -71.2 | 168.9 | 131.8 | 0 | 0 | 111.7 | ||||
| 11 | S | 41.9 | Very low | 45.4 | Very low | 103 Ų | 103 | 145 Ų | 145 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | 25.8 | 119.5 | 142.7 | 65.3 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 12 | Q | 44.1 | Very low | 45.4 | Very low | 172 Ų | 172 | 138.4 Ų | 138.4 | 80% | 0.804 | 79% | 0.79 | S | S | * | * | -159.2 | 100.8 | 122.7 | -109.3 | 171.5 | 5.2 | 0 | 0 | 109.1 | Q14 | Q12-Q14 PolarHBondContact O-N 3.28Š| |||
| 13 | N | 45.2 | Very low | 45.7 | Very low | 149 Ų | 149 | 140 Ų | 140 | 80% | 0.797 | 79% | 0.785 | S | S | * | * | trans | -54.2 | 106.3 | 152.4 | -74.3 | -24.9 | 0 | 0 | 0 | 106.3 | D15 | N13-D15 PolarHBondContact O-N 3.11Å; N13-D15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | Q | 46.2 | Very low | 46.3 | Very low | 178 Ų | 178 | 139.1 Ų | 139.1 | 83% | 0.832 | 78% | 0.777 | S | S | * | * | trans | -80.3 | 89 | 160.4 | -73.1 | -163.9 | -1.3 | 0 | 0 | 106 | Q12 E16 | Q12-Q14 PolarHBondContact O-N 3.28Å; Q14-E16 PolarHBondContact O-N 3.45Å | ||
| 15 | D | 47.1 | Very low | 46.3 | Very low | 141 Ų | 141 | 140 Ų | 140 | 75% | 0.754 | 77% | 0.771 | S | S | * | * | trans | -44.5 | 136.5 | 162.1 | -76.6 | -37.6 | 0 | 0 | 0 | 109.6 | N13 S17 | N13-D15 PolarHBondContact O-N 3.11Å; N13-D15 VanDerWaalsContact O-N 3.12Å; D15-S17 VanDerWaalsContact C-N 3.26Å; D15-S17 PolarHBondContact O-N 3.24Å | ||
| 16 | E | 45.9 | Very low | 46.7 | Very low | 177 Ų | 177 | 138.8 Ų | 138.8 | 83% | 0.827 | 75% | 0.754 | S | S | * | * | trans | -47.7 | 90.3 | 165.3 | -61 | 176.8 | 148.8 | 0 | 0 | 109.2 | Q14 I18 | Q14-E16 PolarHBondContact O-N 3.45Å; E16-I18 PolarHBondContact O-N 2.88Å | ||
| 17 | S | 45.4 | Very low | 47.1 | Very low | 104 Ų | 104 | 137.9 Ų | 137.9 | 73% | 0.727 | 75% | 0.748 | S | S | * | * | trans | -72 | 82.2 | 159.5 | 69.1 | 0 | 0 | 0 | 0 | 107 | D15 V19 | D15-S17 VanDerWaalsContact C-N 3.26Å; D15-S17 PolarHBondContact O-N 3.24Å; S17-V19 PolarHBondContact O-N 3.11Å | ||
| 18 | I | 46.6 | Very low | 47.8 | Very low | 132 Ų | 132 | 140.2 Ų | 140.2 | 68% | 0.677 | 75% | 0.752 | S | S | * | * | trans | -56.6 | 93.3 | 150.9 | -63.5 | 171.1 | 0 | 0 | 0 | 104 | E16 E20 | E16-I18 PolarHBondContact O-N 2.88Å; I18-E20 HydrophobicContact CG2-CG 4.28Å; I18-E20 PolarHBondContact O-N 2.84Å | ||
| 19 | V | 48.4 | Very low | 48.8 | Very low | 113 Ų | 113 | 131.8 Ų | 131.8 | 69% | 0.685 | 72% | 0.715 | S | S | * | * | trans | -62.7 | 93.1 | 160.1 | 176.3 | 0 | 0 | 0 | 0 | 104 | S17 R21 | S17-V19 PolarHBondContact O-N 3.11Å; V19-R21 HydrophobicContact CG1-CG 4.4Å; V19-R21 PolarHBondContact O-N 3.38Å | ||
| 20 | E | 46.9 | Very low | 50.4 | Low | 169 Ų | 169 | 131.1 Ų | 131.1 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | -54.1 | 89.8 | 157.4 | -77.5 | -169.1 | 151.5 | 0 | 0 | 106 | I18 S22 | I18-E20 HydrophobicContact CG2-CG 4.28Å; I18-E20 PolarHBondContact O-N 2.84Å; E20-S22 VanDerWaalsContact C-N 3.33Å; E20-S22 PolarHBondContact O-N 3.3Å | ||
| 21 | R | 52.5 | Low | 52.2 | Low | 203 Ų | 203 | 131.8 Ų | 131.8 | 77% | 0.766 | 70% | 0.7 | S | S | * | * | trans | -60.6 | 107.2 | 162.6 | -92.7 | -174 | -177.5 | -177.4 | 3 | 104.7 | V19 Y23 | V19-R21 HydrophobicContact CG1-CG 4.4Å; V19-R21 PolarHBondContact O-N 3.38Å; R21-Y23 PolarHBondContact O-N 3.14Å; R21-Y23 VanDerWaalsContact O-N 3.12Å | ||
| 22 | S | 44.3 | Very low | 54.1 | Low | 100 Ų | 100 | 129.9 Ų | 129.9 | 70% | 0.699 | 69% | 0.691 | S | S | * | * | trans | -43.7 | 122 | 175.8 | 65.9 | 0 | 0 | 0 | 0 | 109.2 | E20 G24 | E20-S22 VanDerWaalsContact C-N 3.33Å; E20-S22 PolarHBondContact O-N 3.3Å; S22-G24 PolarHBondContact O-N 2.75Å | ||
| 23 | Y | 52.3 | Low | 56 | Low | 195 Ų | 195 | 126.9 Ų | 126.9 | 77% | 0.765 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 21.8 | 179.9 | -80.5 | -91.7 | 0 | 0 | 0 | 114 | R21 | R21-Y23 PolarHBondContact O-N 3.14Å; R21-Y23 VanDerWaalsContact O-N 3.12Å |
| 24 | G | 51.3 | Low | 57.6 | Low | 58 Ų | 58 | 126.5 Ų | 126.5 | 60% | 0.598 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.1 | -17.3 | -173 | 0 | 0 | 0 | 0 | 0 | 116.1 | S22 | S22-G24 PolarHBondContact O-N 2.75Š|
| 25 | D | 50.1 | Low | 59.6 | Low | 151 Ų | 151 | 121.8 Ų | 121.8 | 81% | 0.807 | 65% | 0.651 | S | S | * | * | S | Bend | trans | -105.7 | -2.2 | -173.8 | -101.3 | -9.9 | 0 | 0 | 0 | 114.7 | V27 | D25-V27 PolarHBondContact O-N 2.98Š|
| 26 | E | 54.6 | Low | 61.5 | Low | 81 Ų | 81 | 118.8 Ų | 118.8 | 38% | 0.379 | 64% | 0.635 | S | S | . | * | G | 310 helix | trans | -74.9 | -8 | -174.5 | -64.2 | -162.9 | 155.5 | 0 | 0 | 114.3 | Q37 R41 | E26-Q37 PolarHBondContact OE1-NE2 2.9Å; E26-R41 IonicContact OE1-NH2 2.66Å |
| 27 | V | 57 | Low | 63.6 | Low | 127 Ų | 127 | 112.8 Ų | 112.8 | 77% | 0.77 | 61% | 0.607 | S | S | * | * | G | 310 helix | trans | -78.6 | -23.4 | -173.4 | -173.3 | 0 | 0 | 0 | 0 | 113 | D25 | D25-V27 PolarHBondContact O-N 2.98Š|
| 28 | C | 54.9 | Low | 65.6 | Low | 123 Ų | 123 | 110.5 Ų | 110.5 | 83% | 0.831 | 60% | 0.595 | S | S | * | * | G | 310 helix | trans | -111.3 | 13.1 | 179 | -82.3 | 0 | 0 | 0 | 0 | 114.9 | T30 | C28-T30 PolarHBondContact O-N 3.04Š|
| 29 | A | 63 | Low | 67.7 | Low | 15 Ų | 15 | 112 Ų | 112 | 12% | 0.124 | 59% | 0.592 | C | S | . | * | trans | -70.5 | 127.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | E33 R34 | A29-E33 WeakPolarHBondContact CA-OE2 3.47Å; A29-E33 HydrophobicContact CB-CB 4.26Å; A29-E33 HydrophobicContact CB-CG 4.22Å; A29-R34 HydrophobicContact CB-CG 3.98Å | ||
| 30 | T | 76.3 | Confident | 69.8 | Low | 88 Ų | 88 | 111.6 Ų | 111.6 | 54% | 0.54 | 59% | 0.585 | S | S | . | * | trans | -62.1 | 155.8 | 174.9 | 63.1 | 0 | 0 | 0 | 0 | 110.7 | C28 A32 E33 R34 | C28-T30 PolarHBondContact O-N 3.04Å; T30-A32 PolarHBondContact O-N 2.92Å; T30-A32 VanDerWaalsContact O-N 3.11Å; T30-E33 WeakPolarHBondContact O-CB 3.3Å; T30-E33 PolarHBondContact O-N 3.32Å; T30-E33 WeakPolarHBondContact OG1-CB 3.4Å; T30-E33 PolarHBondContact OG1-N 3.05Å; T30-R34 PolarHBondContact O-N 3.09Å | ||
| 31 | K | 83.2 | Confident | 71.8 | Confident | 188 Ų | 188 | 109.9 Ų | 109.9 | 82% | 0.817 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -53.9 | -34 | 176.5 | -172.8 | 178.4 | 178.9 | -178.6 | 0 | 112.2 | S35 | K31-S35 WeakPolarHBondContact O-CB 3.29Å; K31-S35 PolarHBondContact O-N 3.32Å; K31-S35 VanDerWaalsContact O-N 3.1Å |
| 32 | A | 80.7 | Confident | 73.6 | Confident | 63 Ų | 63 | 103.3 Ų | 103.3 | 52% | 0.521 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -66.9 | -40 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T30 S35 N36 | T30-A32 PolarHBondContact O-N 2.92Å; T30-A32 VanDerWaalsContact O-N 3.11Å; A32-S35 PolarHBondContact O-N 3.44Å; A32-N36 WeakPolarHBondContact O-CB 3.47Å; A32-N36 PolarHBondContact O-N 2.97Å |
| 33 | E | 83.4 | Confident | 75.7 | Confident | 109 Ų | 109 | 103.6 Ų | 103.6 | 51% | 0.509 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -68.4 | -44.6 | 178.9 | -170.3 | 165.2 | -156.4 | 0 | 0 | 112.1 | A29 T30 S35 N36 Q37 | A29-E33 WeakPolarHBondContact CA-OE2 3.47Å; A29-E33 HydrophobicContact CB-CB 4.26Å; A29-E33 HydrophobicContact CB-CG 4.22Å; T30-E33 WeakPolarHBondContact O-CB 3.3Å; T30-E33 PolarHBondContact O-N 3.32Å; T30-E33 WeakPolarHBondContact OG1-CB 3.4Å; T30-E33 PolarHBondContact OG1-N 3.05Å; E33-S35 VanDerWaalsContact C-N 3.29Å; E33-S35 PolarHBondContact O-N 3.03Å; E33-N36 PolarHBondContact O-N 3.11Å; E33-Q37 WeakPolarHBondContact O-CB 3.32Å; E33-Q37 PolarHBondContact O-N 2.78Å |
| 34 | R | 80.5 | Confident | 77.6 | Confident | 142 Ų | 142 | 99.9 Ų | 99.9 | 54% | 0.536 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.4 | -40.5 | 172.1 | -63.9 | -174.1 | -166.7 | 158.6 | 3.9 | 112 | A29 T30 Q37 A38 | A29-R34 HydrophobicContact CB-CG 3.98Å; T30-R34 PolarHBondContact O-N 3.09Å; R34-Q37 PolarHBondContact O-N 3.01Å; R34-A38 WeakPolarHBondContact O-CB 3.5Å; R34-A38 PolarHBondContact O-N 3.35Å |
| 35 | S | 87.4 | Confident | 79.5 | Confident | 78 Ų | 78 | 100 Ų | 100 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -65.6 | -40.8 | 176.2 | -173.1 | 0 | 0 | 0 | 0 | 112.3 | K31 A32 E33 R39 | K31-S35 WeakPolarHBondContact O-CB 3.29Å; K31-S35 PolarHBondContact O-N 3.32Å; K31-S35 VanDerWaalsContact O-N 3.1Å; A32-S35 PolarHBondContact O-N 3.44Å; E33-S35 VanDerWaalsContact C-N 3.29Å; E33-S35 PolarHBondContact O-N 3.03Å; S35-R39 WeakPolarHBondContact O-CB 3.4Å; S35-R39 PolarHBondContact O-N 2.84Å |
| 36 | N | 87 | Confident | 81.4 | Confident | 79 Ų | 79 | 100.7 Ų | 100.7 | 42% | 0.422 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -67.9 | -40.5 | 176.7 | -79.8 | -22.4 | 0 | 0 | 0 | 111.6 | A32 E33 R39 L40 | A32-N36 WeakPolarHBondContact O-CB 3.47Å; A32-N36 PolarHBondContact O-N 2.97Å; E33-N36 PolarHBondContact O-N 3.11Å; N36-R39 PolarHBondContact O-N 3.17Å; N36-L40 WeakPolarHBondContact O-CG 3.48Å; N36-L40 PolarHBondContact O-N 3.43Å |
| 37 | Q | 90.1 | Very high | 83.2 | Confident | 50 Ų | 50 | 100.7 Ų | 100.7 | 23% | 0.234 | 53% | 0.527 | C | S | . | . | H | α-helix | trans | -63.4 | -42.5 | 175.4 | -167.9 | -175.6 | 10.3 | 0 | 0 | 111.6 | E26 E33 R34 R39 L40 R41 | E26-Q37 PolarHBondContact OE1-NE2 2.9Å; E33-Q37 WeakPolarHBondContact O-CB 3.32Å; E33-Q37 PolarHBondContact O-N 2.78Å; R34-Q37 PolarHBondContact O-N 3.01Å; Q37-R39 VanDerWaalsContact C-N 3.34Å; Q37-R39 PolarHBondContact O-N 3.39Å; Q37-L40 PolarHBondContact O-N 2.88Å; Q37-R41 VanDerWaalsContact NE2-NH2 3.13Å; Q37-R41 WeakPolarHBondContact O-CG 3.33Å; Q37-R41 PolarHBondContact O-N 2.85Å |
| 38 | A | 87.7 | Confident | 84.8 | Confident | 57 Ų | 57 | 98.5 Ų | 98.5 | 47% | 0.471 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -62.8 | -40.5 | 174 | 0 | 0 | 0 | 0 | 0 | 112.1 | R34 R41 S42 | R34-A38 WeakPolarHBondContact O-CB 3.5Å; R34-A38 PolarHBondContact O-N 3.35Å; A38-R41 PolarHBondContact O-N 2.85Å; A38-S42 WeakPolarHBondContact O-CB 3.47Å; A38-S42 PolarHBondContact O-N 3Å |
| 39 | R | 89.9 | Confident | 86.4 | Confident | 164 Ų | 164 | 95.4 Ų | 95.4 | 62% | 0.619 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.7 | -42.6 | 175.3 | -169.9 | 179.4 | 71.3 | 172.8 | 2.7 | 112 | S35 N36 Q37 S42 M43 | S35-R39 WeakPolarHBondContact O-CB 3.4Å; S35-R39 PolarHBondContact O-N 2.84Å; N36-R39 PolarHBondContact O-N 3.17Å; Q37-R39 VanDerWaalsContact C-N 3.34Å; Q37-R39 PolarHBondContact O-N 3.39Å; R39-S42 PolarHBondContact O-N 3.48Å; R39-M43 WeakPolarHBondContact O-CG 3.44Å; R39-M43 PolarHBondContact O-N 3.04Å |
| 40 | L | 92.3 | Very high | 87.7 | Confident | 103 Ų | 103 | 102 Ų | 102 | 54% | 0.539 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.6 | -49 | 176.4 | -74.6 | 168.6 | 0 | 0 | 0 | 111.3 | N36 Q37 S42 M43 E44 | N36-L40 WeakPolarHBondContact O-CG 3.48Å; N36-L40 PolarHBondContact O-N 3.43Å; Q37-L40 PolarHBondContact O-N 2.88Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.12Å; L40-M43 WeakPolarHBondContact O-CB 3.28Å; L40-M43 PolarHBondContact O-N 3.42Å; L40-M43 VanDerWaalsContact O-N 3.08Å; L40-E44 WeakPolarHBondContact O-CG 3.47Å; L40-E44 PolarHBondContact O-N 2.91Å |
| 41 | R | 89.9 | Confident | 88.4 | Confident | 134 Ų | 134 | 104.4 Ų | 104.4 | 51% | 0.506 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -58 | -39.5 | 175.1 | -73.6 | -177.3 | 175.7 | 138.7 | -2.7 | 112.3 | E26 Q37 A38 E44 A45 | E26-R41 IonicContact OE1-NH2 2.66Å; Q37-R41 VanDerWaalsContact NE2-NH2 3.13Å; Q37-R41 WeakPolarHBondContact O-CG 3.33Å; Q37-R41 PolarHBondContact O-N 2.85Å; A38-R41 PolarHBondContact O-N 2.85Å; R41-E44 PolarHBondContact O-N 3.33Å; R41-A45 WeakPolarHBondContact O-CB 3.39Å; R41-A45 PolarHBondContact O-N 3.41Å |
| 42 | S | 89.2 | Confident | 88.6 | Confident | 65 Ų | 65 | 103.5 Ų | 103.5 | 46% | 0.455 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66.6 | -37.5 | 176.1 | 179.3 | 0 | 0 | 0 | 0 | 112.9 | A38 R39 L40 R46 | A38-S42 WeakPolarHBondContact O-CB 3.47Å; A38-S42 PolarHBondContact O-N 3Å; R39-S42 PolarHBondContact O-N 3.48Å; L40-S42 VanDerWaalsContact C-N 3.28Å; L40-S42 PolarHBondContact O-N 3.12Å; S42-R46 WeakPolarHBondContact O-CB 3.39Å; S42-R46 PolarHBondContact O-N 3.36Å; S42-R46 VanDerWaalsContact O-N 3.1Å |
| 43 | M | 89.9 | Confident | 89 | Confident | 106 Ų | 106 | 107.3 Ų | 107.3 | 52% | 0.522 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -69.2 | -41.7 | 175.5 | -77.8 | -66.7 | -63 | 0 | 0 | 111.7 | R39 L40 R46 N47 | R39-M43 WeakPolarHBondContact O-CG 3.44Å; R39-M43 PolarHBondContact O-N 3.04Å; L40-M43 WeakPolarHBondContact O-CB 3.28Å; L40-M43 PolarHBondContact O-N 3.42Å; L40-M43 VanDerWaalsContact O-N 3.08Å; M43-R46 PolarHBondContact O-N 2.97Å; M43-N47 WeakPolarHBondContact O-CB 3.49Å; M43-N47 PolarHBondContact O-N 3.07Å |
| 44 | E | 92 | Very high | 89.2 | Confident | 117 Ų | 117 | 106.5 Ų | 106.5 | 55% | 0.547 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -61 | -47.8 | 174.8 | -73.3 | 169.5 | -179.5 | 0 | 0 | 111.4 | L40 R41 R46 N47 I48 | L40-E44 WeakPolarHBondContact O-CG 3.47Å; L40-E44 PolarHBondContact O-N 2.91Å; R41-E44 PolarHBondContact O-N 3.33Å; E44-R46 VanDerWaalsContact C-N 3.32Å; E44-R46 PolarHBondContact O-N 2.94Å; E44-N47 PolarHBondContact O-N 2.76Å; E44-N47 VanDerWaalsContact O-N 3.16Å; E44-I48 WeakPolarHBondContact O-CG1 3.46Å; E44-I48 PolarHBondContact O-N 2.76Å |
| 45 | A | 89.5 | Confident | 89.6 | Confident | 60 Ų | 60 | 105 Ų | 105 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -60 | -41 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | R41 I48 A49 | R41-A45 WeakPolarHBondContact O-CB 3.39Å; R41-A45 PolarHBondContact O-N 3.41Å; A45-I48 PolarHBondContact O-N 3.48Å; A45-A49 WeakPolarHBondContact O-CB 3.35Å; A45-A49 PolarHBondContact O-N 3.01Å |
| 46 | R | 91.3 | Very high | 89.5 | Confident | 165 Ų | 165 | 106.9 Ų | 106.9 | 62% | 0.623 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -41.9 | 175.3 | -173.7 | -178.4 | -65.7 | 166.4 | -1.5 | 111.8 | S42 M43 E44 A49 W50 | S42-R46 WeakPolarHBondContact O-CB 3.39Å; S42-R46 PolarHBondContact O-N 3.36Å; S42-R46 VanDerWaalsContact O-N 3.1Å; M43-R46 PolarHBondContact O-N 2.97Å; E44-R46 VanDerWaalsContact C-N 3.32Å; E44-R46 PolarHBondContact O-N 2.94Å; R46-A49 PolarHBondContact O-N 3.38Å; R46-W50 WeakPolarHBondContact O-CB 3.38Å; R46-W50 PolarHBondContact O-N 3.44Å |
| 47 | N | 91.4 | Very high | 89.3 | Confident | 81 Ų | 81 | 107.2 Ų | 107.2 | 43% | 0.433 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -64.8 | -41.9 | 178.5 | -168.3 | -25.8 | 0 | 0 | 0 | 111.2 | M43 E44 W50 R51 | M43-N47 WeakPolarHBondContact O-CB 3.49Å; M43-N47 PolarHBondContact O-N 3.07Å; E44-N47 PolarHBondContact O-N 2.76Å; E44-N47 VanDerWaalsContact O-N 3.16Å; N47-W50 PolarHBondContact O-N 2.88Å; N47-R51 PolarHBondContact O-N 2.93Å; N47-R51 PolarHBondContact OD1-NE 2.84Å; N47-R51 VanDerWaalsContact OD1-NE 3.12Å |
| 48 | I | 90.3 | Very high | 89 | Confident | 82 Ų | 82 | 109.1 Ų | 109.1 | 42% | 0.421 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62 | -46.2 | 173.9 | -66.4 | 164.8 | 0 | 0 | 0 | 111.1 | E44 A45 W50 R51 R52 | E44-I48 WeakPolarHBondContact O-CG1 3.46Å; E44-I48 PolarHBondContact O-N 2.76Å; A45-I48 PolarHBondContact O-N 3.48Å; I48-W50 VanDerWaalsContact C-N 3.3Å; I48-W50 PolarHBondContact O-N 3.14Å; I48-R51 PolarHBondContact O-N 3.31Å; I48-R52 WeakPolarHBondContact O-CG 3.44Å; I48-R52 PolarHBondContact O-N 2.83Å |
| 49 | A | 89.7 | Confident | 88.7 | Confident | 57 Ų | 57 | 111.4 Ų | 111.4 | 47% | 0.471 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -61.9 | -38.8 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | A45 R46 R52 K53 | A45-A49 WeakPolarHBondContact O-CB 3.35Å; A45-A49 PolarHBondContact O-N 3.01Å; R46-A49 PolarHBondContact O-N 3.38Å; A49-R52 PolarHBondContact O-N 2.99Å; A49-K53 PolarHBondContact O-N 3.31Å |
| 50 | W | 89.9 | Confident | 88.1 | Confident | 153 Ų | 153 | 106.2 Ų | 106.2 | 58% | 0.58 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 176.8 | -167.4 | 81.8 | 0 | 0 | 0 | 111.9 | R46 N47 I48 K53 H54 | R46-W50 WeakPolarHBondContact O-CB 3.38Å; R46-W50 PolarHBondContact O-N 3.44Å; N47-W50 PolarHBondContact O-N 2.88Å; I48-W50 VanDerWaalsContact C-N 3.3Å; I48-W50 PolarHBondContact O-N 3.14Å; W50-K53 PolarHBondContact O-N 2.77Å; W50-H54 WeakPolarHBondContact O-CB 3.48Å; W50-H54 PolarHBondContact O-N 2.92Å |
| 51 | R | 91.1 | Very high | 87.3 | Confident | 139 Ų | 139 | 104.3 Ų | 104.3 | 53% | 0.525 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.8 | -47.5 | 173.5 | -77.8 | -171.3 | -107 | 173.8 | -3.1 | 112.3 | N47 I48 K53 H54 E55 | N47-R51 PolarHBondContact O-N 2.93Å; N47-R51 PolarHBondContact OD1-NE 2.84Å; N47-R51 VanDerWaalsContact OD1-NE 3.12Å; I48-R51 PolarHBondContact O-N 3.31Å; R51-K53 VanDerWaalsContact C-N 3.33Å; R51-K53 PolarHBondContact O-N 3.45Å; R51-H54 WeakPolarHBondContact O-CB 3.49Å; R51-H54 PolarHBondContact O-N 2.87Å; R51-H54 VanDerWaalsContact O-N 3.14Å; R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 3.47Å |
| 52 | R | 88.4 | Confident | 86.9 | Confident | 169 Ų | 169 | 105.9 Ų | 105.9 | 64% | 0.638 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -59.1 | -41.9 | 175.9 | -72.5 | -179 | 179.8 | 171.1 | 0.2 | 112.6 | I48 A49 E55 L56 | I48-R52 WeakPolarHBondContact O-CG 3.44Å; I48-R52 PolarHBondContact O-N 2.83Å; A49-R52 PolarHBondContact O-N 2.99Å; R52-E55 PolarHBondContact O-N 2.98Å; R52-L56 WeakPolarHBondContact O-CG 3.44Å; R52-L56 PolarHBondContact O-N 2.91Å |
| 53 | K | 89.2 | Confident | 86.2 | Confident | 143 Ų | 143 | 110.8 Ų | 110.8 | 62% | 0.622 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.8 | -42.9 | 176 | -174.2 | 179.6 | 178.6 | -178.7 | 0 | 111.3 | A49 W50 R51 L56 V57 | A49-K53 PolarHBondContact O-N 3.31Å; W50-K53 PolarHBondContact O-N 2.77Å; R51-K53 VanDerWaalsContact C-N 3.33Å; R51-K53 PolarHBondContact O-N 3.45Å; K53-L56 PolarHBondContact O-N 2.94Å; K53-V57 WeakPolarHBondContact O-CG2 3.41Å; K53-V57 PolarHBondContact O-N 3.3Å |
| 54 | H | 87.6 | Confident | 84.9 | Confident | 92 Ų | 92 | 110 Ų | 110 | 43% | 0.426 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -64.8 | -41 | 178.4 | -172.2 | -104.7 | 0 | 0 | 0 | 111.9 | W50 R51 V57 Q58 | W50-H54 WeakPolarHBondContact O-CB 3.48Å; W50-H54 PolarHBondContact O-N 2.92Å; R51-H54 WeakPolarHBondContact O-CB 3.49Å; R51-H54 PolarHBondContact O-N 2.87Å; R51-H54 VanDerWaalsContact O-N 3.14Å; H54-V57 PolarHBondContact O-N 3.33Å; H54-Q58 PolarHBondContact CE1-NE2 3.14Å; H54-Q58 PolarHBondContact ND1-NE2 2.94Å; H54-Q58 WeakPolarHBondContact O-CG 3.4Å; H54-Q58 PolarHBondContact O-N 3.36Å |
| 55 | E | 87.4 | Confident | 83.3 | Confident | 112 Ų | 112 | 109 Ų | 109 | 52% | 0.523 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -59.3 | -47.7 | 172.4 | -75.7 | 167.7 | -175.8 | 0 | 0 | 111.6 | R51 R52 V57 Q58 E59 | R51-E55 WeakPolarHBondContact O-CG 3.45Å; R51-E55 PolarHBondContact O-N 3.47Å; R52-E55 PolarHBondContact O-N 2.98Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-V57 PolarHBondContact O-N 3.38Å; E55-Q58 PolarHBondContact O-N 2.92Å; E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.16Å |
| 56 | L | 85.2 | Confident | 81.9 | Confident | 116 Ų | 116 | 117.6 Ų | 117.6 | 61% | 0.607 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -59.6 | -41.8 | 175.8 | -74.9 | 170.2 | 0 | 0 | 0 | 112.7 | R52 K53 E59 A60 | R52-L56 WeakPolarHBondContact O-CG 3.44Å; R52-L56 PolarHBondContact O-N 2.91Å; K53-L56 PolarHBondContact O-N 2.94Å; L56-E59 PolarHBondContact O-N 2.81Å; L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.47Å |
| 57 | V | 84 | Confident | 80.2 | Confident | 86 Ų | 86 | 119.4 Ų | 119.4 | 52% | 0.521 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.7 | -40.4 | 176.5 | 171 | 0 | 0 | 0 | 0 | 110.9 | K53 H54 E55 A60 A61 | K53-V57 WeakPolarHBondContact O-CG2 3.41Å; K53-V57 PolarHBondContact O-N 3.3Å; H54-V57 PolarHBondContact O-N 3.33Å; E55-V57 VanDerWaalsContact C-N 3.34Å; E55-V57 PolarHBondContact O-N 3.38Å; V57-A60 PolarHBondContact O-N 2.98Å; V57-A61 VanDerWaalsContact O-CB 3.28Å; V57-A61 WeakPolarHBondContact O-CB 3.46Å; V57-A61 PolarHBondContact O-N 3.41Å |
| 58 | Q | 83.7 | Confident | 78.1 | Confident | 91 Ų | 91 | 120 Ų | 120 | 43% | 0.425 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -66.6 | -40.2 | 175.4 | -74.4 | -168.8 | 3.6 | 0 | 0 | 112.5 | H54 E55 A61 K62 | H54-Q58 PolarHBondContact CE1-NE2 3.14Å; H54-Q58 PolarHBondContact ND1-NE2 2.94Å; H54-Q58 WeakPolarHBondContact O-CG 3.4Å; H54-Q58 PolarHBondContact O-N 3.36Å; E55-Q58 PolarHBondContact O-N 2.92Å; Q58-A61 PolarHBondContact O-N 2.96Å; Q58-K62 VanDerWaalsContact O-CG 3.29Å; Q58-K62 WeakPolarHBondContact O-CG 3.38Å; Q58-K62 PolarHBondContact O-N 3.34Å |
| 59 | E | 80.7 | Confident | 76.1 | Confident | 105 Ų | 105 | 125.9 Ų | 125.9 | 49% | 0.491 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -64.4 | -42.5 | 174.2 | -74.2 | -165.8 | 167 | 0 | 0 | 111.8 | E55 L56 K62 K63 | E55-E59 WeakPolarHBondContact O-CG 3.39Å; E55-E59 PolarHBondContact O-N 3.16Å; L56-E59 PolarHBondContact O-N 2.81Å; E59-K62 PolarHBondContact O-N 3.1Å; E59-K63 WeakPolarHBondContact O-CG 3.47Å; E59-K63 PolarHBondContact O-N 3.35Å; E59-K63 VanDerWaalsContact O-N 3.09Å |
| 60 | A | 77.7 | Confident | 73.9 | Confident | 54 Ų | 54 | 130.6 Ų | 130.6 | 45% | 0.446 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -61.6 | -46.2 | 174 | 0 | 0 | 0 | 0 | 0 | 111 | L56 V57 K62 K63 V64 | L56-A60 WeakPolarHBondContact O-CB 3.31Å; L56-A60 PolarHBondContact O-N 3.47Å; V57-A60 PolarHBondContact O-N 2.98Å; A60-K62 VanDerWaalsContact C-N 3.28Å; A60-K62 PolarHBondContact O-N 3.4Å; A60-K63 WeakPolarHBondContact O-CA 3.47Å; A60-K63 PolarHBondContact O-N 3.12Å; A60-V64 WeakPolarHBondContact O-CG2 3.46Å; A60-V64 PolarHBondContact O-N 3.45Å |
| 61 | A | 76.2 | Confident | 71.8 | Confident | 63 Ų | 63 | 130.8 Ų | 130.8 | 52% | 0.521 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -63.6 | -30.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V57 Q58 | V57-A61 VanDerWaalsContact O-CB 3.28Å; V57-A61 WeakPolarHBondContact O-CB 3.46Å; V57-A61 PolarHBondContact O-N 3.41Å; Q58-A61 PolarHBondContact O-N 2.96Å |
| 62 | K | 80 | Confident | 69.5 | Low | 167 Ų | 167 | 128.3 Ų | 128.3 | 73% | 0.726 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71.5 | -32.1 | 171.8 | -73.5 | 170.7 | -175.2 | 173.6 | 0 | 112.4 | Q58 E59 A60 | Q58-K62 VanDerWaalsContact O-CG 3.29Å; Q58-K62 WeakPolarHBondContact O-CG 3.38Å; Q58-K62 PolarHBondContact O-N 3.34Å; E59-K62 PolarHBondContact O-N 3.1Å; A60-K62 VanDerWaalsContact C-N 3.28Å; A60-K62 PolarHBondContact O-N 3.4Å |
| 63 | K | 75.9 | Confident | 67.5 | Low | 168 Ų | 168 | 126.1 Ų | 126.1 | 73% | 0.73 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -78.8 | -19.1 | 177.5 | -71.3 | 175.8 | -177.8 | 175.8 | 0 | 113.2 | E59 A60 P65 | E59-K63 WeakPolarHBondContact O-CG 3.47Å; E59-K63 PolarHBondContact O-N 3.35Å; E59-K63 VanDerWaalsContact O-N 3.09Å; A60-K63 WeakPolarHBondContact O-CA 3.47Å; A60-K63 PolarHBondContact O-N 3.12Å; K63-P65 VanDerWaalsContact O-CD 3.3Å; K63-P65 WeakPolarHBondContact O-CD 3.47Å |
| 64 | V | 62.7 | Low | 65.4 | Low | 91 Ų | 91 | 124.3 Ų | 124.3 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -68.5 | 116.6 | 172.9 | 179.3 | 0 | 0 | 0 | 0 | 109.2 | A60 R66 | A60-V64 WeakPolarHBondContact O-CG2 3.46Å; A60-V64 PolarHBondContact O-N 3.45Å; V64-R66 PolarHBondContact O-N 3.32Å; V64-R66 VanDerWaalsContact O-N 3.11Å |
| 65 | P | 56.4 | Low | 63.3 | Low | 95 Ų | 95 | 128.1 Ų | 128.1 | 62% | 0.617 | 65% | 0.646 | S | S | * | * | trans | -62.3 | 118.9 | 178.5 | 24.3 | -31.5 | 0 | 0 | 0 | 109.4 | K63 K67 | K63-P65 VanDerWaalsContact O-CD 3.3Å; K63-P65 WeakPolarHBondContact O-CD 3.47Å; P65-K67 PolarHBondContact O-N 3.26Å | ||
| 66 | R | 60.9 | Low | 61.4 | Low | 240 Ų | 240 | 132.1 Ų | 132.1 | 91% | 0.906 | 66% | 0.657 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.8 | 17.2 | 177.5 | -71.1 | -178.3 | 168.6 | 169.4 | -4.3 | 114.7 | V64 | V64-R66 PolarHBondContact O-N 3.32Å; V64-R66 VanDerWaalsContact O-N 3.11Å |
| 67 | K | 55.6 | Low | 59.3 | Low | 203 Ų | 203 | 136 Ų | 136 | 88% | 0.883 | 67% | 0.669 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.5 | 8.9 | -169.3 | -72.6 | -168 | 176.2 | -177.4 | 0 | 115.8 | P65 | P65-K67 PolarHBondContact O-N 3.26Š|
| 68 | S | 48 | Very low | 57.7 | Low | 94 Ų | 94 | 136 Ų | 136 | 66% | 0.657 | 67% | 0.672 | S | S | * | * | trans | -113.7 | 67.6 | 169.6 | 58.8 | 0 | 0 | 0 | 0 | 110.9 | E70 | S68-E70 PolarHBondContact O-N 2.94Š| ||
| 69 | K | 47 | Very low | 55.9 | Low | 205 Ų | 205 | 139.4 Ų | 139.4 | 89% | 0.891 | 69% | 0.693 | S | S | * | * | trans | -90.8 | 59.9 | 157.8 | -79.6 | -172.8 | 175.6 | -175.9 | 0 | 108.8 | ||||
| 70 | E | 43.9 | Very low | 54.5 | Low | 156 Ų | 156 | 142.8 Ų | 142.8 | 73% | 0.729 | 71% | 0.709 | S | S | * | * | trans | -168.7 | 99.7 | 160.2 | -143.6 | 174.9 | 170 | 0 | 0 | 106 | S68 V72 | S68-E70 PolarHBondContact O-N 2.94Å; E70-V72 HydrophobicContact CB-CG2 3.86Å; E70-V72 HydrophobicContact CG-CG2 3.45Å; E70-V72 VanDerWaalsContact CG-CG2 3.45Å; E70-V72 PolarHBondContact O-N 2.74Å | ||
| 71 | I | 45.7 | Very low | 53.2 | Low | 158 Ų | 158 | 147 Ų | 147 | 81% | 0.81 | 72% | 0.724 | S | S | * | * | trans | -76.3 | 83.7 | 157.9 | -58.6 | 175.3 | 0 | 0 | 0 | 103.7 | L73 | I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 HydrophobicContact CG2-CD2 4.37Å; I71-L73 HydrophobicContact CG2-CG 4.23Å; I71-L73 PolarHBondContact O-N 2.81Å | ||
| 72 | V | 42.9 | Very low | 51.9 | Low | 87 Ų | 87 | 150.8 Ų | 150.8 | 53% | 0.527 | 74% | 0.736 | S | S | . | * | trans | -68.9 | 99 | 166.9 | -179 | 0 | 0 | 0 | 0 | 105.6 | E70 D74 | E70-V72 HydrophobicContact CB-CG2 3.86Å; E70-V72 HydrophobicContact CG-CG2 3.45Å; E70-V72 VanDerWaalsContact CG-CG2 3.45Å; E70-V72 PolarHBondContact O-N 2.74Å; V72-D74 HydrophobicContact CG1-CB 4.14Å; V72-D74 PolarHBondContact O-N 3.12Å | ||
| 73 | L | 47.5 | Very low | 50.1 | Low | 122 Ų | 122 | 152.5 Ų | 152.5 | 64% | 0.639 | 74% | 0.739 | S | S | * | * | trans | -71 | 83.8 | 161.8 | -70.7 | 168.7 | 0 | 0 | 0 | 106.4 | I71 E75 | I71-L73 VanDerWaalsContact C-N 3.33Å; I71-L73 HydrophobicContact CG2-CD2 4.37Å; I71-L73 HydrophobicContact CG2-CG 4.23Å; I71-L73 PolarHBondContact O-N 2.81Å; L73-E75 VanDerWaalsContact C-N 3.26Å; L73-E75 PolarHBondContact O-N 2.95Å | ||
| 74 | D | 44.4 | Very low | 48.6 | Very low | 106 Ų | 106 | 154.8 Ų | 154.8 | 57% | 0.567 | 74% | 0.743 | S | S | * | * | trans | -72.3 | 86.8 | 174 | -155.4 | 10.5 | 0 | 0 | 0 | 107.6 | V72 R76 | V72-D74 HydrophobicContact CG1-CB 4.14Å; V72-D74 PolarHBondContact O-N 3.12Å; D74-R76 PolarHBondContact O-N 2.72Å; D74-R76 IonicContact OD1-NE 3.53Å; D74-R76 IonicContact OD2-CZ 3.94Å; D74-R76 IonicContact OD2-NE 3.14Å; D74-R76 PolarHBondContact OD2-NE 3.08Å; D74-R76 VanDerWaalsContact OD2-NE 3.14Å | ||
| 75 | E | 43.8 | Very low | 47.7 | Very low | 172 Ų | 172 | 158.4 Ų | 158.4 | 80% | 0.804 | 76% | 0.76 | S | S | * | * | trans | -69.3 | 74.6 | 168.7 | -68.8 | -167.5 | 166.5 | 0 | 0 | 109.7 | L73 K77 | L73-E75 VanDerWaalsContact C-N 3.26Å; L73-E75 PolarHBondContact O-N 2.95Å; E75-K77 PolarHBondContact O-N 3.32Å | ||
| 76 | R | 46.2 | Very low | 46.9 | Very low | 196 Ų | 196 | 157.4 Ų | 157.4 | 74% | 0.74 | 77% | 0.766 | S | S | * | * | trans | -90.1 | 96.6 | 169 | -74.6 | -172.2 | -174.6 | -150.1 | -2.2 | 110.9 | D74 | D74-R76 PolarHBondContact O-N 2.72Å; D74-R76 IonicContact OD1-NE 3.53Å; D74-R76 IonicContact OD2-CZ 3.94Å; D74-R76 IonicContact OD2-NE 3.14Å; D74-R76 PolarHBondContact OD2-NE 3.08Å; D74-R76 VanDerWaalsContact OD2-NE 3.14Å | ||
| 77 | K | 42.6 | Very low | 46 | Very low | 198 Ų | 198 | 149.8 Ų | 149.8 | 86% | 0.861 | 76% | 0.762 | S | S | * | * | trans | -63.7 | 117.9 | 148.8 | -70.6 | 175 | 176.5 | 169.8 | 0 | 109 | E75 | E75-K77 PolarHBondContact O-N 3.32Š| ||
| 78 | S | 49.3 | Very low | 45.6 | Very low | 86 Ų | 86 | 148.1 Ų | 148.1 | 60% | 0.601 | 76% | 0.762 | S | S | * | * | trans | 173.8 | 106.9 | 151.1 | 22.2 | 0 | 0 | 0 | 0 | 105.2 | ||||
| 79 | D | 47.4 | Very low | 45.5 | Very low | 162 Ų | 162 | 146.7 Ų | 146.7 | 87% | 0.866 | 76% | 0.756 | S | S | * | * | 81.7 | 130.6 | 95.2 | -73.3 | -19.9 | 0 | 0 | 0 | 110.6 | |||||
| 80 | E | 50 | Low | 46.2 | Very low | 176 Ų | 176 | 144.5 Ų | 144.5 | 82% | 0.822 | 75% | 0.753 | S | S | * | * | trans | -46.3 | 141 | -175.2 | -56.7 | -170.3 | 143.8 | 0 | 0 | 113.2 | ||||
| 81 | D | 50.5 | Low | 46.8 | Very low | 141 Ų | 141 | 146.1 Ų | 146.1 | 75% | 0.754 | 76% | 0.758 | S | S | * | * | trans | 144.3 | 138.1 | 132.2 | -70.9 | -31.2 | 0 | 0 | 0 | 112.8 | ||||
| 82 | D | 48.2 | Very low | 46.9 | Very low | 144 Ų | 144 | 145.3 Ų | 145.3 | 77% | 0.77 | 76% | 0.755 | S | S | * | * | trans | 76 | 92.2 | 158.2 | -71 | -24 | 0 | 0 | 0 | 121.2 | ||||
| 83 | Y | 43.9 | Very low | 47.3 | Very low | 202 Ų | 202 | 148.1 Ų | 148.1 | 79% | 0.792 | 77% | 0.768 | S | S | * | * | 31 | 127.4 | 120 | -76 | -82.5 | 0 | 0 | 0 | 120.5 | |||||
| 84 | R | 43.7 | Very low | 47.3 | Very low | 216 Ų | 216 | 150.2 Ų | 150.2 | 82% | 0.815 | 78% | 0.779 | S | S | * | * | trans | 70.4 | 95.2 | 145 | -65.7 | 176.1 | 175 | -161.2 | -1.2 | 116.9 | ||||
| 85 | N | 44 | Very low | 47.7 | Very low | 168 Ų | 168 | 150 Ų | 150 | 90% | 0.898 | 79% | 0.787 | S | S | * | * | 166.6 | 128.2 | 112.9 | -89.2 | -22.4 | 0 | 0 | 0 | 111.9 | |||||
| 86 | G | 39.6 | Very low | 48.1 | Very low | 73 Ų | 73 | 151.3 Ų | 151.3 | 75% | 0.753 | 79% | 0.792 | S | S | * | * | trans | 91.5 | 29.8 | 132.8 | 0 | 0 | 0 | 0 | 0 | 119.8 | L88 | G86-L88 PolarHBondContact O-N 2.86Š| ||
| 87 | G | 40.9 | Very low | 48 | Very low | 80 Ų | 80 | 151 Ų | 151 | 83% | 0.825 | 80% | 0.8 | S | S | * | * | trans | -77.5 | 96.2 | 167.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | A89 | G87-A89 PolarHBondContact O-N 3.1Å; G87-A89 VanDerWaalsContact O-N 3.11Å | ||
| 88 | L | 47.6 | Very low | 48.2 | Very low | 169 Ų | 169 | 145.6 Ų | 145.6 | 89% | 0.885 | 79% | 0.792 | S | S | * | * | trans | -47.2 | 108.2 | 175 | -76.8 | 149.5 | 0 | 0 | 0 | 112.3 | G86 L90 | G86-L88 PolarHBondContact O-N 2.86Å; L88-L90 PolarHBondContact O-N 3.44Å | ||
| 89 | A | 46.8 | Very low | 47.7 | Very low | 64 Ų | 64 | 149.1 Ų | 149.1 | 53% | 0.529 | 80% | 0.804 | S | S | . | * | trans | -75.6 | 114.5 | 165.1 | 0 | 0 | 0 | 0 | 0 | 108.7 | G87 F91 | G87-A89 PolarHBondContact O-N 3.1Å; G87-A89 VanDerWaalsContact O-N 3.11Å; A89-F91 PolarHBondContact O-N 3.28Å | ||
| 90 | L | 62 | Low | 47.5 | Very low | 159 Ų | 159 | 146 Ų | 146 | 83% | 0.832 | 79% | 0.79 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.9 | 13.6 | -179.8 | -159.6 | 73 | 0 | 0 | 0 | 112.7 | L88 | L88-L90 PolarHBondContact O-N 3.44Š|
| 91 | F | 55.9 | Low | 47.1 | Very low | 189 Ų | 189 | 142.3 Ų | 142.3 | 83% | 0.829 | 78% | 0.784 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -141 | 30.2 | -175.2 | -65.2 | -71.3 | 0 | 0 | 0 | 113.7 | A89 D93 | A89-F91 PolarHBondContact O-N 3.28Å; F91-D93 PolarHBondContact O-N 2.84Å |
| 92 | D | 47.6 | Very low | 46.9 | Very low | 141 Ų | 141 | 145.5 Ų | 145.5 | 75% | 0.754 | 79% | 0.786 | S | S | * | * | trans | -87.4 | 85.8 | 164.3 | -74 | -21.2 | 0 | 0 | 0 | 108.4 | ||||
| 93 | D | 51.4 | Low | 46.8 | Very low | 147 Ų | 147 | 143.2 Ų | 143.2 | 79% | 0.786 | 78% | 0.779 | S | S | * | * | trans | -118.8 | 111.1 | 161.7 | -154.8 | 5.5 | 0 | 0 | 0 | 108.2 | F91 S95 | F91-D93 PolarHBondContact O-N 2.84Å; D93-S95 VanDerWaalsContact C-N 3.34Å; D93-S95 PolarHBondContact O-N 3.06Å | ||
| 94 | D | 47.8 | Very low | 46.8 | Very low | 165 Ų | 165 | 141.8 Ų | 141.8 | 88% | 0.882 | 79% | 0.785 | S | S | * | * | trans | -59.2 | 84.1 | -174.8 | -69.8 | -47.8 | 0 | 0 | 0 | 111.9 | ||||
| 95 | S | 53.4 | Low | 47.2 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 72% | 0.72 | 78% | 0.783 | S | S | * | * | trans | -115.1 | 111.5 | 163.1 | 54.9 | 0 | 0 | 0 | 0 | 109.1 | D93 E97 | D93-S95 VanDerWaalsContact C-N 3.34Å; D93-S95 PolarHBondContact O-N 3.06Å; S95-E97 PolarHBondContact O-N 3.39Å; S95-E97 VanDerWaalsContact O-N 3.11Å | ||
| 96 | Q | 50.9 | Low | 47.7 | Very low | 198 Ų | 198 | 141.4 Ų | 141.4 | 93% | 0.925 | 78% | 0.783 | S | S | * | * | trans | -35.4 | 114.3 | 179.8 | -74.5 | 178.3 | -30.4 | 0 | 0 | 112.2 | A98 | Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.93Å | ||
| 97 | E | 44.1 | Very low | 48.9 | Very low | 191 Ų | 191 | 142 Ų | 142 | 89% | 0.893 | 77% | 0.769 | S | S | * | * | trans | -56.4 | 97.8 | 164.4 | -66.7 | -169.3 | 158 | 0 | 0 | 108.8 | S95 D99 | S95-E97 PolarHBondContact O-N 3.39Å; S95-E97 VanDerWaalsContact O-N 3.11Å; E97-D99 PolarHBondContact O-N 2.78Å | ||
| 98 | A | 46.8 | Very low | 50.4 | Low | 84 Ų | 84 | 141.3 Ų | 141.3 | 69% | 0.694 | 75% | 0.751 | S | S | * | * | trans | -69.7 | 107.4 | 150.1 | 0 | 0 | 0 | 0 | 0 | 105.8 | Q96 V100 | Q96-A98 VanDerWaalsContact C-N 3.34Å; Q96-A98 PolarHBondContact O-N 2.93Å; A98-V100 VanDerWaalsContact C-N 3.28Å; A98-V100 PolarHBondContact O-N 2.87Å | ||
| 99 | D | 39.8 | Very low | 51.6 | Low | 159 Ų | 159 | 137.7 Ų | 137.7 | 85% | 0.85 | 73% | 0.73 | S | S | * | * | trans | -35.7 | 86.5 | 164.2 | -118.3 | -22.3 | 0 | 0 | 0 | 111.1 | E97 | E97-D99 PolarHBondContact O-N 2.78Š| ||
| 100 | V | 42.3 | Very low | 52.8 | Low | 96 Ų | 96 | 135.8 Ų | 135.8 | 58% | 0.582 | 71% | 0.714 | S | S | * | * | trans | -103.1 | 80.3 | 162.6 | -176.1 | 0 | 0 | 0 | 0 | 105.1 | A98 W102 | A98-V100 VanDerWaalsContact C-N 3.28Å; A98-V100 PolarHBondContact O-N 2.87Å; V100-W102 VanDerWaalsContact C-N 3.26Å; V100-W102 PolarHBondContact O-N 3.11Å | ||
| 101 | S | 42.4 | Very low | 53.5 | Low | 100 Ų | 100 | 132.4 Ų | 132.4 | 70% | 0.699 | 69% | 0.693 | S | S | * | * | trans | -57.4 | 97.3 | 160.4 | 64.6 | 0 | 0 | 0 | 0 | 106.9 | P103 | S101-P103 WeakPolarHBondContact O-CD 3.43Š| ||
| 102 | W | 46.9 | Very low | 54.4 | Low | 208 Ų | 208 | 126.5 Ų | 126.5 | 79% | 0.788 | 67% | 0.672 | S | S | * | * | trans | -59 | 123.2 | 166 | -71.3 | 89.6 | 0 | 0 | 0 | 106.1 | V100 D104 | V100-W102 VanDerWaalsContact C-N 3.26Å; V100-W102 PolarHBondContact O-N 3.11Å; W102-D104 PolarHBondContact O-N 2.95Å | ||
| 103 | P | 45.2 | Very low | 55.7 | Low | 96 Ų | 96 | 127 Ų | 127 | 62% | 0.623 | 66% | 0.663 | S | S | * | * | trans | -63.7 | 113.8 | 179.5 | 24.5 | -29.1 | 0 | 0 | 0 | 106.9 | S101 R105 | S101-P103 WeakPolarHBondContact O-CD 3.43Å; P103-R105 PolarHBondContact O-N 3.41Å | ||
| 104 | D | 43.4 | Very low | 56.9 | Low | 172 Ų | 172 | 120.2 Ų | 120.2 | 92% | 0.92 | 63% | 0.627 | S | S | * | * | trans | -63.8 | 76.1 | 170.8 | -145.5 | 11.3 | 0 | 0 | 0 | 107.8 | W102 | W102-D104 PolarHBondContact O-N 2.95Š| ||
| 105 | R | 52.4 | Low | 58.2 | Low | 205 Ų | 205 | 116.7 Ų | 116.7 | 77% | 0.774 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -151 | 99.3 | -178 | -78.9 | -166.4 | 171.6 | -173.9 | -3 | 109.3 | P103 I107 | P103-R105 PolarHBondContact O-N 3.41Å; R105-I107 PolarHBondContact O-N 3.43Å |
| 106 | D | 54.9 | Low | 59.4 | Low | 170 Ų | 170 | 117 Ų | 117 | 91% | 0.909 | 60% | 0.6 | S | S | * | * | trans | 19.4 | 71.2 | 150.5 | -56.5 | -27.8 | 0 | 0 | 0 | 114.7 | S108 | D106-S108 PolarHBondContact O-N 3.31Å; D106-S108 VanDerWaalsContact O-N 3.08Å | ||
| 107 | I | 64.9 | Low | 60.4 | Low | 87 Ų | 87 | 112.5 Ų | 112.5 | 45% | 0.446 | 58% | 0.58 | S | S | . | * | trans | -70 | 108.6 | 169.4 | -59.6 | 178.4 | 0 | 0 | 0 | 105.7 | R105 K111 T112 | R105-I107 PolarHBondContact O-N 3.43Å; I107-K111 HydrophobicContact CG2-CB 3.75Å; I107-K111 HydrophobicContact CG2-CD 4.1Å; I107-K111 HydrophobicContact CG2-CG 3.87Å; I107-T112 WeakPolarHBondContact CG2-OG1 3.38Å | ||
| 108 | S | 71.1 | Confident | 61.7 | Low | 64 Ų | 64 | 105.2 Ų | 105.2 | 45% | 0.448 | 55% | 0.545 | S | S | . | . | trans | -54.8 | 145.2 | 175.7 | 66.3 | 0 | 0 | 0 | 0 | 110.2 | D106 A110 K111 T112 | D106-S108 PolarHBondContact O-N 3.31Å; D106-S108 VanDerWaalsContact O-N 3.08Å; S108-A110 PolarHBondContact O-N 3.45Å; S108-K111 WeakPolarHBondContact O-CA 3.3Å; S108-K111 WeakPolarHBondContact O-CB 3.48Å; S108-K111 PolarHBondContact O-N 2.88Å; S108-K111 PolarHBondContact OG-N 3.02Å; S108-T112 PolarHBondContact O-N 3.47Å; S108-T112 VanDerWaalsContact O-N 3.1Å; S108-T112 PolarHBondContact O-OG1 3.12Å | ||
| 109 | E | 74.3 | Confident | 62.9 | Low | 94 Ų | 94 | 104.2 Ų | 104.2 | 44% | 0.439 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -52.5 | -35 | 178.7 | -166.4 | -169.8 | 158.1 | 0 | 0 | 111.6 | K111 T112 R113 Q139 | E109-K111 PolarHBondContact O-N 3.37Å; E109-T112 PolarHBondContact O-N 3.42Å; E109-R113 WeakPolarHBondContact O-CG 3.31Å; E109-R113 PolarHBondContact O-N 3.36Å; E109-R113 IonicContact OE1-CZ 3.12Å; E109-R113 VanDerWaalsContact OE1-CZ 3.23Å; E109-R113 IonicContact OE1-NE 3.98Å; E109-R113 PolarHBondContact OE1-NE 3.36Å; E109-R113 VanDerWaalsContact OE1-NE 3.09Å; E109-R113 IonicContact OE1-NH2 3.95Å; E109-R113 PolarHBondContact OE1-NH2 2.96Å; E109-Q139 PolarHBondContact OE2-NE2 2.89Å |
| 110 | A | 72.2 | Confident | 64.5 | Low | 24 Ų | 24 | 105.2 Ų | 105.2 | 20% | 0.198 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -59.3 | -42.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S108 R113 M114 L134 | S108-A110 PolarHBondContact O-N 3.45Å; A110-R113 PolarHBondContact O-N 3.07Å; A110-M114 WeakPolarHBondContact O-CB 3.42Å; A110-M114 PolarHBondContact O-N 3.4Å; A110-L134 HydrophobicContact CB-CD2 4.14Å |
| 111 | K | 76.3 | Confident | 65.7 | Low | 88 Ų | 88 | 105 Ų | 105 | 38% | 0.383 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.1 | -36.5 | 177.3 | -172.6 | 169 | -177.9 | 175.5 | 0 | 111.8 | I107 S108 E109 M114 L115 L134 | I107-K111 HydrophobicContact CG2-CB 3.75Å; I107-K111 HydrophobicContact CG2-CD 4.1Å; I107-K111 HydrophobicContact CG2-CG 3.87Å; S108-K111 WeakPolarHBondContact O-CA 3.3Å; S108-K111 WeakPolarHBondContact O-CB 3.48Å; S108-K111 PolarHBondContact O-N 2.88Å; S108-K111 PolarHBondContact OG-N 3.02Å; E109-K111 PolarHBondContact O-N 3.37Å; K111-M114 HydrophobicContact CG-CE 4.27Å; K111-M114 PolarHBondContact O-N 3.09Å; K111-L115 HydrophobicContact CG-CD1 4.15Å; K111-L115 WeakPolarHBondContact O-CB 3.43Å; K111-L115 PolarHBondContact O-N 3.2Å; K111-L134 HydrophobicContact CB-CD1 4.42Å |
| 112 | T | 75.2 | Confident | 66.9 | Low | 64 Ų | 64 | 102.1 Ų | 102.1 | 39% | 0.393 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 173 | -50 | 0 | 0 | 0 | 0 | 111.2 | I107 S108 E109 M114 L115 L116 | I107-T112 WeakPolarHBondContact CG2-OG1 3.38Å; S108-T112 PolarHBondContact O-N 3.47Å; S108-T112 VanDerWaalsContact O-N 3.1Å; S108-T112 PolarHBondContact O-OG1 3.12Å; E109-T112 PolarHBondContact O-N 3.42Å; T112-M114 VanDerWaalsContact C-N 3.33Å; T112-M114 PolarHBondContact O-N 2.79Å; T112-L115 PolarHBondContact O-N 2.89Å; T112-L116 HydrophobicContact CG2-CD1 4.26Å; T112-L116 WeakPolarHBondContact O-CB 3.5Å; T112-L116 PolarHBondContact O-N 3.34Å |
| 113 | R | 75.1 | Confident | 68 | Low | 151 Ų | 151 | 98 Ų | 98 | 57% | 0.57 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -61.3 | -41 | 174.3 | -72.2 | 177.5 | -176.6 | -159.4 | 2 | 111.6 | E109 A110 L116 Q117 | E109-R113 WeakPolarHBondContact O-CG 3.31Å; E109-R113 PolarHBondContact O-N 3.36Å; E109-R113 IonicContact OE1-CZ 3.12Å; E109-R113 VanDerWaalsContact OE1-CZ 3.23Å; E109-R113 IonicContact OE1-NE 3.98Å; E109-R113 PolarHBondContact OE1-NE 3.36Å; E109-R113 VanDerWaalsContact OE1-NE 3.09Å; E109-R113 IonicContact OE1-NH2 3.95Å; E109-R113 PolarHBondContact OE1-NH2 2.96Å; A110-R113 PolarHBondContact O-N 3.07Å; R113-L116 PolarHBondContact O-N 3.1Å; R113-Q117 WeakPolarHBondContact O-CG 3.44Å; R113-Q117 PolarHBondContact O-N 3.31Å |
| 114 | M | 74.8 | Confident | 69.3 | Low | 6 Ų | 6 | 95.6 Ų | 95.6 | 3% | 0.03 | 51% | 0.505 | C | S | . | . | H | α-helix | trans | -63.1 | -47.5 | 175 | -178 | -171.3 | 70.6 | 0 | 0 | 111.8 | A110 K111 T112 L116 Q117 Q118 M129 D131 L134 | A110-M114 WeakPolarHBondContact O-CB 3.42Å; A110-M114 PolarHBondContact O-N 3.4Å; K111-M114 HydrophobicContact CG-CE 4.27Å; K111-M114 PolarHBondContact O-N 3.09Å; T112-M114 VanDerWaalsContact C-N 3.33Å; T112-M114 PolarHBondContact O-N 2.79Å; M114-L116 VanDerWaalsContact C-N 3.29Å; M114-L116 PolarHBondContact O-N 3.47Å; M114-Q117 CarbonylContact O-C 3.58Å; M114-Q117 PolarHBondContact O-N 2.95Å; M114-Q117 VanDerWaalsContact O-N 3.11Å; M114-Q118 HydrophobicContact CG-CG 4.26Å; M114-Q118 WeakPolarHBondContact O-CB 3.45Å; M114-Q118 WeakPolarHBondContact O-CG 3.27Å; M114-Q118 PolarHBondContact O-N 2.91Å; M114-M129 HydrophobicContact CB-CE 4.02Å; M114-M129 HydrophobicContact CG-CB 4.25Å; M114-M129 HydrophobicContact CG-CE 3.69Å; M114-M129 HydrophobicContact SD-CB 4.28Å; M114-M129 HydrophobicContact SD-CE 4.49Å; M114-D131 WeakPolarHBondContact CE-OD1 3.33Å; M114-L134 HydrophobicContact CB-CD1 4.38Å; M114-L134 HydrophobicContact CB-CD2 4.09Å; M114-L134 HydrophobicContact CE-CD1 4.03Å; M114-L134 HydrophobicContact SD-CD1 3.65Å; M114-L134 HydrophobicContact SD-CD2 4.39Å; M114-L134 HydrophobicContact SD-CG 4.18Å |
| 115 | L | 76.3 | Confident | 70.7 | Confident | 90 Ų | 90 | 92.3 Ų | 92.3 | 47% | 0.471 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -59.7 | -41.3 | 177.6 | -84.1 | 155.2 | 0 | 0 | 0 | 111.4 | K111 T112 Q118 G119 | K111-L115 HydrophobicContact CG-CD1 4.15Å; K111-L115 WeakPolarHBondContact O-CB 3.43Å; K111-L115 PolarHBondContact O-N 3.2Å; T112-L115 PolarHBondContact O-N 2.89Å; L115-Q118 PolarHBondContact O-N 2.99Å; L115-G119 PolarHBondContact O-N 3.08Å |
| 116 | L | 77.1 | Confident | 71.9 | Confident | 110 Ų | 110 | 92 Ų | 92 | 58% | 0.576 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -61.3 | -42.9 | 172.4 | -86.2 | 155.2 | 0 | 0 | 0 | 112.3 | T112 R113 M114 G119 K120 | T112-L116 HydrophobicContact CG2-CD1 4.26Å; T112-L116 WeakPolarHBondContact O-CB 3.5Å; T112-L116 PolarHBondContact O-N 3.34Å; R113-L116 PolarHBondContact O-N 3.1Å; M114-L116 VanDerWaalsContact C-N 3.29Å; M114-L116 PolarHBondContact O-N 3.47Å; L116-G119 PolarHBondContact O-N 2.98Å; L116-K120 WeakPolarHBondContact O-CG 3.42Å; L116-K120 PolarHBondContact O-N 3.36Å |
| 117 | Q | 72.5 | Confident | 72.6 | Confident | 104 Ų | 104 | 89.3 Ų | 89.3 | 49% | 0.486 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.5 | -39.7 | 176.6 | -74.9 | -178.4 | -3 | 0 | 0 | 112.3 | R113 M114 G119 K120 I121 | R113-Q117 WeakPolarHBondContact O-CG 3.44Å; R113-Q117 PolarHBondContact O-N 3.31Å; M114-Q117 CarbonylContact O-C 3.58Å; M114-Q117 PolarHBondContact O-N 2.95Å; M114-Q117 VanDerWaalsContact O-N 3.11Å; Q117-G119 VanDerWaalsContact C-N 3.3Å; Q117-G119 PolarHBondContact O-N 3.46Å; Q117-K120 WeakPolarHBondContact O-CB 3.38Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q117-K120 VanDerWaalsContact O-N 3.09Å; Q117-I121 WeakPolarHBondContact O-CG1 3.28Å; Q117-I121 PolarHBondContact O-N 3.22Å |
| 118 | Q | 72.5 | Confident | 72.8 | Confident | 37 Ų | 37 | 93.6 Ų | 93.6 | 17% | 0.173 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -65 | -36.1 | 174.6 | -72.2 | -175.8 | 3 | 0 | 0 | 111.2 | M114 L115 K120 I121 G122 M129 | M114-Q118 HydrophobicContact CG-CG 4.26Å; M114-Q118 WeakPolarHBondContact O-CB 3.45Å; M114-Q118 WeakPolarHBondContact O-CG 3.27Å; M114-Q118 PolarHBondContact O-N 2.91Å; L115-Q118 PolarHBondContact O-N 2.99Å; Q118-K120 VanDerWaalsContact C-N 3.27Å; Q118-K120 PolarHBondContact O-N 2.97Å; Q118-I121 PolarHBondContact O-N 2.87Å; Q118-G122 PolarHBondContact O-N 3.42Å; Q118-M129 PolarHBondContact NE2-O 2.9Å |
| 119 | G | 71 | Confident | 72.7 | Confident | 63 Ų | 63 | 93.7 Ų | 93.7 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -60.7 | -33.3 | 170.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | L115 L116 Q117 | L115-G119 PolarHBondContact O-N 3.08Å; L116-G119 PolarHBondContact O-N 2.98Å; Q117-G119 VanDerWaalsContact C-N 3.3Å; Q117-G119 PolarHBondContact O-N 3.46Å |
| 120 | K | 73.5 | Confident | 72.5 | Confident | 180 Ų | 180 | 93.5 Ų | 93.5 | 78% | 0.783 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -77.4 | -35.8 | 177.8 | -70.4 | 179.6 | -178.6 | -172.5 | 0 | 113.6 | L116 Q117 Q118 | L116-K120 WeakPolarHBondContact O-CG 3.42Å; L116-K120 PolarHBondContact O-N 3.36Å; Q117-K120 WeakPolarHBondContact O-CB 3.38Å; Q117-K120 PolarHBondContact O-N 3.48Å; Q117-K120 VanDerWaalsContact O-N 3.09Å; Q118-K120 VanDerWaalsContact C-N 3.27Å; Q118-K120 PolarHBondContact O-N 2.97Å |
| 121 | I | 68.3 | Low | 72.3 | Confident | 93 Ų | 93 | 96.7 Ų | 96.7 | 48% | 0.477 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -84.8 | -16.7 | -178.2 | -55.2 | 164.1 | 0 | 0 | 0 | 111.4 | Q117 Q118 F127 | Q117-I121 WeakPolarHBondContact O-CG1 3.28Å; Q117-I121 PolarHBondContact O-N 3.22Å; Q118-I121 PolarHBondContact O-N 2.87Å; I121-F127 HydrophobicContact CB-CB 4.42Å; I121-F127 HydrophobicContact CG2-CB 3.4Å; I121-F127 HydrophobicContact CG2-CD1 4.35Å; I121-F127 HydrophobicContact CG2-CD2 3.91Å; I121-F127 HydrophobicContact CG2-CG 3.65Å |
| 122 | G | 67.6 | Low | 72 | Confident | 38 Ų | 38 | 99.7 Ų | 99.7 | 39% | 0.392 | 51% | 0.512 | S | S | . | . | trans | 82.1 | 176.1 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q118 D124 | Q118-G122 PolarHBondContact O-N 3.42Å; G122-D124 PolarHBondContact O-N 2.89Å | ||
| 123 | S | 69.9 | Low | 71.5 | Confident | 123 Ų | 123 | 104.3 Ų | 104.3 | 86% | 0.86 | 53% | 0.527 | S | S | * | . | S | Bend | trans | -74.5 | 23.7 | -174.6 | 52.4 | 0 | 0 | 0 | 0 | 114.8 | P125 | S123-P125 VanDerWaalsContact O-CD 3.31Å; S123-P125 WeakPolarHBondContact O-CD 3.49Å |
| 124 | D | 72.3 | Confident | 71 | Confident | 44 Ų | 44 | 98.9 Ų | 98.9 | 24% | 0.235 | 51% | 0.509 | C | S | . | . | trans | -72.6 | 117.3 | 178.9 | -176.3 | -24.9 | 0 | 0 | 0 | 109.9 | G122 R126 F127 | G122-D124 PolarHBondContact O-N 2.89Å; D124-R126 PolarHBondContact O-N 2.9Å; D124-R126 WeakPolarHBondContact OD1-CB 3.48Å; D124-R126 WeakPolarHBondContact OD1-CG 3.44Å; D124-R126 IonicContact OD1-CZ 3.42Å; D124-R126 PolarHBondContact OD1-N 3.45Å; D124-R126 IonicContact OD1-NE 3.27Å; D124-R126 PolarHBondContact OD1-NE 2.91Å; D124-R126 VanDerWaalsContact OD1-NE 3.12Å; D124-R126 IonicContact OD1-NH2 2.72Å; D124-R126 IonicContact OD2-CZ 3.23Å; D124-R126 IonicContact OD2-NE 3.83Å; D124-R126 PolarHBondContact OD2-NE 2.93Å; D124-R126 IonicContact OD2-NH2 3.09Å; D124-R126 PolarHBondContact OD2-NH2 3.37Å; D124-F127 HydrophobicContact CB-CD2 3.82Å; D124-F127 HydrophobicContact CB-CE2 4.41Å; D124-F127 PolarHBondContact O-N 2.95Å; D124-F127 VanDerWaalsContact O-N 3.08Å; D124-F127 WeakPolarHBondContact OD2-CE2 3.33Å | ||
| 125 | P | 72.5 | Confident | 70.2 | Confident | 103 Ų | 103 | 101.4 Ų | 101.4 | 67% | 0.669 | 53% | 0.532 | S | S | * | . | G | 310 helix | trans | -56.7 | -26.6 | -176.7 | -24.7 | 33.8 | 0 | 0 | 0 | 114.1 | S123 F127 R128 | S123-P125 VanDerWaalsContact O-CD 3.31Å; S123-P125 WeakPolarHBondContact O-CD 3.49Å; P125-F127 PolarHBondContact O-N 3.49Å; P125-R128 PolarHBondContact O-N 2.94Å |
| 126 | R | 77.1 | Confident | 69.3 | Low | 199 Ų | 199 | 104.2 Ų | 104.2 | 75% | 0.751 | 55% | 0.547 | S | S | * | . | G | 310 helix | trans | -71.1 | -19.5 | -177.6 | -62 | 175.7 | -66.7 | 178.6 | 1.1 | 113.1 | D124 | D124-R126 PolarHBondContact O-N 2.9Å; D124-R126 WeakPolarHBondContact OD1-CB 3.48Å; D124-R126 WeakPolarHBondContact OD1-CG 3.44Å; D124-R126 IonicContact OD1-CZ 3.42Å; D124-R126 PolarHBondContact OD1-N 3.45Å; D124-R126 IonicContact OD1-NE 3.27Å; D124-R126 PolarHBondContact OD1-NE 2.91Å; D124-R126 VanDerWaalsContact OD1-NE 3.12Å; D124-R126 IonicContact OD1-NH2 2.72Å; D124-R126 IonicContact OD2-CZ 3.23Å; D124-R126 IonicContact OD2-NE 3.83Å; D124-R126 PolarHBondContact OD2-NE 2.93Å; D124-R126 IonicContact OD2-NH2 3.09Å; D124-R126 PolarHBondContact OD2-NH2 3.37Å |
| 127 | F | 69.7 | Low | 68.3 | Low | 114 Ų | 114 | 107.5 Ų | 107.5 | 50% | 0.5 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -114.3 | 10.5 | -177.8 | -55.2 | -78.8 | 0 | 0 | 0 | 113 | I121 D124 P125 M129 | I121-F127 HydrophobicContact CB-CB 4.42Å; I121-F127 HydrophobicContact CG2-CB 3.4Å; I121-F127 HydrophobicContact CG2-CD1 4.35Å; I121-F127 HydrophobicContact CG2-CD2 3.91Å; I121-F127 HydrophobicContact CG2-CG 3.65Å; D124-F127 HydrophobicContact CB-CD2 3.82Å; D124-F127 HydrophobicContact CB-CE2 4.41Å; D124-F127 PolarHBondContact O-N 2.95Å; D124-F127 VanDerWaalsContact O-N 3.08Å; D124-F127 WeakPolarHBondContact OD2-CE2 3.33Å; P125-F127 PolarHBondContact O-N 3.49Å; F127-M129 PolarHBondContact O-N 3.49Å |
| 128 | R | 70.2 | Confident | 67.4 | Low | 176 Ų | 176 | 109 Ų | 109 | 66% | 0.664 | 57% | 0.567 | S | S | * | * | trans | -67.2 | 108.1 | 169.9 | -66.1 | -172.9 | 85.2 | 158.4 | 5.1 | 108.1 | P125 N130 | P125-R128 PolarHBondContact O-N 2.94Å; R128-N130 PolarHBondContact O-N 3.26Å | ||
| 129 | M | 68.1 | Low | 66.5 | Low | 67 Ų | 67 | 113.7 Ų | 113.7 | 33% | 0.33 | 59% | 0.589 | S | S | . | * | trans | -61 | 125.3 | 172.4 | -171.6 | 150.6 | 66.1 | 0 | 0 | 108.4 | M114 Q118 F127 F133 L134 | M114-M129 HydrophobicContact CB-CE 4.02Å; M114-M129 HydrophobicContact CG-CB 4.25Å; M114-M129 HydrophobicContact CG-CE 3.69Å; M114-M129 HydrophobicContact SD-CB 4.28Å; M114-M129 HydrophobicContact SD-CE 4.49Å; Q118-M129 PolarHBondContact NE2-O 2.9Å; F127-M129 PolarHBondContact O-N 3.49Å; M129-F133 HydrophobicContact CG-CB 4.5Å; M129-L134 HydrophobicContact CE-CD2 4.38Å | ||
| 130 | N | 70.2 | Confident | 65.3 | Low | 89 Ų | 89 | 116.7 Ų | 116.7 | 48% | 0.476 | 59% | 0.59 | S | S | . | * | trans | -69.9 | 131.8 | -180 | -154.3 | -8 | 0 | 0 | 0 | 108.3 | R128 L132 F133 | R128-N130 PolarHBondContact O-N 3.26Å; N130-L132 PolarHBondContact O-N 3.06Å; N130-F133 HydrophobicContact CB-CD2 3.65Å; N130-F133 HydrophobicContact CB-CE2 3.85Å; N130-F133 PolarHBondContact O-N 3.24Å | ||
| 131 | D | 67.9 | Low | 64.1 | Low | 92 Ų | 92 | 116.6 Ų | 116.6 | 49% | 0.492 | 59% | 0.589 | S | S | . | * | G | 310 helix | trans | -56.2 | -23.8 | -179.5 | -66.4 | 0.6 | 0 | 0 | 0 | 111.8 | M114 F133 L134 | M114-D131 WeakPolarHBondContact CE-OD1 3.33Å; D131-F133 PolarHBondContact O-N 2.93Å; D131-L134 WeakPolarHBondContact O-CB 3.44Å; D131-L134 PolarHBondContact O-N 3.35Å |
| 132 | L | 70.2 | Confident | 63.1 | Low | 150 Ų | 150 | 119.2 Ų | 119.2 | 79% | 0.785 | 60% | 0.6 | S | S | * | * | G | 310 helix | trans | -62.4 | -19.6 | 173.9 | -69.3 | 165.9 | 0 | 0 | 0 | 114.7 | N130 | N130-L132 PolarHBondContact O-N 3.06Š|
| 133 | F | 64.8 | Low | 61.8 | Low | 161 Ų | 161 | 124.6 Ų | 124.6 | 71% | 0.706 | 62% | 0.62 | S | S | * | * | G | 310 helix | trans | -89.5 | -7.4 | 175.1 | -67.4 | -72.9 | 0 | 0 | 0 | 113 | M129 N130 D131 A135 | M129-F133 HydrophobicContact CG-CB 4.5Å; N130-F133 HydrophobicContact CB-CD2 3.65Å; N130-F133 HydrophobicContact CB-CE2 3.85Å; N130-F133 PolarHBondContact O-N 3.24Å; D131-F133 PolarHBondContact O-N 2.93Å; F133-A135 PolarHBondContact O-N 3.34Å |
| 134 | L | 64.2 | Low | 60.7 | Low | 37 Ų | 37 | 124.7 Ų | 124.7 | 19% | 0.194 | 61% | 0.607 | C | S | . | * | trans | -77.6 | 84.4 | 165.9 | -58.8 | 171.5 | 0 | 0 | 0 | 106.5 | A110 K111 M114 M129 D131 D136 | A110-L134 HydrophobicContact CB-CD2 4.14Å; K111-L134 HydrophobicContact CB-CD1 4.42Å; M114-L134 HydrophobicContact CB-CD1 4.38Å; M114-L134 HydrophobicContact CB-CD2 4.09Å; M114-L134 HydrophobicContact CE-CD1 4.03Å; M114-L134 HydrophobicContact SD-CD1 3.65Å; M114-L134 HydrophobicContact SD-CD2 4.39Å; M114-L134 HydrophobicContact SD-CG 4.18Å; M129-L134 HydrophobicContact CE-CD2 4.38Å; D131-L134 WeakPolarHBondContact O-CB 3.44Å; D131-L134 PolarHBondContact O-N 3.35Å; L134-D136 PolarHBondContact O-N 3.43Å | ||
| 135 | A | 58.4 | Low | 59.3 | Low | 60 Ų | 60 | 130.3 Ų | 130.3 | 50% | 0.496 | 64% | 0.636 | S | S | . | * | trans | -53.1 | 130.5 | 161.8 | 0 | 0 | 0 | 0 | 0 | 107 | F133 F137 | F133-A135 PolarHBondContact O-N 3.34Å; A135-F137 HydrophobicContact CB-CE2 4.46Å; A135-F137 VanDerWaalsContact O-CD2 3.29Å; A135-F137 WeakPolarHBondContact O-CD2 3.47Å; A135-F137 PolarHBondContact O-N 3.28Å | ||
| 136 | D | 57.4 | Low | 57.7 | Low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 64% | 0.635 | S | S | * | * | trans | -58.5 | 91.5 | 169.3 | -67.8 | -37.2 | 0 | 0 | 0 | 106.9 | L134 I138 | L134-D136 PolarHBondContact O-N 3.43Å; D136-I138 PolarHBondContact O-N 3.48Å | ||
| 137 | F | 55.1 | Low | 55.9 | Low | 179 Ų | 179 | 127.8 Ų | 127.8 | 79% | 0.785 | 63% | 0.631 | S | S | * | * | trans | -67.6 | 88.7 | 165.5 | -78.4 | -85.2 | 0 | 0 | 0 | 104.8 | A135 Q139 | A135-F137 HydrophobicContact CB-CE2 4.46Å; A135-F137 VanDerWaalsContact O-CD2 3.29Å; A135-F137 WeakPolarHBondContact O-CD2 3.47Å; A135-F137 PolarHBondContact O-N 3.28Å; F137-Q139 PolarHBondContact O-N 3.34Å | ||
| 138 | I | 54.1 | Low | 54.9 | Low | 136 Ų | 136 | 131.1 Ų | 131.1 | 70% | 0.697 | 65% | 0.653 | S | S | * | * | trans | -57.9 | 100.3 | 156.5 | -59.5 | 173.9 | 0 | 0 | 0 | 103.2 | D136 D140 | D136-I138 PolarHBondContact O-N 3.48Å; I138-D140 PolarHBondContact O-N 3.04Å | ||
| 139 | Q | 53 | Low | 53.8 | Low | 136 Ų | 136 | 127.8 Ų | 127.8 | 64% | 0.636 | 65% | 0.649 | S | S | * | * | trans | -66.3 | 93.2 | 168.7 | -154.9 | 170.5 | 41.2 | 0 | 0 | 103.4 | E109 F137 K141 | E109-Q139 PolarHBondContact OE2-NE2 2.89Å; F137-Q139 PolarHBondContact O-N 3.34Å; Q139-K141 PolarHBondContact O-N 3.47Å | ||
| 140 | D | 46.9 | Very low | 52.8 | Low | 125 Ų | 125 | 129.5 Ų | 129.5 | 67% | 0.668 | 66% | 0.659 | S | S | * | * | trans | -54.4 | 103.1 | 164.6 | -78.8 | -30.2 | 0 | 0 | 0 | 104.7 | I138 E142 | I138-D140 PolarHBondContact O-N 3.04Å; D140-E142 HydrophobicContact CB-CG 4.49Å; D140-E142 PolarHBondContact O-N 3.43Å | ||
| 141 | K | 48.3 | Very low | 51.8 | Low | 178 Ų | 178 | 133.6 Ų | 133.6 | 77% | 0.774 | 68% | 0.675 | S | S | * | * | trans | -70.8 | 59.6 | 167.9 | -75 | -175.2 | 176.4 | -179.4 | 0 | 107.4 | Q139 N143 | Q139-K141 PolarHBondContact O-N 3.47Å; K141-N143 VanDerWaalsContact C-N 3.26Å; K141-N143 PolarHBondContact O-N 3.46Å; K141-N143 VanDerWaalsContact O-N 3.16Å | ||
| 142 | E | 46.7 | Very low | 51.1 | Low | 148 Ų | 148 | 132 Ų | 132 | 69% | 0.692 | 67% | 0.669 | S | S | * | * | trans | -75.9 | 95.4 | 156.2 | -71.7 | -173.4 | 168.1 | 0 | 0 | 104.8 | D140 E144 | D140-E142 HydrophobicContact CB-CG 4.49Å; D140-E142 PolarHBondContact O-N 3.43Å; E142-E144 HydrophobicContact CB-CG 4.21Å; E142-E144 PolarHBondContact O-N 3.27Å | ||
| 143 | N | 42 | Very low | 50.7 | Low | 152 Ų | 152 | 129.5 Ų | 129.5 | 81% | 0.813 | 66% | 0.657 | S | S | * | * | trans | -61.1 | 74.6 | 156.8 | -64.9 | -36 | 0 | 0 | 0 | 106.9 | K141 D145 | K141-N143 VanDerWaalsContact C-N 3.26Å; K141-N143 PolarHBondContact O-N 3.46Å; K141-N143 VanDerWaalsContact O-N 3.16Å; N143-D145 PolarHBondContact O-N 3.12Å | ||
| 144 | E | 45.2 | Very low | 50.6 | Low | 125 Ų | 125 | 126 Ų | 126 | 58% | 0.584 | 64% | 0.642 | S | S | * | * | trans | -78.7 | 105.9 | 162.2 | -74.9 | -97.2 | 141.5 | 0 | 0 | 105 | E142 F146 | E142-E144 HydrophobicContact CB-CG 4.21Å; E142-E144 PolarHBondContact O-N 3.27Å; E144-F146 HydrophobicContact CB-CD2 4.1Å; E144-F146 HydrophobicContact CB-CE2 3.63Å; E144-F146 HydrophobicContact CB-CZ 4.02Å; E144-F146 WeakPolarHBondContact O-CD2 3.37Å; E144-F146 PolarHBondContact O-N 3.08Å | ||
| 145 | D | 42.7 | Very low | 50.7 | Low | 161 Ų | 161 | 127.8 Ų | 127.8 | 86% | 0.861 | 66% | 0.655 | S | S | * | * | trans | -57.3 | 87.9 | 165.9 | -75.3 | -43.2 | 0 | 0 | 0 | 108 | N143 P147 | N143-D145 PolarHBondContact O-N 3.12Å; D145-P147 WeakPolarHBondContact O-CD 3.35Å | ||
| 146 | F | 39 | Very low | 51.3 | Low | 146 Ų | 146 | 131.1 Ų | 131.1 | 64% | 0.64 | 66% | 0.658 | S | S | * | * | trans | -71 | 114.4 | 173.7 | -76.2 | -81.6 | 0 | 0 | 0 | 108.3 | E144 L148 | E144-F146 HydrophobicContact CB-CD2 4.1Å; E144-F146 HydrophobicContact CB-CE2 3.63Å; E144-F146 HydrophobicContact CB-CZ 4.02Å; E144-F146 WeakPolarHBondContact O-CD2 3.37Å; E144-F146 PolarHBondContact O-N 3.08Å; F146-L148 PolarHBondContact O-N 2.97Å | ||
| 147 | P | 40.3 | Very low | 51.9 | Low | 103 Ų | 103 | 131.7 Ų | 131.7 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | trans | -62.1 | 137.5 | 170.4 | 27.1 | -31.5 | 0 | 0 | 0 | 108.6 | D145 D149 | D145-P147 WeakPolarHBondContact O-CD 3.35Å; P147-D149 PolarHBondContact O-N 3.05Å | ||
| 148 | L | 48.1 | Very low | 52.7 | Low | 185 Ų | 185 | 128.6 Ų | 128.6 | 97% | 0.969 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -65.6 | 65.9 | -173.7 | -147.9 | 116.4 | 0 | 0 | 0 | 112 | F146 | F146-L148 PolarHBondContact O-N 2.97Š|
| 149 | D | 47.1 | Very low | 53.4 | Low | 105 Ų | 105 | 128 Ų | 128 | 56% | 0.561 | 64% | 0.635 | S | S | * | * | trans | -134.8 | 9.1 | -178.1 | -140.6 | 1.3 | 0 | 0 | 0 | 113.7 | P147 E151 T152 | P147-D149 PolarHBondContact O-N 3.05Å; D149-E151 VanDerWaalsContact C-N 3.27Å; D149-E151 PolarHBondContact O-N 2.93Å; D149-E151 VanDerWaalsContact O-N 3.17Å; D149-T152 PolarHBondContact O-N 3.09Å; D149-T152 PolarHBondContact O-OG1 2.66Å | ||
| 150 | D | 48.3 | Very low | 54.1 | Low | 104 Ų | 104 | 123.9 Ų | 123.9 | 56% | 0.556 | 62% | 0.621 | S | S | * | * | H | α-helix | trans | -65 | -17.5 | -173.6 | -82.7 | -23.5 | 0 | 0 | 0 | 115.4 | T152 D153 E154 | D150-T152 VanDerWaalsContact C-N 3.3Å; D150-T152 PolarHBondContact O-N 2.72Å; D150-D153 PolarHBondContact O-N 3.21Å; D150-E154 PolarHBondContact O-N 3Å |
| 151 | E | 49.3 | Very low | 55.3 | Low | 174 Ų | 174 | 122 Ų | 122 | 81% | 0.813 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -70.4 | -27.5 | 175.8 | -74.6 | -171 | 157.7 | 0 | 0 | 112.4 | D149 T155 | D149-E151 VanDerWaalsContact C-N 3.27Å; D149-E151 PolarHBondContact O-N 2.93Å; D149-E151 VanDerWaalsContact O-N 3.17Å; E151-T155 PolarHBondContact O-OG1 2.96Å; E151-T155 VanDerWaalsContact O-OG1 3.08Å |
| 152 | T | 53.1 | Low | 56.1 | Low | 60 Ų | 60 | 115.7 Ų | 115.7 | 37% | 0.368 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -81.2 | -26.7 | 178.2 | 65.2 | 0 | 0 | 0 | 0 | 112.8 | D149 D150 T155 K156 | D149-T152 PolarHBondContact O-N 3.09Å; D149-T152 PolarHBondContact O-OG1 2.66Å; D150-T152 VanDerWaalsContact C-N 3.3Å; D150-T152 PolarHBondContact O-N 2.72Å; T152-T155 PolarHBondContact O-OG1 3.5Å; T152-T155 VanDerWaalsContact O-OG1 3.06Å; T152-K156 WeakPolarHBondContact O-CB 3.42Å; T152-K156 WeakPolarHBondContact O-CG 3.37Å; T152-K156 PolarHBondContact O-N 2.85Å |
| 153 | D | 60.7 | Low | 57 | Low | 96 Ų | 96 | 115.6 Ų | 115.6 | 51% | 0.513 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -83.4 | -32.9 | 178.8 | -93 | -1.6 | 0 | 0 | 0 | 112.6 | D150 K156 R157 | D150-D153 PolarHBondContact O-N 3.21Å; D153-K156 PolarHBondContact O-N 2.95Å; D153-K156 IonicContact OD1-NZ 3.99Å; D153-R157 WeakPolarHBondContact O-CB 3.44Å; D153-R157 PolarHBondContact O-N 3.46Å |
| 154 | E | 63.7 | Low | 58.2 | Low | 87 Ų | 87 | 115.2 Ų | 115.2 | 41% | 0.407 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -68.5 | -38.6 | 174.3 | -176.1 | 56.1 | -155.2 | 0 | 0 | 111.7 | D150 R157 Q158 | D150-E154 PolarHBondContact O-N 3Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.49Å; E154-Q158 WeakPolarHBondContact O-CB 3.35Å; E154-Q158 VanDerWaalsContact O-CG 3.29Å; E154-Q158 WeakPolarHBondContact O-CG 3.44Å; E154-Q158 PolarHBondContact O-N 3.26Å; E154-Q158 PolarHBondContact OE1-NE2 2.79Å |
| 155 | T | 66.4 | Low | 59 | Low | 76 Ų | 76 | 114.7 Ų | 114.7 | 47% | 0.466 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -67.2 | -41.1 | 174.4 | 49.9 | 0 | 0 | 0 | 0 | 112.3 | E151 T152 R157 Q158 L159 | E151-T155 PolarHBondContact O-OG1 2.96Å; E151-T155 VanDerWaalsContact O-OG1 3.08Å; T152-T155 PolarHBondContact O-OG1 3.5Å; T152-T155 VanDerWaalsContact O-OG1 3.06Å; T155-R157 VanDerWaalsContact C-N 3.32Å; T155-R157 PolarHBondContact O-N 2.88Å; T155-Q158 PolarHBondContact O-N 3.06Å; T155-L159 WeakPolarHBondContact O-CB 3.4Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.23Å |
| 156 | K | 69.7 | Low | 59.8 | Low | 129 Ų | 129 | 112 Ų | 112 | 56% | 0.561 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -62.2 | -37.3 | 170.1 | -80.8 | 174.8 | -173.2 | 159.2 | 0 | 112.6 | T152 D153 L159 S160 | T152-K156 WeakPolarHBondContact O-CB 3.42Å; T152-K156 WeakPolarHBondContact O-CG 3.37Å; T152-K156 PolarHBondContact O-N 2.85Å; D153-K156 PolarHBondContact O-N 2.95Å; D153-K156 IonicContact OD1-NZ 3.99Å; K156-L159 PolarHBondContact O-N 2.95Å; K156-S160 WeakPolarHBondContact O-CB 3.42Å; K156-S160 PolarHBondContact O-N 3.33Å |
| 157 | R | 70.7 | Confident | 60.1 | Low | 161 Ų | 161 | 107.5 Ų | 107.5 | 61% | 0.608 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -68.2 | -42.1 | 178.4 | -163.8 | 172.6 | -169.9 | -106.5 | 2.6 | 111.1 | D153 E154 T155 S160 I161 | D153-R157 WeakPolarHBondContact O-CB 3.44Å; D153-R157 PolarHBondContact O-N 3.46Å; E154-R157 WeakPolarHBondContact O-CB 3.44Å; E154-R157 PolarHBondContact O-N 3.49Å; T155-R157 VanDerWaalsContact C-N 3.32Å; T155-R157 PolarHBondContact O-N 2.88Å; R157-S160 PolarHBondContact O-N 3.03Å; R157-I161 HydrophobicContact CG-CD1 4.43Å; R157-I161 WeakPolarHBondContact O-CD1 3.36Å; R157-I161 VanDerWaalsContact O-CG1 3.23Å; R157-I161 WeakPolarHBondContact O-CG1 3.34Å; R157-I161 PolarHBondContact O-N 3.41Å |
| 158 | Q | 72.7 | Confident | 60.3 | Low | 114 Ų | 114 | 111.6 Ų | 111.6 | 53% | 0.533 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -42.2 | 173.7 | -71.1 | 177.8 | 13 | 0 | 0 | 111.9 | E154 T155 I161 A162 | E154-Q158 WeakPolarHBondContact O-CB 3.35Å; E154-Q158 VanDerWaalsContact O-CG 3.29Å; E154-Q158 WeakPolarHBondContact O-CG 3.44Å; E154-Q158 PolarHBondContact O-N 3.26Å; E154-Q158 PolarHBondContact OE1-NE2 2.79Å; T155-Q158 PolarHBondContact O-N 3.06Å; Q158-I161 PolarHBondContact O-N 2.92Å; Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 3.27Å |
| 159 | L | 68.4 | Low | 59.9 | Low | 122 Ų | 122 | 107.4 Ų | 107.4 | 64% | 0.639 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -64.2 | -39.6 | 173.5 | -79 | 165.2 | 0 | 0 | 0 | 112.4 | T155 K156 A162 E163 | T155-L159 WeakPolarHBondContact O-CB 3.4Å; T155-L159 WeakPolarHBondContact O-CG 3.43Å; T155-L159 PolarHBondContact O-N 3.23Å; K156-L159 PolarHBondContact O-N 2.95Å; L159-A162 PolarHBondContact O-N 2.86Å; L159-E163 VanDerWaalsContact O-CB 3.24Å; L159-E163 WeakPolarHBondContact O-CB 3.37Å; L159-E163 PolarHBondContact O-N 3.44Å |
| 160 | S | 67.9 | Low | 59.6 | Low | 50 Ų | 50 | 110.4 Ų | 110.4 | 35% | 0.35 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -67.9 | -34.2 | 176 | -173.6 | 0 | 0 | 0 | 0 | 112.6 | K156 R157 K164 | K156-S160 WeakPolarHBondContact O-CB 3.42Å; K156-S160 PolarHBondContact O-N 3.33Å; R157-S160 PolarHBondContact O-N 3.03Å; S160-K164 WeakPolarHBondContact O-CB 3.43Å; S160-K164 WeakPolarHBondContact O-CG 3.45Å; S160-K164 PolarHBondContact O-N 2.95Å |
| 161 | I | 70.6 | Confident | 59 | Low | 86 Ų | 86 | 110.2 Ų | 110.2 | 44% | 0.441 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -68.8 | -45 | 172.4 | -68.6 | 164.5 | 0 | 0 | 0 | 109.9 | R157 Q158 K164 I165 | R157-I161 HydrophobicContact CG-CD1 4.43Å; R157-I161 WeakPolarHBondContact O-CD1 3.36Å; R157-I161 VanDerWaalsContact O-CG1 3.23Å; R157-I161 WeakPolarHBondContact O-CG1 3.34Å; R157-I161 PolarHBondContact O-N 3.41Å; Q158-I161 PolarHBondContact O-N 2.92Å; I161-K164 PolarHBondContact O-N 3.42Å; I161-I165 HydrophobicContact CG2-CD1 3.73Å; I161-I165 WeakPolarHBondContact O-CD1 3.37Å; I161-I165 WeakPolarHBondContact O-CG1 3.04Å; I161-I165 PolarHBondContact O-N 2.95Å |
| 162 | A | 64.8 | Low | 58.3 | Low | 46 Ų | 46 | 108 Ų | 108 | 38% | 0.38 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62 | -44.1 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q158 L159 K164 I165 V166 | Q158-A162 WeakPolarHBondContact O-CB 3.44Å; Q158-A162 PolarHBondContact O-N 3.27Å; L159-A162 PolarHBondContact O-N 2.86Å; A162-K164 VanDerWaalsContact C-N 3.35Å; A162-K164 PolarHBondContact O-N 3.13Å; A162-I165 PolarHBondContact O-N 3.39Å; A162-I165 VanDerWaalsContact O-N 3.16Å; A162-V166 WeakPolarHBondContact O-CB 3.31Å; A162-V166 VanDerWaalsContact O-CG2 3.22Å; A162-V166 WeakPolarHBondContact O-CG2 3.49Å; A162-V166 PolarHBondContact O-N 2.98Å |
| 163 | E | 66.7 | Low | 57.4 | Low | 145 Ų | 145 | 115.6 Ų | 115.6 | 68% | 0.678 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -65.1 | -35.2 | 176.5 | -169.1 | 179.2 | -159.4 | 0 | 0 | 112 | L159 G167 | L159-E163 VanDerWaalsContact O-CB 3.24Å; L159-E163 WeakPolarHBondContact O-CB 3.37Å; L159-E163 PolarHBondContact O-N 3.44Å; E163-G167 WeakPolarHBondContact O-CA 3.43Å; E163-G167 PolarHBondContact O-N 3.36Å |
| 164 | K | 66.6 | Low | 56 | Low | 145 Ų | 145 | 116.2 Ų | 116.2 | 63% | 0.63 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.9 | -34.3 | 171.7 | -82.8 | 174 | 179.2 | 167.2 | 0 | 113.2 | S160 I161 A162 F168 | S160-K164 WeakPolarHBondContact O-CB 3.43Å; S160-K164 WeakPolarHBondContact O-CG 3.45Å; S160-K164 PolarHBondContact O-N 2.95Å; I161-K164 PolarHBondContact O-N 3.42Å; A162-K164 VanDerWaalsContact C-N 3.35Å; A162-K164 PolarHBondContact O-N 3.13Å; K164-F168 WeakPolarHBondContact O-CD2 3.29Å; K164-F168 PolarHBondContact O-N 2.99Å |
| 165 | I | 62.6 | Low | 54.7 | Low | 114 Ų | 114 | 121.9 Ų | 121.9 | 59% | 0.585 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -74.7 | -40.4 | 177.7 | -66.9 | 164.5 | 0 | 0 | 0 | 110.1 | I161 A162 | I161-I165 HydrophobicContact CG2-CD1 3.73Å; I161-I165 WeakPolarHBondContact O-CD1 3.37Å; I161-I165 WeakPolarHBondContact O-CG1 3.04Å; I161-I165 PolarHBondContact O-N 2.95Å; A162-I165 PolarHBondContact O-N 3.39Å; A162-I165 VanDerWaalsContact O-N 3.16Å |
| 166 | V | 58.7 | Low | 53 | Low | 105 Ų | 105 | 122.5 Ų | 122.5 | 64% | 0.636 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -75.8 | -38.7 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 111.4 | A162 F168 V169 | A162-V166 WeakPolarHBondContact O-CB 3.31Å; A162-V166 VanDerWaalsContact O-CG2 3.22Å; A162-V166 WeakPolarHBondContact O-CG2 3.49Å; A162-V166 PolarHBondContact O-N 2.98Å; V166-F168 VanDerWaalsContact C-N 3.27Å; V166-F168 PolarHBondContact O-N 2.92Å; V166-V169 PolarHBondContact O-N 3.03Å; V166-V169 VanDerWaalsContact O-N 3.08Å |
| 167 | G | 45.4 | Very low | 51.2 | Low | 51 Ų | 51 | 123.6 Ų | 123.6 | 53% | 0.526 | 66% | 0.656 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -73.2 | -12.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | E163 | E163-G167 WeakPolarHBondContact O-CA 3.43Å; E163-G167 PolarHBondContact O-N 3.36Å |
| 168 | F | 44.8 | Very low | 49.8 | Very low | 188 Ų | 188 | 125.2 Ų | 125.2 | 83% | 0.825 | 67% | 0.668 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -5.9 | 167.6 | -111.2 | -89.4 | 0 | 0 | 0 | 113.1 | K164 V166 | K164-F168 WeakPolarHBondContact O-CD2 3.29Å; K164-F168 PolarHBondContact O-N 2.99Å; V166-F168 VanDerWaalsContact C-N 3.27Å; V166-F168 PolarHBondContact O-N 2.92Å |
| 169 | V | 39.8 | Very low | 47.9 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 59% | 0.594 | 68% | 0.677 | S | S | * | * | trans | -104.2 | 53.7 | 173.1 | -165.7 | 0 | 0 | 0 | 0 | 108.7 | V166 P171 | V166-V169 PolarHBondContact O-N 3.03Å; V166-V169 VanDerWaalsContact O-N 3.08Å; V169-P171 VanDerWaalsContact O-CD 3.26Å; V169-P171 WeakPolarHBondContact O-CD 3.41Å | ||
| 170 | E | 41.2 | Very low | 46.4 | Very low | 167 Ų | 167 | 126.4 Ų | 126.4 | 78% | 0.78 | 68% | 0.682 | S | S | * | * | trans | -74.4 | 116.6 | 160.2 | -100.4 | -167.1 | 163 | 0 | 0 | 108.2 | S172 | E170-S172 PolarHBondContact O-N 3.24Š| ||
| 171 | P | 35.9 | Very low | 44.9 | Very low | 100 Ų | 100 | 130.5 Ų | 130.5 | 65% | 0.649 | 70% | 0.7 | S | S | * | * | trans | -66.9 | 109.5 | 170.4 | 27.6 | -29 | 0 | 0 | 0 | 106.5 | V169 R173 | V169-P171 VanDerWaalsContact O-CD 3.26Å; V169-P171 WeakPolarHBondContact O-CD 3.41Å; P171-R173 PolarHBondContact O-N 2.97Å | ||
| 172 | S | 33.5 | Very low | 43.3 | Very low | 129 Ų | 129 | 131.5 Ų | 131.5 | 90% | 0.902 | 72% | 0.715 | S | S | * | * | trans | -56.9 | 82.8 | 171.8 | -86.2 | 0 | 0 | 0 | 0 | 110.3 | E170 S174 | E170-S172 PolarHBondContact O-N 3.24Å; S172-S174 PolarHBondContact O-N 3.42Å; S172-S174 VanDerWaalsContact O-N 3.16Å | ||
| 173 | R | 34.4 | Very low | 41.7 | Very low | 218 Ų | 218 | 133.8 Ų | 133.8 | 82% | 0.823 | 73% | 0.734 | S | S | * | * | trans | -79.2 | 90.5 | 165 | -79.7 | -173.8 | 163.5 | -170.5 | -3 | 107.3 | P171 K175 | P171-R173 PolarHBondContact O-N 2.97Å; R173-K175 PolarHBondContact O-N 3.01Å | ||
| 174 | S | 30.8 | Very low | 40.2 | Very low | 109 Ų | 109 | 132.8 Ų | 132.8 | 76% | 0.762 | 74% | 0.743 | S | S | * | * | trans | 22.6 | 96.6 | 137.3 | 60.3 | 0 | 0 | 0 | 0 | 115.8 | S172 | S172-S174 PolarHBondContact O-N 3.42Å; S172-S174 VanDerWaalsContact O-N 3.16Å | ||
| 175 | K | 37 | Very low | 39 | Very low | 207 Ų | 207 | 130 Ų | 130 | 90% | 0.9 | 75% | 0.747 | S | S | * | * | trans | -137.1 | 102.6 | 144.7 | -74.8 | -159.2 | 177.3 | -179.9 | 0 | 109.7 | R173 | R173-K175 PolarHBondContact O-N 3.01Š| ||
| 176 | A | 31.3 | Very low | 37.8 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 76% | 0.762 | S | S | * | * | trans | -60.7 | 156.5 | 158.4 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 177 | D | 32.3 | Very low | 36.6 | Very low | 151 Ų | 151 | 140.9 Ų | 140.9 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | trans | 70.4 | 93.1 | 170 | -64.4 | -19.1 | 0 | 0 | 0 | 117.8 | ||||
| 178 | K | 40.1 | Very low | 36.4 | Very low | 195 Ų | 195 | 143.8 Ų | 143.8 | 85% | 0.848 | 79% | 0.787 | S | S | * | * | -178.9 | 103.6 | 109.3 | -95.9 | 161.2 | -177.7 | 178.5 | 0 | 111.3 | |||||
| 179 | T | 32.1 | Very low | 36.3 | Very low | 119 Ų | 119 | 147.2 Ų | 147.2 | 73% | 0.73 | 79% | 0.794 | S | S | * | * | 28.2 | 127.1 | 126.6 | 50.2 | 0 | 0 | 0 | 0 | 119.4 | |||||
| 180 | L | 37.3 | Very low | 36.4 | Very low | 143 Ų | 143 | 147.6 Ų | 147.6 | 75% | 0.749 | 80% | 0.801 | S | S | * | * | trans | 81.9 | 99.7 | 141 | -64.6 | 161.2 | 0 | 0 | 0 | 118 | ||||
| 181 | N | 36.2 | Very low | 36.7 | Very low | 136 Ų | 136 | 143.8 Ų | 143.8 | 73% | 0.727 | 80% | 0.799 | S | S | * | * | 154.9 | 117.3 | 94.8 | -86.5 | -20.1 | 0 | 0 | 0 | 113.6 | |||||
| 182 | S | 37.1 | Very low | 37.5 | Very low | 106 Ų | 106 | 147.8 Ų | 147.8 | 74% | 0.741 | 81% | 0.806 | S | S | * | * | trans | 31.5 | 116.5 | 136.8 | 67.5 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 183 | A | 32.5 | Very low | 38 | Very low | 94 Ų | 94 | 148 Ų | 148 | 78% | 0.777 | 80% | 0.802 | S | S | * | * | 145.2 | 136.1 | 92.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | |||||
| 184 | S | 35.5 | Very low | 38.8 | Very low | 124 Ų | 124 | 142.5 Ų | 142.5 | 87% | 0.867 | 78% | 0.784 | S | S | * | * | trans | 84.2 | 113.4 | 148.6 | -154.2 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 185 | A | 41.1 | Very low | 39.8 | Very low | 87 Ų | 87 | 141.9 Ų | 141.9 | 72% | 0.719 | 78% | 0.777 | S | S | * | * | trans | 137.9 | 92.6 | 136.3 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 186 | R | 36.3 | Very low | 40.4 | Very low | 239 Ų | 239 | 140.6 Ų | 140.6 | 90% | 0.902 | 78% | 0.779 | S | S | * | * | 68.9 | 107.4 | 96.6 | -82 | -174.6 | 163.6 | -172.1 | -2.9 | 114.7 | |||||
| 187 | K | 35.2 | Very low | 41.7 | Very low | 209 Ų | 209 | 139.7 Ų | 139.7 | 91% | 0.909 | 78% | 0.778 | S | S | * | * | trans | 46.7 | 94.5 | 138.7 | -80.3 | 172.8 | 169.9 | 175.2 | 0 | 117.1 | ||||
| 188 | S | 40.5 | Very low | 43.1 | Very low | 112 Ų | 112 | 136.6 Ų | 136.6 | 78% | 0.783 | 76% | 0.764 | S | S | * | * | trans | -139 | 112.5 | 137.8 | 55.6 | 0 | 0 | 0 | 0 | 108.7 | S190 | S188-S190 VanDerWaalsContact C-N 3.33Å; S188-S190 PolarHBondContact O-N 3.4Å; S188-S190 VanDerWaalsContact O-N 3.15Å | ||
| 189 | R | 42.1 | Very low | 44.7 | Very low | 259 Ų | 259 | 138 Ų | 138 | 98% | 0.977 | 76% | 0.764 | S | S | * | * | trans | -75.1 | 91.8 | 164.6 | -79.4 | 177.7 | 164.9 | -179.9 | -5.9 | 105.7 | A191 | R189-A191 PolarHBondContact O-N 3.49Š| ||
| 190 | S | 43 | Very low | 46.9 | Very low | 106 Ų | 106 | 138 Ų | 138 | 74% | 0.741 | 75% | 0.751 | S | S | * | * | trans | -69.4 | 120.1 | 167.3 | 45.7 | 0 | 0 | 0 | 0 | 108.3 | S188 K192 | S188-S190 VanDerWaalsContact C-N 3.33Å; S188-S190 PolarHBondContact O-N 3.4Å; S188-S190 VanDerWaalsContact O-N 3.15Å; S190-K192 PolarHBondContact O-N 2.98Å | ||
| 191 | A | 46.8 | Very low | 48.9 | Very low | 87 Ų | 87 | 134.5 Ų | 134.5 | 72% | 0.719 | 73% | 0.734 | S | S | * | * | trans | -57.4 | 129 | 170 | 0 | 0 | 0 | 0 | 0 | 108.4 | R189 T193 | R189-A191 PolarHBondContact O-N 3.49Å; A191-T193 PolarHBondContact O-N 3.41Å | ||
| 192 | K | 51.6 | Low | 50.9 | Low | 185 Ų | 185 | 131.2 Ų | 131.2 | 80% | 0.804 | 72% | 0.72 | S | S | * | * | trans | -67.4 | 95.9 | 172.5 | -76.5 | 174.7 | 176.3 | 175.7 | 0 | 108.3 | S190 F194 | S190-K192 PolarHBondContact O-N 2.98Å; K192-F194 PolarHBondContact O-N 3.03Å | ||
| 193 | T | 45.6 | Very low | 53 | Low | 134 Ų | 134 | 134 Ų | 134 | 82% | 0.822 | 72% | 0.721 | S | S | * | * | trans | -69.9 | 111.6 | 167.7 | -23.2 | 0 | 0 | 0 | 0 | 107.4 | A191 | A191-T193 PolarHBondContact O-N 3.41Š| ||
| 194 | F | 50.7 | Low | 55.3 | Low | 101 Ų | 101 | 132.1 Ų | 132.1 | 44% | 0.443 | 70% | 0.698 | S | S | . | * | trans | -71.1 | 148.1 | 169.5 | -77.1 | -88 | 0 | 0 | 0 | 109.5 | K192 I196 F210 | K192-F194 PolarHBondContact O-N 3.03Å; F194-I196 PolarHBondContact O-N 2.83Å; F194-F210 HydrophobicContact CE2-CE1 4.36Å; F194-F210 HydrophobicContact CE2-CE2 4.18Å; F194-F210 AromaticContact CE2-CZ 3.59Å; F194-F210 HydrophobicContact CE2-CZ 3.59Å; F194-F210 AromaticContact CZ-CE2 3.9Å; F194-F210 HydrophobicContact CZ-CE2 3.9Å; F194-F210 AromaticContact CZ-CZ 3.6Å; F194-F210 HydrophobicContact CZ-CZ 3.6Å | ||
| 195 | P | 50.9 | Low | 57.4 | Low | 96 Ų | 96 | 130.8 Ų | 130.8 | 62% | 0.623 | 69% | 0.687 | S | S | * | * | trans | -57.3 | 126.1 | 170.5 | 23.5 | -30.8 | 0 | 0 | 0 | 109.1 | G197 V198 | P195-G197 PolarHBondContact O-N 2.89Å; P195-V198 HydrophobicContact CG-CG2 4.09Å | ||
| 196 | I | 50.8 | Low | 59.1 | Low | 181 Ų | 181 | 128.4 Ų | 128.4 | 93% | 0.928 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57 | 110.9 | 175.2 | -63.9 | 165.5 | 0 | 0 | 0 | 107.2 | F194 | F194-I196 PolarHBondContact O-N 2.83Š|
| 197 | G | 58.4 | Low | 61.1 | Low | 69 Ų | 69 | 118.1 Ų | 118.1 | 71% | 0.711 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 138.1 | -10.3 | 176 | 0 | 0 | 0 | 0 | 0 | 117 | P195 R199 | P195-G197 PolarHBondContact O-N 2.89Å; G197-R199 PolarHBondContact O-N 2.99Å |
| 198 | V | 61.1 | Low | 62.9 | Low | 87 Ų | 87 | 112.5 Ų | 112.5 | 53% | 0.527 | 60% | 0.604 | S | S | . | * | trans | -74.4 | 112 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 109.9 | P195 | P195-V198 HydrophobicContact CG-CG2 4.09Š| ||
| 199 | R | 73.3 | Confident | 64.5 | Low | 225 Ų | 225 | 114.9 Ų | 114.9 | 85% | 0.849 | 60% | 0.595 | S | S | * | * | trans | -70 | 140.7 | 171.7 | -67.8 | -177.8 | 176.9 | -127.6 | 0.1 | 109.4 | G197 D201 H207 | G197-R199 PolarHBondContact O-N 2.99Å; R199-D201 PolarHBondContact O-N 3Å; R199-H207 PolarHBondContact O-CE1 3.36Å; R199-H207 VanDerWaalsContact O-CE1 3.28Å | ||
| 200 | Y | 79.3 | Confident | 65.6 | Low | 117 Ų | 117 | 108 Ų | 108 | 46% | 0.459 | 57% | 0.573 | S | S | . | * | trans | -57.1 | 134.3 | 170.9 | -175.8 | -97 | 0 | 0 | 0 | 110.1 | P202 H207 E211 | Y200-P202 HydrophobicContact CE1-CB 4.09Å; Y200-H207 HydrophobicContact CD2-CB 4.01Å; Y200-H207 HydrophobicContact CE2-CB 3.74Å; Y200-E211 WeakPolarHBondContact OH-CG 3.38Å; Y200-E211 PolarHBondContact OH-OE1 2.93Å | ||
| 201 | D | 79.4 | Confident | 66.8 | Low | 70 Ų | 70 | 107.1 Ų | 107.1 | 37% | 0.374 | 56% | 0.557 | S | S | . | * | trans | -132.9 | 107.9 | -177.8 | -179.1 | 3.8 | 0 | 0 | 0 | 107.6 | R199 E203 N204 H207 | R199-D201 PolarHBondContact O-N 3Å; D201-E203 PolarHBondContact O-N 2.87Å; D201-E203 PolarHBondContact OD1-N 2.81Å; D201-E203 VanDerWaalsContact OD1-N 3.14Å; D201-N204 HydrophobicContact CB-CB 4.03Å; D201-N204 PolarHBondContact O-N 2.72Å; D201-H207 WeakPolarHBondContact CB-ND1 3.5Å; D201-H207 PolarHBondContact N-ND1 3.26Å; D201-H207 WeakPolarHBondContact O-CB 3.41Å; D201-H207 PolarHBondContact O-ND1 2.8Å | ||
| 202 | P | 77.7 | Confident | 67.6 | Low | 68 Ų | 68 | 111.1 Ų | 111.1 | 44% | 0.442 | 57% | 0.566 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.3 | -20.6 | -176.8 | 26.1 | -32.8 | 0 | 0 | 0 | 113.4 | Y200 N204 Q208 | Y200-P202 HydrophobicContact CE1-CB 4.09Å; P202-N204 VanDerWaalsContact C-N 3.32Å; P202-Q208 PolarHBondContact O-NE2 2.88Å |
| 203 | E | 82.3 | Confident | 68.1 | Low | 164 Ų | 164 | 109.3 Ų | 109.3 | 77% | 0.766 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -10.8 | 178 | -59.4 | -60.4 | 153.9 | 0 | 0 | 112.4 | D201 P205 | D201-E203 PolarHBondContact O-N 2.87Å; D201-E203 PolarHBondContact OD1-N 2.81Å; D201-E203 VanDerWaalsContact OD1-N 3.14Å; E203-P205 WeakPolarHBondContact O-CD 3.45Å |
| 204 | N | 79.7 | Confident | 68.7 | Low | 54 Ų | 54 | 108.7 Ų | 108.7 | 29% | 0.289 | 56% | 0.558 | S | S | . | * | trans | -90.1 | 114.1 | 177.5 | -169.4 | -27.3 | 0 | 0 | 0 | 110.2 | D201 P202 S206 H207 Q208 | D201-N204 HydrophobicContact CB-CB 4.03Å; D201-N204 PolarHBondContact O-N 2.72Å; P202-N204 VanDerWaalsContact C-N 3.32Å; N204-S206 VanDerWaalsContact CG-OG 3.28Å; N204-S206 PolarHBondContact ND2-OG 3.42Å; N204-S206 PolarHBondContact O-N 3.11Å; N204-S206 VanDerWaalsContact OD1-CB 3.23Å; N204-S206 WeakPolarHBondContact OD1-CB 3.44Å; N204-S206 PolarHBondContact OD1-N 3.05Å; N204-S206 PolarHBondContact OD1-OG 2.81Å; N204-H207 HydrophobicContact CB-CB 4.41Å; N204-H207 PolarHBondContact O-N 3.16Å; N204-Q208 PolarHBondContact O-N 3.1Å | ||
| 205 | P | 79.3 | Confident | 68.4 | Low | 97 Ų | 97 | 108.8 Ų | 108.8 | 63% | 0.63 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -61.2 | -20.8 | -179.3 | 24.3 | -33.5 | 0 | 0 | 0 | 112.7 | E203 H207 | E203-P205 WeakPolarHBondContact O-CD 3.45Å; P205-H207 VanDerWaalsContact C-N 3.28Å; P205-H207 PolarHBondContact O-N 2.8Å |
| 206 | S | 77.3 | Confident | 68.2 | Low | 37 Ų | 37 | 109.7 Ų | 109.7 | 26% | 0.259 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -77.7 | -10.5 | 175.6 | 85.4 | 0 | 0 | 0 | 0 | 113.8 | N204 R209 | N204-S206 VanDerWaalsContact CG-OG 3.28Å; N204-S206 PolarHBondContact ND2-OG 3.42Å; N204-S206 PolarHBondContact O-N 3.11Å; N204-S206 VanDerWaalsContact OD1-CB 3.23Å; N204-S206 WeakPolarHBondContact OD1-CB 3.44Å; N204-S206 PolarHBondContact OD1-N 3.05Å; N204-S206 PolarHBondContact OD1-OG 2.81Å; S206-R209 WeakPolarHBondContact O-CD 3.38Å; S206-R209 WeakPolarHBondContact O-CG 3.47Å; S206-R209 PolarHBondContact O-NE 3.32Å; S206-R209 PolarHBondContact O-NH2 2.93Å |
| 207 | H | 78.7 | Confident | 67.7 | Low | 23 Ų | 23 | 106.5 Ų | 106.5 | 11% | 0.106 | 57% | 0.57 | C | S | . | * | H | α-helix | trans | -97.9 | -31 | 172.2 | -68.5 | 175.7 | 0 | 0 | 0 | 111.8 | R199 Y200 D201 N204 P205 R209 F210 | R199-H207 PolarHBondContact O-CE1 3.36Å; R199-H207 VanDerWaalsContact O-CE1 3.28Å; Y200-H207 HydrophobicContact CD2-CB 4.01Å; Y200-H207 HydrophobicContact CE2-CB 3.74Å; D201-H207 WeakPolarHBondContact CB-ND1 3.5Å; D201-H207 PolarHBondContact N-ND1 3.26Å; D201-H207 WeakPolarHBondContact O-CB 3.41Å; D201-H207 PolarHBondContact O-ND1 2.8Å; N204-H207 HydrophobicContact CB-CB 4.41Å; N204-H207 PolarHBondContact O-N 3.16Å; P205-H207 VanDerWaalsContact C-N 3.28Å; P205-H207 PolarHBondContact O-N 2.8Å; H207-R209 PolarHBondContact O-N 2.88Å; H207-R209 VanDerWaalsContact O-N 3.17Å; H207-F210 WeakPolarHBondContact O-CB 3.29Å; H207-F210 PolarHBondContact O-N 3.18Å |
| 208 | Q | 72.6 | Confident | 66.7 | Low | 90 Ų | 90 | 109.9 Ų | 109.9 | 42% | 0.421 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -57.6 | -29.5 | 176.7 | -69.9 | 177 | 1 | 0 | 0 | 113.6 | P202 N204 F210 E211 | P202-Q208 PolarHBondContact O-NE2 2.88Å; N204-Q208 PolarHBondContact O-N 3.1Å; Q208-F210 PolarHBondContact O-N 3.37Å; Q208-E211 WeakPolarHBondContact O-CB 3.43Å; Q208-E211 PolarHBondContact O-N 3.28Å |
| 209 | R | 73.7 | Confident | 65.4 | Low | 162 Ų | 162 | 110.4 Ų | 110.4 | 61% | 0.611 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.6 | -11.2 | 173.1 | 55.6 | 178.5 | 176.3 | -165.5 | -5.1 | 114.8 | S206 H207 | S206-R209 WeakPolarHBondContact O-CD 3.38Å; S206-R209 WeakPolarHBondContact O-CG 3.47Å; S206-R209 PolarHBondContact O-NE 3.32Å; S206-R209 PolarHBondContact O-NH2 2.93Å; H207-R209 PolarHBondContact O-N 2.88Å; H207-R209 VanDerWaalsContact O-N 3.17Å |
| 210 | F | 64.5 | Low | 63.8 | Low | 114 Ų | 114 | 108 Ų | 108 | 50% | 0.5 | 58% | 0.583 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -105.5 | -1.5 | 174 | -57.3 | -73.6 | 0 | 0 | 0 | 113 | F194 H207 Q208 L212 | F194-F210 HydrophobicContact CE2-CE1 4.36Å; F194-F210 HydrophobicContact CE2-CE2 4.18Å; F194-F210 AromaticContact CE2-CZ 3.59Å; F194-F210 HydrophobicContact CE2-CZ 3.59Å; F194-F210 AromaticContact CZ-CE2 3.9Å; F194-F210 HydrophobicContact CZ-CE2 3.9Å; F194-F210 AromaticContact CZ-CZ 3.6Å; F194-F210 HydrophobicContact CZ-CZ 3.6Å; H207-F210 WeakPolarHBondContact O-CB 3.29Å; H207-F210 PolarHBondContact O-N 3.18Å; Q208-F210 PolarHBondContact O-N 3.37Å; F210-L212 PolarHBondContact O-N 2.96Å; F210-L212 VanDerWaalsContact O-N 3.12Å |
| 211 | E | 68.2 | Low | 61.9 | Low | 89 Ų | 89 | 109.1 Ų | 109.1 | 42% | 0.416 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -65.1 | 114.6 | 169.2 | -69.9 | -171.2 | 163.6 | 0 | 0 | 108.4 | Y200 Q208 H213 | Y200-E211 WeakPolarHBondContact OH-CG 3.38Å; Y200-E211 PolarHBondContact OH-OE1 2.93Å; Q208-E211 WeakPolarHBondContact O-CB 3.43Å; Q208-E211 PolarHBondContact O-N 3.28Å; E211-H213 PolarHBondContact O-N 3.33Å |
| 212 | L | 64.8 | Low | 60 | Low | 171 Ų | 171 | 112.9 Ų | 112.9 | 90% | 0.895 | 62% | 0.622 | S | S | * | * | trans | -65.6 | 91.2 | 168.8 | -71.7 | 169.2 | 0 | 0 | 0 | 107.2 | F210 P214 | F210-L212 PolarHBondContact O-N 2.96Å; F210-L212 VanDerWaalsContact O-N 3.12Å; L212-P214 WeakPolarHBondContact O-CD 3.48Å | ||
| 213 | H | 62.1 | Low | 57.9 | Low | 147 Ų | 147 | 113.6 Ų | 113.6 | 68% | 0.681 | 64% | 0.642 | S | S | * | * | trans | -54.5 | 124.6 | 165.8 | -73.2 | -65.4 | 0 | 0 | 0 | 107.5 | E211 S215 | E211-H213 PolarHBondContact O-N 3.33Å; H213-S215 PolarHBondContact O-N 3.43Å | ||
| 214 | P | 57.2 | Low | 55.8 | Low | 121 Ų | 121 | 110.6 Ų | 110.6 | 79% | 0.786 | 65% | 0.645 | S | S | * | * | trans | -59.4 | 106.7 | 173.8 | 23 | -30.3 | 0 | 0 | 0 | 106.9 | L212 | L212-P214 WeakPolarHBondContact O-CD 3.48Š| ||
| 215 | S | 44.1 | Very low | 54.2 | Low | 103 Ų | 103 | 118 Ų | 118 | 72% | 0.72 | 68% | 0.675 | S | S | * | * | trans | -57.2 | 135 | 170.4 | -59.1 | 0 | 0 | 0 | 0 | 106.8 | H213 S217 | H213-S215 PolarHBondContact O-N 3.43Å; S215-S217 PolarHBondContact O-N 3.02Å; S215-S217 VanDerWaalsContact O-N 3.09Å | ||
| 216 | P | 48.5 | Very low | 52.4 | Low | 115 Ų | 115 | 118 Ų | 118 | 75% | 0.747 | 68% | 0.677 | S | S | * | * | trans | -55.4 | 124.1 | 177.1 | 21.9 | -31.2 | 0 | 0 | 0 | 108.4 | T218 | P216-T218 PolarHBondContact O-N 3.3Š| ||
| 217 | S | 38.5 | Very low | 50.6 | Low | 113 Ų | 113 | 127.1 Ų | 127.1 | 79% | 0.79 | 71% | 0.705 | S | S | * | * | trans | -49.7 | 106.3 | 177 | -87.3 | 0 | 0 | 0 | 0 | 110 | S215 S219 | S215-S217 PolarHBondContact O-N 3.02Å; S215-S217 VanDerWaalsContact O-N 3.09Å; S217-S219 PolarHBondContact O-N 2.96Å; S217-S219 VanDerWaalsContact O-N 3.11Å | ||
| 218 | T | 37.8 | Very low | 48.9 | Very low | 140 Ų | 140 | 136.8 Ų | 136.8 | 86% | 0.859 | 74% | 0.741 | S | S | * | * | trans | -85 | 62.9 | 165.6 | 49.1 | 0 | 0 | 0 | 0 | 109.2 | P216 H220 | P216-T218 PolarHBondContact O-N 3.3Å; T218-H220 VanDerWaalsContact C-N 3.25Å; T218-H220 PolarHBondContact O-N 3.47Å; T218-H220 VanDerWaalsContact O-N 3.14Å | ||
| 219 | S | 35.5 | Very low | 47.5 | Very low | 98 Ų | 98 | 139.8 Ų | 139.8 | 69% | 0.685 | 76% | 0.76 | S | S | * | * | trans | -80.8 | 75.8 | 162 | 66.4 | 0 | 0 | 0 | 0 | 109 | S217 | S217-S219 PolarHBondContact O-N 2.96Å; S217-S219 VanDerWaalsContact O-N 3.11Å | ||
| 220 | H | 38.1 | Very low | 46.1 | Very low | 175 Ų | 175 | 137 Ų | 137 | 81% | 0.81 | 77% | 0.765 | S | S | * | * | trans | -129.9 | 70.6 | 164 | -98.4 | -52.6 | 0 | 0 | 0 | 109.8 | T218 N222 | T218-H220 VanDerWaalsContact C-N 3.25Å; T218-H220 PolarHBondContact O-N 3.47Å; T218-H220 VanDerWaalsContact O-N 3.14Å; H220-N222 PolarHBondContact O-N 2.96Å | ||
| 221 | V | 39 | Very low | 44.8 | Very low | 140 Ų | 140 | 142.7 Ų | 142.7 | 85% | 0.848 | 79% | 0.785 | S | S | * | * | trans | -81.2 | 97.3 | 149.5 | -178.4 | 0 | 0 | 0 | 0 | 105.6 | ||||
| 222 | N | 41 | Very low | 43.6 | Very low | 149 Ų | 149 | 142.6 Ų | 142.6 | 80% | 0.797 | 80% | 0.8 | S | S | * | * | trans | -157.3 | 105 | 151.6 | -92.1 | -28.1 | 0 | 0 | 0 | 107.9 | H220 A224 | H220-N222 PolarHBondContact O-N 2.96Å; N222-A224 PolarHBondContact O-N 3.49Å | ||
| 223 | G | 33 | Very low | 42.5 | Very low | 84 Ų | 84 | 140.4 Ų | 140.4 | 87% | 0.866 | 80% | 0.796 | S | S | * | * | trans | -66.2 | 128.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 224 | A | 38.9 | Very low | 41.5 | Very low | 100 Ų | 100 | 140.2 Ų | 140.2 | 83% | 0.826 | 80% | 0.804 | S | S | * | * | trans | -154.1 | 134.5 | 151.9 | 0 | 0 | 0 | 0 | 0 | 108.7 | N222 | N222-A224 PolarHBondContact O-N 3.49Š| ||
| 225 | K | 45.5 | Very low | 40.8 | Very low | 211 Ų | 211 | 140.4 Ų | 140.4 | 92% | 0.917 | 80% | 0.803 | S | S | * | * | trans | -66 | 158.3 | -171.2 | -65 | 162.4 | 172.9 | 170.6 | 0 | 112.1 | ||||
| 226 | S | 41 | Very low | 40.2 | Very low | 96 Ų | 96 | 141.1 Ų | 141.1 | 67% | 0.671 | 81% | 0.808 | S | S | * | * | trans | 101.1 | 118.2 | 135.4 | -179.7 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 227 | R | 40.8 | Very low | 39.8 | Very low | 228 Ų | 228 | 140.5 Ų | 140.5 | 86% | 0.86 | 81% | 0.807 | S | S | * | * | trans | 76.8 | 105.1 | 149.3 | -72.1 | 171.1 | -179.5 | -155.2 | -1 | 116.3 | ||||
| 228 | R | 41.8 | Very low | 39.5 | Very low | 226 Ų | 226 | 140.6 Ų | 140.6 | 85% | 0.853 | 81% | 0.807 | S | S | * | * | 71.8 | 141.3 | 84.5 | -95.5 | -161.3 | -158.4 | 178.6 | 6.6 | 112.8 | |||||
| 229 | D | 42.7 | Very low | 39.5 | Very low | 153 Ų | 153 | 141 Ų | 141 | 82% | 0.818 | 80% | 0.803 | S | S | * | * | trans | 82.1 | 125.2 | 177.8 | -42.5 | -28.7 | 0 | 0 | 0 | 112.1 | ||||
| 230 | S | 45.2 | Very low | 39.6 | Very low | 104 Ų | 104 | 147.5 Ų | 147.5 | 73% | 0.727 | 81% | 0.812 | S | S | * | * | cis | -172.3 | 140 | 7.5 | 45.5 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 231 | Y | 37.8 | Very low | 39.6 | Very low | 233 Ų | 233 | 147.2 Ų | 147.2 | 91% | 0.914 | 81% | 0.811 | S | S | * | * | trans | 24.7 | 117.4 | 150.4 | -72 | -94.3 | 0 | 0 | 0 | 121.7 | ||||
| 232 | A | 41.7 | Very low | 39.4 | Very low | 87 Ų | 87 | 149.4 Ų | 149.4 | 72% | 0.719 | 81% | 0.812 | S | S | * | * | trans | -161.7 | 126.5 | 133.7 | 0 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 233 | P | 43.2 | Very low | 38.9 | Very low | 125 Ų | 125 | 148.6 Ų | 148.6 | 81% | 0.812 | 81% | 0.813 | S | S | * | * | trans | -84.5 | 113.5 | 170.9 | 31.8 | -26.5 | 0 | 0 | 0 | 109.2 | V235 | P233-V235 PolarHBondContact O-N 3.5Š| ||
| 234 | V | 41.1 | Very low | 39 | Very low | 143 Ų | 143 | 150.8 Ų | 150.8 | 87% | 0.867 | 81% | 0.809 | S | S | * | * | trans | -80.8 | 119.9 | 173.4 | 177.8 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 235 | V | 41.6 | Very low | 38.8 | Very low | 126 Ų | 126 | 149.9 Ų | 149.9 | 76% | 0.764 | 80% | 0.802 | S | S | * | * | trans | -57 | 121.7 | -176.6 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | P233 S237 | P233-V235 PolarHBondContact O-N 3.5Å; V235-S237 PolarHBondContact O-N 2.91Å | ||
| 236 | S | 32.1 | Very low | 38.5 | Very low | 117 Ų | 117 | 145.9 Ų | 145.9 | 82% | 0.818 | 80% | 0.797 | S | S | * | * | trans | -73.2 | 107 | 166.1 | 42.1 | 0 | 0 | 0 | 0 | 110.3 | S238 | S236-S238 PolarHBondContact O-N 3.3Š| ||
| 237 | S | 39.6 | Very low | 38.3 | Very low | 103 Ų | 103 | 147.9 Ų | 147.9 | 72% | 0.72 | 81% | 0.805 | S | S | * | * | trans | -79.1 | 111.8 | 169.5 | 54.9 | 0 | 0 | 0 | 0 | 110.4 | V235 I239 | V235-S237 PolarHBondContact O-N 2.91Å; S237-I239 PolarHBondContact O-N 3.01Å | ||
| 238 | S | 32.9 | Very low | 38 | Very low | 114 Ų | 114 | 141.1 Ų | 141.1 | 80% | 0.797 | 80% | 0.798 | S | S | * | * | trans | -59.9 | 113.5 | 170.7 | 170.3 | 0 | 0 | 0 | 0 | 111.3 | S236 | S236-S238 PolarHBondContact O-N 3.3Š| ||
| 239 | I | 36.3 | Very low | 38.1 | Very low | 150 Ų | 150 | 136.6 Ų | 136.6 | 77% | 0.769 | 80% | 0.795 | S | S | * | * | trans | -95.3 | 109.6 | 162.6 | -63.9 | 173.3 | 0 | 0 | 0 | 106.2 | S237 E241 | S237-I239 PolarHBondContact O-N 3.01Å; I239-E241 PolarHBondContact O-N 3.39Å; I239-E241 VanDerWaalsContact O-N 3.15Å | ||
| 240 | R | 38.1 | Very low | 37.8 | Very low | 233 Ų | 233 | 137.6 Ų | 137.6 | 88% | 0.879 | 80% | 0.795 | S | S | * | * | trans | -64.9 | 106 | 168.3 | -97.2 | -179.6 | 166.8 | 176.1 | -3.6 | 108.3 | Q242 | R240-Q242 PolarHBondContact O-N 3.48Š| ||
| 241 | E | 38.7 | Very low | 37.8 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | -65.7 | 108.2 | 163.6 | -75.4 | -177.5 | 159.4 | 0 | 0 | 108.9 | I239 T243 | I239-E241 PolarHBondContact O-N 3.39Å; I239-E241 VanDerWaalsContact O-N 3.15Å; E241-T243 PolarHBondContact O-N 3.41Å | ||
| 242 | Q | 33.9 | Very low | 38.1 | Very low | 185 Ų | 185 | 134.4 Ų | 134.4 | 86% | 0.864 | 79% | 0.789 | S | S | * | * | trans | -82.6 | 92.6 | 167.4 | -155.3 | 172.7 | 23.2 | 0 | 0 | 106.9 | R240 V244 | R240-Q242 PolarHBondContact O-N 3.48Å; Q242-V244 PolarHBondContact O-N 3.09Å | ||
| 243 | T | 31 | Very low | 38.5 | Very low | 132 Ų | 132 | 135.6 Ų | 135.6 | 81% | 0.81 | 78% | 0.783 | S | S | * | * | trans | -69 | 98.5 | 177.4 | 9.7 | 0 | 0 | 0 | 0 | 109.8 | E241 A245 | E241-T243 PolarHBondContact O-N 3.41Å; T243-A245 PolarHBondContact O-N 2.98Å | ||
| 244 | V | 35.5 | Very low | 39.4 | Very low | 131 Ų | 131 | 133.3 Ų | 133.3 | 79% | 0.794 | 76% | 0.763 | S | S | * | * | P | Polyproline II helix | trans | -76.2 | 116.6 | 163.4 | -178.5 | 0 | 0 | 0 | 0 | 107.2 | Q242 | Q242-V244 PolarHBondContact O-N 3.09Š|
| 245 | A | 33.8 | Very low | 40.2 | Very low | 81 Ų | 81 | 131.8 Ų | 131.8 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | P | Polyproline II helix | trans | -63.2 | 136.7 | 177.4 | 0 | 0 | 0 | 0 | 0 | 110.2 | T243 V247 | T243-A245 PolarHBondContact O-N 2.98Å; A245-V247 PolarHBondContact O-N 2.96Å |
| 246 | P | 39.1 | Very low | 41.1 | Very low | 126 Ų | 126 | 131.1 Ų | 131.1 | 82% | 0.818 | 75% | 0.745 | S | S | * | * | P | Polyproline II helix | trans | -69.7 | 129.2 | 178.2 | 28.7 | -31.5 | 0 | 0 | 0 | 109.8 | A248 | P246-A248 PolarHBondContact O-N 3.01Š|
| 247 | V | 37.2 | Very low | 42.4 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 84% | 0.836 | 72% | 0.722 | S | S | * | * | P | Polyproline II helix | trans | -61 | 118.7 | 169.1 | 176.8 | 0 | 0 | 0 | 0 | 107.8 | A245 T249 | A245-V247 PolarHBondContact O-N 2.96Å; V247-T249 PolarHBondContact O-N 2.81Å; V247-T249 VanDerWaalsContact O-N 3.12Å |
| 248 | A | 34.6 | Very low | 43.4 | Very low | 86 Ų | 86 | 127.9 Ų | 127.9 | 71% | 0.711 | 71% | 0.713 | S | S | * | * | trans | -66.9 | 108.6 | 175.6 | 0 | 0 | 0 | 0 | 0 | 109.2 | P246 Q250 | P246-A248 PolarHBondContact O-N 3.01Å; A248-Q250 PolarHBondContact O-N 3.38Å | ||
| 249 | T | 43.6 | Very low | 44.8 | Very low | 131 Ų | 131 | 129.3 Ų | 129.3 | 80% | 0.804 | 71% | 0.707 | S | S | * | * | trans | -65.4 | 102.2 | 164 | 30.9 | 0 | 0 | 0 | 0 | 108.2 | V247 V251 | V247-T249 PolarHBondContact O-N 2.81Å; V247-T249 VanDerWaalsContact O-N 3.12Å; T249-V251 PolarHBondContact O-N 2.75Å | ||
| 250 | Q | 37.9 | Very low | 46.1 | Very low | 174 Ų | 174 | 129.8 Ų | 129.8 | 81% | 0.813 | 70% | 0.699 | S | S | * | * | trans | -67.7 | 111.8 | 166.7 | -74.2 | -177.1 | 7.7 | 0 | 0 | 108 | A248 I252 | A248-Q250 PolarHBondContact O-N 3.38Å; Q250-I252 PolarHBondContact O-N 3.43Å | ||
| 251 | V | 44.5 | Very low | 47 | Very low | 125 Ų | 125 | 122.3 Ų | 122.3 | 76% | 0.758 | 68% | 0.676 | S | S | * | * | trans | -77 | 106.2 | 162.8 | 179.4 | 0 | 0 | 0 | 0 | 105.6 | T249 L253 | T249-V251 PolarHBondContact O-N 2.75Å; V251-L253 PolarHBondContact O-N 3.27Å | ||
| 252 | I | 43.6 | Very low | 48.2 | Very low | 145 Ų | 145 | 120.9 Ų | 120.9 | 74% | 0.744 | 67% | 0.667 | S | S | * | * | trans | -76 | 103.8 | 174.4 | -58.4 | 173 | 0 | 0 | 0 | 106.2 | Q250 | Q250-I252 PolarHBondContact O-N 3.43Š| ||
| 253 | L | 51.2 | Low | 49.4 | Very low | 113 Ų | 113 | 114.8 Ų | 114.8 | 59% | 0.592 | 65% | 0.649 | S | S | * | * | trans | -75.3 | 125.1 | 165.1 | -81.6 | 154.4 | 0 | 0 | 0 | 107.5 | V251 P255 | V251-L253 PolarHBondContact O-N 3.27Å; L253-P255 WeakPolarHBondContact O-CD 3.45Å | ||
| 254 | D | 60.3 | Low | 50.6 | Low | 77 Ų | 77 | 112 Ų | 112 | 41% | 0.412 | 63% | 0.634 | S | S | . | * | trans | -53.8 | 118.8 | 175.6 | -173.4 | 2.9 | 0 | 0 | 0 | 109.5 | E256 F257 | D254-E256 PolarHBondContact O-N 3.02Å; D254-E256 PolarHBondContact OD1-N 3.15Å; D254-F257 HydrophobicContact CB-CB 4.24Å; D254-F257 WeakPolarHBondContact O-CB 3.27Å; D254-F257 PolarHBondContact O-N 2.91Å | ||
| 255 | P | 57.9 | Low | 51.6 | Low | 111 Ų | 111 | 113.1 Ų | 113.1 | 72% | 0.721 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -29.7 | -177.8 | -21.6 | 31 | 0 | 0 | 0 | 112.7 | L253 F257 | L253-P255 WeakPolarHBondContact O-CD 3.45Å; P255-F257 VanDerWaalsContact C-N 3.26Å; P255-F257 PolarHBondContact O-N 3.41Å |
| 256 | E | 61.7 | Low | 52.6 | Low | 112 Ų | 112 | 119.5 Ų | 119.5 | 52% | 0.523 | 64% | 0.638 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.6 | -7 | 177.3 | -64.3 | -165.6 | 175.6 | 0 | 0 | 113.1 | D254 S258 E259 R260 | D254-E256 PolarHBondContact O-N 3.02Å; D254-E256 PolarHBondContact OD1-N 3.15Å; E256-S258 PolarHBondContact O-N 3.04Å; E256-E259 PolarHBondContact O-N 3.35Å; E256-E259 VanDerWaalsContact O-N 3.1Å; E256-R260 WeakPolarHBondContact O-CB 3.18Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 3.47Å |
| 257 | F | 58.5 | Low | 52.8 | Low | 77 Ų | 77 | 119.2 Ų | 119.2 | 34% | 0.338 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -56.9 | -41.2 | 178.3 | -178.3 | -99.2 | 0 | 0 | 0 | 111.9 | D254 P255 E259 L261 F274 | D254-F257 HydrophobicContact CB-CB 4.24Å; D254-F257 WeakPolarHBondContact O-CB 3.27Å; D254-F257 PolarHBondContact O-N 2.91Å; P255-F257 VanDerWaalsContact C-N 3.26Å; P255-F257 PolarHBondContact O-N 3.41Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-E259 PolarHBondContact O-N 3.22Å; F257-L261 HydrophobicContact CE1-CD1 4.15Å; F257-L261 HydrophobicContact CZ-CD1 4.08Å; F257-L261 WeakPolarHBondContact O-CB 3.39Å; F257-L261 PolarHBondContact O-N 3.32Å; F257-F274 HydrophobicContact CE2-CE2 4.42Å; F257-F274 AromaticContact CE2-CZ 3.79Å; F257-F274 HydrophobicContact CE2-CZ 3.79Å; F257-F274 AromaticContact CZ-CZ 3.86Å; F257-F274 HydrophobicContact CZ-CZ 3.86Å |
| 258 | S | 60.7 | Low | 53.3 | Low | 75 Ų | 75 | 121.2 Ų | 121.2 | 52% | 0.524 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -71.2 | -29.7 | -179.7 | -57.2 | 0 | 0 | 0 | 0 | 112.3 | E256 K262 | E256-S258 PolarHBondContact O-N 3.04Å; S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 2.73Å |
| 259 | E | 62 | Low | 53.3 | Low | 143 Ų | 143 | 119.1 Ų | 119.1 | 67% | 0.668 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -80.3 | -37 | 176.5 | -65.4 | -161 | 164.3 | 0 | 0 | 111.7 | E256 F257 K262 A263 | E256-E259 PolarHBondContact O-N 3.35Å; E256-E259 VanDerWaalsContact O-N 3.1Å; F257-E259 VanDerWaalsContact C-N 3.33Å; F257-E259 PolarHBondContact O-N 3.22Å; E259-K262 CarbonylContact O-C 3.59Å; E259-K262 PolarHBondContact O-N 3.21Å; E259-A263 WeakPolarHBondContact O-CB 3.16Å; E259-A263 PolarHBondContact O-N 3.49Å |
| 260 | R | 63.6 | Low | 53.1 | Low | 161 Ų | 161 | 121.6 Ų | 121.6 | 61% | 0.608 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -63.8 | -39.2 | 171.2 | -74.6 | 177.6 | 160.8 | -171.6 | -7.3 | 112.4 | E256 K262 A263 S264 | E256-R260 WeakPolarHBondContact O-CB 3.18Å; E256-R260 WeakPolarHBondContact O-CG 3.33Å; E256-R260 PolarHBondContact O-N 3.47Å; R260-K262 VanDerWaalsContact C-N 3.35Å; R260-A263 PolarHBondContact O-N 2.93Å; R260-S264 PolarHBondContact O-N 3.25Å; R260-S264 PolarHBondContact O-OG 3.08Å |
| 261 | L | 58.8 | Low | 53.2 | Low | 75 Ų | 75 | 118.8 Ų | 118.8 | 39% | 0.393 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -62.4 | -44.7 | 174.7 | -149.8 | 95.2 | 0 | 0 | 0 | 110.8 | F257 A263 S264 E265 F274 | F257-L261 HydrophobicContact CE1-CD1 4.15Å; F257-L261 HydrophobicContact CZ-CD1 4.08Å; F257-L261 WeakPolarHBondContact O-CB 3.39Å; F257-L261 PolarHBondContact O-N 3.32Å; L261-A263 VanDerWaalsContact C-N 3.33Å; L261-A263 PolarHBondContact O-N 3.19Å; L261-S264 PolarHBondContact O-N 3.17Å; L261-S264 PolarHBondContact O-OG 2.94Å; L261-E265 PolarHBondContact O-N 2.87Å; L261-F274 HydrophobicContact CD1-CE1 3.89Å; L261-F274 HydrophobicContact CD1-CZ 3.68Å |
| 262 | K | 62.6 | Low | 53.3 | Low | 141 Ų | 141 | 121.8 Ų | 121.8 | 61% | 0.613 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -67.2 | -30.1 | 175.3 | -75.7 | 178.2 | 179.5 | -178.8 | 0 | 113.1 | S258 E259 R260 | S258-K262 WeakPolarHBondContact O-CG 3.4Å; S258-K262 PolarHBondContact O-N 2.73Å; E259-K262 CarbonylContact O-C 3.59Å; E259-K262 PolarHBondContact O-N 3.21Å; R260-K262 VanDerWaalsContact C-N 3.35Å |
| 263 | A | 59.9 | Low | 53.4 | Low | 57 Ų | 57 | 122.4 Ų | 122.4 | 47% | 0.471 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -73.4 | -37.5 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | E259 R260 L261 E265 W266 | E259-A263 WeakPolarHBondContact O-CB 3.16Å; E259-A263 PolarHBondContact O-N 3.49Å; R260-A263 PolarHBondContact O-N 2.93Å; L261-A263 VanDerWaalsContact C-N 3.33Å; L261-A263 PolarHBondContact O-N 3.19Å; A263-E265 VanDerWaalsContact C-N 3.29Å; A263-E265 PolarHBondContact O-N 3.06Å; A263-W266 PolarHBondContact O-N 3.22Å |
| 264 | S | 56.4 | Low | 53 | Low | 73 Ų | 73 | 123.2 Ų | 123.2 | 51% | 0.51 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -72.6 | -16.9 | 179.4 | 68 | 0 | 0 | 0 | 0 | 114.8 | R260 L261 W266 | R260-S264 PolarHBondContact O-N 3.25Å; R260-S264 PolarHBondContact O-OG 3.08Å; L261-S264 PolarHBondContact O-N 3.17Å; L261-S264 PolarHBondContact O-OG 2.94Å; S264-W266 VanDerWaalsContact C-N 3.34Å |
| 265 | E | 56.6 | Low | 52.6 | Low | 154 Ų | 154 | 121.2 Ų | 121.2 | 72% | 0.72 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.2 | -16 | 177.7 | -169.1 | 172.4 | -160.8 | 0 | 0 | 112.6 | L261 A263 | L261-E265 PolarHBondContact O-N 2.87Å; A263-E265 VanDerWaalsContact C-N 3.29Å; A263-E265 PolarHBondContact O-N 3.06Å |
| 266 | W | 53.9 | Low | 52.2 | Low | 216 Ų | 216 | 121.6 Ų | 121.6 | 82% | 0.818 | 62% | 0.616 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.2 | -12.4 | -176.9 | -67.7 | 66.8 | 0 | 0 | 0 | 113.7 | A263 S264 | A263-W266 PolarHBondContact O-N 3.22Å; S264-W266 VanDerWaalsContact C-N 3.34Å |
| 267 | D | 44 | Very low | 51.7 | Low | 120 Ų | 120 | 123.1 Ų | 123.1 | 64% | 0.642 | 63% | 0.627 | S | S | * | * | trans | -95.6 | 100.1 | 175.1 | -83.7 | -30.1 | 0 | 0 | 0 | 110.1 | G269 | D267-G269 PolarHBondContact O-N 3.17Š| ||
| 268 | D | 47 | Very low | 51.4 | Low | 179 Ų | 179 | 121.9 Ų | 121.9 | 96% | 0.957 | 63% | 0.631 | S | S | * | * | trans | -62.2 | 13.3 | 165.5 | -90.5 | -27.7 | 0 | 0 | 0 | 113.2 | ||||
| 269 | G | 35.5 | Very low | 51 | Low | 43 Ų | 43 | 121.2 Ų | 121.2 | 44% | 0.443 | 63% | 0.63 | S | S | . | * | S | Bend | trans | -89.3 | 120 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D267 T271 | D267-G269 PolarHBondContact O-N 3.17Å; G269-T271 VanDerWaalsContact C-N 3.27Å; G269-T271 PolarHBondContact O-N 2.84Å; G269-T271 PolarHBondContact O-OG1 3.09Å |
| 270 | L | 37.9 | Very low | 50.1 | Low | 183 Ų | 183 | 122.3 Ų | 122.3 | 96% | 0.958 | 63% | 0.633 | S | S | * | * | trans | -50.8 | 81.4 | 166.7 | -77.4 | 146.8 | 0 | 0 | 0 | 112.1 | ||||
| 271 | T | 39.7 | Very low | 48.9 | Very low | 114 Ų | 114 | 118 Ų | 118 | 70% | 0.699 | 64% | 0.639 | S | S | * | * | trans | -138.2 | 106.5 | 173.8 | 46.1 | 0 | 0 | 0 | 0 | 111.3 | G269 | G269-T271 VanDerWaalsContact C-N 3.27Å; G269-T271 PolarHBondContact O-N 2.84Å; G269-T271 PolarHBondContact O-OG1 3.09Å | ||
| 272 | E | 48.1 | Very low | 48 | Very low | 188 Ų | 188 | 124.7 Ų | 124.7 | 88% | 0.879 | 66% | 0.659 | S | S | * | * | trans | 74 | 120.3 | 162.2 | -55.9 | -168.9 | 167.1 | 0 | 0 | 117.6 | F274 | E272-F274 PolarHBondContact O-N 2.87Š| ||
| 273 | E | 45.9 | Very low | 46.9 | Very low | 159 Ų | 159 | 123.7 Ų | 123.7 | 74% | 0.743 | 66% | 0.664 | S | S | * | * | trans | -56.8 | 90.4 | -178.7 | -60.2 | -178.8 | 166.8 | 0 | 0 | 112.3 | S275 | E273-S275 PolarHBondContact O-N 3.44Å; E273-S275 VanDerWaalsContact O-N 3.09Å | ||
| 274 | F | 42.5 | Very low | 45.9 | Very low | 130 Ų | 130 | 129.2 Ų | 129.2 | 57% | 0.57 | 68% | 0.681 | S | S | * | * | trans | -71.6 | 104.6 | 169.3 | -157.8 | -92.5 | 0 | 0 | 0 | 109.2 | F257 L261 E272 | F257-F274 HydrophobicContact CE2-CE2 4.42Å; F257-F274 AromaticContact CE2-CZ 3.79Å; F257-F274 HydrophobicContact CE2-CZ 3.79Å; F257-F274 AromaticContact CZ-CZ 3.86Å; F257-F274 HydrophobicContact CZ-CZ 3.86Å; L261-F274 HydrophobicContact CD1-CE1 3.89Å; L261-F274 HydrophobicContact CD1-CZ 3.68Å; E272-F274 PolarHBondContact O-N 2.87Å | ||
| 275 | S | 51.1 | Low | 44.9 | Very low | 35 Ų | 35 | 131.2 Ų | 131.2 | 25% | 0.245 | 69% | 0.689 | C | S | . | * | trans | -118 | 120.6 | 172.4 | -165.6 | 0 | 0 | 0 | 0 | 109.5 | E273 L277 A278 A279 | E273-S275 PolarHBondContact O-N 3.44Å; E273-S275 VanDerWaalsContact O-N 3.09Å; S275-L277 PolarHBondContact O-N 3.11Å; S275-L277 VanDerWaalsContact O-N 3.09Å; S275-A278 WeakPolarHBondContact O-CA 3.46Å; S275-A278 WeakPolarHBondContact O-CB 3.35Å; S275-A278 PolarHBondContact O-N 2.83Å; S275-A279 PolarHBondContact O-N 3.21Å | ||
| 276 | L | 49.9 | Very low | 43.7 | Very low | 119 Ų | 119 | 132 Ų | 132 | 62% | 0.623 | 69% | 0.693 | S | S | * | * | H | α-helix | trans | -53.1 | -31.5 | 171.9 | -133.2 | 102.8 | 0 | 0 | 0 | 111.3 | A278 A279 F280 | L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 3.46Å; L276-A279 PolarHBondContact O-N 3.14Å; L276-F280 HydrophobicContact CD2-CD2 4.45Å; L276-F280 HydrophobicContact CD2-CE2 4.14Å; L276-F280 WeakPolarHBondContact O-CD2 3.29Å; L276-F280 PolarHBondContact O-N 3.06Å; L276-F280 VanDerWaalsContact O-N 3.16Å |
| 277 | L | 51.5 | Low | 42.6 | Very low | 144 Ų | 144 | 129.6 Ų | 129.6 | 75% | 0.754 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -69.6 | -24 | 175 | -76.1 | 155.1 | 0 | 0 | 0 | 113.8 | S275 | S275-L277 PolarHBondContact O-N 3.11Å; S275-L277 VanDerWaalsContact O-N 3.09Å |
| 278 | A | 52.2 | Low | 42 | Very low | 50 Ų | 50 | 128.4 Ų | 128.4 | 41% | 0.413 | 70% | 0.698 | S | S | . | * | H | α-helix | trans | -82.3 | -24.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | S275 L276 | S275-A278 WeakPolarHBondContact O-CA 3.46Å; S275-A278 WeakPolarHBondContact O-CB 3.35Å; S275-A278 PolarHBondContact O-N 2.83Å; L276-A278 VanDerWaalsContact C-N 3.32Å; L276-A278 PolarHBondContact O-N 3.46Å |
| 279 | A | 51.5 | Low | 41.2 | Very low | 62 Ų | 62 | 124.4 Ų | 124.4 | 51% | 0.512 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -78.9 | -36 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | S275 L276 G281 | S275-A279 PolarHBondContact O-N 3.21Å; L276-A279 PolarHBondContact O-N 3.14Å; A279-G281 PolarHBondContact O-N 2.87Å |
| 280 | F | 42.7 | Very low | 41.1 | Very low | 165 Ų | 165 | 129.6 Ų | 129.6 | 72% | 0.724 | 70% | 0.701 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 102 | 173 | -83.2 | -82.9 | 0 | 0 | 0 | 111.1 | L276 | L276-F280 HydrophobicContact CD2-CD2 4.45Å; L276-F280 HydrophobicContact CD2-CE2 4.14Å; L276-F280 WeakPolarHBondContact O-CD2 3.29Å; L276-F280 PolarHBondContact O-N 3.06Å; L276-F280 VanDerWaalsContact O-N 3.16Å |
| 281 | G | 40.1 | Very low | 40.8 | Very low | 70 Ų | 70 | 130 Ų | 130 | 72% | 0.722 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 127.1 | 0.2 | 171.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | A279 T283 | A279-G281 PolarHBondContact O-N 2.87Å; G281-T283 VanDerWaalsContact C-N 3.3Å; G281-T283 PolarHBondContact O-N 3.34Å |
| 282 | R | 39.7 | Very low | 40.3 | Very low | 217 Ų | 217 | 128.2 Ų | 128.2 | 82% | 0.819 | 70% | 0.703 | S | S | * | * | trans | -75.5 | 84.6 | 166.3 | -70.8 | -172.4 | 177.8 | -169.1 | 0.5 | 109.6 | E284 | R282-E284 PolarHBondContact O-N 3.4Š| ||
| 283 | T | 39.9 | Very low | 39.4 | Very low | 119 Ų | 119 | 128.4 Ų | 128.4 | 73% | 0.73 | 70% | 0.704 | S | S | * | * | trans | -73.8 | 104.3 | 154.9 | 50.7 | 0 | 0 | 0 | 0 | 106.5 | G281 V285 | G281-T283 VanDerWaalsContact C-N 3.3Å; G281-T283 PolarHBondContact O-N 3.34Å; T283-V285 PolarHBondContact O-N 2.98Å | ||
| 284 | E | 38.8 | Very low | 38.9 | Very low | 174 Ų | 174 | 127.9 Ų | 127.9 | 81% | 0.813 | 71% | 0.711 | S | S | * | * | trans | -62 | 102.1 | 170.5 | -146.3 | 172 | -145.2 | 0 | 0 | 107.4 | R282 Q286 | R282-E284 PolarHBondContact O-N 3.4Å; E284-Q286 VanDerWaalsContact C-N 3.31Å; E284-Q286 PolarHBondContact O-N 3.47Å | ||
| 285 | V | 34.8 | Very low | 38.3 | Very low | 114 Ų | 114 | 125.7 Ų | 125.7 | 69% | 0.691 | 72% | 0.717 | S | S | * | * | trans | -74 | 95.2 | 171.3 | 177.8 | 0 | 0 | 0 | 0 | 105.3 | T283 Q287 | T283-V285 PolarHBondContact O-N 2.98Å; V285-Q287 HydrophobicContact CG1-CG 4.27Å; V285-Q287 PolarHBondContact O-N 2.89Å | ||
| 286 | Q | 31.9 | Very low | 37.4 | Very low | 172 Ų | 172 | 131.8 Ų | 131.8 | 80% | 0.804 | 75% | 0.746 | S | S | * | * | trans | -60.4 | 93.1 | 160.7 | -76.8 | -175.8 | 8.8 | 0 | 0 | 107.3 | E284 A288 | E284-Q286 VanDerWaalsContact C-N 3.31Å; E284-Q286 PolarHBondContact O-N 3.47Å; Q286-A288 VanDerWaalsContact C-N 3.31Å; Q286-A288 PolarHBondContact O-N 3.42Å | ||
| 287 | Q | 30.3 | Very low | 36.8 | Very low | 164 Ų | 164 | 134.8 Ų | 134.8 | 77% | 0.766 | 76% | 0.757 | S | S | * | * | trans | -66.8 | 101.5 | 157.2 | -82.4 | -173.4 | 1.4 | 0 | 0 | 106 | V285 S289 | V285-Q287 HydrophobicContact CG1-CG 4.27Å; V285-Q287 PolarHBondContact O-N 2.89Å; Q287-S289 PolarHBondContact O-N 3.47Å | ||
| 288 | A | 31.3 | Very low | 35.8 | Very low | 96 Ų | 96 | 136.9 Ų | 136.9 | 79% | 0.793 | 76% | 0.763 | S | S | * | * | trans | -65.9 | 76 | 161.5 | 0 | 0 | 0 | 0 | 0 | 108.3 | Q286 | Q286-A288 VanDerWaalsContact C-N 3.31Å; Q286-A288 PolarHBondContact O-N 3.42Å | ||
| 289 | S | 30.9 | Very low | 34.9 | Very low | 95 Ų | 95 | 140.9 Ų | 140.9 | 66% | 0.664 | 78% | 0.782 | S | S | * | * | trans | -83.3 | 108 | 159.7 | 61.6 | 0 | 0 | 0 | 0 | 107.1 | Q287 E291 | Q287-S289 PolarHBondContact O-N 3.47Å; S289-E291 PolarHBondContact O-N 2.84Å; S289-E291 VanDerWaalsContact O-N 3.14Å | ||
| 290 | N | 32 | Very low | 33.9 | Very low | 151 Ų | 151 | 144 Ų | 144 | 81% | 0.807 | 79% | 0.79 | S | S | * | * | trans | -55.3 | 113.9 | 162.5 | -66.2 | -36.1 | 0 | 0 | 0 | 108.1 | ||||
| 291 | E | 32.2 | Very low | 33.7 | Very low | 191 Ų | 191 | 142.2 Ų | 142.2 | 89% | 0.893 | 79% | 0.792 | S | S | * | * | trans | 152.8 | 124.2 | 145.7 | -85.5 | 167.3 | -174.1 | 0 | 0 | 110.8 | S289 | S289-E291 PolarHBondContact O-N 2.84Å; S289-E291 VanDerWaalsContact O-N 3.14Å | ||
| 292 | G | 30.1 | Very low | 33.2 | Very low | 77 Ų | 77 | 149.4 Ų | 149.4 | 79% | 0.794 | 80% | 0.798 | S | S | * | * | trans | 101.3 | 93.1 | 152 | 0 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 293 | Q | 29.3 | Very low | 32.8 | Very low | 192 Ų | 192 | 146.6 Ų | 146.6 | 90% | 0.897 | 80% | 0.798 | S | S | * | * | trans | -15.5 | 127.6 | 150.9 | -66 | 164.2 | -49.7 | 0 | 0 | 116.3 | ||||
| 294 | V | 34.7 | Very low | 32.5 | Very low | 148 Ų | 148 | 146.8 Ų | 146.8 | 90% | 0.897 | 80% | 0.795 | S | S | * | * | -156.8 | 130.6 | 120.2 | 176.9 | 0 | 0 | 0 | 0 | 108.1 | |||||
| 295 | A | 28.9 | Very low | 32.4 | Very low | 84 Ų | 84 | 143.6 Ų | 143.6 | 69% | 0.694 | 80% | 0.798 | S | S | * | * | trans | -75.1 | 145.6 | -178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 296 | L | 34 | Very low | 32.5 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 86% | 0.859 | 80% | 0.801 | S | S | * | * | trans | -155.4 | 110.2 | 137 | -129.7 | 120.1 | 0 | 0 | 0 | 111.5 | ||||
| 297 | E | 35.2 | Very low | 32.5 | Very low | 182 Ų | 182 | 142 Ų | 142 | 85% | 0.85 | 80% | 0.798 | S | S | * | * | trans | 56 | 128.1 | 150.7 | -59.8 | -160.8 | 157.1 | 0 | 0 | 124 | ||||
| 298 | E | 31 | Very low | 32.9 | Very low | 188 Ų | 188 | 142.5 Ų | 142.5 | 88% | 0.879 | 81% | 0.805 | S | S | * | * | trans | -56.3 | 124.9 | 176.8 | -69.3 | 164.3 | 138.7 | 0 | 0 | 114.2 | ||||
| 299 | V | 33.6 | Very low | 33.1 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 81% | 0.812 | 81% | 0.808 | S | S | * | * | trans | -125.2 | 102.8 | 144.4 | 180 | 0 | 0 | 0 | 0 | 108.4 | T301 | V299-T301 PolarHBondContact O-N 3.23Š| ||
| 300 | D | 30.2 | Very low | 33.4 | Very low | 128 Ų | 128 | 146 Ų | 146 | 68% | 0.684 | 81% | 0.809 | S | S | * | * | trans | -69.3 | 100.8 | -176.1 | -149.1 | 1.1 | 0 | 0 | 0 | 110.3 | ||||
| 301 | T | 38.9 | Very low | 33.5 | Very low | 126 Ų | 126 | 148 Ų | 148 | 77% | 0.773 | 82% | 0.816 | S | S | * | * | trans | -131.9 | 74.1 | 161.6 | 49.3 | 0 | 0 | 0 | 0 | 110.5 | V299 L303 | V299-T301 PolarHBondContact O-N 3.23Å; T301-L303 PolarHBondContact O-N 3.16Å | ||
| 302 | R | 28.9 | Very low | 33.5 | Very low | 222 Ų | 222 | 142.3 Ų | 142.3 | 84% | 0.838 | 81% | 0.808 | S | S | * | * | trans | -50 | 102.4 | 159.9 | -67.9 | 172 | 162.5 | -167.3 | -6.1 | 110.5 | ||||
| 303 | L | 31.3 | Very low | 33.9 | Very low | 157 Ų | 157 | 145.2 Ų | 145.2 | 82% | 0.822 | 81% | 0.81 | S | S | * | * | trans | -158.7 | 122 | 156.3 | -101.3 | 160.6 | 0 | 0 | 0 | 110.8 | T301 | T301-L303 PolarHBondContact O-N 3.16Š| ||
| 304 | N | 35.3 | Very low | 34.4 | Very low | 124 Ų | 124 | 145 Ų | 145 | 66% | 0.663 | 81% | 0.81 | S | S | * | * | trans | 88.9 | 47.1 | 165.4 | -58.7 | -18.5 | 0 | 0 | 0 | 120.1 | A306 | N304-A306 PolarHBondContact O-N 3.48Š| ||
| 305 | A | 36.1 | Very low | 34.6 | Very low | 107 Ų | 107 | 143.5 Ų | 143.5 | 88% | 0.884 | 80% | 0.802 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74 | 5.5 | 150.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||
| 306 | A | 35.7 | Very low | 34.9 | Very low | 90 Ų | 90 | 150.7 Ų | 150.7 | 74% | 0.744 | 81% | 0.812 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.5 | 3.6 | -173.1 | 0 | 0 | 0 | 0 | 0 | 115.2 | N304 | N304-A306 PolarHBondContact O-N 3.48Š|
| 307 | H | 33.3 | Very low | 35.4 | Very low | 161 Ų | 161 | 150.5 Ų | 150.5 | 75% | 0.745 | 81% | 0.811 | S | S | * | * | S | Bend | trans | -105.5 | 1.5 | -176.2 | -145.9 | -33.3 | 0 | 0 | 0 | 114.7 | ||
| 308 | L | 37.2 | Very low | 35.4 | Very low | 175 Ų | 175 | 151.8 Ų | 151.8 | 92% | 0.916 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -118.4 | 16.2 | -172.5 | -113.4 | 140.9 | 0 | 0 | 0 | 114.7 | ||
| 309 | E | 37.3 | Very low | 35.7 | Very low | 184 Ų | 184 | 146.7 Ų | 146.7 | 86% | 0.86 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -112.4 | 6.5 | 177.5 | -119 | -179.4 | 177.8 | 0 | 0 | 114 | ||
| 310 | A | 36.1 | Very low | 35.8 | Very low | 82 Ų | 82 | 146.6 Ų | 146.6 | 68% | 0.678 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -104.5 | 12.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||
| 311 | M | 33.8 | Very low | 36.1 | Very low | 193 Ų | 193 | 145.2 Ų | 145.2 | 95% | 0.951 | 80% | 0.804 | S | S | * | * | S | Bend | trans | -125.3 | 16.6 | -175.3 | -68.4 | -74.4 | -80.6 | 0 | 0 | 114.7 | ||
| 312 | G | 32.1 | Very low | 36.1 | Very low | 70 Ų | 70 | 146.2 Ų | 146.2 | 72% | 0.722 | 81% | 0.81 | S | S | * | * | trans | -122.5 | 64.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 313 | T | 39.1 | Very low | 36.6 | Very low | 138 Ų | 138 | 138.8 Ų | 138.8 | 85% | 0.847 | 80% | 0.802 | S | S | * | * | trans | -138.6 | 94.1 | 166.6 | 48.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 314 | E | 39 | Very low | 36.9 | Very low | 189 Ų | 189 | 138.6 Ų | 138.6 | 88% | 0.883 | 80% | 0.802 | S | S | * | * | trans | -68 | 132.7 | 168.9 | -136.1 | -170.6 | -177.4 | 0 | 0 | 110.5 | R316 | E314-R316 PolarHBondContact O-N 2.8Š| ||
| 315 | P | 40.4 | Very low | 37 | Very low | 115 Ų | 115 | 137.7 Ų | 137.7 | 75% | 0.747 | 81% | 0.806 | S | S | * | * | trans | -88.1 | 105.9 | 170.1 | 31 | -26.9 | 0 | 0 | 0 | 110.6 | N317 | P315-N317 PolarHBondContact O-N 3.09Š| ||
| 316 | R | 34.6 | Very low | 37.5 | Very low | 236 Ų | 236 | 138.4 Ų | 138.4 | 89% | 0.891 | 80% | 0.799 | S | S | * | * | trans | -52.6 | 128.9 | 163.5 | -88.5 | 177.4 | 160.9 | 167.6 | -4 | 111.1 | E314 | E314-R316 PolarHBondContact O-N 2.8Š| ||
| 317 | N | 44 | Very low | 37.7 | Very low | 159 Ų | 159 | 140 Ų | 140 | 85% | 0.85 | 80% | 0.802 | S | S | * | * | trans | -135.5 | 129.5 | 154.3 | -80.1 | -41.8 | 0 | 0 | 0 | 111.5 | P315 | P315-N317 PolarHBondContact O-N 3.09Š| ||
| 318 | K | 35.7 | Very low | 38.4 | Very low | 209 Ų | 209 | 140.5 Ų | 140.5 | 91% | 0.909 | 80% | 0.802 | S | S | * | * | trans | -43.3 | 157.6 | 168.9 | -74.7 | 165.8 | 163.4 | 171.7 | 0 | 112 | ||||
| 319 | A | 37.9 | Very low | 38.8 | Very low | 81 Ų | 81 | 139.6 Ų | 139.6 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | cis | -172.5 | 157.1 | 42.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 320 | T | 34.9 | Very low | 38.9 | Very low | 133 Ų | 133 | 138.7 Ų | 138.7 | 82% | 0.816 | 79% | 0.794 | S | S | * | * | trans | 40.9 | 134.2 | 140.5 | 36.2 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 321 | S | 36.8 | Very low | 39.4 | Very low | 98 Ų | 98 | 143.9 Ų | 143.9 | 69% | 0.685 | 80% | 0.801 | S | S | * | * | cis | 178.3 | 152.9 | 29 | 52.7 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 322 | V | 39.4 | Very low | 39.8 | Very low | 148 Ų | 148 | 144.7 Ų | 144.7 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | 68.6 | 128.5 | 142.1 | 176.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 323 | G | 37.4 | Very low | 40.7 | Very low | 65 Ų | 65 | 146.6 Ų | 146.6 | 67% | 0.67 | 80% | 0.802 | S | S | * | * | trans | 133.1 | 80.1 | 139.9 | 0 | 0 | 0 | 0 | 0 | 116.7 | ||||
| 324 | D | 38.6 | Very low | 40.6 | Very low | 153 Ų | 153 | 145.2 Ų | 145.2 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | 27.3 | 116.7 | 133.8 | -69.7 | -27 | 0 | 0 | 0 | 121.1 | ||||
| 325 | S | 38.3 | Very low | 40.8 | Very low | 105 Ų | 105 | 140.4 Ų | 140.4 | 73% | 0.734 | 80% | 0.797 | S | S | * | * | 39.6 | 110.5 | 129.7 | 68.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 326 | V | 45.5 | Very low | 41.1 | Very low | 122 Ų | 122 | 140.7 Ų | 140.7 | 74% | 0.739 | 80% | 0.799 | S | S | * | * | trans | -147.5 | 123.4 | 141.7 | -177.6 | 0 | 0 | 0 | 0 | 109.1 | K328 | V326-K328 HydrophobicContact CG1-CD 4.39Å; V326-K328 HydrophobicContact CG1-CG 4.1Å | ||
| 327 | P | 39.4 | Very low | 41.6 | Very low | 124 Ų | 124 | 139.5 Ų | 139.5 | 81% | 0.805 | 80% | 0.8 | S | S | * | * | trans | -100.1 | 118.9 | 167.6 | 33.6 | -23.1 | 0 | 0 | 0 | 109.9 | ||||
| 328 | K | 49 | Very low | 41.7 | Very low | 172 Ų | 172 | 140.3 Ų | 140.3 | 75% | 0.748 | 80% | 0.796 | S | S | * | * | trans | -154.2 | 145.2 | 169.7 | -73.3 | -172.8 | 179.5 | -178.1 | 0 | 107.6 | V326 | V326-K328 HydrophobicContact CG1-CD 4.39Å; V326-K328 HydrophobicContact CG1-CG 4.1Å | ||
| 329 | E | 45.7 | Very low | 42.2 | Very low | 156 Ų | 156 | 139.5 Ų | 139.5 | 73% | 0.729 | 80% | 0.796 | S | S | * | * | cis | -165.1 | 147.4 | -12.3 | -114.8 | 174.5 | -174.8 | 0 | 0 | 103.2 | F331 | E329-F331 PolarHBondContact O-N 3.33Š| ||
| 330 | N | 38.3 | Very low | 42.7 | Very low | 164 Ų | 164 | 142.5 Ų | 142.5 | 88% | 0.877 | 80% | 0.796 | S | S | * | * | trans | -59.6 | 118.7 | -179.9 | -69.5 | -55.7 | 0 | 0 | 0 | 112.3 | ||||
| 331 | F | 47.6 | Very low | 43.2 | Very low | 192 Ų | 192 | 142.3 Ų | 142.3 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | -106.8 | 103.1 | 157.5 | -93 | -87.2 | 0 | 0 | 0 | 110.1 | E329 S333 | E329-F331 PolarHBondContact O-N 3.33Å; F331-S333 PolarHBondContact O-N 3.47Å | ||
| 332 | K | 41.9 | Very low | 43.6 | Very low | 209 Ų | 209 | 145.8 Ų | 145.8 | 91% | 0.909 | 80% | 0.797 | S | S | * | * | trans | -67.4 | 119.1 | 162.1 | -77.7 | 172.7 | 173.3 | 174.5 | 0 | 108.4 | ||||
| 333 | S | 50.2 | Low | 44.3 | Very low | 111 Ų | 111 | 147.8 Ų | 147.8 | 78% | 0.776 | 79% | 0.794 | S | S | * | * | trans | -136.6 | 117.6 | 157.9 | 44.5 | 0 | 0 | 0 | 0 | 109 | F331 | F331-S333 PolarHBondContact O-N 3.47Š| ||
| 334 | A | 37.8 | Very low | 45.1 | Very low | 108 Ų | 108 | 155.3 Ų | 155.3 | 89% | 0.893 | 80% | 0.802 | S | S | * | * | trans | -65.9 | 127.3 | -174.2 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 335 | A | 42.9 | Very low | 45.5 | Very low | 89 Ų | 89 | 156.3 Ų | 156.3 | 74% | 0.736 | 80% | 0.799 | S | S | * | * | trans | -106.9 | 126.6 | 164.2 | 0 | 0 | 0 | 0 | 0 | 108.7 | K337 | A335-K337 PolarHBondContact O-N 2.85Š| ||
| 336 | P | 46.3 | Very low | 46.2 | Very low | 120 Ų | 120 | 162.2 Ų | 162.2 | 78% | 0.779 | 81% | 0.805 | S | S | * | * | trans | -73.2 | 122.1 | -179.3 | 29.2 | -31.2 | 0 | 0 | 0 | 110 | K338 | P336-K338 PolarHBondContact O-N 3.32Š| ||
| 337 | K | 45.6 | Very low | 46.9 | Very low | 211 Ų | 211 | 162.6 Ų | 162.6 | 92% | 0.917 | 80% | 0.799 | S | S | * | * | trans | -70.3 | 94.4 | 167.9 | -68.6 | -179.3 | 178 | -179.9 | 0 | 108.5 | A335 E339 | A335-K337 PolarHBondContact O-N 2.85Å; K337-E339 PolarHBondContact O-N 3.34Å | ||
| 338 | K | 47 | Very low | 47.9 | Very low | 177 Ų | 177 | 162.7 Ų | 162.7 | 77% | 0.77 | 79% | 0.789 | S | S | * | * | trans | -89.2 | 96.4 | 165.8 | -90.7 | -166 | 174 | -168.1 | 0 | 109.6 | P336 E340 | P336-K338 PolarHBondContact O-N 3.32Å; K338-E340 PolarHBondContact O-N 3.48Å | ||
| 339 | E | 45.2 | Very low | 48.6 | Very low | 192 Ų | 192 | 162.5 Ų | 162.5 | 90% | 0.897 | 79% | 0.79 | S | S | * | * | trans | -70.5 | 86.6 | 162.8 | -169.9 | 169.4 | -157.8 | 0 | 0 | 108.2 | K337 | K337-E339 PolarHBondContact O-N 3.34Š| ||
| 340 | E | 47.8 | Very low | 49.8 | Very low | 144 Ų | 144 | 158.2 Ų | 158.2 | 67% | 0.673 | 78% | 0.778 | S | S | * | * | trans | -161 | 135.5 | 174.8 | -128.5 | 176 | 172.2 | 0 | 0 | 108.9 | K338 | K338-E340 PolarHBondContact O-N 3.48Š| ||
| 341 | N | 46.9 | Very low | 51.6 | Low | 128 Ų | 128 | 154 Ų | 154 | 68% | 0.684 | 75% | 0.754 | S | S | * | * | trans | 107 | 29.9 | 167.1 | -51.6 | -43.4 | 0 | 0 | 0 | 120.5 | K343 | N341-K343 PolarHBondContact O-N 3.28Å; N341-K343 VanDerWaalsContact O-N 3.17Å | ||
| 342 | M | 44.5 | Very low | 53 | Low | 172 Ų | 172 | 148.3 Ų | 148.3 | 85% | 0.847 | 73% | 0.733 | S | S | * | * | trans | -82.5 | 39.2 | 160.6 | -114.5 | -170.1 | 63.3 | 0 | 0 | 113.7 | R344 | M342-R344 VanDerWaalsContact C-N 3.27Š| ||
| 343 | K | 53.5 | Low | 54.8 | Low | 189 Ų | 189 | 142.1 Ų | 142.1 | 82% | 0.822 | 72% | 0.716 | S | S | * | * | trans | -87.2 | 13.5 | 168.5 | -80 | -177.5 | 179 | 174.7 | 0 | 113.2 | N341 F345 | N341-K343 PolarHBondContact O-N 3.28Å; N341-K343 VanDerWaalsContact O-N 3.17Å; K343-F345 VanDerWaalsContact C-N 3.26Å; K343-F345 PolarHBondContact O-N 3.39Å | ||
| 344 | R | 54.4 | Low | 56.2 | Low | 224 Ų | 224 | 142.5 Ų | 142.5 | 85% | 0.845 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.3 | 1.8 | -174.6 | -73.8 | -171.7 | 177.5 | -169.2 | -0.7 | 116 | M342 | M342-R344 VanDerWaalsContact C-N 3.27Š|
| 345 | F | 48.5 | Very low | 58.3 | Low | 174 Ų | 174 | 145.4 Ų | 145.4 | 76% | 0.763 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.2 | 6.3 | -175.2 | -85.7 | -81.4 | 0 | 0 | 0 | 116.2 | K343 | K343-F345 VanDerWaalsContact C-N 3.26Å; K343-F345 PolarHBondContact O-N 3.39Å |
| 346 | R | 52.5 | Low | 60.4 | Low | 228 Ų | 228 | 148.5 Ų | 148.5 | 86% | 0.86 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -93.4 | 4.7 | 179.4 | -69.2 | -165.3 | -177.3 | -165.4 | 0.8 | 115.8 | ||
| 347 | H | 60.1 | Low | 62.1 | Low | 131 Ų | 131 | 145.8 Ų | 145.8 | 61% | 0.606 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -103.3 | -8.7 | -176.5 | -83.5 | -53.6 | 0 | 0 | 0 | 115.7 | S350 I351 | H347-S350 PolarHBondContact O-N 2.95Å; H347-I351 WeakPolarHBondContact O-CG1 3.47Å; H347-I351 PolarHBondContact O-N 3.26Å |
| 348 | Q | 59.5 | Low | 64 | Low | 126 Ų | 126 | 143.2 Ų | 143.2 | 59% | 0.589 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -65 | -46.1 | -177.4 | -153.4 | 76.6 | 7.6 | 0 | 0 | 111.7 | S350 I351 D352 | Q348-S350 VanDerWaalsContact C-N 3.26Å; Q348-S350 PolarHBondContact O-N 3.39Å; Q348-I351 PolarHBondContact O-N 3.38Å; Q348-I351 VanDerWaalsContact O-N 3.15Å; Q348-D352 PolarHBondContact O-N 2.93Å |
| 349 | E | 63.6 | Low | 65.7 | Low | 168 Ų | 168 | 137.3 Ų | 137.3 | 79% | 0.785 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -63.9 | -32.1 | 176.9 | -64.4 | 178.2 | 173.4 | 0 | 0 | 112.5 | S353 | E349-S353 VanDerWaalsContact O-CB 3.27Å; E349-S353 WeakPolarHBondContact O-CB 3.17Å; E349-S353 PolarHBondContact O-N 3.09Å |
| 350 | S | 72.6 | Confident | 67.6 | Low | 66 Ų | 66 | 133.3 Ų | 133.3 | 46% | 0.462 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -69.3 | -37.5 | 175.3 | 174.7 | 0 | 0 | 0 | 0 | 112 | H347 Q348 L354 | H347-S350 PolarHBondContact O-N 2.95Å; Q348-S350 VanDerWaalsContact C-N 3.26Å; Q348-S350 PolarHBondContact O-N 3.39Å; S350-L354 WeakPolarHBondContact O-CB 3.5Å; S350-L354 PolarHBondContact O-N 2.83Å |
| 351 | I | 75.2 | Confident | 69.3 | Low | 75 Ų | 75 | 131.2 Ų | 131.2 | 39% | 0.385 | 62% | 0.621 | S | S | . | * | H | α-helix | trans | -69.9 | -41.9 | 176.9 | -67.4 | 165.5 | 0 | 0 | 0 | 110.5 | H347 Q348 L354 R355 | H347-I351 WeakPolarHBondContact O-CG1 3.47Å; H347-I351 PolarHBondContact O-N 3.26Å; Q348-I351 PolarHBondContact O-N 3.38Å; Q348-I351 VanDerWaalsContact O-N 3.15Å; I351-L354 PolarHBondContact O-N 3.12Å; I351-R355 WeakPolarHBondContact O-CG 3.23Å; I351-R355 PolarHBondContact O-N 3.49Å |
| 352 | D | 77.4 | Confident | 70.9 | Confident | 72 Ų | 72 | 128.9 Ų | 128.9 | 39% | 0.385 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -69.6 | -36.3 | 178.7 | -69.8 | -27.6 | 0 | 0 | 0 | 112.2 | Q348 R355 K356 | Q348-D352 PolarHBondContact O-N 2.93Å; D352-R355 PolarHBondContact O-N 2.97Å; D352-K356 WeakPolarHBondContact O-CG 3.39Å; D352-K356 PolarHBondContact O-N 2.58Å |
| 353 | S | 79.4 | Confident | 72.6 | Confident | 79 Ų | 79 | 125.1 Ų | 125.1 | 55% | 0.552 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -61.7 | -44.1 | 170.7 | -173.9 | 0 | 0 | 0 | 0 | 111.6 | E349 R355 K356 S357 | E349-S353 VanDerWaalsContact O-CB 3.27Å; E349-S353 WeakPolarHBondContact O-CB 3.17Å; E349-S353 PolarHBondContact O-N 3.09Å; S353-R355 PolarHBondContact O-N 2.82Å; S353-K356 PolarHBondContact O-N 2.93Å; S353-S357 PolarHBondContact O-N 3.17Å; S353-S357 PolarHBondContact O-OG 3.3Å |
| 354 | L | 78.9 | Confident | 73.9 | Confident | 120 Ų | 120 | 119.6 Ų | 119.6 | 63% | 0.628 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -64.8 | -38.1 | 177.1 | -158.3 | 85.3 | 0 | 0 | 0 | 112.3 | S350 I351 S357 W358 | S350-L354 WeakPolarHBondContact O-CB 3.5Å; S350-L354 PolarHBondContact O-N 2.83Å; I351-L354 PolarHBondContact O-N 3.12Å; L354-S357 WeakPolarHBondContact CA-OG 3.32Å; L354-S357 PolarHBondContact O-N 3.14Å; L354-S357 PolarHBondContact O-OG 2.98Å; L354-W358 VanDerWaalsContact O-CB 3.29Å; L354-W358 WeakPolarHBondContact O-CB 3.4Å; L354-W358 PolarHBondContact O-N 3.18Å |
| 355 | R | 83.4 | Confident | 74.9 | Confident | 169 Ų | 169 | 115.2 Ų | 115.2 | 64% | 0.638 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.5 | -43.2 | 175.1 | -77.6 | 176.4 | 174.1 | -179.1 | -3.5 | 111.5 | I351 D352 S353 W358 A359 | I351-R355 WeakPolarHBondContact O-CG 3.23Å; I351-R355 PolarHBondContact O-N 3.49Å; D352-R355 PolarHBondContact O-N 2.97Å; S353-R355 PolarHBondContact O-N 2.82Å; R355-W358 PolarHBondContact O-N 3.41Å; R355-A359 WeakPolarHBondContact O-CB 3.36Å; R355-A359 PolarHBondContact O-N 3.28Å |
| 356 | K | 86.2 | Confident | 76.4 | Confident | 154 Ų | 154 | 112.4 Ų | 112.4 | 67% | 0.67 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -65.5 | -42.4 | 175.9 | -73.4 | 178.1 | -178.8 | 179.6 | 0 | 112.1 | D352 S353 W358 A359 N360 | D352-K356 WeakPolarHBondContact O-CG 3.39Å; D352-K356 PolarHBondContact O-N 2.58Å; S353-K356 PolarHBondContact O-N 2.93Å; K356-W358 VanDerWaalsContact C-N 3.35Å; K356-A359 PolarHBondContact O-N 3.21Å; K356-N360 PolarHBondContact O-N 3.16Å; K356-N360 VanDerWaalsContact O-N 3.09Å |
| 357 | S | 82.5 | Confident | 77.6 | Confident | 62 Ų | 62 | 104.9 Ų | 104.9 | 43% | 0.434 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -64.6 | -40.9 | 177.2 | 69.1 | 0 | 0 | 0 | 0 | 111.6 | S353 L354 N360 E361 | S353-S357 PolarHBondContact O-N 3.17Å; S353-S357 PolarHBondContact O-OG 3.3Å; L354-S357 WeakPolarHBondContact CA-OG 3.32Å; L354-S357 PolarHBondContact O-N 3.14Å; L354-S357 PolarHBondContact O-OG 2.98Å; S357-N360 PolarHBondContact O-N 2.98Å; S357-E361 PolarHBondContact O-N 3.32Å |
| 358 | W | 84.2 | Confident | 78.3 | Confident | 158 Ų | 158 | 103.9 Ų | 103.9 | 60% | 0.598 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.6 | -39.8 | 177.3 | -175.4 | 65.4 | 0 | 0 | 0 | 112.5 | L354 R355 K356 E361 Q362 | L354-W358 VanDerWaalsContact O-CB 3.29Å; L354-W358 WeakPolarHBondContact O-CB 3.4Å; L354-W358 PolarHBondContact O-N 3.18Å; R355-W358 PolarHBondContact O-N 3.41Å; K356-W358 VanDerWaalsContact C-N 3.35Å; W358-E361 PolarHBondContact O-N 3.44Å; W358-Q362 HydrophobicContact CD2-CG 4.34Å; W358-Q362 HydrophobicContact CZ2-CG 4.18Å; W358-Q362 WeakPolarHBondContact O-CG 3.42Å; W358-Q362 PolarHBondContact O-N 2.93Å |
| 359 | A | 84.7 | Confident | 79.2 | Confident | 53 Ų | 53 | 101.1 Ų | 101.1 | 44% | 0.438 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -61.7 | -43.1 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | R355 K356 E361 Q362 L363 | R355-A359 WeakPolarHBondContact O-CB 3.36Å; R355-A359 PolarHBondContact O-N 3.28Å; K356-A359 PolarHBondContact O-N 3.21Å; A359-E361 VanDerWaalsContact C-N 3.35Å; A359-E361 PolarHBondContact O-N 3.3Å; A359-Q362 PolarHBondContact O-N 3.04Å; A359-L363 PolarHBondContact O-N 3.29Å |
| 360 | N | 84.2 | Confident | 79.8 | Confident | 108 Ų | 108 | 101.1 Ų | 101.1 | 58% | 0.578 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -64.6 | -37.7 | 175 | -79.2 | -9.6 | 0 | 0 | 0 | 112.5 | K356 S357 L363 T364 | K356-N360 PolarHBondContact O-N 3.16Å; K356-N360 VanDerWaalsContact O-N 3.09Å; S357-N360 PolarHBondContact O-N 2.98Å; N360-L363 PolarHBondContact O-N 2.77Å; N360-T364 WeakPolarHBondContact O-CG2 3.46Å; N360-T364 PolarHBondContact O-N 3.38Å; N360-T364 PolarHBondContact O-OG1 2.93Å |
| 361 | E | 82.9 | Confident | 80.1 | Confident | 100 Ų | 100 | 103.3 Ų | 103.3 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -65.7 | -41.9 | 175.2 | -167.7 | 174.8 | -172.8 | 0 | 0 | 111.3 | S357 W358 A359 L363 T364 F365 | S357-E361 PolarHBondContact O-N 3.32Å; W358-E361 PolarHBondContact O-N 3.44Å; A359-E361 VanDerWaalsContact C-N 3.35Å; A359-E361 PolarHBondContact O-N 3.3Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3Å; E361-T364 WeakPolarHBondContact CA-OG1 3.49Å; E361-T364 PolarHBondContact O-N 2.82Å; E361-T364 PolarHBondContact O-OG1 3.26Å; E361-F365 HydrophobicContact CG-CD2 3.98Å; E361-F365 HydrophobicContact CG-CE2 4.02Å; E361-F365 WeakPolarHBondContact O-CD2 3.42Å; E361-F365 PolarHBondContact O-N 3.5Å |
| 362 | Q | 80.6 | Confident | 80.2 | Confident | 79 Ų | 79 | 106.7 Ų | 106.7 | 37% | 0.369 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.4 | -39.3 | 174.9 | -69.9 | -60.4 | -48 | 0 | 0 | 112.6 | W358 A359 F365 R366 | W358-Q362 HydrophobicContact CD2-CG 4.34Å; W358-Q362 HydrophobicContact CZ2-CG 4.18Å; W358-Q362 WeakPolarHBondContact O-CG 3.42Å; W358-Q362 PolarHBondContact O-N 2.93Å; A359-Q362 PolarHBondContact O-N 3.04Å; Q362-F365 PolarHBondContact O-N 2.94Å; Q362-R366 WeakPolarHBondContact O-CG 3.42Å; Q362-R366 PolarHBondContact O-N 3Å |
| 363 | L | 80.7 | Confident | 80.2 | Confident | 93 Ų | 93 | 107.1 Ų | 107.1 | 49% | 0.487 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 177.3 | -173 | 64.8 | 0 | 0 | 0 | 112 | A359 N360 E361 R366 T367 | A359-L363 PolarHBondContact O-N 3.29Å; N360-L363 PolarHBondContact O-N 2.77Å; E361-L363 VanDerWaalsContact C-N 3.35Å; E361-L363 PolarHBondContact O-N 3Å; L363-R366 PolarHBondContact O-N 2.85Å; L363-T367 WeakPolarHBondContact O-CG2 3.49Å; L363-T367 PolarHBondContact O-N 3.3Å; L363-T367 PolarHBondContact O-OG1 3.35Å |
| 364 | T | 80.1 | Confident | 79.9 | Confident | 73 Ų | 73 | 105.6 Ų | 105.6 | 45% | 0.448 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 175.6 | 46.7 | 0 | 0 | 0 | 0 | 112.2 | N360 E361 T367 H368 | N360-T364 WeakPolarHBondContact O-CG2 3.46Å; N360-T364 PolarHBondContact O-N 3.38Å; N360-T364 PolarHBondContact O-OG1 2.93Å; E361-T364 WeakPolarHBondContact CA-OG1 3.49Å; E361-T364 PolarHBondContact O-N 2.82Å; E361-T364 PolarHBondContact O-OG1 3.26Å; T364-T367 VanDerWaalsContact CA-OG1 3.31Å; T364-T367 WeakPolarHBondContact CA-OG1 3.44Å; T364-T367 PolarHBondContact O-OG1 3.29Å; T364-H368 WeakPolarHBondContact O-CB 3.35Å; T364-H368 PolarHBondContact O-CD2 3.37Å; T364-H368 PolarHBondContact O-N 3.37Å |
| 365 | F | 76.9 | Confident | 79.8 | Confident | 132 Ų | 132 | 104.7 Ų | 104.7 | 58% | 0.579 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -62.5 | -43.5 | 172.6 | -95.7 | -78.7 | 0 | 0 | 0 | 112.7 | E361 Q362 S369 | E361-F365 HydrophobicContact CG-CD2 3.98Å; E361-F365 HydrophobicContact CG-CE2 4.02Å; E361-F365 WeakPolarHBondContact O-CD2 3.42Å; E361-F365 PolarHBondContact O-N 3.5Å; Q362-F365 PolarHBondContact O-N 2.94Å; F365-S369 WeakPolarHBondContact O-CB 3.46Å; F365-S369 PolarHBondContact O-N 3.48Å |
| 366 | R | 79.4 | Confident | 79.4 | Confident | 115 Ų | 115 | 99.4 Ų | 99.4 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -63.3 | -49.2 | 177.5 | -77.1 | -177.8 | -179.7 | -177.2 | 0.6 | 111.7 | Q362 L363 H368 S369 Y370 | Q362-R366 WeakPolarHBondContact O-CG 3.42Å; Q362-R366 PolarHBondContact O-N 3Å; L363-R366 PolarHBondContact O-N 2.85Å; R366-H368 VanDerWaalsContact C-N 3.32Å; R366-H368 PolarHBondContact O-N 3.07Å; R366-S369 WeakPolarHBondContact O-CB 3.45Å; R366-S369 PolarHBondContact O-N 2.68Å; R366-S369 VanDerWaalsContact O-N 3.13Å; R366-Y370 HydrophobicContact CB-CD2 4.47Å; R366-Y370 HydrophobicContact CB-CE2 4.29Å; R366-Y370 WeakPolarHBondContact O-CD2 2.96Å; R366-Y370 PolarHBondContact O-N 2.84Å |
| 367 | T | 76.8 | Confident | 78.8 | Confident | 69 Ų | 69 | 95.6 Ų | 95.6 | 42% | 0.423 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.2 | -40.7 | 179.3 | 44.5 | 0 | 0 | 0 | 0 | 112.1 | L363 T364 Y370 M371 | L363-T367 WeakPolarHBondContact O-CG2 3.49Å; L363-T367 PolarHBondContact O-N 3.3Å; L363-T367 PolarHBondContact O-OG1 3.35Å; T364-T367 VanDerWaalsContact CA-OG1 3.31Å; T364-T367 WeakPolarHBondContact CA-OG1 3.44Å; T364-T367 PolarHBondContact O-OG1 3.29Å; T367-Y370 PolarHBondContact O-N 3.29Å; T367-M371 WeakPolarHBondContact O-CG 3.38Å; T367-M371 PolarHBondContact O-N 3.01Å |
| 368 | H | 74.9 | Confident | 78.5 | Confident | 110 Ų | 110 | 99.3 Ų | 99.3 | 51% | 0.509 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -43.1 | 172.4 | -91.7 | -75.8 | 0 | 0 | 0 | 113.1 | T364 R366 Y370 M371 E372 | T364-H368 WeakPolarHBondContact O-CB 3.35Å; T364-H368 PolarHBondContact O-CD2 3.37Å; T364-H368 PolarHBondContact O-N 3.37Å; R366-H368 VanDerWaalsContact C-N 3.32Å; R366-H368 PolarHBondContact O-N 3.07Å; H368-Y370 VanDerWaalsContact C-N 3.31Å; H368-Y370 PolarHBondContact O-N 2.99Å; H368-M371 PolarHBondContact O-N 2.68Å; H368-E372 PolarHBondContact O-N 2.87Å |
| 369 | S | 78.1 | Confident | 78 | Confident | 68 Ų | 68 | 95 Ų | 95 | 48% | 0.476 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.6 | -42.7 | 176.3 | -173.1 | 0 | 0 | 0 | 0 | 111.5 | F365 R366 E372 T373 | F365-S369 WeakPolarHBondContact O-CB 3.46Å; F365-S369 PolarHBondContact O-N 3.48Å; R366-S369 WeakPolarHBondContact O-CB 3.45Å; R366-S369 PolarHBondContact O-N 2.68Å; R366-S369 VanDerWaalsContact O-N 3.13Å; S369-E372 PolarHBondContact O-N 3.44Å; S369-T373 WeakPolarHBondContact O-CG2 3.21Å; S369-T373 PolarHBondContact O-N 3.34Å; S369-T373 PolarHBondContact O-OG1 2.95Å; S369-T373 VanDerWaalsContact O-OG1 3.06Å |
| 370 | Y | 76.9 | Confident | 77.9 | Confident | 168 Ų | 168 | 99.4 Ų | 99.4 | 66% | 0.659 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -64.2 | -43 | 176.4 | -75.5 | -64 | 0 | 0 | 0 | 111.9 | R366 T367 H368 T373 A374 | R366-Y370 HydrophobicContact CB-CD2 4.47Å; R366-Y370 HydrophobicContact CB-CE2 4.29Å; R366-Y370 WeakPolarHBondContact O-CD2 2.96Å; R366-Y370 PolarHBondContact O-N 2.84Å; T367-Y370 PolarHBondContact O-N 3.29Å; H368-Y370 VanDerWaalsContact C-N 3.31Å; H368-Y370 PolarHBondContact O-N 2.99Å; Y370-T373 WeakPolarHBondContact CA-OG1 3.22Å; Y370-T373 PolarHBondContact O-N 3.37Å; Y370-T373 PolarHBondContact O-OG1 3.08Å; Y370-A374 WeakPolarHBondContact O-CB 3.37Å; Y370-A374 PolarHBondContact O-N 3.49Å |
| 371 | M | 78.4 | Confident | 77.7 | Confident | 113 Ų | 113 | 101.1 Ų | 101.1 | 56% | 0.557 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -62.9 | -41.7 | 175.6 | -76 | -179 | 53.3 | 0 | 0 | 112.6 | T367 H368 A374 I375 | T367-M371 WeakPolarHBondContact O-CG 3.38Å; T367-M371 PolarHBondContact O-N 3.01Å; H368-M371 PolarHBondContact O-N 2.68Å; M371-A374 PolarHBondContact O-N 3.02Å; M371-I375 VanDerWaalsContact O-CG1 3.28Å; M371-I375 WeakPolarHBondContact O-CG1 3.34Å; M371-I375 PolarHBondContact O-N 3.05Å |
| 372 | E | 76.9 | Confident | 77.3 | Confident | 146 Ų | 146 | 103 Ų | 103 | 68% | 0.682 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -66.5 | -40.3 | 178.8 | -167.8 | 171.8 | -173.8 | 0 | 0 | 111.2 | H368 S369 A374 I375 A376 | H368-E372 PolarHBondContact O-N 2.87Å; S369-E372 PolarHBondContact O-N 3.44Å; E372-A374 VanDerWaalsContact C-N 3.34Å; E372-A374 PolarHBondContact O-N 3.35Å; E372-I375 PolarHBondContact O-N 2.83Å; E372-A376 VanDerWaalsContact O-CB 3.31Å; E372-A376 WeakPolarHBondContact O-CB 3.43Å; E372-A376 PolarHBondContact O-N 3.44Å |
| 373 | T | 77.3 | Confident | 76.9 | Confident | 81 Ų | 81 | 101.8 Ų | 101.8 | 50% | 0.497 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.7 | -35.4 | 173.4 | 51.5 | 0 | 0 | 0 | 0 | 112.8 | S369 Y370 S377 | S369-T373 WeakPolarHBondContact O-CG2 3.21Å; S369-T373 PolarHBondContact O-N 3.34Å; S369-T373 PolarHBondContact O-OG1 2.95Å; S369-T373 VanDerWaalsContact O-OG1 3.06Å; Y370-T373 WeakPolarHBondContact CA-OG1 3.22Å; Y370-T373 PolarHBondContact O-N 3.37Å; Y370-T373 PolarHBondContact O-OG1 3.08Å; T373-S377 WeakPolarHBondContact O-CB 3.24Å; T373-S377 PolarHBondContact O-N 3.45Å; T373-S377 PolarHBondContact O-OG 2.73Å |
| 374 | A | 73.1 | Confident | 76.6 | Confident | 47 Ų | 47 | 103.1 Ų | 103.1 | 39% | 0.388 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -69.3 | -42.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | Y370 M371 E372 A376 S377 E378 | Y370-A374 WeakPolarHBondContact O-CB 3.37Å; Y370-A374 PolarHBondContact O-N 3.49Å; M371-A374 PolarHBondContact O-N 3.02Å; E372-A374 VanDerWaalsContact C-N 3.34Å; E372-A374 PolarHBondContact O-N 3.35Å; A374-A376 VanDerWaalsContact C-N 3.33Å; A374-A376 PolarHBondContact O-N 3.1Å; A374-S377 PolarHBondContact O-N 2.93Å; A374-S377 PolarHBondContact O-OG 3.19Å; A374-E378 WeakPolarHBondContact O-CB 3.38Å; A374-E378 PolarHBondContact O-N 3.27Å |
| 375 | I | 76.9 | Confident | 76.3 | Confident | 101 Ų | 101 | 105.5 Ų | 105.5 | 52% | 0.518 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -65.1 | -40.2 | 175.3 | -66.7 | 164.9 | 0 | 0 | 0 | 110.5 | M371 E372 S379 | M371-I375 VanDerWaalsContact O-CG1 3.28Å; M371-I375 WeakPolarHBondContact O-CG1 3.34Å; M371-I375 PolarHBondContact O-N 3.05Å; E372-I375 PolarHBondContact O-N 2.83Å; I375-S379 VanDerWaalsContact O-CB 3.27Å; I375-S379 WeakPolarHBondContact O-CB 3.45Å; I375-S379 PolarHBondContact O-N 3.46Å; I375-S379 PolarHBondContact O-OG 3.33Å |
| 376 | A | 76.4 | Confident | 76 | Confident | 58 Ų | 58 | 102.1 Ų | 102.1 | 48% | 0.479 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -66.1 | -39.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | E372 A374 K380 | E372-A376 VanDerWaalsContact O-CB 3.31Å; E372-A376 WeakPolarHBondContact O-CB 3.43Å; E372-A376 PolarHBondContact O-N 3.44Å; A374-A376 VanDerWaalsContact C-N 3.33Å; A374-A376 PolarHBondContact O-N 3.1Å; A376-K380 WeakPolarHBondContact O-CB 3.19Å; A376-K380 PolarHBondContact O-N 3.19Å |
| 377 | S | 73.9 | Confident | 75.2 | Confident | 73 Ų | 73 | 99.8 Ų | 99.8 | 51% | 0.51 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -70.5 | -40.9 | 177.3 | 65.3 | 0 | 0 | 0 | 0 | 112.1 | T373 A374 K380 K381 | T373-S377 WeakPolarHBondContact O-CB 3.24Å; T373-S377 PolarHBondContact O-N 3.45Å; T373-S377 PolarHBondContact O-OG 2.73Å; A374-S377 PolarHBondContact O-N 2.93Å; A374-S377 PolarHBondContact O-OG 3.19Å; S377-K380 PolarHBondContact O-N 3.14Å; S377-K381 WeakPolarHBondContact O-CB 3.47Å; S377-K381 PolarHBondContact O-N 2.81Å |
| 378 | E | 74.9 | Confident | 74.5 | Confident | 140 Ų | 140 | 102.6 Ų | 102.6 | 65% | 0.654 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -63.5 | -42 | 172.9 | -78.1 | -172.2 | 165.9 | 0 | 0 | 112 | A374 K380 K381 F382 | A374-E378 WeakPolarHBondContact O-CB 3.38Å; A374-E378 PolarHBondContact O-N 3.27Å; E378-K380 VanDerWaalsContact C-N 3.34Å; E378-K380 PolarHBondContact O-N 3.41Å; E378-K381 PolarHBondContact O-N 3.15Å; E378-F382 WeakPolarHBondContact O-CB 3.42Å; E378-F382 PolarHBondContact O-N 3.23Å |
| 379 | S | 75 | Confident | 73.5 | Confident | 69 Ų | 69 | 105.1 Ų | 105.1 | 48% | 0.483 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -64.1 | -39.3 | 177 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | I375 F382 A383 | I375-S379 VanDerWaalsContact O-CB 3.27Å; I375-S379 WeakPolarHBondContact O-CB 3.45Å; I375-S379 PolarHBondContact O-N 3.46Å; I375-S379 PolarHBondContact O-OG 3.33Å; S379-F382 PolarHBondContact O-N 3.12Å; S379-A383 WeakPolarHBondContact O-CB 3.47Å; S379-A383 PolarHBondContact O-N 3Å |
| 380 | K | 82 | Confident | 72.2 | Confident | 144 Ų | 144 | 108.1 Ų | 108.1 | 63% | 0.626 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -66.4 | -41.5 | 174.9 | -172.3 | 178.5 | 179.4 | -174.7 | 0 | 111.4 | A376 S377 E378 A383 M384 | A376-K380 WeakPolarHBondContact O-CB 3.19Å; A376-K380 PolarHBondContact O-N 3.19Å; S377-K380 PolarHBondContact O-N 3.14Å; E378-K380 VanDerWaalsContact C-N 3.34Å; E378-K380 PolarHBondContact O-N 3.41Å; K380-A383 PolarHBondContact O-N 2.66Å; K380-M384 HydrophobicContact CG-SD 4.44Å; K380-M384 WeakPolarHBondContact O-CG 3.34Å; K380-M384 PolarHBondContact O-N 3.44Å |
| 381 | K | 80.3 | Confident | 70.9 | Confident | 145 Ų | 145 | 105.6 Ų | 105.6 | 63% | 0.63 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -60.9 | -45.9 | 175.3 | -173.3 | -178.4 | 175.1 | -173.5 | 0 | 111.2 | S377 E378 A383 M384 E385 | S377-K381 WeakPolarHBondContact O-CB 3.47Å; S377-K381 PolarHBondContact O-N 2.81Å; E378-K381 PolarHBondContact O-N 3.15Å; K381-A383 PolarHBondContact O-N 3.28Å; K381-M384 PolarHBondContact O-N 3.36Å; K381-E385 WeakPolarHBondContact O-CB 3.01Å; K381-E385 PolarHBondContact O-N 3.35Å |
| 382 | F | 74.2 | Confident | 69.4 | Low | 139 Ų | 139 | 108.7 Ų | 108.7 | 61% | 0.61 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -62.7 | -40.3 | 176.7 | -175.3 | -99.3 | 0 | 0 | 0 | 112.6 | E378 S379 M384 E385 T386 | E378-F382 WeakPolarHBondContact O-CB 3.42Å; E378-F382 PolarHBondContact O-N 3.23Å; S379-F382 PolarHBondContact O-N 3.12Å; F382-M384 VanDerWaalsContact C-N 3.35Å; F382-E385 PolarHBondContact O-N 3.25Å; F382-T386 HydrophobicContact CD1-CG2 4.31Å; F382-T386 HydrophobicContact CE1-CG2 3.89Å; F382-T386 HydrophobicContact CE2-CG2 4.25Å; F382-T386 HydrophobicContact CZ-CG2 3.86Å; F382-T386 WeakPolarHBondContact O-CB 3.23Å; F382-T386 WeakPolarHBondContact O-CG2 3.35Å; F382-T386 PolarHBondContact O-N 3.05Å; F382-T386 PolarHBondContact O-OG1 3.15Å |
| 383 | A | 72.3 | Confident | 67.9 | Low | 54 Ų | 54 | 107 Ų | 107 | 45% | 0.446 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -64.9 | -37.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | S379 K380 K381 T386 A387 | S379-A383 WeakPolarHBondContact O-CB 3.47Å; S379-A383 PolarHBondContact O-N 3Å; K380-A383 PolarHBondContact O-N 2.66Å; K381-A383 PolarHBondContact O-N 3.28Å; A383-T386 WeakPolarHBondContact CA-OG1 3.26Å; A383-T386 PolarHBondContact O-OG1 3.27Å; A383-A387 VanDerWaalsContact O-CB 3.3Å; A383-A387 WeakPolarHBondContact O-CB 3.44Å; A383-A387 PolarHBondContact O-N 3.23Å; A383-A387 VanDerWaalsContact O-N 3.1Å |
| 384 | M | 74.4 | Confident | 66.4 | Low | 121 Ų | 121 | 108.7 Ų | 108.7 | 60% | 0.596 | 60% | 0.6 | S | S | * | * | H | α-helix | trans | -70.3 | -40.8 | 174.8 | -71.9 | 179.8 | 67 | 0 | 0 | 111.9 | K380 K381 F382 A387 V388 | K380-M384 HydrophobicContact CG-SD 4.44Å; K380-M384 WeakPolarHBondContact O-CG 3.34Å; K380-M384 PolarHBondContact O-N 3.44Å; K381-M384 PolarHBondContact O-N 3.36Å; F382-M384 VanDerWaalsContact C-N 3.35Å; M384-A387 PolarHBondContact O-N 3.06Å; M384-V388 WeakPolarHBondContact O-CG2 3.49Å; M384-V388 PolarHBondContact O-N 3.16Å; M384-V388 VanDerWaalsContact O-N 3.12Å |
| 385 | E | 74 | Confident | 65 | Low | 122 Ų | 122 | 115.8 Ų | 115.8 | 57% | 0.57 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -64.3 | -42.9 | 178.3 | -166.1 | 165.1 | -169.7 | 0 | 0 | 111.4 | K381 F382 A387 V388 E389 | K381-E385 WeakPolarHBondContact O-CB 3.01Å; K381-E385 PolarHBondContact O-N 3.35Å; F382-E385 PolarHBondContact O-N 3.25Å; E385-A387 VanDerWaalsContact C-N 3.34Å; E385-A387 PolarHBondContact O-N 3.48Å; E385-V388 PolarHBondContact O-N 3.36Å; E385-E389 PolarHBondContact O-N 3.17Å |
| 386 | T | 69 | Low | 63.3 | Low | 61 Ų | 61 | 115.1 Ų | 115.1 | 37% | 0.374 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -71 | -24.4 | 175.1 | 51 | 0 | 0 | 0 | 0 | 114.1 | F382 A383 | F382-T386 HydrophobicContact CD1-CG2 4.31Å; F382-T386 HydrophobicContact CE1-CG2 3.89Å; F382-T386 HydrophobicContact CE2-CG2 4.25Å; F382-T386 HydrophobicContact CZ-CG2 3.86Å; F382-T386 WeakPolarHBondContact O-CB 3.23Å; F382-T386 WeakPolarHBondContact O-CG2 3.35Å; F382-T386 PolarHBondContact O-N 3.05Å; F382-T386 PolarHBondContact O-OG1 3.15Å; A383-T386 WeakPolarHBondContact CA-OG1 3.26Å; A383-T386 PolarHBondContact O-OG1 3.27Å |
| 387 | A | 62.9 | Low | 61.8 | Low | 67 Ų | 67 | 119.2 Ų | 119.2 | 55% | 0.554 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -76.5 | -29.6 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | A383 M384 E385 | A383-A387 VanDerWaalsContact O-CB 3.3Å; A383-A387 WeakPolarHBondContact O-CB 3.44Å; A383-A387 PolarHBondContact O-N 3.23Å; A383-A387 VanDerWaalsContact O-N 3.1Å; M384-A387 PolarHBondContact O-N 3.06Å; E385-A387 VanDerWaalsContact C-N 3.34Å; E385-A387 PolarHBondContact O-N 3.48Å |
| 388 | V | 62.1 | Low | 60.1 | Low | 127 Ų | 127 | 120.2 Ų | 120.2 | 77% | 0.77 | 67% | 0.669 | S | S | * | * | H | α-helix | trans | -74.4 | -31.6 | 175.3 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | M384 E385 | M384-V388 WeakPolarHBondContact O-CG2 3.49Å; M384-V388 PolarHBondContact O-N 3.16Å; M384-V388 VanDerWaalsContact O-N 3.12Å; E385-V388 PolarHBondContact O-N 3.36Å |
| 389 | E | 55.3 | Low | 58.4 | Low | 163 Ų | 163 | 121.5 Ų | 121.5 | 76% | 0.762 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -79.9 | -15.3 | -176.7 | -144.6 | 170.4 | -157.9 | 0 | 0 | 113.8 | E385 | E385-E389 PolarHBondContact O-N 3.17Å |
| 390 | K | 50.8 | Low | 56.9 | Low | 132 Ų | 132 | 127.9 Ų | 127.9 | 57% | 0.574 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -114.9 | 95.9 | 171.5 | -73.3 | -176.9 | 178.8 | 177.8 | 0 | 110.4 | Q392 | K390-Q392 PolarHBondContact O-N 3.38Š|
| 391 | P | 49.1 | Very low | 55 | Low | 115 Ų | 115 | 127.8 Ų | 127.8 | 75% | 0.747 | 71% | 0.708 | S | S | * | * | trans | -59.6 | 112.5 | 162.1 | 25.7 | -30.3 | 0 | 0 | 0 | 106.4 | S393 | P391-S393 VanDerWaalsContact C-N 3.29Å; P391-S393 PolarHBondContact O-N 3.02Å | ||
| 392 | Q | 47.5 | Very low | 53.3 | Low | 177 Ų | 177 | 126.3 Ų | 126.3 | 83% | 0.827 | 71% | 0.713 | S | S | * | * | trans | -55.9 | 99.2 | 172.1 | -80.6 | -173.5 | -31.5 | 0 | 0 | 108.2 | K390 V394 | K390-Q392 PolarHBondContact O-N 3.38Å; Q392-V394 HydrophobicContact CB-CG2 4.29Å; Q392-V394 PolarHBondContact O-N 3.44Å | ||
| 393 | S | 44.2 | Very low | 52 | Low | 111 Ų | 111 | 126.9 Ų | 126.9 | 78% | 0.776 | 72% | 0.722 | S | S | * | * | trans | -71 | 66.7 | 164.5 | 66.6 | 0 | 0 | 0 | 0 | 108.2 | P391 | P391-S393 VanDerWaalsContact C-N 3.29Å; P391-S393 PolarHBondContact O-N 3.02Å | ||
| 394 | V | 45.7 | Very low | 50.4 | Low | 117 Ų | 117 | 131.5 Ų | 131.5 | 71% | 0.709 | 74% | 0.739 | S | S | * | * | trans | -128.9 | 65.5 | 176.1 | -171.7 | 0 | 0 | 0 | 0 | 107 | Q392 | Q392-V394 HydrophobicContact CB-CG2 4.29Å; Q392-V394 PolarHBondContact O-N 3.44Å | ||
| 395 | M | 43.6 | Very low | 49 | Very low | 195 Ų | 195 | 134.8 Ų | 134.8 | 96% | 0.961 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -170.7 | 32.9 | 165 | -97.2 | -94.7 | -96.9 | 0 | 0 | 111.9 | ||
| 396 | A | 40.9 | Very low | 47.7 | Very low | 88 Ų | 88 | 134.7 Ų | 134.7 | 73% | 0.727 | 76% | 0.758 | S | S | * | * | S | Bend | trans | -120.9 | 4.2 | -175.8 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||
| 397 | T | 45.1 | Very low | 46.4 | Very low | 144 Ų | 144 | 139.9 Ų | 139.9 | 88% | 0.883 | 78% | 0.783 | S | S | * | * | S | Bend | trans | -137 | 59.8 | -175.9 | 40.4 | 0 | 0 | 0 | 0 | 112.6 | ||
| 398 | A | 39.6 | Very low | 45.4 | Very low | 93 Ų | 93 | 145.4 Ų | 145.4 | 77% | 0.769 | 79% | 0.794 | S | S | * | * | S | Bend | trans | -164.5 | 61.9 | 163 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||
| 399 | L | 39.4 | Very low | 44.3 | Very low | 167 Ų | 167 | 150.9 Ų | 150.9 | 87% | 0.874 | 80% | 0.802 | S | S | * | * | trans | -170.3 | 70 | 162.6 | -101.3 | 151.8 | 0 | 0 | 0 | 108.6 | ||||
| 400 | H | 42 | Very low | 43.6 | Very low | 203 Ų | 203 | 147.2 Ų | 147.2 | 94% | 0.94 | 80% | 0.799 | S | S | * | * | trans | -113.9 | 73.9 | 166.2 | -132.9 | 49.5 | 0 | 0 | 0 | 107.6 | ||||
| 401 | D | 43.7 | Very low | 43 | Very low | 142 Ų | 142 | 149.6 Ų | 149.6 | 76% | 0.759 | 81% | 0.814 | S | S | * | * | trans | -111.4 | 110.1 | 171.2 | -130.9 | -13.4 | 0 | 0 | 0 | 107 | N403 | D401-N403 VanDerWaalsContact C-N 3.34Å; D401-N403 PolarHBondContact O-N 3.47Å | ||
| 402 | P | 44.4 | Very low | 42.4 | Very low | 114 Ų | 114 | 150 Ų | 150 | 74% | 0.74 | 82% | 0.82 | S | S | * | * | trans | -85.2 | 80.7 | -178.9 | 33.7 | -30.4 | 0 | 0 | 0 | 108.6 | ||||
| 403 | N | 45.8 | Very low | 42 | Very low | 152 Ų | 152 | 148 Ų | 148 | 81% | 0.813 | 82% | 0.82 | S | S | * | * | trans | -124.3 | 94.5 | 166.4 | -139.8 | -24.3 | 0 | 0 | 0 | 111.5 | D401 K405 | D401-N403 VanDerWaalsContact C-N 3.34Å; D401-N403 PolarHBondContact O-N 3.47Å; N403-K405 PolarHBondContact O-N 3.44Å | ||
| 404 | L | 38.1 | Very low | 41.7 | Very low | 151 Ų | 151 | 147.9 Ų | 147.9 | 79% | 0.791 | 83% | 0.826 | S | S | * | * | trans | -66.4 | 111.2 | 173 | -73.9 | 101.2 | 0 | 0 | 0 | 110.2 | ||||
| 405 | K | 45.9 | Very low | 41.2 | Very low | 190 Ų | 190 | 146.9 Ų | 146.9 | 83% | 0.826 | 83% | 0.83 | S | S | * | * | trans | 174.1 | 131.6 | 131.9 | -94.4 | 155.1 | -172.7 | 179.2 | 0 | 109.4 | N403 | N403-K405 PolarHBondContact O-N 3.44Š| ||
| 406 | T | 45.7 | Very low | 41 | Very low | 120 Ų | 120 | 144.9 Ų | 144.9 | 74% | 0.736 | 82% | 0.818 | S | S | * | * | trans | 64.7 | 94.7 | 162.8 | 65 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 407 | N | 43.3 | Very low | 41 | Very low | 169 Ų | 169 | 150.6 Ų | 150.6 | 90% | 0.904 | 82% | 0.821 | S | S | * | * | -176.6 | 128.1 | 112.8 | -87.9 | -24.6 | 0 | 0 | 0 | 111.6 | |||||
| 408 | K | 41.7 | Very low | 40.5 | Very low | 183 Ų | 183 | 149.4 Ų | 149.4 | 80% | 0.796 | 82% | 0.818 | S | S | * | * | trans | -87.7 | 163.1 | 176.3 | -77.8 | 179.6 | 170.9 | -178 | 0 | 110 | ||||
| 409 | W | 38.5 | Very low | 40.3 | Very low | 243 Ų | 243 | 149.9 Ų | 149.9 | 92% | 0.92 | 82% | 0.823 | S | S | * | * | trans | 90.1 | 131.9 | 161.7 | -57.2 | 83 | 0 | 0 | 0 | 115.5 | ||||
| 410 | A | 39.9 | Very low | 40.1 | Very low | 86 Ų | 86 | 150.6 Ų | 150.6 | 71% | 0.711 | 82% | 0.824 | S | S | * | * | cis | -175.2 | 115.1 | -28.3 | 0 | 0 | 0 | 0 | 0 | 102.9 | ||||
| 411 | M | 38.7 | Very low | 39.9 | Very low | 181 Ų | 181 | 148 Ų | 148 | 89% | 0.892 | 82% | 0.821 | S | S | * | * | trans | -99.2 | 116.6 | 166.4 | -80.1 | -143.6 | -69 | 0 | 0 | 108.2 | ||||
| 412 | S | 36.7 | Very low | 39.6 | Very low | 125 Ų | 125 | 147.5 Ų | 147.5 | 87% | 0.874 | 82% | 0.824 | S | S | * | * | trans | -100.5 | 103.6 | 163.9 | -79.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 413 | T | 39.6 | Very low | 39.2 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 82% | 0.822 | 83% | 0.826 | S | S | * | * | trans | -118.6 | 111.1 | 156.9 | 32.5 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 414 | A | 37.9 | Very low | 38.8 | Very low | 108 Ų | 108 | 143.7 Ų | 143.7 | 89% | 0.893 | 82% | 0.823 | S | S | * | * | trans | -109.4 | 108.1 | 167.8 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 415 | A | 35.4 | Very low | 38.9 | Very low | 96 Ų | 96 | 145.9 Ų | 145.9 | 79% | 0.793 | 83% | 0.829 | S | S | * | * | trans | -89.7 | 133.1 | 157.4 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 416 | E | 39.4 | Very low | 38.4 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 72% | 0.715 | 83% | 0.831 | S | S | * | * | trans | -163.2 | 114.8 | 142.9 | -111.1 | -169.5 | 145.8 | 0 | 0 | 111.9 | ||||
| 417 | R | 39.4 | Very low | 38.1 | Very low | 208 Ų | 208 | 139.1 Ų | 139.1 | 79% | 0.785 | 84% | 0.838 | S | S | * | * | 64.3 | 113.8 | 128.1 | -71.5 | 176 | 172 | 163.4 | -11 | 120.8 | |||||
| 418 | S | 35 | Very low | 37.7 | Very low | 119 Ų | 119 | 134.9 Ų | 134.9 | 83% | 0.832 | 83% | 0.833 | S | S | * | * | 50.2 | 112.5 | 122.6 | -58.5 | 0 | 0 | 0 | 0 | 119.3 | |||||
| 419 | A | 35.4 | Very low | 37.5 | Very low | 104 Ų | 104 | 134.9 Ų | 134.9 | 86% | 0.86 | 84% | 0.838 | S | S | * | * | 171.9 | 133.8 | 103.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | |||||
| 420 | M | 35.5 | Very low | 37.5 | Very low | 182 Ų | 182 | 129.9 Ų | 129.9 | 90% | 0.897 | 84% | 0.835 | S | S | * | * | trans | -53.5 | 137.1 | 168.3 | -66.2 | 165.3 | 145 | 0 | 0 | 112.4 | ||||
| 421 | V | 38.6 | Very low | 37.4 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 89% | 0.891 | 84% | 0.839 | S | S | * | * | trans | -152 | 120.1 | 133.1 | 178.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 422 | T | 35.8 | Very low | 37.5 | Very low | 133 Ų | 133 | 128 Ų | 128 | 82% | 0.816 | 83% | 0.834 | S | S | * | * | trans | -79 | 137.6 | 169.8 | -11.8 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 423 | A | 37.8 | Very low | 37.5 | Very low | 94 Ų | 94 | 126.6 Ų | 126.6 | 78% | 0.777 | 83% | 0.83 | S | S | * | * | trans | 166.7 | 108.5 | 146.6 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 424 | A | 37 | Very low | 37.4 | Very low | 91 Ų | 91 | 128.8 Ų | 128.8 | 75% | 0.752 | 83% | 0.831 | S | S | * | * | 97.5 | 127.8 | 74.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 425 | E | 38.7 | Very low | 37.4 | Very low | 197 Ų | 197 | 130.1 Ų | 130.1 | 92% | 0.921 | 83% | 0.828 | S | S | * | * | trans | 79 | 123 | 153.3 | -70.9 | -175.8 | 145.8 | 0 | 0 | 122.5 | ||||
| 426 | G | 37.5 | Very low | 37.5 | Very low | 85 Ų | 85 | 129.3 Ų | 129.3 | 88% | 0.876 | 83% | 0.83 | S | S | * | * | trans | 90 | 115.8 | 145.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 427 | G | 37.4 | Very low | 37.3 | Very low | 84 Ų | 84 | 130.4 Ų | 130.4 | 87% | 0.866 | 84% | 0.837 | S | S | * | * | cis | 128.2 | 141.5 | 28.7 | 0 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 428 | G | 35.6 | Very low | 37.4 | Very low | 79 Ų | 79 | 129.7 Ų | 129.7 | 81% | 0.814 | 85% | 0.845 | S | S | * | * | trans | 114 | 101.2 | 158.5 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 429 | M | 38 | Very low | 37.4 | Very low | 183 Ų | 183 | 130.2 Ų | 130.2 | 90% | 0.901 | 84% | 0.843 | S | S | * | * | trans | -38.7 | 158.6 | 161.5 | -60.8 | 169 | -79.4 | 0 | 0 | 115.9 | ||||
| 430 | V | 38.6 | Very low | 37.5 | Very low | 139 Ų | 139 | 129.4 Ų | 129.4 | 84% | 0.842 | 84% | 0.836 | S | S | * | * | -178.8 | 135.1 | 111.6 | 157.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 431 | T | 38.4 | Very low | 37.6 | Very low | 132 Ų | 132 | 125.1 Ų | 125.1 | 81% | 0.81 | 83% | 0.83 | S | S | * | * | trans | -77.2 | 147.5 | 174 | 41.4 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 432 | A | 39.8 | Very low | 37.5 | Very low | 94 Ų | 94 | 127 Ų | 127 | 78% | 0.777 | 83% | 0.829 | S | S | * | * | trans | -172.9 | 114.7 | 143.3 | 0 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 433 | A | 36.5 | Very low | 37.5 | Very low | 96 Ų | 96 | 124.7 Ų | 124.7 | 79% | 0.793 | 83% | 0.831 | S | S | * | * | 67.3 | 113.5 | 71.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 434 | E | 38.4 | Very low | 37.4 | Very low | 181 Ų | 181 | 123.6 Ų | 123.6 | 85% | 0.846 | 83% | 0.829 | S | S | * | * | trans | 150.2 | 100.5 | 144.3 | -88.1 | -169.9 | 151.5 | 0 | 0 | 110.5 | ||||
| 435 | T | 37 | Very low | 37.4 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 83% | 0.828 | 84% | 0.835 | S | S | * | * | 64.3 | 118.6 | 95.3 | 54 | 0 | 0 | 0 | 0 | 115.6 | |||||
| 436 | G | 37.2 | Very low | 37.3 | Very low | 80 Ų | 80 | 124.1 Ų | 124.1 | 83% | 0.825 | 83% | 0.827 | S | S | * | * | trans | -177.2 | 100.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 437 | M | 36.8 | Very low | 37.4 | Very low | 176 Ų | 176 | 126.7 Ų | 126.7 | 87% | 0.867 | 83% | 0.825 | S | S | * | * | trans | -64.1 | 155.3 | -177 | -53.7 | -163.1 | -72.3 | 0 | 0 | 114.2 | ||||
| 438 | M | 39.7 | Very low | 37.3 | Very low | 192 Ų | 192 | 126.6 Ų | 126.6 | 95% | 0.946 | 82% | 0.816 | S | S | * | * | -176.3 | 153 | 120.4 | -87 | -121.1 | 178.3 | 0 | 0 | 112.6 | |||||
| 439 | T | 36.4 | Very low | 37.2 | Very low | 131 Ų | 131 | 129 Ų | 129 | 80% | 0.804 | 82% | 0.816 | S | S | * | * | trans | -110.8 | 170.5 | -151.6 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 440 | A | 37.5 | Very low | 37.2 | Very low | 86 Ų | 86 | 128.2 Ų | 128.2 | 71% | 0.711 | 81% | 0.81 | S | S | * | * | trans | 94.3 | 110.7 | 148.9 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 441 | A | 36.6 | Very low | 37 | Very low | 92 Ų | 92 | 132.9 Ų | 132.9 | 76% | 0.76 | 81% | 0.812 | S | S | * | * | 99.8 | 141.8 | 96.1 | 0 | 0 | 0 | 0 | 0 | 108.4 | |||||
| 442 | E | 37.5 | Very low | 37 | Very low | 188 Ų | 188 | 130.1 Ų | 130.1 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | cis | -179.3 | 145.8 | 33.1 | -143.3 | 171.2 | -169.8 | 0 | 0 | 107.7 | ||||
| 443 | G | 36.1 | Very low | 36.8 | Very low | 84 Ų | 84 | 133.8 Ų | 133.8 | 87% | 0.866 | 81% | 0.813 | S | S | * | * | trans | 66 | 145.7 | 149.2 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 444 | G | 33.8 | Very low | 36.8 | Very low | 70 Ų | 70 | 139.3 Ų | 139.3 | 72% | 0.722 | 82% | 0.82 | S | S | * | * | cis | 153.7 | 155.1 | 9 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 445 | M | 38.8 | Very low | 36.6 | Very low | 179 Ų | 179 | 137 Ų | 137 | 88% | 0.882 | 82% | 0.818 | S | S | * | * | trans | 78.6 | 109.1 | 163 | -51.3 | -162.3 | 170.7 | 0 | 0 | 117.6 | ||||
| 446 | T | 34.8 | Very low | 36.4 | Very low | 121 Ų | 121 | 135.3 Ų | 135.3 | 74% | 0.742 | 82% | 0.818 | S | S | * | * | 71.8 | 140.2 | 58.8 | 67.3 | 0 | 0 | 0 | 0 | 117.1 | |||||
| 447 | T | 40.1 | Very low | 36.2 | Very low | 139 Ų | 139 | 136.1 Ų | 136.1 | 85% | 0.853 | 82% | 0.817 | S | S | * | * | trans | 86.2 | 144.6 | 163.5 | 72.2 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 448 | A | 36.4 | Very low | 35.9 | Very low | 82 Ų | 82 | 136.3 Ų | 136.3 | 68% | 0.678 | 82% | 0.816 | S | S | * | * | cis | -173.2 | 147.4 | -6 | 0 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 449 | T | 32.7 | Very low | 36 | Very low | 130 Ų | 130 | 133 Ų | 133 | 80% | 0.798 | 81% | 0.809 | S | S | * | * | trans | 38.7 | 123.4 | 130.2 | -35.9 | 0 | 0 | 0 | 0 | 121.8 | ||||
| 450 | Q | 37.6 | Very low | 36.4 | Very low | 166 Ų | 166 | 134.4 Ų | 134.4 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | 169.4 | 121.2 | 117.7 | -95.1 | -178.7 | -1.4 | 0 | 0 | 110.5 | |||||
| 451 | R | 33.9 | Very low | 36.4 | Very low | 236 Ų | 236 | 137.8 Ų | 137.8 | 89% | 0.891 | 81% | 0.805 | S | S | * | * | 80.2 | 114.6 | 75.8 | -151.6 | -174.7 | -155.9 | -176.8 | 4.8 | 112.4 | |||||
| 452 | G | 39.3 | Very low | 36.6 | Very low | 75 Ų | 75 | 142.5 Ų | 142.5 | 77% | 0.773 | 81% | 0.813 | S | S | * | * | trans | 179.7 | 85.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 453 | M | 34.9 | Very low | 36.6 | Very low | 170 Ų | 170 | 145 Ų | 145 | 84% | 0.837 | 81% | 0.814 | S | S | * | * | trans | -67.7 | 140.3 | 167.4 | -55.4 | -177.4 | -58 | 0 | 0 | 110.2 | ||||
| 454 | F | 37.7 | Very low | 36.7 | Very low | 212 Ų | 212 | 147.9 Ų | 147.9 | 93% | 0.93 | 82% | 0.815 | S | S | * | * | trans | -147.1 | 101.9 | 147.4 | -90.9 | -77 | 0 | 0 | 0 | 110.9 | ||||
| 455 | T | 34.7 | Very low | 36.9 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 81% | 0.81 | 82% | 0.817 | S | S | * | * | trans | -73.9 | 135.5 | 151.3 | 39.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 456 | A | 31.6 | Very low | 37 | Very low | 101 Ų | 101 | 148.5 Ų | 148.5 | 84% | 0.835 | 82% | 0.816 | S | S | * | * | trans | 148.1 | 121.3 | 137.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 457 | A | 33.8 | Very low | 37.3 | Very low | 97 Ų | 97 | 148.5 Ų | 148.5 | 80% | 0.802 | 82% | 0.816 | S | S | * | * | 149.9 | 107.2 | 120.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | |||||
| 458 | E | 30.6 | Very low | 37.2 | Very low | 179 Ų | 179 | 149.8 Ų | 149.8 | 84% | 0.836 | 81% | 0.812 | S | S | * | * | trans | -61.1 | 154.3 | 159 | -66.7 | -178.8 | 154.8 | 0 | 0 | 110.8 | ||||
| 459 | P | 41.3 | Very low | 37.6 | Very low | 124 Ų | 124 | 151.4 Ų | 151.4 | 81% | 0.805 | 82% | 0.819 | S | S | * | * | trans | -126.7 | 109.8 | 133.2 | 32.1 | -19.5 | 0 | 0 | 0 | 111.6 | ||||
| 460 | K | 44.2 | Very low | 38 | Very low | 159 Ų | 159 | 154.1 Ų | 154.1 | 69% | 0.691 | 82% | 0.82 | S | S | * | * | 10.5 | 131.6 | 128.9 | -79.8 | 176.5 | 176.6 | 178.7 | 0 | 118.8 | |||||
| 461 | H | 39 | Very low | 38.6 | Very low | 158 Ų | 158 | 152.2 Ų | 152.2 | 73% | 0.731 | 83% | 0.825 | S | S | * | * | trans | 84.8 | 102.6 | 143.6 | -54.1 | -30.1 | 0 | 0 | 0 | 117.9 | ||||
| 462 | M | 40 | Very low | 39.6 | Very low | 190 Ų | 190 | 150.3 Ų | 150.3 | 94% | 0.936 | 82% | 0.823 | S | S | * | * | -150 | 119.1 | 123.7 | -108.4 | 179.2 | -75.7 | 0 | 0 | 110.4 | |||||
| 463 | R | 38.1 | Very low | 39.7 | Very low | 241 Ų | 241 | 153 Ų | 153 | 91% | 0.909 | 82% | 0.824 | S | S | * | * | trans | -79.8 | 136.2 | 170.8 | -75.9 | 171.4 | 166.2 | 161.6 | -5.2 | 108.3 | ||||
| 464 | T | 38.6 | Very low | 40.7 | Very low | 144 Ų | 144 | 150.7 Ų | 150.7 | 88% | 0.883 | 82% | 0.822 | S | S | * | * | trans | -147 | 116.7 | 147.5 | -0.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 465 | A | 36.3 | Very low | 41 | Very low | 91 Ų | 91 | 149.1 Ų | 149.1 | 75% | 0.752 | 82% | 0.818 | S | S | * | * | trans | -77.2 | 142.1 | 177 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 466 | I | 41.7 | Very low | 41.5 | Very low | 171 Ų | 171 | 149 Ų | 149 | 88% | 0.877 | 82% | 0.822 | S | S | * | * | trans | -123.4 | 123.6 | 154.9 | -62.8 | -179 | 0 | 0 | 0 | 108.4 | ||||
| 467 | V | 41.1 | Very low | 42.1 | Very low | 121 Ų | 121 | 147.6 Ų | 147.6 | 73% | 0.733 | 82% | 0.817 | S | S | * | * | trans | -55.5 | 129 | -176.1 | 169.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 468 | E | 37.6 | Very low | 42.5 | Very low | 166 Ų | 166 | 149.4 Ų | 149.4 | 78% | 0.776 | 82% | 0.819 | S | S | * | * | trans | -66.4 | 128 | 156.9 | -73.5 | -177.7 | 151.8 | 0 | 0 | 109.7 | ||||
| 469 | S | 44.4 | Very low | 43.4 | Very low | 116 Ų | 116 | 147.7 Ų | 147.7 | 81% | 0.811 | 82% | 0.821 | S | S | * | * | trans | -110.4 | 106.7 | 163 | 19.3 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 470 | K | 41.7 | Very low | 43.8 | Very low | 188 Ų | 188 | 150.7 Ų | 150.7 | 82% | 0.817 | 82% | 0.824 | S | S | * | * | trans | -82.6 | 115.9 | 164.3 | -71.4 | 179.8 | 179 | 174.2 | 0 | 107.9 | ||||
| 471 | S | 51.2 | Low | 44.1 | Very low | 126 Ų | 126 | 150 Ų | 150 | 88% | 0.881 | 83% | 0.828 | S | S | * | * | trans | -98.8 | 150.3 | 163.3 | 61.9 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 472 | K | 54.4 | Low | 44.5 | Very low | 195 Ų | 195 | 147.3 Ų | 147.3 | 85% | 0.848 | 82% | 0.823 | S | S | * | * | trans | -108.8 | 133.9 | -150.9 | -173.7 | 179.9 | -178.8 | -176 | 0 | 109 | ||||
| 473 | T | 41.4 | Very low | 44.8 | Very low | 132 Ų | 132 | 143.8 Ų | 143.8 | 81% | 0.81 | 81% | 0.812 | S | S | * | * | trans | -64.4 | 144.5 | 164.4 | 9.2 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 474 | P | 55.7 | Low | 46 | Very low | 121 Ų | 121 | 141 Ų | 141 | 79% | 0.786 | 81% | 0.81 | S | S | * | * | trans | -118.1 | 131.9 | 148.1 | 32.6 | -21.3 | 0 | 0 | 0 | 111.5 | ||||
| 475 | E | 44.3 | Very low | 46.7 | Very low | 180 Ų | 180 | 141.6 Ų | 141.6 | 84% | 0.841 | 81% | 0.807 | S | S | * | * | trans | -80.8 | 166.7 | 165.7 | -69.9 | -179.6 | 146.6 | 0 | 0 | 111.7 | ||||
| 476 | S | 44 | Very low | 47.8 | Very low | 128 Ų | 128 | 143.5 Ų | 143.5 | 90% | 0.895 | 81% | 0.809 | S | S | * | * | trans | 77.7 | 141.2 | 169.2 | 85.2 | 0 | 0 | 0 | 0 | 115 | ||||
| 477 | G | 44.7 | Very low | 48.6 | Very low | 72 Ų | 72 | 140.9 Ų | 140.9 | 74% | 0.742 | 81% | 0.806 | S | S | * | * | cis | -173.5 | 161.2 | 7.6 | 0 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 478 | T | 42.1 | Very low | 49.6 | Very low | 136 Ų | 136 | 143 Ų | 143 | 83% | 0.834 | 81% | 0.812 | S | S | * | * | trans | -54.6 | 143.9 | 178.3 | 48.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 479 | T | 49.6 | Very low | 50.2 | Low | 143 Ų | 143 | 144 Ų | 144 | 88% | 0.877 | 82% | 0.817 | S | S | * | * | -169.5 | 136 | 126.6 | 42.2 | 0 | 0 | 0 | 0 | 110.7 | |||||
| 480 | E | 50.2 | Low | 50.8 | Low | 187 Ų | 187 | 143.9 Ų | 143.9 | 87% | 0.874 | 82% | 0.816 | S | S | * | * | trans | -64.3 | 154.2 | 169.7 | -60.7 | 165.7 | 160.3 | 0 | 0 | 110.7 | ||||
| 481 | D | 50.9 | Low | 51.4 | Low | 143 Ų | 143 | 142.4 Ų | 142.4 | 77% | 0.765 | 82% | 0.817 | S | S | * | * | 158.5 | 141.5 | 114 | -145.3 | -12 | 0 | 0 | 0 | 112.9 | |||||
| 482 | T | 45.9 | Very low | 51.7 | Low | 102 Ų | 102 | 142.2 Ų | 142.2 | 63% | 0.626 | 81% | 0.813 | S | S | * | * | trans | 63.2 | 108.9 | 150.3 | 18.6 | 0 | 0 | 0 | 0 | 124.4 | ||||
| 483 | T | 47.6 | Very low | 52.1 | Low | 116 Ų | 116 | 142.4 Ų | 142.4 | 71% | 0.712 | 81% | 0.814 | S | S | * | * | 40.2 | 128.8 | 124.2 | 58.7 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 484 | E | 62.9 | Low | 52.9 | Low | 184 Ų | 184 | 141.8 Ų | 141.8 | 86% | 0.86 | 81% | 0.81 | S | S | * | * | 172.1 | 151.6 | 102.4 | -86.7 | -164.1 | -174.1 | 0 | 0 | 112.3 | |||||
| 485 | D | 52.4 | Low | 53.1 | Low | 155 Ų | 155 | 147.1 Ų | 147.1 | 83% | 0.829 | 81% | 0.814 | S | S | * | * | trans | -60.4 | 144.1 | -176.7 | -63.1 | -56.5 | 0 | 0 | 0 | 115.1 | ||||
| 486 | V | 59.9 | Low | 53.7 | Low | 131 Ų | 131 | 145.4 Ų | 145.4 | 79% | 0.794 | 81% | 0.811 | S | S | * | * | trans | -144.8 | 106.8 | 149.2 | -173.6 | 0 | 0 | 0 | 0 | 110.1 | L488 | V486-L488 HydrophobicContact CG1-CG 4.18Š| ||
| 487 | S | 57.8 | Low | 54.4 | Low | 117 Ų | 117 | 149.3 Ų | 149.3 | 82% | 0.818 | 83% | 0.829 | S | S | * | * | trans | -74.2 | 132.7 | 159.4 | -65.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 488 | L | 62.3 | Low | 54.9 | Low | 164 Ų | 164 | 153.2 Ų | 153.2 | 86% | 0.859 | 83% | 0.833 | S | S | * | * | trans | -128.4 | 113.5 | 163.3 | -81.3 | 170.9 | 0 | 0 | 0 | 109.5 | V486 | V486-L488 HydrophobicContact CG1-CG 4.18Š| ||
| 489 | E | 50.8 | Low | 55.6 | Low | 188 Ų | 188 | 154.1 Ų | 154.1 | 88% | 0.879 | 83% | 0.833 | S | S | * | * | trans | -112.7 | 121.9 | 174.1 | -176.6 | 169.4 | -158.5 | 0 | 0 | 106.2 | ||||
| 490 | S | 58 | Low | 55.9 | Low | 114 Ų | 114 | 154.7 Ų | 154.7 | 80% | 0.797 | 83% | 0.831 | S | S | * | * | trans | -169.2 | 130.9 | 159.7 | 44.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 491 | D | 53.6 | Low | 56.3 | Low | 156 Ų | 156 | 152.8 Ų | 152.8 | 83% | 0.834 | 83% | 0.828 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 163.7 | -168.1 | -68.8 | -50.6 | 0 | 0 | 0 | 118.9 | ||
| 492 | P | 58 | Low | 56.6 | Low | 123 Ų | 123 | 153.4 Ų | 153.4 | 80% | 0.799 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -85.5 | 140.3 | 175.8 | 34.8 | -31.9 | 0 | 0 | 0 | 112.6 | ||
| 493 | K | 62.4 | Low | 57.3 | Low | 199 Ų | 199 | 156.9 Ų | 156.9 | 87% | 0.865 | 85% | 0.846 | S | S | * | * | P | Polyproline II helix | trans | -100.7 | 118.8 | 174.6 | -126.7 | 172.9 | -172.8 | 172.9 | 0 | 110.8 | ||
| 494 | V | 58.4 | Low | 58 | Low | 119 Ų | 119 | 159.8 Ų | 159.8 | 72% | 0.721 | 86% | 0.856 | S | S | * | * | P | Polyproline II helix | trans | -57.9 | 134.6 | 167.8 | 178.2 | 0 | 0 | 0 | 0 | 110.6 | ||
| 495 | W | 59 | Low | 57.6 | Low | 232 Ų | 232 | 157.9 Ų | 157.9 | 88% | 0.879 | 86% | 0.856 | S | S | * | * | trans | -117 | 114.6 | 158 | -94.2 | 61.7 | 0 | 0 | 0 | 108.5 | ||||
| 496 | N | 57 | Low | 58.1 | Low | 145 Ų | 145 | 158.2 Ų | 158.2 | 78% | 0.775 | 86% | 0.858 | S | S | * | * | trans | -82.7 | 123.8 | 161.6 | -82.2 | -19.9 | 0 | 0 | 0 | 108.2 | ||||
| 497 | V | 59.9 | Low | 57.9 | Low | 210 Ų | 210 | 160.6 Ų | 160.6 | 100% | 1.273 | 86% | 0.864 | S | S | * | * | trans | -146.1 | 0 | 133.2 | 176.5 | 0 | 0 | 0 | 0 | 107.1 |
Retrieved 497 of 497 residues in 738.3 ms
(Link to these results)