| 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 | 34.4 | Very low | 30.3 | Very low | 243 Ų | 243 | 139.6 Ų | 139.6 | 100% | 1.197 | 86% | 0.858 | S | S | * | * | 0 | 99.9 | 0 | -158.8 | 164.7 | -139 | 0 | 0 | 106 | |||||
| 2 | E | 38.3 | Very low | 29.9 | Very low | 180 Ų | 180 | 143.9 Ų | 143.9 | 84% | 0.841 | 86% | 0.861 | S | S | * | * | trans | -65.1 | 151.9 | 176.6 | -69.8 | -179.8 | 116 | 0 | 0 | 111 | ||||
| 3 | P | 33.3 | Very low | 29.7 | Very low | 121 Ų | 121 | 144.7 Ų | 144.7 | 79% | 0.786 | 86% | 0.857 | S | S | * | * | trans | -116.8 | 106 | 150.5 | 28.7 | -13.3 | 0 | 0 | 0 | 109.3 | ||||
| 4 | Y | 26.9 | Very low | 29.3 | Very low | 218 Ų | 218 | 137.4 Ų | 137.4 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | 58.4 | 98.1 | 95.1 | -90.7 | -89.3 | 0 | 0 | 0 | 114.9 | |||||
| 5 | T | 29.6 | Very low | 29.1 | Very low | 135 Ų | 135 | 138.5 Ų | 138.5 | 83% | 0.828 | 82% | 0.816 | S | S | * | * | trans | -71.1 | 133.6 | 161.7 | 38.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 6 | V | 30.1 | Very low | 28.9 | Very low | 136 Ų | 136 | 135.5 Ų | 135.5 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -117.8 | 123.2 | 165.3 | 178.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 7 | P | 29.5 | Very low | 28.8 | Very low | 123 Ų | 123 | 134 Ų | 134 | 80% | 0.799 | 79% | 0.792 | S | S | * | * | trans | -96.3 | 137.7 | 168.7 | 33.6 | -25.6 | 0 | 0 | 0 | 110.8 | ||||
| 8 | G | 27.7 | Very low | 28.5 | Very low | 83 Ų | 83 | 133.8 Ų | 133.8 | 86% | 0.856 | 79% | 0.786 | S | S | * | * | trans | 141.6 | 75.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 9 | A | 26.7 | Very low | 28.2 | Very low | 102 Ų | 102 | 136.8 Ų | 136.8 | 84% | 0.843 | 78% | 0.784 | S | S | * | * | trans | -105.6 | 116.3 | 160.8 | 0 | 0 | 0 | 0 | 0 | 108.1 | A11 | A9-A11 PolarHBondContact O-N 3.36Š| ||
| 10 | A | 27.4 | Very low | 28 | Very low | 100 Ų | 100 | 134.9 Ų | 134.9 | 83% | 0.826 | 78% | 0.779 | S | S | * | * | P | Polyproline II helix | trans | -54.8 | 119.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111 | Q12 | A10-Q12 PolarHBondContact O-N 3.26Š|
| 11 | A | 29.1 | Very low | 27.9 | Very low | 95 Ų | 95 | 132.3 Ų | 132.3 | 79% | 0.785 | 77% | 0.766 | S | S | * | * | P | Polyproline II helix | trans | -71.8 | 116.5 | 164.4 | 0 | 0 | 0 | 0 | 0 | 108.1 | A9 L13 | A9-A11 PolarHBondContact O-N 3.36Å; A11-L13 PolarHBondContact O-N 3.4Å |
| 12 | Q | 25.8 | Very low | 27.3 | Very low | 191 Ų | 191 | 125 Ų | 125 | 89% | 0.893 | 73% | 0.73 | S | S | * | * | P | Polyproline II helix | trans | -55.1 | 116.5 | 169.9 | -78.2 | 161.2 | -54.3 | 0 | 0 | 109.2 | A10 S14 | A10-Q12 PolarHBondContact O-N 3.26Å; Q12-S14 PolarHBondContact O-N 3.34Å; Q12-S14 VanDerWaalsContact O-N 3.1Å |
| 13 | L | 27.4 | Very low | 26.8 | Very low | 154 Ų | 154 | 120.8 Ų | 120.8 | 81% | 0.806 | 72% | 0.718 | S | S | * | * | trans | -62.2 | 109 | 172.8 | -140.4 | 90.3 | 0 | 0 | 0 | 108.1 | A11 | A11-L13 PolarHBondContact O-N 3.4Š| ||
| 14 | S | 24 | Very low | 26.8 | Very low | 43 Ų | 43 | 118.2 Ų | 118.2 | 30% | 0.301 | 70% | 0.695 | S | S | . | * | trans | -75.6 | 137.1 | 178.1 | 83.3 | 0 | 0 | 0 | 0 | 109.3 | Q12 S16 D17 | Q12-S14 PolarHBondContact O-N 3.34Å; Q12-S14 VanDerWaalsContact O-N 3.1Å; S14-S16 WeakPolarHBondContact CB-OG 3.48Å; S14-S16 PolarHBondContact O-N 3.42Å; S14-S16 PolarHBondContact OG-OG 3.24Å; S14-D17 PolarHBondContact O-N 2.99Å; S14-D17 VanDerWaalsContact OG-CG 3.26Å; S14-D17 PolarHBondContact OG-OD2 3.44Å | ||
| 15 | L | 25.9 | Very low | 26.9 | Very low | 154 Ų | 154 | 110.3 Ų | 110.3 | 81% | 0.806 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -10.9 | 177.6 | -153.9 | 78.2 | 0 | 0 | 0 | 112.7 | ||
| 16 | S | 26.9 | Very low | 27 | Very low | 90 Ų | 90 | 106.9 Ų | 106.9 | 63% | 0.629 | 65% | 0.646 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.2 | -22.2 | 171.4 | 30.3 | 0 | 0 | 0 | 0 | 114.2 | S14 L18 | S14-S16 WeakPolarHBondContact CB-OG 3.48Å; S14-S16 PolarHBondContact O-N 3.42Å; S14-S16 PolarHBondContact OG-OG 3.24Å; S16-L18 VanDerWaalsContact C-N 3.31Å |
| 17 | D | 26.8 | Very low | 27.1 | Very low | 110 Ų | 110 | 101.1 Ų | 101.1 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | G | 310 helix | trans | -80.8 | -13.9 | 178.7 | -64.1 | -47.2 | 0 | 0 | 0 | 112.6 | S14 Y19 | S14-D17 PolarHBondContact O-N 2.99Å; S14-D17 VanDerWaalsContact OG-CG 3.26Å; S14-D17 PolarHBondContact OG-OD2 3.44Å; D17-Y19 VanDerWaalsContact C-N 3.35Å |
| 18 | L | 23.9 | Very low | 27.3 | Very low | 130 Ų | 130 | 97.2 Ų | 97.2 | 68% | 0.681 | 58% | 0.582 | S | S | * | * | G | 310 helix | trans | -87.5 | 0.4 | 180 | -146.7 | 77.7 | 0 | 0 | 0 | 113.7 | S16 | S16-L18 VanDerWaalsContact C-N 3.31Š|
| 19 | Y | 22.7 | Very low | 27.6 | Very low | 191 Ų | 191 | 97.2 Ų | 97.2 | 75% | 0.749 | 57% | 0.567 | S | S | * | * | G | 310 helix | trans | -126.2 | 29.6 | -175.8 | -94.1 | -85.2 | 0 | 0 | 0 | 113.5 | D17 V21 | D17-Y19 VanDerWaalsContact C-N 3.35Å; Y19-V21 VanDerWaalsContact C-N 3.29Å; Y19-V21 PolarHBondContact O-N 3.02Å |
| 20 | S | 22.8 | Very low | 28.1 | Very low | 99 Ų | 99 | 93.8 Ų | 93.8 | 69% | 0.692 | 53% | 0.534 | S | S | * | . | trans | -75 | 85.2 | 171.4 | 45.8 | 0 | 0 | 0 | 0 | 110.4 | I22 | S20-I22 PolarHBondContact O-N 3.23Š| ||
| 21 | V | 25.8 | Very low | 28.6 | Very low | 81 Ų | 81 | 93 Ų | 93 | 49% | 0.491 | 51% | 0.513 | S | S | . | . | P | Polyproline II helix | trans | -54.7 | 118.6 | 172.7 | 176.2 | 0 | 0 | 0 | 0 | 109.7 | Y19 W212 | Y19-V21 VanDerWaalsContact C-N 3.29Å; Y19-V21 PolarHBondContact O-N 3.02Å; V21-W212 HydrophobicContact CB-CB 4.27Å; V21-W212 HydrophobicContact CB-CG 4.33Å; V21-W212 HydrophobicContact CG1-CB 3.62Å; V21-W212 HydrophobicContact CG1-CG 4.13Å |
| 22 | I | 23.6 | Very low | 28.8 | Very low | 88 Ų | 88 | 90.2 Ų | 90.2 | 45% | 0.451 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -55 | 129.7 | -178.8 | -64.5 | 164.8 | 0 | 0 | 0 | 110.9 | S20 F24 E293 | S20-I22 PolarHBondContact O-N 3.23Å; I22-F24 PolarHBondContact O-N 3.04Å; I22-E293 HydrophobicContact CD1-CG 3.63Å; I22-E293 VanDerWaalsContact CD1-OE1 3.27Å; I22-E293 WeakPolarHBondContact CD1-OE1 3.35Å |
| 23 | P | 27.1 | Very low | 29.2 | Very low | 92 Ų | 92 | 83.8 Ų | 83.8 | 60% | 0.597 | 46% | 0.464 | S | S | * | . | P | Polyproline II helix | trans | -72.7 | 119.4 | 178 | 27.8 | -31.3 | 0 | 0 | 0 | 110.6 | N25 | P23-N25 PolarHBondContact O-N 3.25Å; P23-N25 VanDerWaalsContact O-N 3.14Å |
| 24 | F | 33 | Very low | 29.6 | Very low | 68 Ų | 68 | 82.1 Ų | 82.1 | 30% | 0.298 | 45% | 0.452 | S | S | . | . | trans | -78.4 | 99.7 | 171.8 | -105.4 | -88.2 | 0 | 0 | 0 | 111.1 | I22 D215 R289 | I22-F24 PolarHBondContact O-N 3.04Å; F24-D215 WeakPolarHBondContact CB-OD2 3.47Å; F24-R289 HydrophobicContact CE1-CB 4.25Å; F24-R289 VanDerWaalsContact CE2-O 3.28Å; F24-R289 WeakPolarHBondContact CE2-O 3.27Å; F24-R289 HydrophobicContact CZ-CB 3.73Å; F24-R289 HydrophobicContact CZ-CG 4.38Å; F24-R289 WeakPolarHBondContact CZ-O 3.41Å | ||
| 25 | N | 28.7 | Very low | 30.3 | Very low | 51 Ų | 51 | 87.3 Ų | 87.3 | 27% | 0.273 | 48% | 0.475 | S | S | . | . | trans | -76.6 | 131.2 | 167.7 | -156.2 | -6.4 | 0 | 0 | 0 | 109.1 | P23 T27 M204 | P23-N25 PolarHBondContact O-N 3.25Å; P23-N25 VanDerWaalsContact O-N 3.14Å; N25-T27 PolarHBondContact O-N 3.39Å; N25-T27 PolarHBondContact OD1-OG1 2.92Å; N25-M204 HydrophobicContact CB-CE 4.43Å; N25-M204 VanDerWaalsContact OD1-CB 3.31Å; N25-M204 WeakPolarHBondContact OD1-CB 3.44Å; N25-M204 WeakPolarHBondContact OD1-CE 3.31Å; N25-M204 PolarHBondContact OD1-SD 2.86Å | ||
| 26 | V | 33.2 | Very low | 30.7 | Very low | 63 Ų | 63 | 87 Ų | 87 | 38% | 0.382 | 48% | 0.475 | S | S | . | . | S | Bend | trans | -74.9 | 31.7 | 172 | 176 | 0 | 0 | 0 | 0 | 111.5 | M204 L205 | V26-M204 HydrophobicContact CB-CB 4.45Å; V26-L205 HydrophobicContact CG2-CB 4.21Å; V26-L205 HydrophobicContact CG2-CD1 4.14Å; V26-L205 HydrophobicContact CG2-CG 4.19Å |
| 27 | T | 32.1 | Very low | 31 | Very low | 15 Ų | 15 | 86.4 Ų | 86.4 | 9% | 0.092 | 48% | 0.475 | C | S | . | . | S | Bend | trans | -150.2 | 128.6 | 177.1 | 13.8 | 0 | 0 | 0 | 0 | 106.8 | N25 P29 T202 | N25-T27 PolarHBondContact O-N 3.39Å; N25-T27 PolarHBondContact OD1-OG1 2.92Å; T27-P29 WeakPolarHBondContact O-CD 3.46Å; T27-T202 HydrophobicContact CG2-CG2 4.11Å |
| 28 | F | 32.6 | Very low | 31.5 | Very low | 41 Ų | 41 | 87.2 Ų | 87.2 | 18% | 0.18 | 48% | 0.484 | C | S | . | . | trans | -48.4 | 126.3 | 155.4 | -73.9 | -90.6 | 0 | 0 | 0 | 107.6 | E30 I302 W305 H306 | F28-E30 VanDerWaalsContact C-N 3.3Å; F28-E30 PolarHBondContact O-N 2.78Å; F28-I302 HydrophobicContact CD1-CG1 4.18Å; F28-I302 HydrophobicContact CE1-CB 4.19Å; F28-I302 HydrophobicContact CE1-CG1 3.68Å; F28-I302 HydrophobicContact CE1-CG2 4.21Å; F28-I302 HydrophobicContact CZ-CB 4.44Å; F28-I302 HydrophobicContact CZ-CG1 4.41Å; F28-I302 HydrophobicContact CZ-CG2 4.23Å; F28-W305 AromaticContact CE2-CD1 3.24Å; F28-W305 AromaticContact CE2-CG 4Å; F28-W305 HydrophobicContact CE2-CG 4Å; F28-W305 AromaticContact CE2-NE1 3.57Å; F28-W305 HydrophobicContact CZ-CB 3.96Å; F28-W305 AromaticContact CZ-CD1 3.43Å; F28-W305 VanDerWaalsContact CZ-CD1 3.43Å; F28-W305 AromaticContact CZ-CG 3.72Å; F28-W305 HydrophobicContact CZ-CG 3.72Å; F28-H306 AromaticContact CD2-NE2 3.72Å; F28-H306 AromaticContact CE2-CD2 3.92Å; F28-H306 AromaticContact CE2-CE1 3.99Å; F28-H306 AromaticContact CE2-NE2 3.27Å; F28-H306 VanDerWaalsContact CE2-NE2 3.27Å; F28-H306 WeakPolarHBondContact CE2-NE2 3.39Å | ||
| 29 | P | 33.9 | Very low | 31.9 | Very low | 83 Ų | 83 | 89.6 Ų | 89.6 | 54% | 0.539 | 49% | 0.492 | S | S | . | . | trans | -63 | 107.5 | 141.5 | -1.1 | 19.2 | 0 | 0 | 0 | 104.3 | T27 E31 | T27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-E31 PolarHBondContact O-N 3.42Å | ||
| 30 | E | 38.5 | Very low | 32.7 | Very low | 31 Ų | 31 | 87 Ų | 87 | 15% | 0.145 | 50% | 0.498 | C | S | . | . | trans | -76.2 | 77.8 | 174.4 | -144.1 | -173.6 | 140.2 | 0 | 0 | 108.2 | F28 L32 R45 N116 | F28-E30 VanDerWaalsContact C-N 3.3Å; F28-E30 PolarHBondContact O-N 2.78Å; E30-L32 HydrophobicContact CG-CB 4.22Å; E30-L32 HydrophobicContact CG-CD1 3.93Å; E30-L32 PolarHBondContact O-N 3.02Å; E30-R45 IonicContact OE1-CZ 2.86Å; E30-R45 IonicContact OE1-NE 3.76Å; E30-R45 PolarHBondContact OE1-NE 3.43Å; E30-R45 IonicContact OE1-NH2 3.65Å; E30-R45 PolarHBondContact OE1-NH2 3.42Å; E30-R45 IonicContact OE2-CZ 2.63Å; E30-R45 IonicContact OE2-NH2 3.09Å; E30-R45 PolarHBondContact OE2-NH2 3.12Å; E30-N116 VanDerWaalsContact CB-OD1 3.24Å; E30-N116 WeakPolarHBondContact CB-OD1 3.28Å; E30-N116 VanDerWaalsContact OE2-CG 3.24Å; E30-N116 PolarHBondContact OE2-OD1 2.8Å | ||
| 31 | E | 36.1 | Very low | 33.3 | Very low | 83 Ų | 83 | 85 Ų | 85 | 39% | 0.388 | 49% | 0.494 | S | S | . | . | trans | -76.8 | 41.8 | 164.6 | -77.2 | -177.8 | 159.7 | 0 | 0 | 110.7 | P29 A33 R297 | P29-E31 PolarHBondContact O-N 3.42Å; E31-A33 PolarHBondContact O-N 3.09Å; E31-R297 IonicContact OE1-NH2 3.49Å; E31-R297 PolarHBondContact OE1-NH2 3.21Å; E31-R297 IonicContact OE2-CZ 3.17Å; E31-R297 IonicContact OE2-NE 2.76Å; E31-R297 PolarHBondContact OE2-NE 3.38Å; E31-R297 IonicContact OE2-NH2 2.74Å; E31-R297 PolarHBondContact OE2-NH2 3.29Å | ||
| 32 | L | 35 | Very low | 33.7 | Very low | 36 Ų | 36 | 85.8 Ų | 85.8 | 19% | 0.188 | 50% | 0.503 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.3 | 0.3 | 164.1 | -101.5 | 147.7 | 0 | 0 | 0 | 111.9 | E30 I302 | E30-L32 HydrophobicContact CG-CB 4.22Å; E30-L32 HydrophobicContact CG-CD1 3.93Å; E30-L32 PolarHBondContact O-N 3.02Å; L32-I302 HydrophobicContact CD1-CD1 4.08Å |
| 33 | A | 33.9 | Very low | 34.7 | Very low | 56 Ų | 56 | 86.7 Ų | 86.7 | 46% | 0.463 | 52% | 0.515 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.9 | -10.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114 | E31 P43 | E31-A33 PolarHBondContact O-N 3.09Å; A33-P43 HydrophobicContact CB-CB 4.33Å |
| 34 | E | 35.5 | Very low | 35.6 | Very low | 119 Ų | 119 | 87.5 Ų | 87.5 | 56% | 0.556 | 52% | 0.518 | S | S | * | . | trans | -97.3 | 3.3 | -176 | -68.1 | -160.7 | 154.7 | 0 | 0 | 115.1 | N36 R297 | E34-N36 VanDerWaalsContact C-N 3.29Å; E34-N36 PolarHBondContact O-N 3.39Å; E34-R297 IonicContact OE2-NH2 3.88Å | ||
| 35 | L | 37.9 | Very low | 36.8 | Very low | 152 Ų | 152 | 86.2 Ų | 86.2 | 80% | 0.796 | 51% | 0.511 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.8 | 87.2 | 163.1 | -107 | 86.9 | 0 | 0 | 0 | 108.7 | ||
| 36 | N | 34.4 | Very low | 38.6 | Very low | 147 Ų | 147 | 85.7 Ų | 85.7 | 79% | 0.786 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 94.6 | 47.2 | 175.2 | -59.9 | -11.5 | 0 | 0 | 0 | 117.4 | E34 T38 | E34-N36 VanDerWaalsContact C-N 3.29Å; E34-N36 PolarHBondContact O-N 3.39Å; N36-T38 PolarHBondContact O-N 3.18Å |
| 37 | A | 32.5 | Very low | 40.2 | Very low | 78 Ų | 78 | 86.5 Ų | 86.5 | 65% | 0.645 | 53% | 0.531 | S | S | * | . | trans | -76.3 | 74.4 | 162.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 38 | T | 37.6 | Very low | 42.1 | Very low | 127 Ų | 127 | 88.2 Ų | 88.2 | 78% | 0.779 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -107.1 | 109.6 | 145.5 | 1.9 | 0 | 0 | 0 | 0 | 105.5 | N36 | N36-T38 PolarHBondContact O-N 3.18Š|
| 39 | E | 33.5 | Very low | 43.8 | Very low | 180 Ų | 180 | 86.4 Ų | 86.4 | 84% | 0.841 | 55% | 0.545 | S | S | * | . | S | Bend | trans | 102.1 | 137.3 | 177 | -54.5 | -135.9 | 150.8 | 0 | 0 | 118.3 | G41 | E39-G41 PolarHBondContact O-N 3.44Š|
| 40 | P | 38.9 | Very low | 45.7 | Very low | 136 Ų | 136 | 87.2 Ų | 87.2 | 88% | 0.883 | 54% | 0.542 | S | S | * | . | trans | -85.3 | 103.6 | -178.6 | 33.7 | -29.4 | 0 | 0 | 0 | 110.5 | ||||
| 41 | G | 34.7 | Very low | 47.7 | Very low | 59 Ų | 59 | 90.2 Ų | 90.2 | 61% | 0.608 | 56% | 0.563 | S | S | * | * | S | Bend | trans | -174 | 91.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | E39 | E39-G41 PolarHBondContact O-N 3.44Š|
| 42 | S | 34.9 | Very low | 49.7 | Very low | 96 Ų | 96 | 88 Ų | 88 | 67% | 0.671 | 55% | 0.553 | S | S | * | * | trans | 61.3 | 136.8 | 170.1 | 72.6 | 0 | 0 | 0 | 0 | 117.3 | V44 | S42-V44 VanDerWaalsContact C-N 3.31Å; S42-V44 PolarHBondContact O-N 2.68Å | ||
| 43 | P | 43.7 | Very low | 51.6 | Low | 107 Ų | 107 | 86.4 Ų | 86.4 | 70% | 0.695 | 55% | 0.545 | S | S | * | . | trans | -80.3 | 79.4 | 179 | 33.5 | -31.7 | 0 | 0 | 0 | 109.7 | A33 R45 | A33-P43 HydrophobicContact CB-CB 4.33Å; P43-R45 PolarHBondContact O-N 3.27Å | ||
| 44 | V | 47.3 | Very low | 54 | Low | 110 Ų | 110 | 88 Ų | 88 | 67% | 0.667 | 55% | 0.549 | S | S | * | . | trans | -76 | 107.2 | 170.4 | -177.3 | 0 | 0 | 0 | 0 | 107.6 | S42 G46 | S42-V44 VanDerWaalsContact C-N 3.31Å; S42-V44 PolarHBondContact O-N 2.68Å; V44-G46 PolarHBondContact O-N 3.05Å | ||
| 45 | R | 58.3 | Low | 56.4 | Low | 40 Ų | 40 | 85.6 Ų | 85.6 | 15% | 0.151 | 55% | 0.545 | C | S | . | . | trans | -50.9 | 126 | 170.9 | -84.4 | -177.6 | 174.9 | 145.6 | 2.6 | 109.3 | E30 P43 Y113 L114 | E30-R45 IonicContact OE1-CZ 2.86Å; E30-R45 IonicContact OE1-NE 3.76Å; E30-R45 PolarHBondContact OE1-NE 3.43Å; E30-R45 IonicContact OE1-NH2 3.65Å; E30-R45 PolarHBondContact OE1-NH2 3.42Å; E30-R45 IonicContact OE2-CZ 2.63Å; E30-R45 IonicContact OE2-NH2 3.09Å; E30-R45 PolarHBondContact OE2-NH2 3.12Å; P43-R45 PolarHBondContact O-N 3.27Å; R45-Y113 PolarHBondContact NH1-O 2.98Å; R45-Y113 VanDerWaalsContact NH1-O 3.12Å; R45-Y113 PolarHBondContact NH2-O 2.92Å; R45-L114 PolarHBondContact NH1-O 3.43Å; R45-L114 VanDerWaalsContact NH1-O 3.07Å | ||
| 46 | G | 65.4 | Low | 58.5 | Low | 41 Ų | 41 | 79 Ų | 79 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | trans | -53.9 | 151.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | V44 G48 G49 M50 | V44-G46 PolarHBondContact O-N 3.05Å; G46-G48 PolarHBondContact O-N 3.1Å; G46-G48 VanDerWaalsContact O-N 3.07Å; G46-G49 PolarHBondContact O-N 2.86Å; G46-M50 PolarHBondContact O-N 3.17Å; G46-M50 VanDerWaalsContact O-N 3.09Å | ||
| 47 | A | 68.4 | Low | 61 | Low | 80 Ų | 80 | 73.1 Ų | 73.1 | 66% | 0.661 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -51.1 | -38.5 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | M50 V51 | A47-M50 PolarHBondContact O-N 3.03Å; A47-V51 VanDerWaalsContact O-CG2 3.29Å; A47-V51 WeakPolarHBondContact O-CG2 3.35Å; A47-V51 PolarHBondContact O-N 3.34Å |
| 48 | G | 70.4 | Confident | 63.7 | Low | 50 Ų | 50 | 71.9 Ų | 71.9 | 52% | 0.515 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -64.1 | -41.8 | 175.5 | 0 | 0 | 0 | 0 | 0 | 114 | G46 V51 I52 | G46-G48 PolarHBondContact O-N 3.1Å; G46-G48 VanDerWaalsContact O-N 3.07Å; G48-V51 PolarHBondContact O-N 2.94Å; G48-I52 VanDerWaalsContact O-CG1 3.32Å; G48-I52 WeakPolarHBondContact O-CG1 3.45Å; G48-I52 PolarHBondContact O-N 3Å; G48-I52 VanDerWaalsContact O-N 3.09Å |
| 49 | G | 69.4 | Low | 66.2 | Low | 4 Ų | 4 | 68.9 Ų | 68.9 | 4% | 0.041 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -66.4 | -37.8 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G46 I52 A53 | G46-G49 PolarHBondContact O-N 2.86Å; G49-I52 PolarHBondContact O-N 3.2Å; G49-A53 WeakPolarHBondContact O-CB 3.45Å; G49-A53 PolarHBondContact O-N 3.28Å |
| 50 | M | 73.1 | Confident | 68.9 | Low | 99 Ų | 99 | 60.8 Ų | 60.8 | 49% | 0.488 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -65.6 | -41.2 | 175.3 | -164.4 | -179 | -57.5 | 0 | 0 | 112.2 | G46 A47 A53 V54 | G46-M50 PolarHBondContact O-N 3.17Å; G46-M50 VanDerWaalsContact O-N 3.09Å; A47-M50 PolarHBondContact O-N 3.03Å; M50-A53 WeakPolarHBondContact O-CB 3.36Å; M50-A53 PolarHBondContact O-N 3.14Å; M50-V54 WeakPolarHBondContact O-CG2 3.42Å; M50-V54 PolarHBondContact O-N 2.95Å |
| 51 | V | 79.9 | Confident | 71.3 | Confident | 94 Ų | 94 | 57 Ų | 57 | 57% | 0.57 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 175.6 | 169.8 | 0 | 0 | 0 | 0 | 111.3 | A47 G48 A53 S55 | A47-V51 VanDerWaalsContact O-CG2 3.29Å; A47-V51 WeakPolarHBondContact O-CG2 3.35Å; A47-V51 PolarHBondContact O-N 3.34Å; G48-V51 PolarHBondContact O-N 2.94Å; V51-A53 VanDerWaalsContact C-N 3.31Å; V51-A53 PolarHBondContact O-N 3.46Å; V51-S55 VanDerWaalsContact O-CB 3.32Å; V51-S55 WeakPolarHBondContact O-CB 3.43Å; V51-S55 PolarHBondContact O-N 3.24Å; V51-S55 PolarHBondContact O-OG 2.96Å |
| 52 | I | 77.9 | Confident | 74 | Confident | 37 Ų | 37 | 58.5 Ų | 58.5 | 19% | 0.19 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.5 | -43 | 175.8 | -67.8 | 166.1 | 0 | 0 | 0 | 110.2 | G48 G49 S55 I56 P299 | G48-I52 VanDerWaalsContact O-CG1 3.32Å; G48-I52 WeakPolarHBondContact O-CG1 3.45Å; G48-I52 PolarHBondContact O-N 3Å; G48-I52 VanDerWaalsContact O-N 3.09Å; G49-I52 PolarHBondContact O-N 3.2Å; I52-S55 PolarHBondContact O-N 3.45Å; I52-I56 HydrophobicContact CG2-CD1 3.56Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 VanDerWaalsContact O-CG1 3.29Å; I52-I56 WeakPolarHBondContact O-CG1 3.22Å; I52-I56 PolarHBondContact O-N 3.37Å; I52-P299 HydrophobicContact CD1-CB 4.06Å |
| 53 | A | 76.2 | Confident | 76.7 | Confident | 2 Ų | 2 | 54.3 Ų | 54.3 | 2% | 0.017 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.6 | -49.8 | 178.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | G49 M50 V51 S55 I56 T57 Y113 L114 | G49-A53 WeakPolarHBondContact O-CB 3.45Å; G49-A53 PolarHBondContact O-N 3.28Å; M50-A53 WeakPolarHBondContact O-CB 3.36Å; M50-A53 PolarHBondContact O-N 3.14Å; V51-A53 VanDerWaalsContact C-N 3.31Å; V51-A53 PolarHBondContact O-N 3.46Å; A53-S55 VanDerWaalsContact C-N 3.31Å; A53-I56 PolarHBondContact O-N 3.45Å; A53-T57 VanDerWaalsContact O-CB 3.32Å; A53-T57 WeakPolarHBondContact O-CB 3.49Å; A53-T57 PolarHBondContact O-N 3.36Å; A53-T57 PolarHBondContact O-OG1 3.47Å; A53-Y113 HydrophobicContact CB-CD1 3.87Å; A53-Y113 HydrophobicContact CB-CE1 3.32Å; A53-L114 HydrophobicContact CB-CD2 4.44Å |
| 54 | V | 84.8 | Confident | 79 | Confident | 89 Ų | 89 | 49.8 Ų | 49.8 | 54% | 0.539 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -64.7 | -41.1 | 179.4 | 173.2 | 0 | 0 | 0 | 0 | 109.9 | M50 T57 A58 | M50-V54 WeakPolarHBondContact O-CG2 3.42Å; M50-V54 PolarHBondContact O-N 2.95Å; V54-T57 PolarHBondContact O-N 2.94Å; V54-A58 WeakPolarHBondContact O-CB 3.48Å; V54-A58 PolarHBondContact O-N 2.9Å |
| 55 | S | 86.2 | Confident | 81.1 | Confident | 69 Ų | 69 | 48.5 Ų | 48.5 | 48% | 0.483 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63.2 | -46.3 | 178.7 | -58.4 | 0 | 0 | 0 | 0 | 112.4 | V51 I52 A53 A58 L59 | V51-S55 VanDerWaalsContact O-CB 3.32Å; V51-S55 WeakPolarHBondContact O-CB 3.43Å; V51-S55 PolarHBondContact O-N 3.24Å; V51-S55 PolarHBondContact O-OG 2.96Å; I52-S55 PolarHBondContact O-N 3.45Å; A53-S55 VanDerWaalsContact C-N 3.31Å; S55-A58 PolarHBondContact O-N 3.24Å; S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 PolarHBondContact O-N 3.36Å |
| 56 | I | 81.6 | Confident | 82.6 | Confident | 14 Ų | 14 | 49.7 Ų | 49.7 | 7% | 0.072 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -64.1 | -43.3 | 177.2 | -67.4 | 163 | 0 | 0 | 0 | 110.6 | I52 A53 A58 L59 Y60 Y113 H306 | I52-I56 HydrophobicContact CG2-CD1 3.56Å; I52-I56 HydrophobicContact CG2-CG1 4.38Å; I52-I56 VanDerWaalsContact O-CG1 3.29Å; I52-I56 WeakPolarHBondContact O-CG1 3.22Å; I52-I56 PolarHBondContact O-N 3.37Å; A53-I56 PolarHBondContact O-N 3.45Å; I56-A58 PolarHBondContact O-N 2.93Å; I56-L59 PolarHBondContact O-N 3.37Å; I56-Y60 HydrophobicContact CG2-CD1 4.41Å; I56-Y60 HydrophobicContact CG2-CD2 4.28Å; I56-Y60 HydrophobicContact CG2-CE1 4.15Å; I56-Y60 HydrophobicContact CG2-CE2 3.99Å; I56-Y60 HydrophobicContact CG2-CG 4.47Å; I56-Y60 PolarHBondContact O-N 2.93Å; I56-Y113 HydrophobicContact CD1-CE1 4.4Å; I56-Y113 HydrophobicContact CD1-CE2 4.21Å; I56-H306 HydrophobicContact CD1-CB 3.49Å; I56-H306 VanDerWaalsContact CD1-CB 3.49Å; I56-H306 HydrophobicContact CG1-CB 3.97Å; I56-H306 HydrophobicContact CG2-CB 4.39Å |
| 57 | T | 86.2 | Confident | 83.8 | Confident | 23 Ų | 23 | 47.8 Ų | 47.8 | 14% | 0.141 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.1 | -45.7 | 178 | -61.4 | 0 | 0 | 0 | 0 | 111.5 | A53 V54 L59 Y60 S61 L114 | A53-T57 VanDerWaalsContact O-CB 3.32Å; A53-T57 WeakPolarHBondContact O-CB 3.49Å; A53-T57 PolarHBondContact O-N 3.36Å; A53-T57 PolarHBondContact O-OG1 3.47Å; V54-T57 PolarHBondContact O-N 2.94Å; T57-L59 VanDerWaalsContact C-N 3.34Å; T57-L59 PolarHBondContact O-N 3.2Å; T57-Y60 PolarHBondContact O-N 3.27Å; T57-S61 WeakPolarHBondContact O-CB 3.34Å; T57-S61 PolarHBondContact O-N 2.74Å; T57-S61 PolarHBondContact O-OG 3.29Å; T57-L114 HydrophobicContact CG2-CD1 3.94Å; T57-L114 HydrophobicContact CG2-CG 4.44Å |
| 58 | A | 89.7 | Confident | 84.9 | Confident | 52 Ų | 52 | 46.3 Ų | 46.3 | 43% | 0.43 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.9 | -44.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | V54 S55 I56 S61 V62 | V54-A58 WeakPolarHBondContact O-CB 3.48Å; V54-A58 PolarHBondContact O-N 2.9Å; S55-A58 PolarHBondContact O-N 3.24Å; I56-A58 PolarHBondContact O-N 2.93Å; A58-S61 PolarHBondContact O-N 3.44Å; A58-V62 WeakPolarHBondContact O-CG2 3.36Å; A58-V62 PolarHBondContact O-N 3.25Å |
| 59 | L | 90 | Very high | 85.9 | Confident | 65 Ų | 65 | 49.8 Ų | 49.8 | 34% | 0.34 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -61.4 | -48.9 | 177.3 | -178.5 | 59.7 | 0 | 0 | 0 | 112.1 | S55 I56 T57 S61 V62 I63 L307 A310 | S55-L59 WeakPolarHBondContact O-CB 3.45Å; S55-L59 PolarHBondContact O-N 3.36Å; I56-L59 PolarHBondContact O-N 3.37Å; T57-L59 VanDerWaalsContact C-N 3.34Å; T57-L59 PolarHBondContact O-N 3.2Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.42Å; L59-V62 PolarHBondContact O-N 3.05Å; L59-I63 HydrophobicContact CD1-CD1 4.03Å; L59-I63 HydrophobicContact CD1-CG1 4.43Å; L59-I63 HydrophobicContact CG-CD1 3.93Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.39Å; L59-I63 PolarHBondContact O-N 3.39Å; L59-L307 HydrophobicContact CD2-CD1 4.4Å; L59-A310 HydrophobicContact CD2-CB 3.39Å; L59-A310 HydrophobicContact CG-CB 4.08Å |
| 60 | Y | 88.9 | Confident | 86.8 | Confident | 9 Ų | 9 | 50.2 Ų | 50.2 | 4% | 0.035 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 177 | -76.2 | 6.3 | 0 | 0 | 0 | 112.2 | I56 T57 I63 C64 L106 Q109 S110 I309 A310 | I56-Y60 HydrophobicContact CG2-CD1 4.41Å; I56-Y60 HydrophobicContact CG2-CD2 4.28Å; I56-Y60 HydrophobicContact CG2-CE1 4.15Å; I56-Y60 HydrophobicContact CG2-CE2 3.99Å; I56-Y60 HydrophobicContact CG2-CG 4.47Å; I56-Y60 PolarHBondContact O-N 2.93Å; T57-Y60 PolarHBondContact O-N 3.27Å; Y60-I63 PolarHBondContact O-N 3.3Å; Y60-C64 WeakPolarHBondContact O-CB 3.35Å; Y60-C64 PolarHBondContact O-N 2.96Å; Y60-L106 HydrophobicContact CD1-CD2 4.45Å; Y60-L106 HydrophobicContact CD2-CD2 4.21Å; Y60-L106 HydrophobicContact CG-CD2 4.15Å; Y60-Q109 HydrophobicContact CE2-CB 4.38Å; Y60-S110 WeakPolarHBondContact CB-OG 3.33Å; Y60-I309 WeakPolarHBondContact OH-CG2 3.06Å; Y60-A310 HydrophobicContact CD1-CB 4.29Å; Y60-A310 HydrophobicContact CE1-CB 3.71Å |
| 61 | S | 90.9 | Very high | 87.7 | Confident | 58 Ų | 58 | 45.5 Ų | 45.5 | 41% | 0.406 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.7 | -59.7 | 0 | 0 | 0 | 0 | 111.8 | T57 A58 L59 C64 V65 | T57-S61 WeakPolarHBondContact O-CB 3.34Å; T57-S61 PolarHBondContact O-N 2.74Å; T57-S61 PolarHBondContact O-OG 3.29Å; A58-S61 PolarHBondContact O-N 3.44Å; L59-S61 VanDerWaalsContact C-N 3.29Å; L59-S61 PolarHBondContact O-N 3.42Å; S61-C64 WeakPolarHBondContact O-CB 3.43Å; S61-C64 PolarHBondContact O-N 2.78Å; S61-V65 WeakPolarHBondContact O-CG2 3.35Å; S61-V65 PolarHBondContact O-N 2.87Å |
| 62 | V | 91.3 | Very high | 88.3 | Confident | 90 Ų | 90 | 44.7 Ų | 44.7 | 55% | 0.545 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -64 | -47.3 | 176.3 | 173.1 | 0 | 0 | 0 | 0 | 111 | A58 L59 C64 V65 V66 | A58-V62 WeakPolarHBondContact O-CG2 3.36Å; A58-V62 PolarHBondContact O-N 3.25Å; L59-V62 PolarHBondContact O-N 3.05Å; V62-C64 VanDerWaalsContact C-N 3.3Å; V62-C64 PolarHBondContact O-N 3.3Å; V62-V65 PolarHBondContact O-N 3.13Å; V62-V66 HydrophobicContact CG1-CG2 4.34Å; V62-V66 WeakPolarHBondContact O-CB 3.15Å; V62-V66 WeakPolarHBondContact O-CG2 3.3Å; V62-V66 PolarHBondContact O-N 3.48Å |
| 63 | I | 90.5 | Very high | 88.8 | Confident | 7 Ų | 7 | 43.7 Ų | 43.7 | 4% | 0.036 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.8 | -41.8 | 178.3 | -65.3 | 165.7 | 0 | 0 | 0 | 110.7 | L59 Y60 G67 T103 L106 A310 T314 | L59-I63 HydrophobicContact CD1-CD1 4.03Å; L59-I63 HydrophobicContact CD1-CG1 4.43Å; L59-I63 HydrophobicContact CG-CD1 3.93Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.39Å; L59-I63 PolarHBondContact O-N 3.39Å; Y60-I63 PolarHBondContact O-N 3.3Å; I63-G67 WeakPolarHBondContact O-CA 3.38Å; I63-G67 PolarHBondContact O-N 3.09Å; I63-T103 HydrophobicContact CG2-CG2 4.48Å; I63-L106 HydrophobicContact CB-CD1 4.05Å; I63-L106 HydrophobicContact CG2-CD1 3.69Å; I63-A310 HydrophobicContact CD1-CB 4.26Å; I63-A310 WeakPolarHBondContact CD1-O 3.32Å; I63-T314 WeakPolarHBondContact CD1-OG1 3.37Å |
| 64 | C | 91.8 | Very high | 89.4 | Confident | 13 Ų | 13 | 44 Ų | 44 | 9% | 0.088 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -59.3 | -52.8 | 176.6 | 178.2 | 0 | 0 | 0 | 0 | 111.6 | Y60 S61 V62 G67 L68 T103 L106 | Y60-C64 WeakPolarHBondContact O-CB 3.35Å; Y60-C64 PolarHBondContact O-N 2.96Å; S61-C64 WeakPolarHBondContact O-CB 3.43Å; S61-C64 PolarHBondContact O-N 2.78Å; V62-C64 VanDerWaalsContact C-N 3.3Å; V62-C64 PolarHBondContact O-N 3.3Å; C64-G67 PolarHBondContact O-N 3.46Å; C64-L68 VanDerWaalsContact O-CB 3.22Å; C64-L68 WeakPolarHBondContact O-CB 3.46Å; C64-L68 VanDerWaalsContact O-CG 3.32Å; C64-L68 WeakPolarHBondContact O-CG 3.35Å; C64-L68 PolarHBondContact O-N 3.35Å; C64-L68 WeakPolarHBondContact SG-CD1 3.38Å; C64-T103 PolarHBondContact SG-O 3.02Å; C64-L106 HydrophobicContact CB-CB 4.05Å; C64-L106 HydrophobicContact CB-CD1 4.01Å |
| 65 | V | 91.8 | Very high | 89.6 | Confident | 82 Ų | 82 | 41.2 Ų | 41.2 | 50% | 0.497 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -63.1 | -49.1 | -178.3 | 172.1 | 0 | 0 | 0 | 0 | 111.4 | S61 V62 L69 | S61-V65 WeakPolarHBondContact O-CG2 3.35Å; S61-V65 PolarHBondContact O-N 2.87Å; V62-V65 PolarHBondContact O-N 3.13Å; V65-L69 HydrophobicContact CG1-CD1 3.78Å; V65-L69 VanDerWaalsContact O-CB 3.31Å; V65-L69 WeakPolarHBondContact O-CB 3.17Å; V65-L69 VanDerWaalsContact O-CG 3.29Å; V65-L69 WeakPolarHBondContact O-CG 2.9Å; V65-L69 PolarHBondContact O-N 3.1Å; V65-L69 VanDerWaalsContact O-N 3.09Å |
| 66 | V | 90.4 | Very high | 89.7 | Confident | 66 Ų | 66 | 43.2 Ų | 43.2 | 40% | 0.4 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -64.8 | -44.6 | -179.4 | 175.4 | 0 | 0 | 0 | 0 | 110.7 | V62 G70 | V62-V66 HydrophobicContact CG1-CG2 4.34Å; V62-V66 WeakPolarHBondContact O-CB 3.15Å; V62-V66 WeakPolarHBondContact O-CG2 3.3Å; V62-V66 PolarHBondContact O-N 3.48Å; V66-G70 WeakPolarHBondContact O-CA 3.46Å; V66-G70 PolarHBondContact O-N 3.13Å |
| 67 | G | 90.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -66.9 | -48.4 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | I63 C64 N71 | I63-G67 WeakPolarHBondContact O-CA 3.38Å; I63-G67 PolarHBondContact O-N 3.09Å; C64-G67 PolarHBondContact O-N 3.46Å; G67-N71 WeakPolarHBondContact O-CB 3.16Å; G67-N71 PolarHBondContact O-N 3.32Å; G67-N71 PolarHBondContact O-ND2 3.44Å |
| 68 | L | 92.1 | Very high | 89.8 | Confident | 50 Ų | 50 | 41.8 Ų | 41.8 | 26% | 0.262 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -63.5 | -54.5 | 179.3 | -76 | 174.9 | 0 | 0 | 0 | 111.3 | C64 G70 N71 V72 A100 | C64-L68 VanDerWaalsContact O-CB 3.22Å; C64-L68 WeakPolarHBondContact O-CB 3.46Å; C64-L68 VanDerWaalsContact O-CG 3.32Å; C64-L68 WeakPolarHBondContact O-CG 3.35Å; C64-L68 PolarHBondContact O-N 3.35Å; C64-L68 WeakPolarHBondContact SG-CD1 3.38Å; L68-G70 PolarHBondContact O-N 3.12Å; L68-N71 PolarHBondContact O-N 3.18Å; L68-V72 VanDerWaalsContact O-CB 3.26Å; L68-V72 WeakPolarHBondContact O-CB 3.46Å; L68-V72 WeakPolarHBondContact O-CG2 3.27Å; L68-V72 PolarHBondContact O-N 3.49Å; L68-A100 VanDerWaalsContact CD2-O 3.24Å; L68-A100 WeakPolarHBondContact CD2-O 3.35Å |
| 69 | L | 90.6 | Very high | 89.6 | Confident | 122 Ų | 122 | 43.7 Ų | 43.7 | 64% | 0.639 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -62.7 | -44.3 | -177.6 | -65.8 | 177.7 | 0 | 0 | 0 | 111.3 | V65 L73 | V65-L69 HydrophobicContact CG1-CD1 3.78Å; V65-L69 VanDerWaalsContact O-CB 3.31Å; V65-L69 WeakPolarHBondContact O-CB 3.17Å; V65-L69 VanDerWaalsContact O-CG 3.29Å; V65-L69 WeakPolarHBondContact O-CG 2.9Å; V65-L69 PolarHBondContact O-N 3.1Å; V65-L69 VanDerWaalsContact O-N 3.09Å; L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.42Å; L69-L73 PolarHBondContact O-N 2.82Å |
| 70 | G | 89.5 | Confident | 89.3 | Confident | 13 Ų | 13 | 47.5 Ų | 47.5 | 13% | 0.134 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.3 | -48.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | V66 L68 L73 V74 P320 | V66-G70 WeakPolarHBondContact O-CA 3.46Å; V66-G70 PolarHBondContact O-N 3.13Å; L68-G70 PolarHBondContact O-N 3.12Å; G70-L73 PolarHBondContact O-N 3.28Å; G70-V74 WeakPolarHBondContact O-CG2 3.35Å; G70-V74 PolarHBondContact O-N 3.08Å; G70-P320 VanDerWaalsContact C-CG 3.44Å |
| 71 | N | 91.9 | Very high | 88.8 | Confident | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -72.5 | -36.4 | -177.4 | -73.4 | -60.7 | 0 | 0 | 0 | 112.5 | G67 L68 L73 V74 M75 A96 D99 A100 S316 P320 | G67-N71 WeakPolarHBondContact O-CB 3.16Å; G67-N71 PolarHBondContact O-N 3.32Å; G67-N71 PolarHBondContact O-ND2 3.44Å; L68-N71 PolarHBondContact O-N 3.18Å; N71-L73 VanDerWaalsContact C-N 3.31Å; N71-L73 PolarHBondContact O-N 3.31Å; N71-V74 PolarHBondContact O-N 3.33Å; N71-M75 WeakPolarHBondContact O-CG 3.28Å; N71-M75 PolarHBondContact O-N 3.49Å; N71-A96 HydrophobicContact CB-CB 4.1Å; N71-A96 WeakPolarHBondContact CB-O 3.44Å; N71-A96 WeakPolarHBondContact OD1-CA 3.19Å; N71-D99 WeakPolarHBondContact ND2-CB 3.35Å; N71-A100 HydrophobicContact CB-CB 4.09Å; N71-S316 PolarHBondContact ND2-O 3.32Å; N71-P320 HydrophobicContact CB-CG 4.43Å; N71-P320 VanDerWaalsContact OD1-CG 3.31Å; N71-P320 WeakPolarHBondContact OD1-CG 3.24Å |
| 72 | V | 91.7 | Very high | 87.7 | Confident | 77 Ų | 77 | 52.8 Ų | 52.8 | 47% | 0.467 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 172.3 | 170.3 | 0 | 0 | 0 | 0 | 111 | L68 M75 Y76 | L68-V72 VanDerWaalsContact O-CB 3.26Å; L68-V72 WeakPolarHBondContact O-CB 3.46Å; L68-V72 WeakPolarHBondContact O-CG2 3.27Å; L68-V72 PolarHBondContact O-N 3.49Å; V72-M75 HydrophobicContact CB-CE 4.46Å; V72-M75 HydrophobicContact CG2-CE 4.01Å; V72-M75 PolarHBondContact O-N 3.46Å; V72-Y76 WeakPolarHBondContact O-CB 3.24Å; V72-Y76 PolarHBondContact O-N 2.87Å |
| 73 | L | 88.4 | Confident | 86.7 | Confident | 16 Ų | 16 | 57.6 Ų | 57.6 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.8 | -40.4 | 176.6 | -179.4 | 58.3 | 0 | 0 | 0 | 112.5 | L69 G70 N71 Y76 G77 F334 F337 | L69-L73 VanDerWaalsContact O-CB 3.27Å; L69-L73 WeakPolarHBondContact O-CB 3.42Å; L69-L73 PolarHBondContact O-N 2.82Å; G70-L73 PolarHBondContact O-N 3.28Å; N71-L73 VanDerWaalsContact C-N 3.31Å; N71-L73 PolarHBondContact O-N 3.31Å; L73-Y76 HydrophobicContact CD1-CD1 4.39Å; L73-Y76 PolarHBondContact O-N 2.74Å; L73-G77 PolarHBondContact O-N 3.04Å; L73-F334 HydrophobicContact CD2-CB 4.46Å; L73-F334 HydrophobicContact CD2-CD2 3.17Å; L73-F334 HydrophobicContact CD2-CE2 3.52Å; L73-F334 HydrophobicContact CD2-CG 4.07Å; L73-F334 HydrophobicContact CG-CD2 4.47Å; L73-F337 HydrophobicContact CD1-CB 3.6Å; L73-F337 HydrophobicContact CD1-CD1 3.75Å; L73-F337 HydrophobicContact CD1-CD2 3.71Å; L73-F337 HydrophobicContact CD1-CE1 4.34Å; L73-F337 HydrophobicContact CD1-CE2 4.3Å; L73-F337 HydrophobicContact CD1-CG 3.4Å; L73-F337 VanDerWaalsContact CD1-CG 3.4Å; L73-F337 HydrophobicContact CD2-CD1 4.34Å |
| 74 | V | 88.3 | Confident | 85.9 | Confident | 8 Ų | 8 | 57.6 Ų | 57.6 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -59.6 | -47.5 | 173.4 | 166.9 | 0 | 0 | 0 | 0 | 110.7 | G70 N71 G77 V78 I92 A96 P320 Y323 F330 | G70-V74 WeakPolarHBondContact O-CG2 3.35Å; G70-V74 PolarHBondContact O-N 3.08Å; N71-V74 PolarHBondContact O-N 3.33Å; V74-G77 PolarHBondContact O-N 2.84Å; V74-V78 WeakPolarHBondContact O-CG2 3.29Å; V74-V78 PolarHBondContact O-N 3.47Å; V74-V78 VanDerWaalsContact O-N 3.12Å; V74-I92 HydrophobicContact CG1-CG2 3.45Å; V74-I92 VanDerWaalsContact CG1-CG2 3.45Å; V74-A96 HydrophobicContact CB-CB 4.09Å; V74-A96 HydrophobicContact CG1-CB 3.68Å; V74-P320 HydrophobicContact CG2-CB 4.01Å; V74-P320 HydrophobicContact CG2-CG 4.31Å; V74-Y323 HydrophobicContact CG2-CD2 4.26Å; V74-F330 HydrophobicContact CB-CE1 4.43Å; V74-F330 HydrophobicContact CG1-CE1 4Å; V74-F330 HydrophobicContact CG2-CE1 4.28Å |
| 75 | M | 90.4 | Very high | 85.2 | Confident | 31 Ų | 31 | 62.4 Ų | 62.4 | 15% | 0.153 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -60 | -47.6 | 176.5 | -72.9 | -169.9 | -69.1 | 0 | 0 | 111.7 | N71 V72 G77 V78 V79 F93 A96 L97 A100 | N71-M75 WeakPolarHBondContact O-CG 3.28Å; N71-M75 PolarHBondContact O-N 3.49Å; V72-M75 HydrophobicContact CB-CE 4.46Å; V72-M75 HydrophobicContact CG2-CE 4.01Å; V72-M75 PolarHBondContact O-N 3.46Å; M75-G77 PolarHBondContact O-N 2.67Å; M75-V78 PolarHBondContact O-N 2.96Å; M75-V79 WeakPolarHBondContact O-CG2 3.3Å; M75-V79 PolarHBondContact O-N 3.3Å; M75-V79 VanDerWaalsContact O-N 3.09Å; M75-F93 HydrophobicContact CB-CD2 4.02Å; M75-F93 HydrophobicContact CB-CE2 3.69Å; M75-F93 HydrophobicContact CG-CD2 3.94Å; M75-F93 HydrophobicContact CG-CE2 3.78Å; M75-F93 HydrophobicContact CG-CZ 4.33Å; M75-F93 HydrophobicContact SD-CE2 4.34Å; M75-F93 HydrophobicContact SD-CZ 4.33Å; M75-A96 HydrophobicContact CG-CB 3.77Å; M75-L97 HydrophobicContact SD-CB 3.94Å; M75-L97 HydrophobicContact SD-CD1 4.1Å; M75-A100 HydrophobicContact CE-CB 3.87Å |
| 76 | Y | 87.7 | Confident | 84.8 | Confident | 110 Ų | 110 | 61.4 Ų | 61.4 | 43% | 0.431 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -57.4 | -47 | 177.2 | 174.9 | -102.2 | 0 | 0 | 0 | 111.8 | V72 L73 V78 V79 R80 F337 | V72-Y76 WeakPolarHBondContact O-CB 3.24Å; V72-Y76 PolarHBondContact O-N 2.87Å; L73-Y76 HydrophobicContact CD1-CD1 4.39Å; L73-Y76 PolarHBondContact O-N 2.74Å; Y76-V78 PolarHBondContact O-N 2.79Å; Y76-V79 PolarHBondContact O-N 2.89Å; Y76-R80 HydrophobicContact CE1-CB 4.37Å; Y76-R80 HydrophobicContact CE1-CG 4.38Å; Y76-R80 HydrophobicContact CE2-CB 4.36Å; Y76-R80 WeakPolarHBondContact O-CB 3.42Å; Y76-R80 PolarHBondContact O-N 2.88Å; Y76-F337 HydrophobicContact CD1-CD2 4.19Å; Y76-F337 HydrophobicContact CE1-CD2 4.13Å |
| 77 | G | 84.4 | Confident | 84.4 | Confident | 0 Ų | 0 | 58.6 Ų | 58.6 | 0% | 0 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113 | L73 V74 M75 V79 R80 Y81 C333 | L73-G77 PolarHBondContact O-N 3.04Å; V74-G77 PolarHBondContact O-N 2.84Å; M75-G77 PolarHBondContact O-N 2.67Å; G77-V79 VanDerWaalsContact C-N 3.35Å; G77-V79 PolarHBondContact O-N 3.5Å; G77-R80 PolarHBondContact O-N 2.85Å; G77-Y81 WeakPolarHBondContact O-CD2 3.4Å; G77-Y81 PolarHBondContact O-N 3.48Å; G77-Y81 VanDerWaalsContact O-N 3.13Å; G77-C333 WeakPolarHBondContact CA-SG 3.43Å |
| 78 | V | 85.2 | Confident | 84.1 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 179 | 175.3 | 0 | 0 | 0 | 0 | 112 | V74 M75 Y76 M84 N89 F93 F330 | V74-V78 WeakPolarHBondContact O-CG2 3.29Å; V74-V78 PolarHBondContact O-N 3.47Å; V74-V78 VanDerWaalsContact O-N 3.12Å; M75-V78 PolarHBondContact O-N 2.96Å; Y76-V78 PolarHBondContact O-N 2.79Å; V78-M84 HydrophobicContact CG2-CE 4.37Å; V78-N89 HydrophobicContact CG1-CB 4.37Å; V78-N89 HydrophobicContact CG2-CB 4.2Å; V78-F93 HydrophobicContact CB-CB 4.48Å; V78-F93 HydrophobicContact CB-CD2 4.17Å; V78-F93 HydrophobicContact CG1-CB 4.15Å; V78-F93 HydrophobicContact CG1-CD2 4.26Å; V78-F330 HydrophobicContact CG2-CE1 4.43Å; V78-F330 HydrophobicContact CG2-CZ 4.16Å |
| 79 | V | 86.2 | Confident | 83.8 | Confident | 91 Ų | 91 | 57.4 Ų | 57.4 | 55% | 0.552 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -71.3 | -44.3 | 179.2 | 173.4 | 0 | 0 | 0 | 0 | 111.4 | M75 Y76 G77 F93 | M75-V79 WeakPolarHBondContact O-CG2 3.3Å; M75-V79 PolarHBondContact O-N 3.3Å; M75-V79 VanDerWaalsContact O-N 3.09Å; Y76-V79 PolarHBondContact O-N 2.89Å; G77-V79 VanDerWaalsContact C-N 3.35Å; G77-V79 PolarHBondContact O-N 3.5Å; V79-F93 HydrophobicContact CG2-CD2 4.32Å; V79-F93 HydrophobicContact CG2-CE2 3.66Å; V79-F93 HydrophobicContact CG2-CZ 4.43Å |
| 80 | R | 82.4 | Confident | 83.7 | Confident | 146 Ų | 146 | 52.5 Ų | 52.5 | 55% | 0.551 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -74.1 | -36.9 | -171.3 | 179.6 | 59.9 | -174.4 | 81.2 | -1.8 | 113.8 | Y76 G77 | Y76-R80 HydrophobicContact CE1-CB 4.37Å; Y76-R80 HydrophobicContact CE1-CG 4.38Å; Y76-R80 HydrophobicContact CE2-CB 4.36Å; Y76-R80 WeakPolarHBondContact O-CB 3.42Å; Y76-R80 PolarHBondContact O-N 2.88Å; G77-R80 PolarHBondContact O-N 2.85Å |
| 81 | Y | 78.1 | Confident | 83.7 | Confident | 69 Ų | 69 | 52 Ų | 52 | 27% | 0.271 | 25% | 0.253 | S | S | . | . | trans | -102.5 | 111.3 | -174.9 | -64.6 | -85.1 | 0 | 0 | 0 | 110.8 | G77 K83 M84 C333 D336 | G77-Y81 WeakPolarHBondContact O-CD2 3.4Å; G77-Y81 PolarHBondContact O-N 3.48Å; G77-Y81 VanDerWaalsContact O-N 3.13Å; Y81-K83 PolarHBondContact O-N 3Å; Y81-M84 HydrophobicContact CD2-SD 4.15Å; Y81-M84 HydrophobicContact CG-SD 4.33Å; Y81-M84 WeakPolarHBondContact O-CA 3.43Å; Y81-M84 WeakPolarHBondContact O-CB 3.34Å; Y81-M84 PolarHBondContact O-N 3.02Å; Y81-C333 HydrophobicContact CD2-CB 4.46Å; Y81-C333 HydrophobicContact CE2-CB 3.98Å; Y81-C333 VanDerWaalsContact CE2-SG 3.52Å; Y81-D336 WeakPolarHBondContact OH-CB 3.44Å; Y81-D336 PolarHBondContact OH-OD2 2.85Å | ||
| 82 | T | 68.3 | Low | 83.5 | Confident | 109 Ų | 109 | 52.4 Ų | 52.4 | 67% | 0.669 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -57.9 | -33.8 | 179.4 | 46 | 0 | 0 | 0 | 0 | 113.3 | M84 K85 | T82-M84 PolarHBondContact O-N 3.3Å; T82-M84 VanDerWaalsContact O-N 3.17Å; T82-K85 WeakPolarHBondContact O-CB 3.39Å; T82-K85 PolarHBondContact O-N 2.88Å; T82-K85 VanDerWaalsContact O-N 3.1Å |
| 83 | K | 71.6 | Confident | 83.5 | Confident | 191 Ų | 191 | 51.6 Ų | 51.6 | 83% | 0.83 | 25% | 0.246 | S | C | * | . | G | 310 helix | trans | -61.9 | -19.2 | 173.6 | -65.7 | -172.5 | 178.9 | -177.5 | 0 | 113.3 | Y81 | Y81-K83 PolarHBondContact O-N 3Š|
| 84 | M | 72.8 | Confident | 83.7 | Confident | 7 Ų | 7 | 51.1 Ų | 51.1 | 3% | 0.034 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -92.3 | 2.9 | 178.2 | -61.9 | -175.9 | 71.7 | 0 | 0 | 113 | V78 Y81 T82 T86 N89 F330 | V78-M84 HydrophobicContact CG2-CE 4.37Å; Y81-M84 HydrophobicContact CD2-SD 4.15Å; Y81-M84 HydrophobicContact CG-SD 4.33Å; Y81-M84 WeakPolarHBondContact O-CA 3.43Å; Y81-M84 WeakPolarHBondContact O-CB 3.34Å; Y81-M84 PolarHBondContact O-N 3.02Å; T82-M84 PolarHBondContact O-N 3.3Å; T82-M84 VanDerWaalsContact O-N 3.17Å; M84-T86 PolarHBondContact O-N 3.37Å; M84-N89 WeakPolarHBondContact CA-ND2 3.42Å; M84-N89 WeakPolarHBondContact O-CB 3.46Å; M84-N89 PolarHBondContact O-ND2 3.12Å; M84-F330 HydrophobicContact CE-CD1 3.72Å; M84-F330 HydrophobicContact CE-CD2 3.74Å; M84-F330 HydrophobicContact CE-CE1 3.41Å; M84-F330 VanDerWaalsContact CE-CE1 3.41Å; M84-F330 HydrophobicContact CE-CE2 3.48Å; M84-F330 VanDerWaalsContact CE-CE2 3.48Å; M84-F330 HydrophobicContact CE-CG 3.9Å; M84-F330 HydrophobicContact CE-CZ 3.31Å |
| 85 | K | 77 | Confident | 83.8 | Confident | 113 Ų | 113 | 50.8 Ų | 50.8 | 49% | 0.491 | 24% | 0.241 | S | C | . | . | trans | -82.4 | 48.4 | 178 | -62.9 | -179.3 | 179.7 | 175.5 | 0 | 112.7 | T82 | T82-K85 WeakPolarHBondContact O-CB 3.39Å; T82-K85 PolarHBondContact O-N 2.88Å; T82-K85 VanDerWaalsContact O-N 3.1Å | ||
| 86 | T | 83.8 | Confident | 83.9 | Confident | 62 Ų | 62 | 49.4 Ų | 49.4 | 38% | 0.38 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -90.1 | 160.8 | 176.9 | 69.4 | 0 | 0 | 0 | 0 | 111.1 | M84 T88 N89 I90 | M84-T86 PolarHBondContact O-N 3.37Å; T86-T88 VanDerWaalsContact C-N 3.3Å; T86-T88 PolarHBondContact O-N 3.24Å; T86-N89 PolarHBondContact O-N 2.81Å; T86-N89 VanDerWaalsContact O-N 3.14Å; T86-N89 WeakPolarHBondContact OG1-CB 3.36Å; T86-N89 PolarHBondContact OG1-N 3.42Å; T86-N89 PolarHBondContact OG1-ND2 3.3Å; T86-I90 WeakPolarHBondContact O-CG1 3.39Å; T86-I90 PolarHBondContact O-N 2.76Å |
| 87 | A | 82.8 | Confident | 84.2 | Confident | 6 Ų | 6 | 46.9 Ų | 46.9 | 5% | 0.05 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -55.3 | -43.3 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | N89 I90 Y91 R164 A169 | A87-N89 PolarHBondContact O-N 3.06Å; A87-I90 WeakPolarHBondContact O-CB 3.26Å; A87-I90 PolarHBondContact O-N 2.87Å; A87-Y91 VanDerWaalsContact O-CD2 3.27Å; A87-Y91 WeakPolarHBondContact O-CD2 3.37Å; A87-Y91 PolarHBondContact O-N 3.33Å; A87-R164 HydrophobicContact CB-CB 4.22Å; A87-R164 WeakPolarHBondContact CB-O 3.33Å; A87-A169 HydrophobicContact CB-CB 3.94Å |
| 88 | T | 82.4 | Confident | 84.6 | Confident | 10 Ų | 10 | 47 Ų | 47 | 6% | 0.061 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63 | -43.4 | 176 | -57.5 | 0 | 0 | 0 | 0 | 112.2 | T86 I90 Y91 I92 M146 D149 R150 R164 | T86-T88 VanDerWaalsContact C-N 3.3Å; T86-T88 PolarHBondContact O-N 3.24Å; T88-I90 PolarHBondContact O-N 3.45Å; T88-Y91 WeakPolarHBondContact O-CB 3.29Å; T88-Y91 PolarHBondContact O-N 2.89Å; T88-Y91 VanDerWaalsContact O-N 3.08Å; T88-I92 HydrophobicContact CG2-CD1 4.07Å; T88-I92 HydrophobicContact CG2-CG1 4.45Å; T88-I92 WeakPolarHBondContact O-CG1 3.38Å; T88-I92 PolarHBondContact O-N 2.78Å; T88-M146 HydrophobicContact CG2-CE 4.42Å; T88-D149 PolarHBondContact OG1-OD2 3.4Å; T88-R150 PolarHBondContact OG1-NH2 3.33Å; T88-R164 PolarHBondContact OG1-NH2 3.35Å |
| 89 | N | 85.4 | Confident | 85 | Confident | 15 Ų | 15 | 46.6 Ų | 46.6 | 8% | 0.08 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.1 | -22.8 | -177.8 | -68.8 | -6.1 | 0 | 0 | 0 | 112.4 | V78 M84 T86 A87 I92 F93 | V78-N89 HydrophobicContact CG1-CB 4.37Å; V78-N89 HydrophobicContact CG2-CB 4.2Å; M84-N89 WeakPolarHBondContact CA-ND2 3.42Å; M84-N89 WeakPolarHBondContact O-CB 3.46Å; M84-N89 PolarHBondContact O-ND2 3.12Å; T86-N89 PolarHBondContact O-N 2.81Å; T86-N89 VanDerWaalsContact O-N 3.14Å; T86-N89 WeakPolarHBondContact OG1-CB 3.36Å; T86-N89 PolarHBondContact OG1-N 3.42Å; T86-N89 PolarHBondContact OG1-ND2 3.3Å; A87-N89 PolarHBondContact O-N 3.06Å; N89-I92 PolarHBondContact O-N 2.99Å; N89-F93 WeakPolarHBondContact O-CB 3.39Å; N89-F93 PolarHBondContact O-N 3.09Å |
| 90 | I | 90.1 | Very high | 85.3 | Confident | 19 Ų | 19 | 42.8 Ų | 42.8 | 10% | 0.097 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -69 | -37.2 | 170 | -72.5 | 163.1 | 0 | 0 | 0 | 111.3 | T86 A87 T88 N94 P166 A169 K170 N173 | T86-I90 WeakPolarHBondContact O-CG1 3.39Å; T86-I90 PolarHBondContact O-N 2.76Å; A87-I90 WeakPolarHBondContact O-CB 3.26Å; A87-I90 PolarHBondContact O-N 2.87Å; T88-I90 PolarHBondContact O-N 3.45Å; I90-N94 PolarHBondContact O-N 3.3Å; I90-N94 VanDerWaalsContact O-N 3.13Å; I90-P166 HydrophobicContact CD1-CB 3.6Å; I90-A169 HydrophobicContact CB-CB 4.1Å; I90-A169 HydrophobicContact CD1-CB 4.37Å; I90-A169 HydrophobicContact CG2-CB 3.85Å; I90-K170 HydrophobicContact CD1-CG 4.33Å; I90-K170 HydrophobicContact CG2-CG 4.11Å; I90-N173 WeakPolarHBondContact CG2-ND2 3.43Å; I90-N173 PolarHBondContact O-ND2 3.36Å |
| 91 | Y | 89.3 | Confident | 85.8 | Confident | 4 Ų | 4 | 39 Ų | 39 | 2% | 0.016 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -42.2 | 170.1 | -63.6 | -56.6 | 0 | 0 | 0 | 111.7 | A87 T88 F93 N94 L95 T142 M145 M146 D149 A169 I172 N173 | A87-Y91 VanDerWaalsContact O-CD2 3.27Å; A87-Y91 WeakPolarHBondContact O-CD2 3.37Å; A87-Y91 PolarHBondContact O-N 3.33Å; T88-Y91 WeakPolarHBondContact O-CB 3.29Å; T88-Y91 PolarHBondContact O-N 2.89Å; T88-Y91 VanDerWaalsContact O-N 3.08Å; Y91-F93 VanDerWaalsContact C-N 3.29Å; Y91-F93 PolarHBondContact O-N 2.82Å; Y91-N94 WeakPolarHBondContact O-CB 3.42Å; Y91-N94 PolarHBondContact O-N 3.1Å; Y91-N94 VanDerWaalsContact O-N 3.1Å; Y91-L95 PolarHBondContact O-N 3.11Å; Y91-T142 WeakPolarHBondContact O-CG2 3.48Å; Y91-M145 HydrophobicContact CD1-CG 4.29Å; Y91-M145 HydrophobicContact CE1-CB 4.35Å; Y91-M145 HydrophobicContact CE1-CG 3.58Å; Y91-M145 HydrophobicContact CE2-CG 4.23Å; Y91-M146 HydrophobicContact CD2-CG 4.36Å; Y91-M146 HydrophobicContact CG-CG 4.13Å; Y91-D149 HydrophobicContact CE2-CB 4.26Å; Y91-A169 HydrophobicContact CE1-CB 4.39Å; Y91-A169 HydrophobicContact CE2-CB 4.22Å; Y91-I172 HydrophobicContact CE1-CB 4.17Å; Y91-I172 HydrophobicContact CE1-CG2 3.94Å; Y91-I172 WeakPolarHBondContact OH-CD1 3.49Å; Y91-N173 WeakPolarHBondContact CD1-OD1 3.33Å |
| 92 | I | 88.3 | Confident | 86.4 | Confident | 8 Ų | 8 | 35.7 Ų | 35.7 | 4% | 0.041 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 175.8 | -68.3 | 172.6 | 0 | 0 | 0 | 111 | V74 T88 N89 N94 L95 A96 M146 Y323 F330 | V74-I92 HydrophobicContact CG1-CG2 3.45Å; V74-I92 VanDerWaalsContact CG1-CG2 3.45Å; T88-I92 HydrophobicContact CG2-CD1 4.07Å; T88-I92 HydrophobicContact CG2-CG1 4.45Å; T88-I92 WeakPolarHBondContact O-CG1 3.38Å; T88-I92 PolarHBondContact O-N 2.78Å; N89-I92 PolarHBondContact O-N 2.99Å; I92-N94 VanDerWaalsContact C-N 3.34Å; I92-N94 PolarHBondContact O-N 3.03Å; I92-L95 PolarHBondContact O-N 3.22Å; I92-A96 WeakPolarHBondContact O-CB 3.39Å; I92-A96 PolarHBondContact O-N 3.43Å; I92-M146 HydrophobicContact CD1-CE 4.36Å; I92-M146 HydrophobicContact CG1-CE 3.67Å; I92-M146 HydrophobicContact CG1-SD 4.49Å; I92-Y323 HydrophobicContact CB-CE2 4.45Å; I92-Y323 HydrophobicContact CD1-CD1 4.25Å; I92-Y323 HydrophobicContact CD1-CE1 4.04Å; I92-Y323 HydrophobicContact CG1-CE1 4.08Å; I92-Y323 HydrophobicContact CG1-CE2 4.33Å; I92-Y323 HydrophobicContact CG2-CD2 3.89Å; I92-Y323 HydrophobicContact CG2-CE2 3.56Å; I92-F330 HydrophobicContact CD1-CE2 4.22Å; I92-F330 HydrophobicContact CD1-CZ 4.35Å; I92-F330 HydrophobicContact CG2-CZ 4Å |
| 93 | F | 91.2 | Very high | 87.5 | Confident | 61 Ų | 61 | 30.5 Ų | 30.5 | 27% | 0.268 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.5 | -178.7 | -85.1 | 0 | 0 | 0 | 111.8 | M75 V78 V79 N89 Y91 A96 L97 | M75-F93 HydrophobicContact CB-CD2 4.02Å; M75-F93 HydrophobicContact CB-CE2 3.69Å; M75-F93 HydrophobicContact CG-CD2 3.94Å; M75-F93 HydrophobicContact CG-CE2 3.78Å; M75-F93 HydrophobicContact CG-CZ 4.33Å; M75-F93 HydrophobicContact SD-CE2 4.34Å; M75-F93 HydrophobicContact SD-CZ 4.33Å; V78-F93 HydrophobicContact CB-CB 4.48Å; V78-F93 HydrophobicContact CB-CD2 4.17Å; V78-F93 HydrophobicContact CG1-CB 4.15Å; V78-F93 HydrophobicContact CG1-CD2 4.26Å; V79-F93 HydrophobicContact CG2-CD2 4.32Å; V79-F93 HydrophobicContact CG2-CE2 3.66Å; V79-F93 HydrophobicContact CG2-CZ 4.43Å; N89-F93 WeakPolarHBondContact O-CB 3.39Å; N89-F93 PolarHBondContact O-N 3.09Å; Y91-F93 VanDerWaalsContact C-N 3.29Å; Y91-F93 PolarHBondContact O-N 2.82Å; F93-A96 PolarHBondContact O-N 3.35Å; F93-L97 WeakPolarHBondContact O-CB 3.33Å; F93-L97 PolarHBondContact O-N 2.99Å |
| 94 | N | 92.6 | Very high | 88.5 | Confident | 6 Ų | 6 | 23.6 Ų | 23.6 | 3% | 0.032 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.2 | -44.8 | 177.7 | -163.9 | 64.2 | 0 | 0 | 0 | 112.2 | I90 Y91 I92 L97 A98 T142 W177 | I90-N94 PolarHBondContact O-N 3.3Å; I90-N94 VanDerWaalsContact O-N 3.13Å; Y91-N94 WeakPolarHBondContact O-CB 3.42Å; Y91-N94 PolarHBondContact O-N 3.1Å; Y91-N94 VanDerWaalsContact O-N 3.1Å; I92-N94 VanDerWaalsContact C-N 3.34Å; I92-N94 PolarHBondContact O-N 3.03Å; N94-L97 PolarHBondContact O-N 3.31Å; N94-A98 PolarHBondContact O-N 3.31Å; N94-T142 HydrophobicContact CB-CG2 4.38Å; N94-T142 PolarHBondContact ND2-OG1 3.48Å; N94-W177 PolarHBondContact OD1-NE1 3.24Å |
| 95 | L | 90.3 | Very high | 89.3 | Confident | 1 Ų | 1 | 23.4 Ų | 23.4 | 1% | 0.005 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.5 | -45.6 | 177 | -170.7 | 64.7 | 0 | 0 | 0 | 111 | Y91 I92 L97 A98 D99 T142 L143 N319 Y323 | Y91-L95 PolarHBondContact O-N 3.11Å; I92-L95 PolarHBondContact O-N 3.22Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 2.89Å; L95-A98 PolarHBondContact O-N 3.36Å; L95-D99 WeakPolarHBondContact O-CB 3.49Å; L95-D99 VanDerWaalsContact O-CG 3.26Å; L95-D99 PolarHBondContact O-N 3.48Å; L95-T142 HydrophobicContact CB-CG2 4.08Å; L95-L143 HydrophobicContact CD2-CD2 4.06Å; L95-L143 HydrophobicContact CD2-CG 4.49Å; L95-N319 HydrophobicContact CD2-CB 4.35Å; L95-N319 WeakPolarHBondContact CD2-ND2 3.32Å; L95-Y323 VanDerWaalsContact CD2-OH 3.29Å; L95-Y323 WeakPolarHBondContact CD2-OH 3.42Å |
| 96 | A | 92.1 | Very high | 89.8 | Confident | 1 Ų | 1 | 18 Ų | 18 | 1% | 0.008 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -62.8 | -36 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | N71 V74 M75 I92 F93 A100 | N71-A96 HydrophobicContact CB-CB 4.1Å; N71-A96 WeakPolarHBondContact CB-O 3.44Å; N71-A96 WeakPolarHBondContact OD1-CA 3.19Å; V74-A96 HydrophobicContact CB-CB 4.09Å; V74-A96 HydrophobicContact CG1-CB 3.68Å; M75-A96 HydrophobicContact CG-CB 3.77Å; I92-A96 WeakPolarHBondContact O-CB 3.39Å; I92-A96 PolarHBondContact O-N 3.43Å; F93-A96 PolarHBondContact O-N 3.35Å; A96-A100 WeakPolarHBondContact O-CB 3.44Å; A96-A100 PolarHBondContact O-N 3.48Å |
| 97 | L | 94.3 | Very high | 90.1 | Very high | 57 Ų | 57 | 18.2 Ų | 18.2 | 30% | 0.298 | 10% | 0.104 | S | C | . | . | H | α-helix | trans | -63.9 | -49.8 | 173.6 | 176.3 | 61.8 | 0 | 0 | 0 | 111.3 | M75 F93 N94 L95 D99 A100 L101 W177 | M75-L97 HydrophobicContact SD-CB 3.94Å; M75-L97 HydrophobicContact SD-CD1 4.1Å; F93-L97 WeakPolarHBondContact O-CB 3.33Å; F93-L97 PolarHBondContact O-N 2.99Å; N94-L97 PolarHBondContact O-N 3.31Å; L95-L97 VanDerWaalsContact C-N 3.31Å; L95-L97 PolarHBondContact O-N 2.89Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 3.38Å; L97-A100 PolarHBondContact O-N 2.89Å; L97-L101 HydrophobicContact CD1-CD1 4.31Å; L97-L101 HydrophobicContact CD1-CG 4.47Å; L97-L101 HydrophobicContact CG-CD1 4.35Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 2.85Å; L97-W177 HydrophobicContact CD2-CZ2 3.98Å; L97-W177 HydrophobicContact CG-CZ2 4.33Å |
| 98 | A | 93.2 | Very high | 90.3 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 2% | 0.017 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60 | -43.5 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | N94 L95 L101 A102 N135 T138 | N94-A98 PolarHBondContact O-N 3.31Å; L95-A98 PolarHBondContact O-N 3.36Å; A98-L101 PolarHBondContact O-N 3.37Å; A98-A102 PolarHBondContact O-N 2.93Å; A98-N135 PolarHBondContact O-ND2 3.44Å; A98-T138 VanDerWaalsContact CB-OG1 3.27Å; A98-T138 WeakPolarHBondContact CB-OG1 3.26Å |
| 99 | D | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 22.6 Ų | 22.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -70.7 | -37 | -179.3 | -72.7 | -21.9 | 0 | 0 | 0 | 112.6 | N71 L95 L97 A102 T103 N135 S139 S316 N319 | N71-D99 WeakPolarHBondContact ND2-CB 3.35Å; L95-D99 WeakPolarHBondContact O-CB 3.49Å; L95-D99 VanDerWaalsContact O-CG 3.26Å; L95-D99 PolarHBondContact O-N 3.48Å; L97-D99 VanDerWaalsContact C-N 3.33Å; L97-D99 PolarHBondContact O-N 3.38Å; D99-A102 PolarHBondContact O-N 3.28Å; D99-T103 WeakPolarHBondContact O-CB 3.19Å; D99-T103 WeakPolarHBondContact O-CG2 3.27Å; D99-T103 PolarHBondContact O-N 3Å; D99-T103 PolarHBondContact O-OG1 3.34Å; D99-N135 WeakPolarHBondContact CA-ND2 3.47Å; D99-N135 PolarHBondContact N-ND2 3.28Å; D99-N135 PolarHBondContact OD1-ND2 2.97Å; D99-N135 VanDerWaalsContact OD1-ND2 3.12Å; D99-S139 PolarHBondContact OD1-OG 3.43Å; D99-S316 VanDerWaalsContact CG-CB 3.41Å; D99-S316 WeakPolarHBondContact OD1-CB 3.31Å; D99-S316 PolarHBondContact OD1-OG 3.3Å; D99-N319 PolarHBondContact OD2-ND2 2.98Å |
| 100 | A | 93.3 | Very high | 90.2 | Very high | 11 Ų | 11 | 22.2 Ų | 22.2 | 9% | 0.091 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -63.9 | -41.1 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | L68 N71 M75 A96 L97 T103 S104 | L68-A100 VanDerWaalsContact CD2-O 3.24Å; L68-A100 WeakPolarHBondContact CD2-O 3.35Å; N71-A100 HydrophobicContact CB-CB 4.09Å; M75-A100 HydrophobicContact CE-CB 3.87Å; A96-A100 WeakPolarHBondContact O-CB 3.44Å; A96-A100 PolarHBondContact O-N 3.48Å; L97-A100 PolarHBondContact O-N 2.89Å; A100-T103 PolarHBondContact O-OG1 3.06Å; A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 3.42Å |
| 101 | L | 93.1 | Very high | 89.9 | Confident | 66 Ų | 66 | 22.4 Ų | 22.4 | 35% | 0.346 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -62.2 | -49.7 | 175.6 | -70.5 | 169.8 | 0 | 0 | 0 | 111.2 | L97 A98 S104 I131 W177 | L97-L101 HydrophobicContact CD1-CD1 4.31Å; L97-L101 HydrophobicContact CD1-CG 4.47Å; L97-L101 HydrophobicContact CG-CD1 4.35Å; L97-L101 WeakPolarHBondContact O-CG 3.44Å; L97-L101 PolarHBondContact O-N 2.85Å; A98-L101 PolarHBondContact O-N 3.37Å; L101-S104 WeakPolarHBondContact O-CB 3.36Å; L101-S104 PolarHBondContact O-N 2.78Å; L101-S104 PolarHBondContact O-OG 3.06Å; L101-I131 HydrophobicContact CB-CG2 3.95Å; L101-W177 HydrophobicContact CD1-CH2 4.11Å |
| 102 | A | 89.9 | Confident | 89.5 | Confident | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -62.4 | -45.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113 | A98 D99 S104 T105 N135 Y313 | A98-A102 PolarHBondContact O-N 2.93Å; D99-A102 PolarHBondContact O-N 3.28Å; A102-S104 PolarHBondContact O-N 3.24Å; A102-T105 PolarHBondContact O-N 3.42Å; A102-T105 PolarHBondContact O-OG1 3.45Å; A102-N135 HydrophobicContact CB-CB 3.64Å; A102-N135 VanDerWaalsContact CB-CG 3.41Å; A102-N135 VanDerWaalsContact CB-ND2 3.34Å; A102-N135 WeakPolarHBondContact CB-ND2 3.42Å; A102-Y313 HydrophobicContact CB-CD1 4.49Å; A102-Y313 HydrophobicContact CB-CE1 4.22Å |
| 103 | T | 90.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -66.8 | -23.7 | 179.8 | 51.4 | 0 | 0 | 0 | 0 | 112.9 | I63 C64 D99 A100 T105 L106 | I63-T103 HydrophobicContact CG2-CG2 4.48Å; C64-T103 PolarHBondContact SG-O 3.02Å; D99-T103 WeakPolarHBondContact O-CB 3.19Å; D99-T103 WeakPolarHBondContact O-CG2 3.27Å; D99-T103 PolarHBondContact O-N 3Å; D99-T103 PolarHBondContact O-OG1 3.34Å; A100-T103 PolarHBondContact O-OG1 3.06Å; T103-T105 VanDerWaalsContact C-N 3.27Å; T103-T105 PolarHBondContact O-N 3.19Å; T103-L106 HydrophobicContact CG2-CD1 4.26Å; T103-L106 PolarHBondContact O-N 3.4Å |
| 104 | S | 92.4 | Very high | 88.4 | Confident | 47 Ų | 47 | 25.7 Ų | 25.7 | 33% | 0.329 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -69.4 | -19.1 | 171.2 | 80.6 | 0 | 0 | 0 | 0 | 114.3 | A100 L101 A102 P107 | A100-S104 WeakPolarHBondContact O-CB 3.43Å; A100-S104 PolarHBondContact O-N 3.42Å; L101-S104 WeakPolarHBondContact O-CB 3.36Å; L101-S104 PolarHBondContact O-N 2.78Å; L101-S104 PolarHBondContact O-OG 3.06Å; A102-S104 PolarHBondContact O-N 3.24Å; S104-P107 WeakPolarHBondContact O-CD 3.23Å |
| 105 | T | 90.1 | Very high | 87.7 | Confident | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.012 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -82.1 | -22 | 178.5 | 74.2 | 0 | 0 | 0 | 0 | 112.6 | A102 T103 P107 F108 Q109 I128 I131 D132 | A102-T105 PolarHBondContact O-N 3.42Å; A102-T105 PolarHBondContact O-OG1 3.45Å; T103-T105 VanDerWaalsContact C-N 3.27Å; T103-T105 PolarHBondContact O-N 3.19Å; T105-P107 VanDerWaalsContact C-CD 3.48Å; T105-F108 WeakPolarHBondContact O-CB 3.21Å; T105-F108 PolarHBondContact O-N 3.39Å; T105-F108 VanDerWaalsContact O-N 3.08Å; T105-Q109 PolarHBondContact O-N 3.36Å; T105-I128 HydrophobicContact CG2-CB 4.46Å; T105-I128 HydrophobicContact CG2-CG1 4Å; T105-I128 HydrophobicContact CG2-CG2 4.29Å; T105-I131 HydrophobicContact CG2-CB 3.92Å; T105-I131 HydrophobicContact CG2-CD1 4.07Å; T105-I131 HydrophobicContact CG2-CG2 3.52Å; T105-D132 PolarHBondContact OG1-OD1 3.06Å; T105-D132 VanDerWaalsContact OG1-OD1 3.09Å |
| 106 | L | 87.5 | Confident | 87 | Confident | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.2 | -41.6 | -175 | -69.4 | 176.4 | 0 | 0 | 0 | 114.9 | Y60 I63 C64 T103 F108 Q109 S110 Y313 | Y60-L106 HydrophobicContact CD1-CD2 4.45Å; Y60-L106 HydrophobicContact CD2-CD2 4.21Å; Y60-L106 HydrophobicContact CG-CD2 4.15Å; I63-L106 HydrophobicContact CB-CD1 4.05Å; I63-L106 HydrophobicContact CG2-CD1 3.69Å; C64-L106 HydrophobicContact CB-CB 4.05Å; C64-L106 HydrophobicContact CB-CD1 4.01Å; T103-L106 HydrophobicContact CG2-CD1 4.26Å; T103-L106 PolarHBondContact O-N 3.4Å; L106-F108 VanDerWaalsContact C-N 3.28Å; L106-F108 PolarHBondContact O-N 3.39Å; L106-Q109 PolarHBondContact O-N 3.37Å; L106-S110 PolarHBondContact O-N 3.37Å; L106-S110 PolarHBondContact O-OG 2.91Å; L106-Y313 HydrophobicContact CD2-CD1 3.9Å; L106-Y313 HydrophobicContact CD2-CD2 3.67Å; L106-Y313 HydrophobicContact CD2-CE1 3.98Å; L106-Y313 HydrophobicContact CD2-CE2 3.75Å; L106-Y313 HydrophobicContact CD2-CG 3.75Å; L106-Y313 HydrophobicContact CG-CD1 4.4Å |
| 107 | P | 89.8 | Confident | 86.5 | Confident | 67 Ų | 67 | 34.3 Ų | 34.3 | 44% | 0.435 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -60.3 | -36.8 | 177 | -24.6 | 35.8 | 0 | 0 | 0 | 113.2 | S104 T105 S110 A111 | S104-P107 WeakPolarHBondContact O-CD 3.23Å; T105-P107 VanDerWaalsContact C-CD 3.48Å; P107-S110 PolarHBondContact O-N 3.36Å; P107-A111 WeakPolarHBondContact O-CB 3.32Å; P107-A111 PolarHBondContact O-N 2.9Å |
| 108 | F | 88 | Confident | 86.1 | Confident | 69 Ų | 69 | 31.7 Ų | 31.7 | 30% | 0.303 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -71.4 | -37.6 | 177.6 | -58.3 | -79.1 | 0 | 0 | 0 | 111.5 | T105 L106 A111 K112 W118 F120 L124 I128 | T105-F108 WeakPolarHBondContact O-CB 3.21Å; T105-F108 PolarHBondContact O-N 3.39Å; T105-F108 VanDerWaalsContact O-N 3.08Å; L106-F108 VanDerWaalsContact C-N 3.28Å; L106-F108 PolarHBondContact O-N 3.39Å; F108-A111 PolarHBondContact O-N 3.42Å; F108-K112 WeakPolarHBondContact O-CB 3.18Å; F108-K112 PolarHBondContact O-N 2.63Å; F108-W118 HydrophobicContact CB-CH2 4.29Å; F108-F120 HydrophobicContact CB-CD2 4.5Å; F108-F120 HydrophobicContact CB-CE2 4.22Å; F108-F120 HydrophobicContact CD1-CD1 4.01Å; F108-F120 HydrophobicContact CD1-CD2 4.17Å; F108-F120 AromaticContact CD1-CE1 3.88Å; F108-F120 HydrophobicContact CD1-CE1 3.88Å; F108-F120 HydrophobicContact CD1-CE2 4.05Å; F108-F120 HydrophobicContact CD1-CG 4.16Å; F108-F120 AromaticContact CD1-CZ 3.91Å; F108-F120 HydrophobicContact CD1-CZ 3.91Å; F108-F120 HydrophobicContact CE1-CD1 4.33Å; F108-F120 HydrophobicContact CE1-CE1 4.3Å; F108-L124 HydrophobicContact CD1-CD2 3.44Å; F108-L124 VanDerWaalsContact CD1-CD2 3.44Å; F108-L124 HydrophobicContact CE1-CD2 3.47Å; F108-L124 VanDerWaalsContact CE1-CD2 3.47Å; F108-L124 HydrophobicContact CG-CD2 4.05Å; F108-L124 HydrophobicContact CZ-CD2 4.1Å; F108-I128 HydrophobicContact CB-CD1 3.44Å; F108-I128 VanDerWaalsContact CB-CD1 3.44Å; F108-I128 HydrophobicContact CD1-CD1 4.43Å; F108-I128 HydrophobicContact CD2-CD1 3.75Å; F108-I128 HydrophobicContact CG-CD1 3.63Å |
| 109 | Q | 82.3 | Confident | 85.8 | Confident | 38 Ų | 38 | 34.7 Ų | 34.7 | 18% | 0.178 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -66 | -39.7 | 173.5 | -62.6 | -73.8 | 32.5 | 0 | 0 | 111.3 | Y60 T105 L106 K112 Y113 D132 | Y60-Q109 HydrophobicContact CE2-CB 4.38Å; T105-Q109 PolarHBondContact O-N 3.36Å; L106-Q109 PolarHBondContact O-N 3.37Å; Q109-K112 PolarHBondContact O-N 3.33Å; Q109-Y113 WeakPolarHBondContact O-CB 3.17Å; Q109-Y113 PolarHBondContact O-N 3.44Å; Q109-D132 PolarHBondContact NE2-OD2 3.04Å; Q109-D132 VanDerWaalsContact NE2-OD2 3.11Å |
| 110 | S | 82.4 | Confident | 85.7 | Confident | 7 Ų | 7 | 38.1 Ų | 38.1 | 5% | 0.049 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -62.2 | -44.8 | 172.1 | -67.6 | 0 | 0 | 0 | 0 | 112 | Y60 L106 P107 Y113 L114 | Y60-S110 WeakPolarHBondContact CB-OG 3.33Å; L106-S110 PolarHBondContact O-N 3.37Å; L106-S110 PolarHBondContact O-OG 2.91Å; P107-S110 PolarHBondContact O-N 3.36Å; S110-Y113 PolarHBondContact O-N 2.9Å; S110-L114 WeakPolarHBondContact O-CG 3.26Å; S110-L114 PolarHBondContact O-N 2.95Å |
| 111 | A | 83.8 | Confident | 85.6 | Confident | 24 Ų | 24 | 39.4 Ų | 39.4 | 20% | 0.198 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65 | -42.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | P107 F108 Y113 L114 M115 F120 | P107-A111 WeakPolarHBondContact O-CB 3.32Å; P107-A111 PolarHBondContact O-N 2.9Å; F108-A111 PolarHBondContact O-N 3.42Å; A111-Y113 PolarHBondContact O-N 3.34Å; A111-L114 PolarHBondContact O-N 3.32Å; A111-M115 WeakPolarHBondContact O-CB 3.15Å; A111-M115 WeakPolarHBondContact O-CG 3.33Å; A111-M115 PolarHBondContact O-N 3.16Å; A111-F120 HydrophobicContact CB-CE2 3.88Å; A111-F120 HydrophobicContact CB-CZ 3.56Å |
| 112 | K | 81.3 | Confident | 85.5 | Confident | 40 Ų | 40 | 40.7 Ų | 40.7 | 17% | 0.174 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -53.2 | -46.2 | 171.1 | 174.8 | -171.6 | 173.4 | 178.7 | 0 | 110.9 | F108 Q109 N116 T117 W118 | F108-K112 WeakPolarHBondContact O-CB 3.18Å; F108-K112 PolarHBondContact O-N 2.63Å; Q109-K112 PolarHBondContact O-N 3.33Å; K112-N116 PolarHBondContact O-N 3.01Å; K112-N116 VanDerWaalsContact O-N 3.07Å; K112-T117 WeakPolarHBondContact CA-O 3.47Å; K112-W118 HydrophobicContact CB-CE3 3.91Å; K112-W118 HydrophobicContact CB-CZ3 4.09Å; K112-W118 HydrophobicContact CD-CE3 3.88Å; K112-W118 HydrophobicContact CD-CZ3 4.14Å; K112-W118 HydrophobicContact CG-CE3 4Å; K112-W118 HydrophobicContact CG-CZ3 4.49Å |
| 113 | Y | 75.8 | Confident | 85.7 | Confident | 20 Ų | 20 | 44.6 Ų | 44.6 | 8% | 0.078 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -67.7 | -42.8 | 178.8 | -167.3 | -83.6 | 0 | 0 | 0 | 111.9 | R45 A53 I56 Q109 S110 A111 H306 | R45-Y113 PolarHBondContact NH1-O 2.98Å; R45-Y113 VanDerWaalsContact NH1-O 3.12Å; R45-Y113 PolarHBondContact NH2-O 2.92Å; A53-Y113 HydrophobicContact CB-CD1 3.87Å; A53-Y113 HydrophobicContact CB-CE1 3.32Å; I56-Y113 HydrophobicContact CD1-CE1 4.4Å; I56-Y113 HydrophobicContact CD1-CE2 4.21Å; Q109-Y113 WeakPolarHBondContact O-CB 3.17Å; Q109-Y113 PolarHBondContact O-N 3.44Å; S110-Y113 PolarHBondContact O-N 2.9Å; A111-Y113 PolarHBondContact O-N 3.34Å; Y113-H306 AromaticContact CD2-CE1 3.68Å; Y113-H306 AromaticContact CD2-NE2 3.81Å; Y113-H306 AromaticContact CE2-CD2 3.88Å; Y113-H306 AromaticContact CE2-CE1 3.69Å; Y113-H306 AromaticContact CE2-NE2 3.35Å; Y113-H306 VanDerWaalsContact CE2-NE2 3.35Å; Y113-H306 WeakPolarHBondContact CE2-NE2 3.33Å |
| 114 | L | 79.5 | Confident | 85.7 | Confident | 82 Ų | 82 | 46.6 Ų | 46.6 | 43% | 0.429 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -67.4 | -41.8 | 179.6 | -72.3 | 174.1 | 0 | 0 | 0 | 112.6 | R45 A53 T57 S110 A111 | R45-L114 PolarHBondContact NH1-O 3.43Å; R45-L114 VanDerWaalsContact NH1-O 3.07Å; A53-L114 HydrophobicContact CB-CD2 4.44Å; T57-L114 HydrophobicContact CG2-CD1 3.94Å; T57-L114 HydrophobicContact CG2-CG 4.44Å; S110-L114 WeakPolarHBondContact O-CG 3.26Å; S110-L114 PolarHBondContact O-N 2.95Å; A111-L114 PolarHBondContact O-N 3.32Å |
| 115 | M | 79.1 | Confident | 85.6 | Confident | 109 Ų | 109 | 44.3 Ų | 44.3 | 54% | 0.537 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -85.2 | -8.6 | -175.1 | -62 | -177.8 | 67.9 | 0 | 0 | 113.7 | A111 T117 P119 | A111-M115 WeakPolarHBondContact O-CB 3.15Å; A111-M115 WeakPolarHBondContact O-CG 3.33Å; A111-M115 PolarHBondContact O-N 3.16Å; M115-T117 HydrophobicContact CB-CG2 4.05Å; M115-T117 PolarHBondContact O-N 3.43Å; M115-P119 HydrophobicContact CE-CB 4.26Å; M115-P119 HydrophobicContact CE-CG 4.2Å; M115-P119 HydrophobicContact SD-CG 3.86Å |
| 116 | N | 75.8 | Confident | 85.7 | Confident | 51 Ų | 51 | 46.7 Ų | 46.7 | 27% | 0.273 | 26% | 0.262 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 26.2 | -173.4 | -162.4 | 9.6 | 0 | 0 | 0 | 113.1 | E30 K112 N200 | E30-N116 VanDerWaalsContact CB-OD1 3.24Å; E30-N116 WeakPolarHBondContact CB-OD1 3.28Å; E30-N116 VanDerWaalsContact OE2-CG 3.24Å; E30-N116 PolarHBondContact OE2-OD1 2.8Å; K112-N116 PolarHBondContact O-N 3.01Å; K112-N116 VanDerWaalsContact O-N 3.07Å; N116-N200 PolarHBondContact O-ND2 3.33Å |
| 117 | T | 81 | Confident | 85.9 | Confident | 28 Ų | 28 | 50.9 Ų | 50.9 | 17% | 0.172 | 28% | 0.284 | C | S | . | . | S | Bend | trans | -158.1 | 162.2 | 179.9 | -165.8 | 0 | 0 | 0 | 0 | 110.3 | K112 M115 P119 I201 | K112-T117 WeakPolarHBondContact CA-O 3.47Å; M115-T117 HydrophobicContact CB-CG2 4.05Å; M115-T117 PolarHBondContact O-N 3.43Å; T117-P119 WeakPolarHBondContact O-CD 3.3Å; T117-I201 CarbonylContact C-O 3.09Å; T117-I201 WeakPolarHBondContact CA-O 3.43Å; T117-I201 PolarHBondContact OG1-N 2.95Å; T117-I201 PolarHBondContact OG1-O 3.09Å; T117-I201 VanDerWaalsContact OG1-O 3.06Å |
| 118 | W | 85.4 | Confident | 85.8 | Confident | 2 Ų | 2 | 47.9 Ų | 47.9 | 1% | 0.008 | 27% | 0.265 | C | S | . | . | trans | -101.6 | 95.4 | 176.7 | -175.9 | -97 | 0 | 0 | 0 | 111.2 | F108 K112 F120 G121 L124 C125 I128 T193 I201 C203 | F108-W118 HydrophobicContact CB-CH2 4.29Å; K112-W118 HydrophobicContact CB-CE3 3.91Å; K112-W118 HydrophobicContact CB-CZ3 4.09Å; K112-W118 HydrophobicContact CD-CE3 3.88Å; K112-W118 HydrophobicContact CD-CZ3 4.14Å; K112-W118 HydrophobicContact CG-CE3 4Å; K112-W118 HydrophobicContact CG-CZ3 4.49Å; W118-F120 HydrophobicContact CD2-CD2 4.08Å; W118-F120 AromaticContact CE2-CD2 3.98Å; W118-F120 HydrophobicContact CE3-CD2 4.01Å; W118-F120 AromaticContact CH2-CD2 3.84Å; W118-F120 HydrophobicContact CH2-CD2 3.84Å; W118-F120 HydrophobicContact CZ2-CB 3.82Å; W118-F120 AromaticContact CZ2-CD2 3.88Å; W118-F120 HydrophobicContact CZ2-CD2 3.88Å; W118-F120 HydrophobicContact CZ2-CG 4.3Å; W118-F120 AromaticContact CZ3-CD2 3.9Å; W118-F120 HydrophobicContact CZ3-CD2 3.9Å; W118-F120 HydrophobicContact CZ3-CE2 4.41Å; W118-G121 PolarHBondContact NE1-O 3.44Å; W118-L124 HydrophobicContact CZ2-CB 4.16Å; W118-L124 HydrophobicContact CZ2-CD2 4.34Å; W118-L124 HydrophobicContact CZ2-CG 4.3Å; W118-C125 HydrophobicContact CZ2-CB 4.09Å; W118-I128 HydrophobicContact CH2-CD1 3.56Å; W118-I128 HydrophobicContact CZ2-CD1 4.17Å; W118-T193 HydrophobicContact CG-CG2 4.47Å; W118-I201 HydrophobicContact CB-CG2 4.21Å; W118-I201 WeakPolarHBondContact CB-O 3.22Å; W118-I201 PolarHBondContact N-O 3.47Å; W118-C203 HydrophobicContact CB-CB 4.29Å; W118-C203 HydrophobicContact CD2-CB 3.78Å; W118-C203 HydrophobicContact CE3-CB 4.11Å; W118-C203 HydrophobicContact CG-CB 3.85Å | ||
| 119 | P | 88.3 | Confident | 85.8 | Confident | 65 Ų | 65 | 45.2 Ų | 45.2 | 42% | 0.422 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -84 | -8.8 | -176.6 | 35.1 | -39.1 | 0 | 0 | 0 | 113.8 | M115 T117 G121 | M115-P119 HydrophobicContact CE-CB 4.26Å; M115-P119 HydrophobicContact CE-CG 4.2Å; M115-P119 HydrophobicContact SD-CG 3.86Å; T117-P119 WeakPolarHBondContact O-CD 3.3Å; P119-G121 VanDerWaalsContact C-N 3.35Å; P119-G121 PolarHBondContact O-N 3.16Å |
| 120 | F | 90.1 | Very high | 86.2 | Confident | 73 Ų | 73 | 43.6 Ų | 43.6 | 32% | 0.32 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 5.7 | -165.4 | -51.5 | -72.3 | 0 | 0 | 0 | 115.1 | F108 A111 W118 L124 | F108-F120 HydrophobicContact CB-CD2 4.5Å; F108-F120 HydrophobicContact CB-CE2 4.22Å; F108-F120 HydrophobicContact CD1-CD1 4.01Å; F108-F120 HydrophobicContact CD1-CD2 4.17Å; F108-F120 AromaticContact CD1-CE1 3.88Å; F108-F120 HydrophobicContact CD1-CE1 3.88Å; F108-F120 HydrophobicContact CD1-CE2 4.05Å; F108-F120 HydrophobicContact CD1-CG 4.16Å; F108-F120 AromaticContact CD1-CZ 3.91Å; F108-F120 HydrophobicContact CD1-CZ 3.91Å; F108-F120 HydrophobicContact CE1-CD1 4.33Å; F108-F120 HydrophobicContact CE1-CE1 4.3Å; A111-F120 HydrophobicContact CB-CE2 3.88Å; A111-F120 HydrophobicContact CB-CZ 3.56Å; W118-F120 HydrophobicContact CD2-CD2 4.08Å; W118-F120 AromaticContact CE2-CD2 3.98Å; W118-F120 HydrophobicContact CE3-CD2 4.01Å; W118-F120 AromaticContact CH2-CD2 3.84Å; W118-F120 HydrophobicContact CH2-CD2 3.84Å; W118-F120 HydrophobicContact CZ2-CB 3.82Å; W118-F120 AromaticContact CZ2-CD2 3.88Å; W118-F120 HydrophobicContact CZ2-CD2 3.88Å; W118-F120 HydrophobicContact CZ2-CG 4.3Å; W118-F120 AromaticContact CZ3-CD2 3.9Å; W118-F120 HydrophobicContact CZ3-CD2 3.9Å; W118-F120 HydrophobicContact CZ3-CE2 4.41Å; F120-L124 HydrophobicContact CB-CB 4.01Å; F120-L124 HydrophobicContact CB-CD2 3.42Å; F120-L124 VanDerWaalsContact CB-CD2 3.42Å; F120-L124 HydrophobicContact CB-CG 4.3Å; F120-L124 HydrophobicContact CD1-CD2 4.19Å; F120-L124 HydrophobicContact CD2-CD2 4.42Å; F120-L124 HydrophobicContact CG-CD2 3.78Å |
| 121 | G | 91.6 | Very high | 86.6 | Confident | 37 Ų | 37 | 44.5 Ų | 44.5 | 38% | 0.381 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | 73.6 | 173.9 | 179.2 | 0 | 0 | 0 | 0 | 0 | 114.9 | W118 P119 C125 | W118-G121 PolarHBondContact NE1-O 3.44Å; P119-G121 VanDerWaalsContact C-N 3.35Å; P119-G121 PolarHBondContact O-N 3.16Å; G121-C125 PolarHBondContact O-N 2.64Å |
| 122 | Q | 91.1 | Very high | 86.7 | Confident | 94 Ų | 94 | 44.9 Ų | 44.9 | 44% | 0.439 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -70 | -36.3 | -169.9 | -167.8 | 177.4 | 8.6 | 0 | 0 | 113.7 | L124 C125 K126 T193 | Q122-L124 PolarHBondContact O-N 3.46Å; Q122-C125 WeakPolarHBondContact O-CB 3.15Å; Q122-C125 PolarHBondContact O-N 3.2Å; Q122-K126 WeakPolarHBondContact O-CG 3.33Å; Q122-K126 PolarHBondContact O-N 3.44Å; Q122-T193 HydrophobicContact CB-CG2 4.33Å |
| 123 | A | 93.5 | Very high | 87.1 | Confident | 81 Ų | 81 | 45.4 Ų | 45.4 | 67% | 0.669 | 25% | 0.25 | S | S | * | . | H | α-helix | trans | -61.3 | -45.9 | -178.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K126 L127 | A123-K126 PolarHBondContact O-N 3.31Å; A123-L127 WeakPolarHBondContact O-CB 3.44Å; A123-L127 PolarHBondContact O-N 2.84Å |
| 124 | L | 90.9 | Very high | 87.8 | Confident | 42 Ų | 42 | 46.5 Ų | 46.5 | 22% | 0.22 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -71.1 | -33.1 | 179 | -160.5 | 72.3 | 0 | 0 | 0 | 112 | F108 W118 F120 Q122 L127 I128 | F108-L124 HydrophobicContact CD1-CD2 3.44Å; F108-L124 VanDerWaalsContact CD1-CD2 3.44Å; F108-L124 HydrophobicContact CE1-CD2 3.47Å; F108-L124 VanDerWaalsContact CE1-CD2 3.47Å; F108-L124 HydrophobicContact CG-CD2 4.05Å; F108-L124 HydrophobicContact CZ-CD2 4.1Å; W118-L124 HydrophobicContact CZ2-CB 4.16Å; W118-L124 HydrophobicContact CZ2-CD2 4.34Å; W118-L124 HydrophobicContact CZ2-CG 4.3Å; F120-L124 HydrophobicContact CB-CB 4.01Å; F120-L124 HydrophobicContact CB-CD2 3.42Å; F120-L124 VanDerWaalsContact CB-CD2 3.42Å; F120-L124 HydrophobicContact CB-CG 4.3Å; F120-L124 HydrophobicContact CD1-CD2 4.19Å; F120-L124 HydrophobicContact CD2-CD2 4.42Å; F120-L124 HydrophobicContact CG-CD2 3.78Å; Q122-L124 PolarHBondContact O-N 3.46Å; L124-L127 HydrophobicContact CD1-CD2 4.2Å; L124-L127 PolarHBondContact O-N 3.5Å; L124-I128 HydrophobicContact CD1-CD1 4.41Å; L124-I128 HydrophobicContact CD2-CD1 3.97Å; L124-I128 HydrophobicContact CG-CD1 3.76Å; L124-I128 HydrophobicContact CG-CG1 4.38Å; L124-I128 WeakPolarHBondContact O-CB 3.33Å; L124-I128 PolarHBondContact O-N 3.15Å |
| 125 | C | 90.1 | Very high | 88.3 | Confident | 0 Ų | 0 | 43 Ų | 43 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -58.2 | -50.5 | 172.4 | 170.5 | 0 | 0 | 0 | 0 | 111.4 | W118 G121 Q122 L127 I128 I129 T193 C203 | W118-C125 HydrophobicContact CZ2-CB 4.09Å; G121-C125 PolarHBondContact O-N 2.64Å; Q122-C125 WeakPolarHBondContact O-CB 3.15Å; Q122-C125 PolarHBondContact O-N 3.2Å; C125-L127 VanDerWaalsContact C-N 3.34Å; C125-L127 PolarHBondContact O-N 3.48Å; C125-I128 PolarHBondContact O-N 3.24Å; C125-I129 WeakPolarHBondContact O-CG1 3.45Å; C125-I129 PolarHBondContact O-N 3.49Å; C125-I129 VanDerWaalsContact O-N 3.08Å; C125-T193 HydrophobicContact CB-CG2 3.71Å; C125-C203 WeakPolarHBondContact CA-SG 3.37Å; C125-C203 HydrophobicContact CB-CB 3.8Å; C125-C203 WeakPolarHBondContact CB-SG 3.46Å; C125-C203 WeakPolarHBondContact SG-CA 3.19Å; C125-C203 WeakPolarHBondContact SG-CB 3.48Å; C125-C203 CovalentContact SG-SG 2.02Å; C125-C203 PolarHBondContact SG-SG 3.35Å |
| 126 | K | 91.5 | Very high | 88.6 | Confident | 51 Ų | 51 | 38.8 Ų | 38.8 | 22% | 0.222 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -58.7 | -45.4 | 176.5 | -73.4 | -179.3 | 168.6 | -63.3 | 0 | 111.8 | Q122 A123 A130 M188 V189 A191 | Q122-K126 WeakPolarHBondContact O-CG 3.33Å; Q122-K126 PolarHBondContact O-N 3.44Å; A123-K126 PolarHBondContact O-N 3.31Å; K126-A130 WeakPolarHBondContact O-CB 3.37Å; K126-A130 PolarHBondContact O-N 3.43Å; K126-M188 HydrophobicContact CB-CG 4.19Å; K126-M188 WeakPolarHBondContact CG-O 3.37Å; K126-M188 PolarHBondContact NZ-O 2.96Å; K126-V189 PolarHBondContact NZ-O 2.91Å; K126-A191 HydrophobicContact CB-CB 4.35Å; K126-A191 VanDerWaalsContact CE-O 3.26Å; K126-A191 WeakPolarHBondContact CE-O 3.4Å; K126-A191 HydrophobicContact CG-CB 3.94Å; K126-A191 VanDerWaalsContact CG-O 3.25Å; K126-A191 WeakPolarHBondContact CG-O 3.44Å; K126-A191 PolarHBondContact NZ-O 3.19Å |
| 127 | L | 91.5 | Very high | 89.3 | Confident | 89 Ų | 89 | 36.3 Ų | 36.3 | 47% | 0.466 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -64.5 | -46.9 | -178.8 | -178.5 | 62.6 | 0 | 0 | 0 | 112.2 | A123 L124 C125 A130 I131 | A123-L127 WeakPolarHBondContact O-CB 3.44Å; A123-L127 PolarHBondContact O-N 2.84Å; L124-L127 HydrophobicContact CD1-CD2 4.2Å; L124-L127 PolarHBondContact O-N 3.5Å; C125-L127 VanDerWaalsContact C-N 3.34Å; C125-L127 PolarHBondContact O-N 3.48Å; L127-A130 PolarHBondContact O-N 3.33Å; L127-I131 HydrophobicContact CD1-CD1 3.93Å; L127-I131 HydrophobicContact CD1-CG1 4.23Å; L127-I131 HydrophobicContact CD2-CD1 4.47Å; L127-I131 HydrophobicContact CG-CD1 3.79Å; L127-I131 HydrophobicContact CG-CG1 4.46Å; L127-I131 WeakPolarHBondContact O-CB 3.48Å; L127-I131 VanDerWaalsContact O-CG1 3.26Å; L127-I131 WeakPolarHBondContact O-CG1 3.3Å; L127-I131 PolarHBondContact O-N 2.93Å |
| 128 | I | 89.7 | Confident | 89.8 | Confident | 4 Ų | 4 | 35 Ų | 35 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -67.4 | -46.3 | -177.5 | -76.7 | 167.5 | 0 | 0 | 0 | 111.2 | T105 F108 W118 L124 C125 A130 I131 D132 | T105-I128 HydrophobicContact CG2-CB 4.46Å; T105-I128 HydrophobicContact CG2-CG1 4Å; T105-I128 HydrophobicContact CG2-CG2 4.29Å; F108-I128 HydrophobicContact CB-CD1 3.44Å; F108-I128 VanDerWaalsContact CB-CD1 3.44Å; F108-I128 HydrophobicContact CD1-CD1 4.43Å; F108-I128 HydrophobicContact CD2-CD1 3.75Å; F108-I128 HydrophobicContact CG-CD1 3.63Å; W118-I128 HydrophobicContact CH2-CD1 3.56Å; W118-I128 HydrophobicContact CZ2-CD1 4.17Å; L124-I128 HydrophobicContact CD1-CD1 4.41Å; L124-I128 HydrophobicContact CD2-CD1 3.97Å; L124-I128 HydrophobicContact CG-CD1 3.76Å; L124-I128 HydrophobicContact CG-CG1 4.38Å; L124-I128 WeakPolarHBondContact O-CB 3.33Å; L124-I128 PolarHBondContact O-N 3.15Å; C125-I128 PolarHBondContact O-N 3.24Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 2.96Å; I128-I131 PolarHBondContact O-N 3.38Å; I128-D132 PolarHBondContact O-N 3.05Å |
| 129 | I | 87.9 | Confident | 90 | Very high | 12 Ų | 12 | 35 Ų | 35 | 6% | 0.062 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -42.6 | 175.4 | -69.2 | -178.5 | 0 | 0 | 0 | 110.2 | C125 D132 Y133 I187 A191 C203 L205 | C125-I129 WeakPolarHBondContact O-CG1 3.45Å; C125-I129 PolarHBondContact O-N 3.49Å; C125-I129 VanDerWaalsContact O-N 3.08Å; I129-D132 PolarHBondContact O-N 3.48Å; I129-Y133 HydrophobicContact CG2-CD2 4.19Å; I129-Y133 HydrophobicContact CG2-CE2 4.22Å; I129-Y133 WeakPolarHBondContact O-CD2 3.21Å; I129-Y133 PolarHBondContact O-N 2.79Å; I129-I187 HydrophobicContact CG2-CG2 3.56Å; I129-A191 HydrophobicContact CB-CB 4.17Å; I129-A191 HydrophobicContact CD1-CB 3.93Å; I129-A191 HydrophobicContact CG2-CB 4.21Å; I129-C203 WeakPolarHBondContact CD1-SG 3.22Å; I129-L205 HydrophobicContact CG2-CD2 3.9Å; I129-L205 HydrophobicContact CG2-CG 4.38Å |
| 130 | A | 89.3 | Confident | 90 | Very high | 4 Ų | 4 | 32 Ų | 32 | 3% | 0.033 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.9 | -49.1 | 176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | K126 L127 I128 D132 Y133 Y134 M188 | K126-A130 WeakPolarHBondContact O-CB 3.37Å; K126-A130 PolarHBondContact O-N 3.43Å; L127-A130 PolarHBondContact O-N 3.33Å; I128-A130 VanDerWaalsContact C-N 3.27Å; I128-A130 PolarHBondContact O-N 2.96Å; A130-D132 VanDerWaalsContact C-N 3.31Å; A130-D132 PolarHBondContact O-N 3.42Å; A130-Y133 PolarHBondContact O-N 3.12Å; A130-Y134 HydrophobicContact CB-CD2 4.35Å; A130-Y134 WeakPolarHBondContact O-CB 3.27Å; A130-Y134 WeakPolarHBondContact O-CD2 3.44Å; A130-Y134 PolarHBondContact O-N 3.46Å; A130-M188 HydrophobicContact CB-CB 3.86Å; A130-M188 HydrophobicContact CB-CG 4.02Å; A130-M188 HydrophobicContact CB-SD 4.43Å |
| 131 | I | 90.5 | Very high | 90.1 | Very high | 26 Ų | 26 | 30.1 Ų | 30.1 | 13% | 0.133 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -57.4 | -43.7 | 179.5 | -72.3 | 167.7 | 0 | 0 | 0 | 111.3 | L101 T105 L127 I128 Y133 Y134 N135 | L101-I131 HydrophobicContact CB-CG2 3.95Å; T105-I131 HydrophobicContact CG2-CB 3.92Å; T105-I131 HydrophobicContact CG2-CD1 4.07Å; T105-I131 HydrophobicContact CG2-CG2 3.52Å; L127-I131 HydrophobicContact CD1-CD1 3.93Å; L127-I131 HydrophobicContact CD1-CG1 4.23Å; L127-I131 HydrophobicContact CD2-CD1 4.47Å; L127-I131 HydrophobicContact CG-CD1 3.79Å; L127-I131 HydrophobicContact CG-CG1 4.46Å; L127-I131 WeakPolarHBondContact O-CB 3.48Å; L127-I131 VanDerWaalsContact O-CG1 3.26Å; L127-I131 WeakPolarHBondContact O-CG1 3.3Å; L127-I131 PolarHBondContact O-N 2.93Å; I128-I131 PolarHBondContact O-N 3.38Å; I131-Y133 PolarHBondContact O-N 3.48Å; I131-Y134 PolarHBondContact O-N 2.81Å; I131-N135 WeakPolarHBondContact O-CB 3.44Å; I131-N135 PolarHBondContact O-N 2.86Å |
| 132 | D | 87.6 | Confident | 90 | Very high | 32 Ų | 32 | 28.4 Ų | 28.4 | 17% | 0.171 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -61.6 | -43.9 | -179.9 | -70.2 | -5.2 | 0 | 0 | 0 | 111 | T105 Q109 I128 I129 A130 M136 Y313 | T105-D132 PolarHBondContact OG1-OD1 3.06Å; T105-D132 VanDerWaalsContact OG1-OD1 3.09Å; Q109-D132 PolarHBondContact NE2-OD2 3.04Å; Q109-D132 VanDerWaalsContact NE2-OD2 3.11Å; I128-D132 PolarHBondContact O-N 3.05Å; I129-D132 PolarHBondContact O-N 3.48Å; A130-D132 VanDerWaalsContact C-N 3.31Å; A130-D132 PolarHBondContact O-N 3.42Å; D132-M136 PolarHBondContact O-N 2.93Å; D132-M136 VanDerWaalsContact O-N 3.08Å; D132-Y313 PolarHBondContact OD1-OH 2.93Å; D132-Y313 VanDerWaalsContact OD1-OH 3.1Å; D132-Y313 PolarHBondContact OD2-OH 3.49Å; D132-Y313 VanDerWaalsContact OD2-OH 3.08Å |
| 133 | Y | 88.5 | Confident | 89.8 | Confident | 52 Ų | 52 | 24.4 Ų | 24.4 | 20% | 0.204 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -69.1 | -41.3 | 175.6 | -85.8 | -104.4 | 0 | 0 | 0 | 112.6 | I129 A130 I131 M136 F137 I187 L205 V222 | I129-Y133 HydrophobicContact CG2-CD2 4.19Å; I129-Y133 HydrophobicContact CG2-CE2 4.22Å; I129-Y133 WeakPolarHBondContact O-CD2 3.21Å; I129-Y133 PolarHBondContact O-N 2.79Å; A130-Y133 PolarHBondContact O-N 3.12Å; I131-Y133 PolarHBondContact O-N 3.48Å; Y133-M136 HydrophobicContact CD1-CE 4.39Å; Y133-M136 PolarHBondContact O-N 2.7Å; Y133-F137 HydrophobicContact CD1-CE2 4.23Å; Y133-F137 VanDerWaalsContact O-CD2 3.25Å; Y133-F137 WeakPolarHBondContact O-CD2 3.5Å; Y133-F137 PolarHBondContact O-N 3.43Å; Y133-F137 VanDerWaalsContact O-N 3.15Å; Y133-I187 HydrophobicContact CD1-CD1 4.01Å; Y133-I187 HydrophobicContact CD1-CG1 3.79Å; Y133-I187 HydrophobicContact CD1-CG2 4.22Å; Y133-I187 HydrophobicContact CD2-CG2 3.63Å; Y133-I187 HydrophobicContact CE1-CD1 3.59Å; Y133-I187 HydrophobicContact CE1-CG1 3.92Å; Y133-I187 HydrophobicContact CE2-CD1 4.34Å; Y133-I187 HydrophobicContact CE2-CG2 3.98Å; Y133-I187 HydrophobicContact CG-CB 4.42Å; Y133-I187 HydrophobicContact CG-CG1 4.17Å; Y133-I187 HydrophobicContact CG-CG2 3.75Å; Y133-L205 HydrophobicContact CE2-CD1 4.26Å; Y133-V222 HydrophobicContact CE1-CG2 4.26Å |
| 134 | Y | 90.1 | Very high | 89.6 | Confident | 43 Ų | 43 | 21.4 Ų | 21.4 | 17% | 0.169 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.3 | -48 | 175.1 | -92.1 | -73.6 | 0 | 0 | 0 | 111 | A130 I131 M136 F137 T138 W177 S181 | A130-Y134 HydrophobicContact CB-CD2 4.35Å; A130-Y134 WeakPolarHBondContact O-CB 3.27Å; A130-Y134 WeakPolarHBondContact O-CD2 3.44Å; A130-Y134 PolarHBondContact O-N 3.46Å; I131-Y134 PolarHBondContact O-N 2.81Å; Y134-M136 PolarHBondContact O-N 3.13Å; Y134-F137 PolarHBondContact O-N 3.49Å; Y134-T138 HydrophobicContact CD1-CG2 4.42Å; Y134-T138 VanDerWaalsContact O-CB 3.26Å; Y134-T138 WeakPolarHBondContact O-CB 3.48Å; Y134-T138 WeakPolarHBondContact O-CG2 3.16Å; Y134-T138 PolarHBondContact O-N 3.34Å; Y134-T138 PolarHBondContact O-OG1 3.46Å; Y134-W177 AromaticContact CD1-CE3 3.97Å; Y134-W177 HydrophobicContact CD1-CE3 3.97Å; Y134-W177 AromaticContact CD1-CZ3 3.87Å; Y134-W177 HydrophobicContact CD1-CZ3 3.87Å; Y134-W177 HydrophobicContact CE1-CE3 4.16Å; Y134-W177 HydrophobicContact CE1-CZ3 4.38Å; Y134-W177 HydrophobicContact CG-CZ3 4.42Å; Y134-S181 VanDerWaalsContact CE1-OG 3.28Å; Y134-S181 WeakPolarHBondContact CE1-OG 3.11Å; Y134-S181 VanDerWaalsContact OH-CA 3.3Å; Y134-S181 WeakPolarHBondContact OH-CA 3.46Å; Y134-S181 VanDerWaalsContact OH-CB 3.24Å; Y134-S181 WeakPolarHBondContact OH-CB 3.43Å; Y134-S181 PolarHBondContact OH-OG 3.45Å |
| 135 | N | 89.9 | Confident | 89.6 | Confident | 8 Ų | 8 | 20.8 Ų | 20.8 | 4% | 0.043 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -56.8 | -50.3 | 176.4 | 176.7 | -87.7 | 0 | 0 | 0 | 111 | A98 D99 A102 I131 F137 T138 S139 | A98-N135 PolarHBondContact O-ND2 3.44Å; D99-N135 WeakPolarHBondContact CA-ND2 3.47Å; D99-N135 PolarHBondContact N-ND2 3.28Å; D99-N135 PolarHBondContact OD1-ND2 2.97Å; D99-N135 VanDerWaalsContact OD1-ND2 3.12Å; A102-N135 HydrophobicContact CB-CB 3.64Å; A102-N135 VanDerWaalsContact CB-CG 3.41Å; A102-N135 VanDerWaalsContact CB-ND2 3.34Å; A102-N135 WeakPolarHBondContact CB-ND2 3.42Å; I131-N135 WeakPolarHBondContact O-CB 3.44Å; I131-N135 PolarHBondContact O-N 2.86Å; N135-F137 VanDerWaalsContact C-N 3.35Å; N135-F137 PolarHBondContact O-N 2.89Å; N135-T138 PolarHBondContact O-N 3.38Å; N135-T138 PolarHBondContact O-OG1 2.91Å; N135-S139 PolarHBondContact ND2-OG 3.39Å; N135-S139 WeakPolarHBondContact O-CB 3.27Å; N135-S139 PolarHBondContact O-N 3.3Å; N135-S139 PolarHBondContact O-OG 3.34Å; N135-S139 VanDerWaalsContact O-OG 3.07Å |
| 136 | M | 86.8 | Confident | 89.4 | Confident | 20 Ų | 20 | 22 Ų | 22 | 10% | 0.099 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -51.6 | -52 | 179.7 | -179.1 | 176.4 | 78.6 | 0 | 0 | 112.2 | D132 Y133 Y134 I140 V222 A226 W279 | D132-M136 PolarHBondContact O-N 2.93Å; D132-M136 VanDerWaalsContact O-N 3.08Å; Y133-M136 HydrophobicContact CD1-CE 4.39Å; Y133-M136 PolarHBondContact O-N 2.7Å; Y134-M136 PolarHBondContact O-N 3.13Å; M136-I140 WeakPolarHBondContact O-CG2 3.36Å; M136-I140 PolarHBondContact O-N 2.94Å; M136-V222 HydrophobicContact CE-CB 4.12Å; M136-V222 HydrophobicContact CE-CG1 3.36Å; M136-V222 HydrophobicContact CE-CG2 3.74Å; M136-V222 HydrophobicContact SD-CG1 3.79Å; M136-A226 HydrophobicContact CE-CB 3.9Å; M136-A226 HydrophobicContact CG-CB 3.98Å; M136-A226 HydrophobicContact SD-CB 4.06Å; M136-W279 HydrophobicContact CB-CH2 3.86Å; M136-W279 HydrophobicContact CB-CZ3 4.22Å; M136-W279 HydrophobicContact CG-CH2 3.68Å; M136-W279 HydrophobicContact CG-CZ3 3.59Å; M136-W279 HydrophobicContact SD-CZ3 4.01Å |
| 137 | F | 90.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -75 | -46.1 | -177.8 | -73.9 | -70.1 | 0 | 0 | 0 | 113.6 | Y133 Y134 N135 S139 I140 F141 S180 I183 V222 F225 A226 | Y133-F137 HydrophobicContact CD1-CE2 4.23Å; Y133-F137 VanDerWaalsContact O-CD2 3.25Å; Y133-F137 WeakPolarHBondContact O-CD2 3.5Å; Y133-F137 PolarHBondContact O-N 3.43Å; Y133-F137 VanDerWaalsContact O-N 3.15Å; Y134-F137 PolarHBondContact O-N 3.49Å; N135-F137 VanDerWaalsContact C-N 3.35Å; N135-F137 PolarHBondContact O-N 2.89Å; F137-S139 PolarHBondContact O-N 2.99Å; F137-I140 WeakPolarHBondContact O-CG2 3.39Å; F137-I140 PolarHBondContact O-N 3.43Å; F137-F141 HydrophobicContact CB-CD2 4.28Å; F137-F141 HydrophobicContact CB-CE2 3.93Å; F137-F141 AromaticContact CD1-CE2 3.95Å; F137-F141 HydrophobicContact CD1-CE2 3.95Å; F137-F141 AromaticContact CD1-CZ 3.73Å; F137-F141 HydrophobicContact CD1-CZ 3.73Å; F137-F141 HydrophobicContact CG-CE2 4.35Å; F137-F141 WeakPolarHBondContact O-CB 3.39Å; F137-F141 WeakPolarHBondContact O-CD2 3.43Å; F137-F141 WeakPolarHBondContact O-CG 3.47Å; F137-F141 PolarHBondContact O-N 3.01Å; F137-S180 WeakPolarHBondContact CB-OG 3.42Å; F137-I183 HydrophobicContact CD1-CD1 4.1Å; F137-I183 HydrophobicContact CD2-CB 4.34Å; F137-I183 HydrophobicContact CD2-CD1 4.28Å; F137-I183 HydrophobicContact CD2-CG2 4.35Å; F137-I183 HydrophobicContact CE1-CD1 3.51Å; F137-I183 HydrophobicContact CE2-CB 3.92Å; F137-I183 HydrophobicContact CE2-CD1 3.73Å; F137-I183 HydrophobicContact CE2-CG1 4.43Å; F137-I183 HydrophobicContact CE2-CG2 3.53Å; F137-I183 HydrophobicContact CG-CD1 4.46Å; F137-I183 HydrophobicContact CZ-CB 4.36Å; F137-I183 HydrophobicContact CZ-CD1 3.3Å; F137-I183 HydrophobicContact CZ-CG1 4.4Å; F137-I183 HydrophobicContact CZ-CG2 3.96Å; F137-V222 HydrophobicContact CE2-CG2 4.44Å; F137-V222 HydrophobicContact CZ-CG2 3.94Å; F137-F225 HydrophobicContact CE1-CB 4.24Å; F137-A226 HydrophobicContact CD1-CB 4.21Å; F137-A226 HydrophobicContact CE1-CB 3.89Å; F137-A226 HydrophobicContact CZ-CB 4.48Å |
| 138 | T | 91.7 | Very high | 89 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -64.2 | -42.1 | -178.3 | 55.5 | 0 | 0 | 0 | 0 | 111.3 | A98 Y134 N135 T142 I176 W177 S180 | A98-T138 VanDerWaalsContact CB-OG1 3.27Å; A98-T138 WeakPolarHBondContact CB-OG1 3.26Å; Y134-T138 HydrophobicContact CD1-CG2 4.42Å; Y134-T138 VanDerWaalsContact O-CB 3.26Å; Y134-T138 WeakPolarHBondContact O-CB 3.48Å; Y134-T138 WeakPolarHBondContact O-CG2 3.16Å; Y134-T138 PolarHBondContact O-N 3.34Å; Y134-T138 PolarHBondContact O-OG1 3.46Å; N135-T138 PolarHBondContact O-N 3.38Å; N135-T138 PolarHBondContact O-OG1 2.91Å; T138-T142 WeakPolarHBondContact O-CB 3.42Å; T138-T142 PolarHBondContact O-N 2.92Å; T138-T142 PolarHBondContact O-OG1 3.29Å; T138-I176 HydrophobicContact CG2-CG2 4.26Å; T138-W177 HydrophobicContact CG2-CD2 4.04Å; T138-W177 HydrophobicContact CG2-CE3 4.01Å; T138-W177 HydrophobicContact CG2-CH2 4.34Å; T138-W177 HydrophobicContact CG2-CZ2 4.37Å; T138-W177 HydrophobicContact CG2-CZ3 4.17Å; T138-S180 VanDerWaalsContact CG2-OG 3.23Å; T138-S180 WeakPolarHBondContact CG2-OG 3.33Å; T138-S180 PolarHBondContact N-OG 2.91Å |
| 139 | S | 89.2 | Confident | 88.9 | Confident | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.007 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -64.9 | -45.9 | -179.8 | -67.1 | 0 | 0 | 0 | 0 | 111.2 | D99 N135 F137 T142 L143 | D99-S139 PolarHBondContact OD1-OG 3.43Å; N135-S139 PolarHBondContact ND2-OG 3.39Å; N135-S139 WeakPolarHBondContact O-CB 3.27Å; N135-S139 PolarHBondContact O-N 3.3Å; N135-S139 PolarHBondContact O-OG 3.34Å; N135-S139 VanDerWaalsContact O-OG 3.07Å; F137-S139 PolarHBondContact O-N 2.99Å; S139-T142 PolarHBondContact O-N 3.35Å; S139-L143 WeakPolarHBondContact O-CB 3.24Å; S139-L143 VanDerWaalsContact O-CG 3.32Å; S139-L143 WeakPolarHBondContact O-CG 3.19Å; S139-L143 PolarHBondContact O-N 2.96Å |
| 140 | I | 87.9 | Confident | 88.6 | Confident | 2 Ų | 2 | 20.2 Ų | 20.2 | 1% | 0.01 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -69.5 | -44.4 | 179.4 | -169.8 | 45.8 | 0 | 0 | 0 | 112.8 | M136 F137 T142 L143 T144 A226 P230 I234 F275 | M136-I140 WeakPolarHBondContact O-CG2 3.36Å; M136-I140 PolarHBondContact O-N 2.94Å; F137-I140 WeakPolarHBondContact O-CG2 3.39Å; F137-I140 PolarHBondContact O-N 3.43Å; I140-T142 VanDerWaalsContact C-N 3.26Å; I140-T142 PolarHBondContact O-N 3.29Å; I140-L143 HydrophobicContact CD1-CB 4.44Å; I140-L143 PolarHBondContact O-N 3.37Å; I140-L143 VanDerWaalsContact O-N 3.15Å; I140-T144 PolarHBondContact O-N 3.18Å; I140-T144 PolarHBondContact O-OG1 3.22Å; I140-A226 HydrophobicContact CG2-CB 4.48Å; I140-P230 HydrophobicContact CD1-CB 3.43Å; I140-P230 VanDerWaalsContact CD1-CB 3.43Å; I140-P230 HydrophobicContact CD1-CG 4.2Å; I140-P230 HydrophobicContact CG1-CB 3.22Å; I140-P230 HydrophobicContact CG1-CG 3.41Å; I140-P230 VanDerWaalsContact CG1-CG 3.41Å; I140-P230 HydrophobicContact CG2-CG 4.36Å; I140-I234 HydrophobicContact CD1-CD1 4.01Å; I140-F275 HydrophobicContact CB-CE2 4.36Å; I140-F275 HydrophobicContact CB-CZ 4.4Å; I140-F275 HydrophobicContact CD1-CD1 4.4Å; I140-F275 HydrophobicContact CD1-CD2 4.1Å; I140-F275 HydrophobicContact CD1-CE1 3.72Å; I140-F275 HydrophobicContact CD1-CE2 3.37Å; I140-F275 HydrophobicContact CD1-CZ 3.16Å; I140-F275 HydrophobicContact CG1-CE2 4.1Å; I140-F275 HydrophobicContact CG1-CZ 3.75Å |
| 141 | F | 91.9 | Very high | 88.5 | Confident | 35 Ų | 35 | 22.5 Ų | 22.5 | 15% | 0.154 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -62.7 | -36.2 | 176.6 | -63.8 | -26.4 | 0 | 0 | 0 | 111.7 | F137 T144 M145 I176 L179 | F137-F141 HydrophobicContact CB-CD2 4.28Å; F137-F141 HydrophobicContact CB-CE2 3.93Å; F137-F141 AromaticContact CD1-CE2 3.95Å; F137-F141 HydrophobicContact CD1-CE2 3.95Å; F137-F141 AromaticContact CD1-CZ 3.73Å; F137-F141 HydrophobicContact CD1-CZ 3.73Å; F137-F141 HydrophobicContact CG-CE2 4.35Å; F137-F141 WeakPolarHBondContact O-CB 3.39Å; F137-F141 WeakPolarHBondContact O-CD2 3.43Å; F137-F141 WeakPolarHBondContact O-CG 3.47Å; F137-F141 PolarHBondContact O-N 3.01Å; F141-T144 PolarHBondContact O-N 3.36Å; F141-M145 WeakPolarHBondContact O-CB 3.45Å; F141-M145 PolarHBondContact O-N 3.31Å; F141-I176 HydrophobicContact CB-CD1 4.39Å; F141-I176 HydrophobicContact CB-CG1 4.04Å; F141-I176 HydrophobicContact CB-CG2 3.89Å; F141-I176 HydrophobicContact CD2-CG2 4.39Å; F141-L179 HydrophobicContact CD2-CD2 3.94Å; F141-L179 HydrophobicContact CD2-CG 4.34Å; F141-L179 HydrophobicContact CE1-CD2 4.49Å; F141-L179 HydrophobicContact CE2-CB 4.32Å; F141-L179 HydrophobicContact CE2-CD2 3.51Å; F141-L179 HydrophobicContact CE2-CG 3.68Å; F141-L179 HydrophobicContact CZ-CD2 3.82Å; F141-L179 HydrophobicContact CZ-CG 4.23Å |
| 142 | T | 91 | Very high | 88.3 | Confident | 0 Ų | 0 | 22.4 Ų | 22.4 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.2 | -44.9 | 173.9 | -57 | 0 | 0 | 0 | 0 | 111.2 | Y91 N94 L95 T138 S139 I140 T144 M145 M146 | Y91-T142 WeakPolarHBondContact O-CG2 3.48Å; N94-T142 HydrophobicContact CB-CG2 4.38Å; N94-T142 PolarHBondContact ND2-OG1 3.48Å; L95-T142 HydrophobicContact CB-CG2 4.08Å; T138-T142 WeakPolarHBondContact O-CB 3.42Å; T138-T142 PolarHBondContact O-N 2.92Å; T138-T142 PolarHBondContact O-OG1 3.29Å; S139-T142 PolarHBondContact O-N 3.35Å; I140-T142 VanDerWaalsContact C-N 3.26Å; I140-T142 PolarHBondContact O-N 3.29Å; T142-T144 PolarHBondContact O-N 3.04Å; T142-M145 PolarHBondContact O-N 3.39Å; T142-M146 HydrophobicContact CG2-CG 4.42Å; T142-M146 HydrophobicContact CG2-SD 4.29Å; T142-M146 WeakPolarHBondContact O-CB 3.4Å; T142-M146 VanDerWaalsContact O-CG 3.28Å; T142-M146 WeakPolarHBondContact O-CG 3.44Å; T142-M146 PolarHBondContact O-N 3.49Å |
| 143 | L | 85.4 | Confident | 88.1 | Confident | 10 Ų | 10 | 22 Ų | 22 | 5% | 0.052 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -62.9 | -40.9 | 176.4 | -75.1 | 172.4 | 0 | 0 | 0 | 112.6 | L95 S139 I140 M146 S147 V271 F275 | L95-L143 HydrophobicContact CD2-CD2 4.06Å; L95-L143 HydrophobicContact CD2-CG 4.49Å; S139-L143 WeakPolarHBondContact O-CB 3.24Å; S139-L143 VanDerWaalsContact O-CG 3.32Å; S139-L143 WeakPolarHBondContact O-CG 3.19Å; S139-L143 PolarHBondContact O-N 2.96Å; I140-L143 HydrophobicContact CD1-CB 4.44Å; I140-L143 PolarHBondContact O-N 3.37Å; I140-L143 VanDerWaalsContact O-N 3.15Å; L143-M146 PolarHBondContact O-N 3.46Å; L143-S147 PolarHBondContact O-N 3.05Å; L143-S147 PolarHBondContact O-OG 3.36Å; L143-V271 HydrophobicContact CD2-CG1 4.33Å; L143-F275 HydrophobicContact CD1-CD2 3.82Å; L143-F275 HydrophobicContact CD1-CE2 4.36Å |
| 144 | T | 90.1 | Very high | 87.6 | Confident | 19 Ų | 19 | 21.7 Ų | 21.7 | 12% | 0.117 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -60.5 | -47.2 | 173.3 | -57.4 | 0 | 0 | 0 | 0 | 110.5 | I140 F141 T142 M146 S147 V148 P230 V233 | I140-T144 PolarHBondContact O-N 3.18Å; I140-T144 PolarHBondContact O-OG1 3.22Å; F141-T144 PolarHBondContact O-N 3.36Å; T142-T144 PolarHBondContact O-N 3.04Å; T144-M146 PolarHBondContact O-N 2.92Å; T144-S147 WeakPolarHBondContact O-CB 3.46Å; T144-S147 PolarHBondContact O-N 3.38Å; T144-S147 VanDerWaalsContact O-N 3.12Å; T144-V148 WeakPolarHBondContact O-CG2 2.93Å; T144-V148 PolarHBondContact O-N 3.45Å; T144-P230 WeakPolarHBondContact OG1-CB 3.17Å; T144-V233 HydrophobicContact CG2-CB 3.79Å; T144-V233 HydrophobicContact CG2-CG1 3.43Å; T144-V233 VanDerWaalsContact CG2-CG1 3.43Å |
| 145 | M | 90.6 | Very high | 87.3 | Confident | 29 Ų | 29 | 20.2 Ų | 20.2 | 14% | 0.143 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 178.1 | -169 | 63.8 | -119.5 | 0 | 0 | 112.4 | Y91 F141 T142 S147 V148 D149 F163 I172 I176 | Y91-M145 HydrophobicContact CD1-CG 4.29Å; Y91-M145 HydrophobicContact CE1-CB 4.35Å; Y91-M145 HydrophobicContact CE1-CG 3.58Å; Y91-M145 HydrophobicContact CE2-CG 4.23Å; F141-M145 WeakPolarHBondContact O-CB 3.45Å; F141-M145 PolarHBondContact O-N 3.31Å; T142-M145 PolarHBondContact O-N 3.39Å; M145-S147 PolarHBondContact O-N 3.43Å; M145-V148 HydrophobicContact CE-CB 3.71Å; M145-V148 HydrophobicContact CE-CG1 3.6Å; M145-V148 PolarHBondContact O-N 3.23Å; M145-D149 WeakPolarHBondContact O-CB 2.94Å; M145-D149 PolarHBondContact O-N 2.83Å; M145-F163 HydrophobicContact CE-CE1 3.71Å; M145-F163 HydrophobicContact CE-CZ 3.61Å; M145-I172 HydrophobicContact CE-CD1 4.47Å; M145-I172 HydrophobicContact CG-CG2 3.68Å; M145-I172 HydrophobicContact SD-CD1 4.26Å; M145-I172 HydrophobicContact SD-CG2 3.89Å; M145-I176 HydrophobicContact CB-CD1 4.44Å |
| 146 | M | 86.7 | Confident | 87 | Confident | 26 Ų | 26 | 23 Ų | 23 | 13% | 0.128 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -60.1 | -37.7 | 172.6 | -74.1 | -179.6 | 73 | 0 | 0 | 111.5 | T88 Y91 I92 T142 L143 T144 D149 R150 | T88-M146 HydrophobicContact CG2-CE 4.42Å; Y91-M146 HydrophobicContact CD2-CG 4.36Å; Y91-M146 HydrophobicContact CG-CG 4.13Å; I92-M146 HydrophobicContact CD1-CE 4.36Å; I92-M146 HydrophobicContact CG1-CE 3.67Å; I92-M146 HydrophobicContact CG1-SD 4.49Å; T142-M146 HydrophobicContact CG2-CG 4.42Å; T142-M146 HydrophobicContact CG2-SD 4.29Å; T142-M146 WeakPolarHBondContact O-CB 3.4Å; T142-M146 VanDerWaalsContact O-CG 3.28Å; T142-M146 WeakPolarHBondContact O-CG 3.44Å; T142-M146 PolarHBondContact O-N 3.49Å; L143-M146 PolarHBondContact O-N 3.46Å; T144-M146 PolarHBondContact O-N 2.92Å; M146-D149 PolarHBondContact O-N 3.37Å; M146-R150 WeakPolarHBondContact O-CG 3.35Å; M146-R150 PolarHBondContact O-N 2.85Å |
| 147 | S | 85.3 | Confident | 86.8 | Confident | 3 Ų | 3 | 25.8 Ų | 25.8 | 2% | 0.021 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.7 | -41 | 176.9 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | L143 T144 M145 R150 Y151 Y238 | L143-S147 PolarHBondContact O-N 3.05Å; L143-S147 PolarHBondContact O-OG 3.36Å; T144-S147 WeakPolarHBondContact O-CB 3.46Å; T144-S147 PolarHBondContact O-N 3.38Å; T144-S147 VanDerWaalsContact O-N 3.12Å; M145-S147 PolarHBondContact O-N 3.43Å; S147-R150 PolarHBondContact O-N 2.63Å; S147-Y151 WeakPolarHBondContact O-CB 3.48Å; S147-Y151 PolarHBondContact O-N 3.43Å; S147-Y238 WeakPolarHBondContact OG-CE2 3.38Å; S147-Y238 PolarHBondContact OG-OH 3.34Å |
| 148 | V | 89.6 | Confident | 86.6 | Confident | 35 Ų | 35 | 31.6 Ų | 31.6 | 21% | 0.212 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -65.6 | -43.4 | 173.5 | 173.9 | 0 | 0 | 0 | 0 | 111.5 | T144 M145 R150 Y151 I152 V233 | T144-V148 WeakPolarHBondContact O-CG2 2.93Å; T144-V148 PolarHBondContact O-N 3.45Å; M145-V148 HydrophobicContact CE-CB 3.71Å; M145-V148 HydrophobicContact CE-CG1 3.6Å; M145-V148 PolarHBondContact O-N 3.23Å; V148-R150 VanDerWaalsContact C-N 3.27Å; V148-R150 PolarHBondContact O-N 3.06Å; V148-Y151 PolarHBondContact O-N 2.97Å; V148-I152 HydrophobicContact CG1-CD1 3.77Å; V148-I152 HydrophobicContact CG1-CG1 4.34Å; V148-I152 WeakPolarHBondContact O-CG1 3.32Å; V148-I152 PolarHBondContact O-N 3.47Å; V148-V233 HydrophobicContact CG2-CG1 4.16Å |
| 149 | D | 87 | Confident | 86.4 | Confident | 0 Ų | 0 | 38.7 Ų | 38.7 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -54.9 | -44.7 | 174.8 | 173.1 | 72.2 | 0 | 0 | 0 | 111.1 | T88 Y91 M145 M146 A153 R164 | T88-D149 PolarHBondContact OG1-OD2 3.4Å; Y91-D149 HydrophobicContact CE2-CB 4.26Å; M145-D149 WeakPolarHBondContact O-CB 2.94Å; M145-D149 PolarHBondContact O-N 2.83Å; M146-D149 PolarHBondContact O-N 3.37Å; D149-A153 WeakPolarHBondContact O-CB 3.5Å; D149-A153 PolarHBondContact O-N 3.41Å; D149-R164 WeakPolarHBondContact OD1-CG 3.47Å; D149-R164 IonicContact OD1-CZ 3.62Å; D149-R164 IonicContact OD1-NE 2.78Å; D149-R164 PolarHBondContact OD1-NE 2.87Å; D149-R164 IonicContact OD1-NH2 3.63Å; D149-R164 IonicContact OD2-CZ 3.47Å; D149-R164 IonicContact OD2-NE 3.42Å; D149-R164 PolarHBondContact OD2-NE 3.48Å; D149-R164 IonicContact OD2-NH2 2.76Å; D149-R164 PolarHBondContact OD2-NH2 2.99Å |
| 150 | R | 82.1 | Confident | 86.2 | Confident | 80 Ų | 80 | 39.1 Ų | 39.1 | 30% | 0.302 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -68.9 | -42.7 | 178.1 | -68.4 | -70.5 | 137.3 | 168.6 | 3.1 | 112.2 | T88 M146 S147 V148 A153 V154 R164 | T88-R150 PolarHBondContact OG1-NH2 3.33Å; M146-R150 WeakPolarHBondContact O-CG 3.35Å; M146-R150 PolarHBondContact O-N 2.85Å; S147-R150 PolarHBondContact O-N 2.63Å; V148-R150 VanDerWaalsContact C-N 3.27Å; V148-R150 PolarHBondContact O-N 3.06Å; R150-A153 PolarHBondContact O-N 3.31Å; R150-V154 WeakPolarHBondContact O-CG2 3.4Å; R150-V154 PolarHBondContact O-N 2.8Å; R150-V154 VanDerWaalsContact O-N 3.1Å; R150-R164 VanDerWaalsContact NH2-NH2 3.14Å |
| 151 | Y | 85.9 | Confident | 86.1 | Confident | 51 Ų | 51 | 46 Ų | 46 | 20% | 0.2 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -57.3 | -49.3 | 173.9 | 166 | -101.4 | 0 | 0 | 0 | 111.5 | S147 V148 A153 V154 C155 H156 C237 L240 | S147-Y151 WeakPolarHBondContact O-CB 3.48Å; S147-Y151 PolarHBondContact O-N 3.43Å; V148-Y151 PolarHBondContact O-N 2.97Å; Y151-A153 VanDerWaalsContact C-N 3.35Å; Y151-A153 PolarHBondContact O-N 3.08Å; Y151-V154 PolarHBondContact O-N 3.47Å; Y151-C155 HydrophobicContact CD2-CB 4.03Å; Y151-C155 VanDerWaalsContact CD2-SG 3.51Å; Y151-C155 HydrophobicContact CE2-CB 3.66Å; Y151-C155 WeakPolarHBondContact CE2-SG 3.39Å; Y151-C155 VanDerWaalsContact O-CB 3.26Å; Y151-C155 WeakPolarHBondContact O-CB 3.26Å; Y151-C155 PolarHBondContact O-N 3.4Å; Y151-H156 AromaticContact CE1-CD2 3.82Å; Y151-H156 AromaticContact CE1-NE2 3.91Å; Y151-H156 AromaticContact CZ-CD2 3.88Å; Y151-H156 AromaticContact CZ-NE2 3.62Å; Y151-H156 PolarHBondContact OH-NE2 2.92Å; Y151-C237 WeakPolarHBondContact CD2-O 3.24Å; Y151-L240 HydrophobicContact CD2-CB 4.08Å; Y151-L240 HydrophobicContact CE2-CB 3.59Å; Y151-L240 HydrophobicContact CE2-CD1 4.01Å; Y151-L240 HydrophobicContact CE2-CG 4.48Å |
| 152 | I | 87.2 | Confident | 85.8 | Confident | 24 Ų | 24 | 46.2 Ų | 46.2 | 12% | 0.123 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.6 | -43.6 | 179.3 | -66.7 | 168.9 | 0 | 0 | 0 | 110.5 | V148 V154 H156 A160 F163 | V148-I152 HydrophobicContact CG1-CD1 3.77Å; V148-I152 HydrophobicContact CG1-CG1 4.34Å; V148-I152 WeakPolarHBondContact O-CG1 3.32Å; V148-I152 PolarHBondContact O-N 3.47Å; I152-V154 VanDerWaalsContact C-N 3.27Å; I152-V154 PolarHBondContact O-N 2.92Å; I152-H156 CarbonylContact O-C 3.52Å; I152-H156 WeakPolarHBondContact O-CA 3.42Å; I152-H156 PolarHBondContact O-N 2.89Å; I152-A160 HydrophobicContact CG2-CB 4.05Å; I152-F163 HydrophobicContact CD1-CD1 3.61Å; I152-F163 HydrophobicContact CD1-CD2 4.26Å; I152-F163 HydrophobicContact CD1-CE1 3.51Å; I152-F163 HydrophobicContact CD1-CE2 4.18Å; I152-F163 HydrophobicContact CD1-CG 4Å; I152-F163 HydrophobicContact CD1-CZ 3.82Å; I152-F163 HydrophobicContact CG2-CB 4.34Å; I152-F163 HydrophobicContact CG2-CD1 4.32Å; I152-F163 HydrophobicContact CG2-CG 4.47Å |
| 153 | A | 82.4 | Confident | 85.6 | Confident | 24 Ų | 24 | 49.2 Ų | 49.2 | 20% | 0.198 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -58.3 | -37.7 | 179 | 0 | 0 | 0 | 0 | 0 | 113.5 | D149 R150 Y151 | D149-A153 WeakPolarHBondContact O-CB 3.5Å; D149-A153 PolarHBondContact O-N 3.41Å; R150-A153 PolarHBondContact O-N 3.31Å; Y151-A153 VanDerWaalsContact C-N 3.35Å; Y151-A153 PolarHBondContact O-N 3.08Å |
| 154 | V | 78.7 | Confident | 85.8 | Confident | 46 Ų | 46 | 52.3 Ų | 52.3 | 28% | 0.279 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -90.9 | -46 | -174.7 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | R150 Y151 I152 M241 L245 | R150-V154 WeakPolarHBondContact O-CG2 3.4Å; R150-V154 PolarHBondContact O-N 2.8Å; R150-V154 VanDerWaalsContact O-N 3.1Å; Y151-V154 PolarHBondContact O-N 3.47Å; I152-V154 VanDerWaalsContact C-N 3.27Å; I152-V154 PolarHBondContact O-N 2.92Å; V154-M241 HydrophobicContact CB-CG 3.99Å; V154-M241 HydrophobicContact CB-SD 4.48Å; V154-M241 HydrophobicContact CG1-CG 3.82Å; V154-M241 HydrophobicContact CG2-CG 4.24Å; V154-M241 HydrophobicContact CG2-SD 4.14Å; V154-L245 HydrophobicContact CG1-CD1 4.32Å; V154-L245 HydrophobicContact CG1-CD2 3.34Å; V154-L245 HydrophobicContact CG1-CG 3.78Å |
| 155 | C | 83.2 | Confident | 85.8 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 8% | 0.081 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -85.1 | -28.3 | -173 | -63.4 | 0 | 0 | 0 | 0 | 113 | Y151 R244 | Y151-C155 HydrophobicContact CD2-CB 4.03Å; Y151-C155 VanDerWaalsContact CD2-SG 3.51Å; Y151-C155 HydrophobicContact CE2-CB 3.66Å; Y151-C155 WeakPolarHBondContact CE2-SG 3.39Å; Y151-C155 VanDerWaalsContact O-CB 3.26Å; Y151-C155 WeakPolarHBondContact O-CB 3.26Å; Y151-C155 PolarHBondContact O-N 3.4Å; C155-R244 HydrophobicContact CB-CG 4.32Å; C155-R244 VanDerWaalsContact SG-CB 3.59Å |
| 156 | H | 84.9 | Confident | 85.7 | Confident | 65 Ų | 65 | 54.9 Ų | 54.9 | 30% | 0.301 | 30% | 0.296 | S | S | . | . | trans | -134.5 | 63.1 | -173.2 | -59.2 | -77.2 | 0 | 0 | 0 | 111.7 | Y151 I152 V158 K159 A160 | Y151-H156 AromaticContact CE1-CD2 3.82Å; Y151-H156 AromaticContact CE1-NE2 3.91Å; Y151-H156 AromaticContact CZ-CD2 3.88Å; Y151-H156 AromaticContact CZ-NE2 3.62Å; Y151-H156 PolarHBondContact OH-NE2 2.92Å; I152-H156 CarbonylContact O-C 3.52Å; I152-H156 WeakPolarHBondContact O-CA 3.42Å; I152-H156 PolarHBondContact O-N 2.89Å; H156-V158 VanDerWaalsContact C-N 3.29Å; H156-V158 PolarHBondContact O-N 3.03Å; H156-K159 HydrophobicContact CB-CB 4.08Å; H156-K159 HydrophobicContact CB-CD 4.25Å; H156-K159 HydrophobicContact CB-CG 4.37Å; H156-K159 PolarHBondContact O-N 2.99Å; H156-K159 VanDerWaalsContact O-N 3.09Å; H156-A160 PolarHBondContact O-N 2.9Å | ||
| 157 | P | 81 | Confident | 85.9 | Confident | 80 Ų | 80 | 58.5 Ų | 58.5 | 52% | 0.519 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -59.7 | -34 | -170.6 | 23.6 | -34.6 | 0 | 0 | 0 | 113.9 | A160 | P157-A160 WeakPolarHBondContact O-CB 3.5Å; P157-A160 PolarHBondContact O-N 3.46Å |
| 158 | V | 86.6 | Confident | 86.3 | Confident | 121 Ų | 121 | 62.8 Ų | 62.8 | 73% | 0.733 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -68.1 | -44.8 | 177 | -177.9 | 0 | 0 | 0 | 0 | 111.1 | H156 A160 L161 | H156-V158 VanDerWaalsContact C-N 3.29Å; H156-V158 PolarHBondContact O-N 3.03Å; V158-A160 VanDerWaalsContact C-N 3.25Å; V158-A160 PolarHBondContact O-N 3.28Å; V158-L161 PolarHBondContact O-N 3.44Å |
| 159 | K | 87.7 | Confident | 86.3 | Confident | 149 Ų | 149 | 61.2 Ų | 61.2 | 65% | 0.648 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -66.1 | -31 | 175.6 | -63.6 | -175.6 | 179.9 | 177.9 | 0 | 111.6 | H156 L161 G162 F163 | H156-K159 HydrophobicContact CB-CB 4.08Å; H156-K159 HydrophobicContact CB-CD 4.25Å; H156-K159 HydrophobicContact CB-CG 4.37Å; H156-K159 PolarHBondContact O-N 2.99Å; H156-K159 VanDerWaalsContact O-N 3.09Å; K159-L161 PolarHBondContact O-N 3.05Å; K159-G162 PolarHBondContact O-N 3.48Å; K159-F163 WeakPolarHBondContact O-CB 3.46Å; K159-F163 PolarHBondContact O-N 2.89Å |
| 160 | A | 84.9 | Confident | 86.6 | Confident | 11 Ų | 11 | 67.4 Ų | 67.4 | 9% | 0.091 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -60 | -32.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113 | I152 H156 P157 V158 G162 F163 R164 | I152-A160 HydrophobicContact CG2-CB 4.05Å; H156-A160 PolarHBondContact O-N 2.9Å; P157-A160 WeakPolarHBondContact O-CB 3.5Å; P157-A160 PolarHBondContact O-N 3.46Å; V158-A160 VanDerWaalsContact C-N 3.25Å; V158-A160 PolarHBondContact O-N 3.28Å; A160-G162 VanDerWaalsContact C-N 3.32Å; A160-G162 PolarHBondContact O-N 3.41Å; A160-F163 PolarHBondContact O-N 3.35Å; A160-R164 HydrophobicContact CB-CG 4.3Å; A160-R164 WeakPolarHBondContact O-CB 3.31Å; A160-R164 WeakPolarHBondContact O-CG 3.07Å; A160-R164 PolarHBondContact O-N 2.9Å |
| 161 | L | 85.1 | Confident | 87.2 | Confident | 145 Ų | 145 | 69.8 Ų | 69.8 | 76% | 0.759 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60 | -41.1 | 177.2 | -66.4 | 171 | 0 | 0 | 0 | 112.2 | V158 K159 | V158-L161 PolarHBondContact O-N 3.44Å; K159-L161 PolarHBondContact O-N 3.05Å |
| 162 | G | 85.7 | Confident | 87.6 | Confident | 41 Ų | 41 | 69 Ų | 69 | 42% | 0.423 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -85.5 | -26.6 | 177.9 | 0 | 0 | 0 | 0 | 0 | 114 | K159 A160 K168 | K159-G162 PolarHBondContact O-N 3.48Å; A160-G162 VanDerWaalsContact C-N 3.32Å; A160-G162 PolarHBondContact O-N 3.41Å; G162-K168 WeakPolarHBondContact O-CE 3.25Å; G162-K168 PolarHBondContact O-NZ 2.87Å |
| 163 | F | 88.6 | Confident | 88 | Confident | 63 Ų | 63 | 68.5 Ų | 68.5 | 28% | 0.276 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -82.7 | -44.4 | -177.5 | -172.5 | -96.9 | 0 | 0 | 0 | 112.9 | M145 I152 K159 A160 T165 I172 | M145-F163 HydrophobicContact CE-CE1 3.71Å; M145-F163 HydrophobicContact CE-CZ 3.61Å; I152-F163 HydrophobicContact CD1-CD1 3.61Å; I152-F163 HydrophobicContact CD1-CD2 4.26Å; I152-F163 HydrophobicContact CD1-CE1 3.51Å; I152-F163 HydrophobicContact CD1-CE2 4.18Å; I152-F163 HydrophobicContact CD1-CG 4Å; I152-F163 HydrophobicContact CD1-CZ 3.82Å; I152-F163 HydrophobicContact CG2-CB 4.34Å; I152-F163 HydrophobicContact CG2-CD1 4.32Å; I152-F163 HydrophobicContact CG2-CG 4.47Å; K159-F163 WeakPolarHBondContact O-CB 3.46Å; K159-F163 PolarHBondContact O-N 2.89Å; A160-F163 PolarHBondContact O-N 3.35Å; F163-T165 PolarHBondContact O-N 3.28Å; F163-I172 HydrophobicContact CZ-CD1 4.19Å |
| 164 | R | 88.3 | Confident | 88.6 | Confident | 75 Ų | 75 | 71.9 Ų | 71.9 | 28% | 0.283 | 39% | 0.386 | S | S | . | . | S | Bend | trans | -84.6 | 48.7 | -170.2 | -56.6 | -176.4 | 76.7 | -165.3 | 7.5 | 113 | A87 T88 D149 R150 A160 | A87-R164 HydrophobicContact CB-CB 4.22Å; A87-R164 WeakPolarHBondContact CB-O 3.33Å; T88-R164 PolarHBondContact OG1-NH2 3.35Å; D149-R164 WeakPolarHBondContact OD1-CG 3.47Å; D149-R164 IonicContact OD1-CZ 3.62Å; D149-R164 IonicContact OD1-NE 2.78Å; D149-R164 PolarHBondContact OD1-NE 2.87Å; D149-R164 IonicContact OD1-NH2 3.63Å; D149-R164 IonicContact OD2-CZ 3.47Å; D149-R164 IonicContact OD2-NE 3.42Å; D149-R164 PolarHBondContact OD2-NE 3.48Å; D149-R164 IonicContact OD2-NH2 2.76Å; D149-R164 PolarHBondContact OD2-NH2 2.99Å; R150-R164 VanDerWaalsContact NH2-NH2 3.14Å; A160-R164 HydrophobicContact CB-CG 4.3Å; A160-R164 WeakPolarHBondContact O-CB 3.31Å; A160-R164 WeakPolarHBondContact O-CG 3.07Å; A160-R164 PolarHBondContact O-N 2.9Å |
| 165 | T | 90.1 | Very high | 89.4 | Confident | 46 Ų | 46 | 75 Ų | 75 | 28% | 0.282 | 40% | 0.401 | S | S | . | . | trans | -93.1 | 144.9 | 177 | 63.2 | 0 | 0 | 0 | 0 | 110.7 | F163 V167 K168 A169 | F163-T165 PolarHBondContact O-N 3.28Å; T165-V167 PolarHBondContact O-N 3.29Å; T165-K168 PolarHBondContact O-N 3.37Å; T165-K168 WeakPolarHBondContact OG1-CB 3.01Å; T165-K168 VanDerWaalsContact OG1-CG 3.27Å; T165-K168 WeakPolarHBondContact OG1-CG 3.26Å; T165-K168 PolarHBondContact OG1-N 3.46Å; T165-A169 PolarHBondContact O-N 3Å | ||
| 166 | P | 88.3 | Confident | 90 | Very high | 56 Ų | 56 | 75 Ų | 75 | 36% | 0.364 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -56.2 | -34.4 | 176.5 | -29.5 | 37.5 | 0 | 0 | 0 | 113.8 | I90 K170 | I90-P166 HydrophobicContact CD1-CB 3.6Å; P166-K170 WeakPolarHBondContact O-CG 3.22Å; P166-K170 PolarHBondContact O-N 3.34Å |
| 167 | V | 91.3 | Very high | 90.5 | Very high | 101 Ų | 101 | 75 Ų | 75 | 61% | 0.612 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -66.3 | -48.9 | 179.2 | -179 | 0 | 0 | 0 | 0 | 110.7 | T165 A169 K170 M171 | T165-V167 PolarHBondContact O-N 3.29Å; V167-A169 VanDerWaalsContact C-N 3.34Å; V167-A169 PolarHBondContact O-N 3.43Å; V167-K170 PolarHBondContact O-N 2.94Å; V167-M171 WeakPolarHBondContact O-CG 3.16Å; V167-M171 PolarHBondContact O-N 3.24Å |
| 168 | K | 92.8 | Very high | 91.2 | Very high | 94 Ų | 94 | 75.6 Ų | 75.6 | 41% | 0.409 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -62.7 | -40.9 | 177 | -71.3 | -179.9 | -179.3 | 179 | 0 | 111.9 | G162 T165 K170 M171 I172 | G162-K168 WeakPolarHBondContact O-CE 3.25Å; G162-K168 PolarHBondContact O-NZ 2.87Å; T165-K168 PolarHBondContact O-N 3.37Å; T165-K168 WeakPolarHBondContact OG1-CB 3.01Å; T165-K168 VanDerWaalsContact OG1-CG 3.27Å; T165-K168 WeakPolarHBondContact OG1-CG 3.26Å; T165-K168 PolarHBondContact OG1-N 3.46Å; K168-K170 VanDerWaalsContact C-N 3.34Å; K168-K170 PolarHBondContact O-N 3.05Å; K168-M171 PolarHBondContact O-N 3.32Å; K168-I172 VanDerWaalsContact O-CG1 3.3Å; K168-I172 WeakPolarHBondContact O-CG1 3.21Å; K168-I172 PolarHBondContact O-N 2.99Å |
| 169 | A | 91.6 | Very high | 91.5 | Very high | 1 Ų | 1 | 74.1 Ų | 74.1 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -60.8 | -42.2 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | A87 I90 Y91 T165 V167 I172 N173 | A87-A169 HydrophobicContact CB-CB 3.94Å; I90-A169 HydrophobicContact CB-CB 4.1Å; I90-A169 HydrophobicContact CD1-CB 4.37Å; I90-A169 HydrophobicContact CG2-CB 3.85Å; Y91-A169 HydrophobicContact CE1-CB 4.39Å; Y91-A169 HydrophobicContact CE2-CB 4.22Å; T165-A169 PolarHBondContact O-N 3Å; V167-A169 VanDerWaalsContact C-N 3.34Å; V167-A169 PolarHBondContact O-N 3.43Å; A169-I172 PolarHBondContact O-N 3.18Å; A169-N173 PolarHBondContact O-N 2.98Å |
| 170 | K | 92.1 | Very high | 91.8 | Very high | 131 Ų | 131 | 67 Ų | 67 | 57% | 0.57 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -62 | -44.7 | 173.8 | -74.6 | 177.4 | 179.8 | -174.4 | 0 | 112.2 | I90 P166 V167 K168 I172 N173 V174 | I90-K170 HydrophobicContact CD1-CG 4.33Å; I90-K170 HydrophobicContact CG2-CG 4.11Å; P166-K170 WeakPolarHBondContact O-CG 3.22Å; P166-K170 PolarHBondContact O-N 3.34Å; V167-K170 PolarHBondContact O-N 2.94Å; K168-K170 VanDerWaalsContact C-N 3.34Å; K168-K170 PolarHBondContact O-N 3.05Å; K170-I172 VanDerWaalsContact C-N 3.33Å; K170-I172 PolarHBondContact O-N 2.7Å; K170-N173 PolarHBondContact O-N 2.84Å; K170-V174 WeakPolarHBondContact O-CG2 3.39Å; K170-V174 PolarHBondContact O-N 2.92Å |
| 171 | M | 94.9 | Very high | 92.2 | Very high | 129 Ų | 129 | 68.2 Ų | 68.2 | 64% | 0.635 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -60.7 | -42.5 | 176.5 | -70.8 | 179.2 | 66.6 | 0 | 0 | 112 | V167 K168 V174 L175 | V167-M171 WeakPolarHBondContact O-CG 3.16Å; V167-M171 PolarHBondContact O-N 3.24Å; K168-M171 PolarHBondContact O-N 3.32Å; M171-V174 PolarHBondContact O-N 2.86Å; M171-L175 PolarHBondContact O-N 2.82Å |
| 172 | I | 94.9 | Very high | 92.5 | Very high | 35 Ų | 35 | 64.6 Ų | 64.6 | 18% | 0.179 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.2 | -40.3 | 177.6 | -67.2 | 163.1 | 0 | 0 | 0 | 110.8 | Y91 M145 F163 K168 A169 K170 V174 L175 I176 | Y91-I172 HydrophobicContact CE1-CB 4.17Å; Y91-I172 HydrophobicContact CE1-CG2 3.94Å; Y91-I172 WeakPolarHBondContact OH-CD1 3.49Å; M145-I172 HydrophobicContact CE-CD1 4.47Å; M145-I172 HydrophobicContact CG-CG2 3.68Å; M145-I172 HydrophobicContact SD-CD1 4.26Å; M145-I172 HydrophobicContact SD-CG2 3.89Å; F163-I172 HydrophobicContact CZ-CD1 4.19Å; K168-I172 VanDerWaalsContact O-CG1 3.3Å; K168-I172 WeakPolarHBondContact O-CG1 3.21Å; K168-I172 PolarHBondContact O-N 2.99Å; A169-I172 PolarHBondContact O-N 3.18Å; K170-I172 VanDerWaalsContact C-N 3.33Å; K170-I172 PolarHBondContact O-N 2.7Å; I172-V174 PolarHBondContact O-N 3.38Å; I172-L175 WeakPolarHBondContact O-CB 3.48Å; I172-L175 PolarHBondContact O-N 3.23Å; I172-I176 HydrophobicContact CG2-CD1 4.1Å; I172-I176 HydrophobicContact CG2-CG1 4.46Å; I172-I176 WeakPolarHBondContact O-CG1 3.21Å; I172-I176 PolarHBondContact O-N 2.82Å |
| 173 | N | 94.1 | Very high | 92.5 | Very high | 13 Ų | 13 | 64.8 Ų | 64.8 | 7% | 0.07 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -59.6 | -45.8 | 173.1 | -75.3 | -10 | 0 | 0 | 0 | 111.8 | I90 Y91 A169 K170 L175 I176 W177 | I90-N173 WeakPolarHBondContact CG2-ND2 3.43Å; I90-N173 PolarHBondContact O-ND2 3.36Å; Y91-N173 WeakPolarHBondContact CD1-OD1 3.33Å; A169-N173 PolarHBondContact O-N 2.98Å; K170-N173 PolarHBondContact O-N 2.84Å; N173-L175 VanDerWaalsContact C-N 3.27Å; N173-L175 PolarHBondContact O-N 3.21Å; N173-I176 WeakPolarHBondContact O-CB 3.48Å; N173-I176 PolarHBondContact O-N 3.29Å; N173-I176 VanDerWaalsContact O-N 3.12Å; N173-W177 PolarHBondContact O-N 3.07Å |
| 174 | V | 95.5 | Very high | 92.5 | Very high | 95 Ų | 95 | 61.8 Ų | 61.8 | 58% | 0.576 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -58 | -43.3 | 175.8 | 172.3 | 0 | 0 | 0 | 0 | 110.7 | K170 M171 I172 I176 W177 V178 | K170-V174 WeakPolarHBondContact O-CG2 3.39Å; K170-V174 PolarHBondContact O-N 2.92Å; M171-V174 PolarHBondContact O-N 2.86Å; I172-V174 PolarHBondContact O-N 3.38Å; V174-I176 VanDerWaalsContact C-N 3.34Å; V174-I176 PolarHBondContact O-N 3.44Å; V174-W177 PolarHBondContact O-N 2.96Å; V174-V178 HydrophobicContact CG1-CG2 4.44Å; V174-V178 WeakPolarHBondContact O-CG2 3.44Å; V174-V178 PolarHBondContact O-N 3.21Å |
| 175 | L | 95.9 | Very high | 92.6 | Very high | 113 Ų | 113 | 61.3 Ų | 61.3 | 59% | 0.592 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -61.7 | -40.8 | 175.7 | -179.8 | 62.4 | 0 | 0 | 0 | 112.4 | M171 I172 N173 W177 V178 L179 | M171-L175 PolarHBondContact O-N 2.82Å; I172-L175 WeakPolarHBondContact O-CB 3.48Å; I172-L175 PolarHBondContact O-N 3.23Å; N173-L175 VanDerWaalsContact C-N 3.27Å; N173-L175 PolarHBondContact O-N 3.21Å; L175-W177 VanDerWaalsContact C-N 3.34Å; L175-W177 PolarHBondContact O-N 3.12Å; L175-V178 PolarHBondContact O-N 2.93Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 PolarHBondContact O-N 3.47Å |
| 176 | I | 95.4 | Very high | 92.7 | Very high | 11 Ų | 11 | 62 Ų | 62 | 6% | 0.056 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -58.4 | -47.8 | 175.2 | -71.9 | 167.6 | 0 | 0 | 0 | 110.1 | T138 F141 M145 I172 N173 V174 V178 L179 S180 | T138-I176 HydrophobicContact CG2-CG2 4.26Å; F141-I176 HydrophobicContact CB-CD1 4.39Å; F141-I176 HydrophobicContact CB-CG1 4.04Å; F141-I176 HydrophobicContact CB-CG2 3.89Å; F141-I176 HydrophobicContact CD2-CG2 4.39Å; M145-I176 HydrophobicContact CB-CD1 4.44Å; I172-I176 HydrophobicContact CG2-CD1 4.1Å; I172-I176 HydrophobicContact CG2-CG1 4.46Å; I172-I176 WeakPolarHBondContact O-CG1 3.21Å; I172-I176 PolarHBondContact O-N 2.82Å; N173-I176 WeakPolarHBondContact O-CB 3.48Å; N173-I176 PolarHBondContact O-N 3.29Å; N173-I176 VanDerWaalsContact O-N 3.12Å; V174-I176 VanDerWaalsContact C-N 3.34Å; V174-I176 PolarHBondContact O-N 3.44Å; I176-V178 PolarHBondContact O-N 3.15Å; I176-L179 PolarHBondContact O-N 3.45Å; I176-S180 WeakPolarHBondContact O-CB 3.29Å; I176-S180 PolarHBondContact O-N 3.4Å; I176-S180 PolarHBondContact O-OG 3.27Å |
| 177 | W | 95.4 | Very high | 92.6 | Very high | 66 Ų | 66 | 59.4 Ų | 59.4 | 25% | 0.25 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64 | -39.4 | 178.1 | -79.4 | 98.4 | 0 | 0 | 0 | 113 | N94 L97 L101 Y134 T138 N173 V174 L175 S180 S181 | N94-W177 PolarHBondContact OD1-NE1 3.24Å; L97-W177 HydrophobicContact CD2-CZ2 3.98Å; L97-W177 HydrophobicContact CG-CZ2 4.33Å; L101-W177 HydrophobicContact CD1-CH2 4.11Å; Y134-W177 AromaticContact CD1-CE3 3.97Å; Y134-W177 HydrophobicContact CD1-CE3 3.97Å; Y134-W177 AromaticContact CD1-CZ3 3.87Å; Y134-W177 HydrophobicContact CD1-CZ3 3.87Å; Y134-W177 HydrophobicContact CE1-CE3 4.16Å; Y134-W177 HydrophobicContact CE1-CZ3 4.38Å; Y134-W177 HydrophobicContact CG-CZ3 4.42Å; T138-W177 HydrophobicContact CG2-CD2 4.04Å; T138-W177 HydrophobicContact CG2-CE3 4.01Å; T138-W177 HydrophobicContact CG2-CH2 4.34Å; T138-W177 HydrophobicContact CG2-CZ2 4.37Å; T138-W177 HydrophobicContact CG2-CZ3 4.17Å; N173-W177 PolarHBondContact O-N 3.07Å; V174-W177 PolarHBondContact O-N 2.96Å; L175-W177 VanDerWaalsContact C-N 3.34Å; L175-W177 PolarHBondContact O-N 3.12Å; W177-S180 PolarHBondContact O-N 2.63Å; W177-S181 VanDerWaalsContact O-CB 3.29Å; W177-S181 WeakPolarHBondContact O-CB 3.45Å; W177-S181 PolarHBondContact O-N 2.75Å; W177-S181 PolarHBondContact O-OG 3.18Å |
| 178 | V | 95.8 | Very high | 92.5 | Very high | 92 Ų | 92 | 58.2 Ų | 58.2 | 56% | 0.558 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -63.4 | -45.8 | 175.3 | 170.6 | 0 | 0 | 0 | 0 | 110.5 | V174 L175 I176 S181 A182 | V174-V178 HydrophobicContact CG1-CG2 4.44Å; V174-V178 WeakPolarHBondContact O-CG2 3.44Å; V174-V178 PolarHBondContact O-N 3.21Å; L175-V178 PolarHBondContact O-N 2.93Å; I176-V178 PolarHBondContact O-N 3.15Å; V178-S181 WeakPolarHBondContact O-CB 3.25Å; V178-S181 PolarHBondContact O-N 3.29Å; V178-S181 VanDerWaalsContact O-N 3.16Å; V178-A182 PolarHBondContact O-N 3.39Å; V178-A182 VanDerWaalsContact O-N 3.09Å |
| 179 | L | 93.2 | Very high | 92.5 | Very high | 90 Ų | 90 | 58.4 Ų | 58.4 | 47% | 0.471 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.4 | -42.9 | 178.2 | -175.5 | 61 | 0 | 0 | 0 | 111.8 | F141 L175 I176 S181 A182 | F141-L179 HydrophobicContact CD2-CD2 3.94Å; F141-L179 HydrophobicContact CD2-CG 4.34Å; F141-L179 HydrophobicContact CE1-CD2 4.49Å; F141-L179 HydrophobicContact CE2-CB 4.32Å; F141-L179 HydrophobicContact CE2-CD2 3.51Å; F141-L179 HydrophobicContact CE2-CG 3.68Å; F141-L179 HydrophobicContact CZ-CD2 3.82Å; F141-L179 HydrophobicContact CZ-CG 4.23Å; L175-L179 WeakPolarHBondContact O-CB 3.46Å; L175-L179 PolarHBondContact O-N 3.47Å; I176-L179 PolarHBondContact O-N 3.45Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.16Å; L179-A182 WeakPolarHBondContact O-CB 3.16Å; L179-A182 PolarHBondContact O-N 3.15Å |
| 180 | S | 92.9 | Very high | 92.3 | Very high | 0 Ų | 0 | 60.1 Ų | 60.1 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -63.4 | -35.3 | 173.4 | -60.7 | 0 | 0 | 0 | 0 | 112 | F137 T138 I176 W177 A182 I183 G184 | F137-S180 WeakPolarHBondContact CB-OG 3.42Å; T138-S180 VanDerWaalsContact CG2-OG 3.23Å; T138-S180 WeakPolarHBondContact CG2-OG 3.33Å; T138-S180 PolarHBondContact N-OG 2.91Å; I176-S180 WeakPolarHBondContact O-CB 3.29Å; I176-S180 PolarHBondContact O-N 3.4Å; I176-S180 PolarHBondContact O-OG 3.27Å; W177-S180 PolarHBondContact O-N 2.63Å; S180-A182 VanDerWaalsContact C-N 3.31Å; S180-A182 PolarHBondContact O-N 3.47Å; S180-I183 PolarHBondContact O-N 2.91Å; S180-G184 PolarHBondContact O-N 3.29Å |
| 181 | S | 93.6 | Very high | 92.1 | Very high | 36 Ų | 36 | 53.9 Ų | 53.9 | 25% | 0.252 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -67.3 | -30 | 177.6 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | Y134 W177 V178 L179 I183 G184 V185 | Y134-S181 VanDerWaalsContact CE1-OG 3.28Å; Y134-S181 WeakPolarHBondContact CE1-OG 3.11Å; Y134-S181 VanDerWaalsContact OH-CA 3.3Å; Y134-S181 WeakPolarHBondContact OH-CA 3.46Å; Y134-S181 VanDerWaalsContact OH-CB 3.24Å; Y134-S181 WeakPolarHBondContact OH-CB 3.43Å; Y134-S181 PolarHBondContact OH-OG 3.45Å; W177-S181 VanDerWaalsContact O-CB 3.29Å; W177-S181 WeakPolarHBondContact O-CB 3.45Å; W177-S181 PolarHBondContact O-N 2.75Å; W177-S181 PolarHBondContact O-OG 3.18Å; V178-S181 WeakPolarHBondContact O-CB 3.25Å; V178-S181 PolarHBondContact O-N 3.29Å; V178-S181 VanDerWaalsContact O-N 3.16Å; L179-S181 VanDerWaalsContact C-N 3.28Å; L179-S181 PolarHBondContact O-N 3.16Å; S181-I183 PolarHBondContact O-N 3.41Å; S181-I183 VanDerWaalsContact O-N 3.09Å; S181-G184 PolarHBondContact O-N 3.46Å; S181-V185 WeakPolarHBondContact O-CB 3.49Å; S181-V185 WeakPolarHBondContact O-CG2 3.36Å; S181-V185 PolarHBondContact O-N 3.37Å |
| 182 | A | 91.2 | Very high | 91.7 | Very high | 68 Ų | 68 | 49 Ų | 49 | 56% | 0.562 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -58 | -23.8 | 175 | 0 | 0 | 0 | 0 | 0 | 112.5 | V178 L179 S180 P186 | V178-A182 PolarHBondContact O-N 3.39Å; V178-A182 VanDerWaalsContact O-N 3.09Å; L179-A182 WeakPolarHBondContact O-CB 3.16Å; L179-A182 PolarHBondContact O-N 3.15Å; S180-A182 VanDerWaalsContact C-N 3.31Å; S180-A182 PolarHBondContact O-N 3.47Å; A182-P186 WeakPolarHBondContact O-CD 3.11Å; A182-P186 WeakPolarHBondContact O-CG 3.39Å |
| 183 | I | 86.5 | Confident | 91.4 | Very high | 46 Ų | 46 | 49 Ų | 49 | 24% | 0.236 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -107.3 | -42 | 176.4 | -54.5 | 171.9 | 0 | 0 | 0 | 111 | F137 S180 S181 V185 P186 I187 | F137-I183 HydrophobicContact CD1-CD1 4.1Å; F137-I183 HydrophobicContact CD2-CB 4.34Å; F137-I183 HydrophobicContact CD2-CD1 4.28Å; F137-I183 HydrophobicContact CD2-CG2 4.35Å; F137-I183 HydrophobicContact CE1-CD1 3.51Å; F137-I183 HydrophobicContact CE2-CB 3.92Å; F137-I183 HydrophobicContact CE2-CD1 3.73Å; F137-I183 HydrophobicContact CE2-CG1 4.43Å; F137-I183 HydrophobicContact CE2-CG2 3.53Å; F137-I183 HydrophobicContact CG-CD1 4.46Å; F137-I183 HydrophobicContact CZ-CB 4.36Å; F137-I183 HydrophobicContact CZ-CD1 3.3Å; F137-I183 HydrophobicContact CZ-CG1 4.4Å; F137-I183 HydrophobicContact CZ-CG2 3.96Å; S180-I183 PolarHBondContact O-N 2.91Å; S181-I183 PolarHBondContact O-N 3.41Å; S181-I183 VanDerWaalsContact O-N 3.09Å; I183-V185 PolarHBondContact O-N 2.87Å; I183-P186 WeakPolarHBondContact O-CD 3.08Å; I183-I187 HydrophobicContact CG2-CG1 4.3Å; I183-I187 WeakPolarHBondContact O-CB 3.36Å; I183-I187 WeakPolarHBondContact O-CG1 3.32Å; I183-I187 PolarHBondContact O-N 2.9Å |
| 184 | G | 87.8 | Confident | 91 | Very high | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.7 | -38 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114 | S180 S181 I187 M188 | S180-G184 PolarHBondContact O-N 3.29Å; S181-G184 PolarHBondContact O-N 3.46Å; G184-I187 PolarHBondContact O-N 3.34Å; G184-M188 WeakPolarHBondContact O-CB 3.14Å; G184-M188 PolarHBondContact O-N 3.08Å |
| 185 | V | 92.1 | Very high | 90.5 | Very high | 64 Ų | 64 | 55.4 Ų | 55.4 | 39% | 0.388 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -67.5 | -50.3 | 178.9 | 173.6 | 0 | 0 | 0 | 0 | 111.7 | S181 I183 I187 M188 V189 | S181-V185 WeakPolarHBondContact O-CB 3.49Å; S181-V185 WeakPolarHBondContact O-CG2 3.36Å; S181-V185 PolarHBondContact O-N 3.37Å; I183-V185 PolarHBondContact O-N 2.87Å; V185-I187 VanDerWaalsContact C-N 3.27Å; V185-I187 PolarHBondContact O-N 3.39Å; V185-M188 WeakPolarHBondContact O-CB 3.27Å; V185-M188 PolarHBondContact O-N 3.35Å; V185-M188 VanDerWaalsContact O-N 3.16Å; V185-V189 WeakPolarHBondContact O-CG2 3.14Å; V185-V189 PolarHBondContact O-N 2.99Å |
| 186 | P | 90.4 | Very high | 89.7 | Confident | 60 Ų | 60 | 52.2 Ų | 52.2 | 39% | 0.39 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -53.5 | -44.1 | 172.2 | -28.7 | 34.1 | 0 | 0 | 0 | 113.2 | A182 I183 M188 V189 M190 | A182-P186 WeakPolarHBondContact O-CD 3.11Å; A182-P186 WeakPolarHBondContact O-CG 3.39Å; I183-P186 WeakPolarHBondContact O-CD 3.08Å; P186-M188 PolarHBondContact O-N 3.17Å; P186-V189 PolarHBondContact O-N 3.35Å; P186-V189 VanDerWaalsContact O-N 3.16Å; P186-M190 HydrophobicContact CB-CE 4.13Å; P186-M190 WeakPolarHBondContact O-CE 3.44Å; P186-M190 WeakPolarHBondContact O-CG 3.34Å; P186-M190 PolarHBondContact O-N 3.17Å |
| 187 | I | 87.3 | Confident | 88.8 | Confident | 2 Ų | 2 | 61.8 Ų | 61.8 | 1% | 0.01 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.1 | -44 | 177.6 | -72.2 | -70.5 | 0 | 0 | 0 | 111.5 | I129 Y133 I183 G184 V185 V189 M190 A191 L205 T218 | I129-I187 HydrophobicContact CG2-CG2 3.56Å; Y133-I187 HydrophobicContact CD1-CD1 4.01Å; Y133-I187 HydrophobicContact CD1-CG1 3.79Å; Y133-I187 HydrophobicContact CD1-CG2 4.22Å; Y133-I187 HydrophobicContact CD2-CG2 3.63Å; Y133-I187 HydrophobicContact CE1-CD1 3.59Å; Y133-I187 HydrophobicContact CE1-CG1 3.92Å; Y133-I187 HydrophobicContact CE2-CD1 4.34Å; Y133-I187 HydrophobicContact CE2-CG2 3.98Å; Y133-I187 HydrophobicContact CG-CB 4.42Å; Y133-I187 HydrophobicContact CG-CG1 4.17Å; Y133-I187 HydrophobicContact CG-CG2 3.75Å; I183-I187 HydrophobicContact CG2-CG1 4.3Å; I183-I187 WeakPolarHBondContact O-CB 3.36Å; I183-I187 WeakPolarHBondContact O-CG1 3.32Å; I183-I187 PolarHBondContact O-N 2.9Å; G184-I187 PolarHBondContact O-N 3.34Å; V185-I187 VanDerWaalsContact C-N 3.27Å; V185-I187 PolarHBondContact O-N 3.39Å; I187-V189 VanDerWaalsContact C-N 3.31Å; I187-V189 PolarHBondContact O-N 3.48Å; I187-M190 HydrophobicContact CD1-CE 3.95Å; I187-M190 HydrophobicContact CG1-CE 4.41Å; I187-M190 PolarHBondContact O-N 3.1Å; I187-A191 WeakPolarHBondContact O-CB 3.2Å; I187-A191 PolarHBondContact O-N 3.4Å; I187-L205 HydrophobicContact CD1-CD1 3.8Å; I187-L205 HydrophobicContact CD1-CD2 4.28Å; I187-L205 HydrophobicContact CG2-CD2 4.09Å; I187-L205 WeakPolarHBondContact O-CD2 3.48Å; I187-T218 HydrophobicContact CD1-CG2 4.27Å |
| 188 | M | 89.5 | Confident | 87.9 | Confident | 77 Ų | 77 | 62.6 Ų | 62.6 | 38% | 0.379 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -61.8 | -37.8 | 175.4 | -172.1 | -177.9 | 65.2 | 0 | 0 | 112.4 | K126 A130 G184 V185 P186 | K126-M188 HydrophobicContact CB-CG 4.19Å; K126-M188 WeakPolarHBondContact CG-O 3.37Å; K126-M188 PolarHBondContact NZ-O 2.96Å; A130-M188 HydrophobicContact CB-CB 3.86Å; A130-M188 HydrophobicContact CB-CG 4.02Å; A130-M188 HydrophobicContact CB-SD 4.43Å; G184-M188 WeakPolarHBondContact O-CB 3.14Å; G184-M188 PolarHBondContact O-N 3.08Å; V185-M188 WeakPolarHBondContact O-CB 3.27Å; V185-M188 PolarHBondContact O-N 3.35Å; V185-M188 VanDerWaalsContact O-N 3.16Å; P186-M188 PolarHBondContact O-N 3.17Å |
| 189 | V | 91.9 | Very high | 87.1 | Confident | 97 Ų | 97 | 60.6 Ų | 60.6 | 59% | 0.588 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -67.7 | -44.1 | 176.4 | 173.7 | 0 | 0 | 0 | 0 | 110.6 | K126 V185 P186 I187 A191 | K126-V189 PolarHBondContact NZ-O 2.91Å; V185-V189 WeakPolarHBondContact O-CG2 3.14Å; V185-V189 PolarHBondContact O-N 2.99Å; P186-V189 PolarHBondContact O-N 3.35Å; P186-V189 VanDerWaalsContact O-N 3.16Å; I187-V189 VanDerWaalsContact C-N 3.31Å; I187-V189 PolarHBondContact O-N 3.48Å; V189-A191 VanDerWaalsContact C-N 3.33Å; V189-A191 PolarHBondContact O-N 2.96Å |
| 190 | M | 87.6 | Confident | 86.5 | Confident | 37 Ų | 37 | 58.9 Ų | 58.9 | 18% | 0.182 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -73.5 | -19.6 | -179.8 | -68.2 | -175.7 | -67.2 | 0 | 0 | 114.1 | P186 I187 V192 L205 K206 F207 | P186-M190 HydrophobicContact CB-CE 4.13Å; P186-M190 WeakPolarHBondContact O-CE 3.44Å; P186-M190 WeakPolarHBondContact O-CG 3.34Å; P186-M190 PolarHBondContact O-N 3.17Å; I187-M190 HydrophobicContact CD1-CE 3.95Å; I187-M190 HydrophobicContact CG1-CE 4.41Å; I187-M190 PolarHBondContact O-N 3.1Å; M190-V192 PolarHBondContact O-N 3.46Å; M190-L205 HydrophobicContact CB-CD2 4.12Å; M190-K206 PolarHBondContact O-N 3.39Å; M190-F207 HydrophobicContact CE-CD1 4.23Å; M190-F207 HydrophobicContact CE-CE1 3.87Å; M190-F207 HydrophobicContact SD-CD1 3.6Å; M190-F207 VanDerWaalsContact SD-CD1 3.6Å; M190-F207 HydrophobicContact SD-CE1 3.87Å |
| 191 | A | 87.4 | Confident | 86.1 | Confident | 0 Ų | 0 | 62.1 Ų | 62.1 | 0% | 0 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67 | 125.5 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | K126 I129 I187 V189 M204 L205 | K126-A191 HydrophobicContact CB-CB 4.35Å; K126-A191 VanDerWaalsContact CE-O 3.26Å; K126-A191 WeakPolarHBondContact CE-O 3.4Å; K126-A191 HydrophobicContact CG-CB 3.94Å; K126-A191 VanDerWaalsContact CG-O 3.25Å; K126-A191 WeakPolarHBondContact CG-O 3.44Å; K126-A191 PolarHBondContact NZ-O 3.19Å; I129-A191 HydrophobicContact CB-CB 4.17Å; I129-A191 HydrophobicContact CD1-CB 3.93Å; I129-A191 HydrophobicContact CG2-CB 4.21Å; I187-A191 WeakPolarHBondContact O-CB 3.2Å; I187-A191 PolarHBondContact O-N 3.4Å; V189-A191 VanDerWaalsContact C-N 3.33Å; V189-A191 PolarHBondContact O-N 2.96Å; A191-M204 WeakPolarHBondContact CA-O 3.23Å; A191-L205 HydrophobicContact CB-CD2 4.11Å |
| 192 | V | 87.4 | Confident | 85.6 | Confident | 26 Ų | 26 | 61.2 Ų | 61.2 | 16% | 0.158 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 156.5 | -177.5 | -65.1 | 0 | 0 | 0 | 0 | 111.1 | M190 R194 M204 K206 | M190-V192 PolarHBondContact O-N 3.46Å; V192-R194 HydrophobicContact CG2-CG 4.23Å; V192-M204 HydrophobicContact CG2-CG 4.26Å; V192-M204 PolarHBondContact N-O 2.95Å; V192-M204 PolarHBondContact O-N 3.47Å; V192-M204 VanDerWaalsContact O-O 3.04Å; V192-K206 HydrophobicContact CG2-CB 3.65Å |
| 193 | T | 88.1 | Confident | 85.3 | Confident | 37 Ų | 37 | 58.1 Ų | 58.1 | 23% | 0.227 | 33% | 0.331 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.6 | 132.2 | 166.9 | 47.9 | 0 | 0 | 0 | 0 | 109.7 | W118 Q122 C125 I201 T202 | W118-T193 HydrophobicContact CG-CG2 4.47Å; Q122-T193 HydrophobicContact CB-CG2 4.33Å; C125-T193 HydrophobicContact CB-CG2 3.71Å; T193-I201 HydrophobicContact CG2-CG2 4.25Å; T193-T202 CarbonylContact C-O 3.49Å; T193-T202 WeakPolarHBondContact CA-O 3.18Å |
| 194 | R | 86.4 | Confident | 85.1 | Confident | 135 Ų | 135 | 57.4 Ų | 57.4 | 51% | 0.509 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -124.9 | 148.3 | 177.2 | -71.7 | -68.5 | -173.2 | 177.1 | -0.1 | 109.7 | V192 I201 T202 M204 | V192-R194 HydrophobicContact CG2-CG 4.23Å; R194-I201 CarbonylContact O-C 3.6Å; R194-I201 WeakPolarHBondContact O-CA 3.17Å; R194-T202 PolarHBondContact N-O 2.65Å; R194-T202 PolarHBondContact O-N 2.8Å; R194-T202 PolarHBondContact O-OG1 2.73Å; R194-M204 HydrophobicContact CB-SD 4.03Å; R194-M204 HydrophobicContact CG-CG 4.36Å; R194-M204 HydrophobicContact CG-SD 3.83Å |
| 195 | V | 85.1 | Confident | 84.9 | Confident | 106 Ų | 106 | 57.7 Ų | 57.7 | 64% | 0.642 | 33% | 0.329 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.5 | 127.3 | 172.1 | -172.9 | 0 | 0 | 0 | 0 | 106.8 | N200 I201 | V195-N200 CarbonylContact C-O 3.57Å; V195-N200 WeakPolarHBondContact CA-O 3.4Å; V195-I201 HydrophobicContact CG2-CG1 4.42Å |
| 196 | T | 79.1 | Confident | 84.7 | Confident | 46 Ų | 46 | 57.9 Ų | 57.9 | 28% | 0.282 | 32% | 0.324 | S | S | . | . | trans | -78.1 | 165.7 | 174.8 | 64 | 0 | 0 | 0 | 0 | 110.5 | A198 G199 N200 T202 | T196-A198 PolarHBondContact O-N 2.87Å; T196-G199 PolarHBondContact O-N 3.35Å; T196-N200 PolarHBondContact N-O 3.3Å; T196-N200 PolarHBondContact OG1-N 2.85Å; T196-N200 PolarHBondContact OG1-O 3.43Å; T196-N200 VanDerWaalsContact OG1-O 3.12Å; T196-T202 HydrophobicContact CG2-CG2 3.51Å | ||
| 197 | E | 76.7 | Confident | 84.5 | Confident | 212 Ų | 212 | 55.5 Ų | 55.5 | 99% | 0.991 | 31% | 0.308 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -27.7 | 176.3 | -61.6 | -174.9 | 172.1 | 0 | 0 | 112.6 | G199 | E197-G199 PolarHBondContact O-N 3.5Š|
| 198 | A | 75.2 | Confident | 84.5 | Confident | 83 Ų | 83 | 58.8 Ų | 58.8 | 69% | 0.686 | 33% | 0.329 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | 3.5 | 173.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | T196 N200 | T196-A198 PolarHBondContact O-N 2.87Å; A198-N200 VanDerWaalsContact C-N 3.3Å; A198-N200 PolarHBondContact O-N 2.8Å |
| 199 | G | 78.8 | Confident | 84.3 | Confident | 51 Ų | 51 | 61.1 Ų | 61.1 | 53% | 0.526 | 34% | 0.343 | S | S | . | . | S | Bend | trans | 80.6 | 1.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T196 E197 | T196-G199 PolarHBondContact O-N 3.35Å; E197-G199 PolarHBondContact O-N 3.5Å |
| 200 | N | 82.1 | Confident | 84.2 | Confident | 54 Ų | 54 | 59.6 Ų | 59.6 | 29% | 0.289 | 34% | 0.335 | S | S | . | . | trans | -84.3 | 141.2 | 179.4 | -70 | -18.1 | 0 | 0 | 0 | 111.1 | N116 V195 T196 A198 | N116-N200 PolarHBondContact O-ND2 3.33Å; V195-N200 CarbonylContact C-O 3.57Å; V195-N200 WeakPolarHBondContact CA-O 3.4Å; T196-N200 PolarHBondContact N-O 3.3Å; T196-N200 PolarHBondContact OG1-N 2.85Å; T196-N200 PolarHBondContact OG1-O 3.43Å; T196-N200 VanDerWaalsContact OG1-O 3.12Å; A198-N200 VanDerWaalsContact C-N 3.3Å; A198-N200 PolarHBondContact O-N 2.8Å | ||
| 201 | I | 84.7 | Confident | 83.8 | Confident | 68 Ų | 68 | 60.4 Ų | 60.4 | 35% | 0.349 | 34% | 0.34 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.9 | 129.7 | 172.5 | -55 | 173.6 | 0 | 0 | 0 | 109.1 | T117 W118 T193 R194 V195 | T117-I201 CarbonylContact C-O 3.09Å; T117-I201 WeakPolarHBondContact CA-O 3.43Å; T117-I201 PolarHBondContact OG1-N 2.95Å; T117-I201 PolarHBondContact OG1-O 3.09Å; T117-I201 VanDerWaalsContact OG1-O 3.06Å; W118-I201 HydrophobicContact CB-CG2 4.21Å; W118-I201 WeakPolarHBondContact CB-O 3.22Å; W118-I201 PolarHBondContact N-O 3.47Å; T193-I201 HydrophobicContact CG2-CG2 4.25Å; R194-I201 CarbonylContact O-C 3.6Å; R194-I201 WeakPolarHBondContact O-CA 3.17Å; V195-I201 HydrophobicContact CG2-CG1 4.42Å |
| 202 | T | 81.9 | Confident | 83.5 | Confident | 16 Ų | 16 | 66.2 Ų | 66.2 | 10% | 0.098 | 36% | 0.362 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 149.9 | 172.9 | 54.6 | 0 | 0 | 0 | 0 | 110.8 | T27 T193 R194 T196 | T27-T202 HydrophobicContact CG2-CG2 4.11Å; T193-T202 CarbonylContact C-O 3.49Å; T193-T202 WeakPolarHBondContact CA-O 3.18Å; R194-T202 PolarHBondContact N-O 2.65Å; R194-T202 PolarHBondContact O-N 2.8Å; R194-T202 PolarHBondContact O-OG1 2.73Å; T196-T202 HydrophobicContact CG2-CG2 3.51Å |
| 203 | C | 85.8 | Confident | 83.4 | Confident | 4 Ų | 4 | 70.4 Ų | 70.4 | 3% | 0.027 | 38% | 0.376 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 115.3 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 108.6 | W118 C125 I129 | W118-C203 HydrophobicContact CB-CB 4.29Å; W118-C203 HydrophobicContact CD2-CB 3.78Å; W118-C203 HydrophobicContact CE3-CB 4.11Å; W118-C203 HydrophobicContact CG-CB 3.85Å; C125-C203 WeakPolarHBondContact CA-SG 3.37Å; C125-C203 HydrophobicContact CB-CB 3.8Å; C125-C203 WeakPolarHBondContact CB-SG 3.46Å; C125-C203 WeakPolarHBondContact SG-CA 3.19Å; C125-C203 WeakPolarHBondContact SG-CB 3.48Å; C125-C203 CovalentContact SG-SG 2.02Å; C125-C203 PolarHBondContact SG-SG 3.35Å; I129-C203 WeakPolarHBondContact CD1-SG 3.22Å |
| 204 | M | 82.9 | Confident | 83.2 | Confident | 31 Ų | 31 | 74.2 Ų | 74.2 | 15% | 0.153 | 39% | 0.386 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -144.4 | 166.1 | -170 | 66.8 | -178.3 | -68.7 | 0 | 0 | 112.8 | N25 V26 A191 V192 R194 | N25-M204 HydrophobicContact CB-CE 4.43Å; N25-M204 VanDerWaalsContact OD1-CB 3.31Å; N25-M204 WeakPolarHBondContact OD1-CB 3.44Å; N25-M204 WeakPolarHBondContact OD1-CE 3.31Å; N25-M204 PolarHBondContact OD1-SD 2.86Å; V26-M204 HydrophobicContact CB-CB 4.45Å; A191-M204 WeakPolarHBondContact CA-O 3.23Å; V192-M204 HydrophobicContact CG2-CG 4.26Å; V192-M204 PolarHBondContact N-O 2.95Å; V192-M204 PolarHBondContact O-N 3.47Å; V192-M204 VanDerWaalsContact O-O 3.04Å; R194-M204 HydrophobicContact CB-SD 4.03Å; R194-M204 HydrophobicContact CG-CG 4.36Å; R194-M204 HydrophobicContact CG-SD 3.83Å |
| 205 | L | 83.6 | Confident | 82.9 | Confident | 5 Ų | 5 | 68.5 Ų | 68.5 | 3% | 0.026 | 37% | 0.366 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.7 | 129.6 | 168 | -69 | 173.7 | 0 | 0 | 0 | 109.8 | V26 I129 Y133 I187 M190 A191 F207 | V26-L205 HydrophobicContact CG2-CB 4.21Å; V26-L205 HydrophobicContact CG2-CD1 4.14Å; V26-L205 HydrophobicContact CG2-CG 4.19Å; I129-L205 HydrophobicContact CG2-CD2 3.9Å; I129-L205 HydrophobicContact CG2-CG 4.38Å; Y133-L205 HydrophobicContact CE2-CD1 4.26Å; I187-L205 HydrophobicContact CD1-CD1 3.8Å; I187-L205 HydrophobicContact CD1-CD2 4.28Å; I187-L205 HydrophobicContact CG2-CD2 4.09Å; I187-L205 WeakPolarHBondContact O-CD2 3.48Å; M190-L205 HydrophobicContact CB-CD2 4.12Å; A191-L205 HydrophobicContact CB-CD2 4.11Å; L205-F207 HydrophobicContact CB-CD2 4.47Å; L205-F207 HydrophobicContact CB-CE2 3.94Å; L205-F207 HydrophobicContact CB-CZ 4.29Å; L205-F207 HydrophobicContact CD1-CE2 4.33Å; L205-F207 HydrophobicContact CD1-CZ 4.02Å |
| 206 | K | 86.4 | Confident | 82.8 | Confident | 68 Ų | 68 | 65.5 Ų | 65.5 | 30% | 0.296 | 35% | 0.348 | S | S | . | . | trans | -105.7 | 108.4 | 167.8 | 177.3 | 55.9 | -179.2 | 138.1 | 0 | 108.9 | M190 V192 D209 | M190-K206 PolarHBondContact O-N 3.39Å; V192-K206 HydrophobicContact CG2-CB 3.65Å; K206-D209 IonicContact NZ-OD1 3.56Å; K206-D209 PolarHBondContact NZ-OD1 3.29Å | ||
| 207 | F | 86.6 | Confident | 83.1 | Confident | 11 Ų | 11 | 65.5 Ų | 65.5 | 5% | 0.048 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -79.3 | 153 | 173.9 | -69 | -78 | 0 | 0 | 0 | 111.7 | M190 L205 D211 W214 D215 T218 | M190-F207 HydrophobicContact CE-CD1 4.23Å; M190-F207 HydrophobicContact CE-CE1 3.87Å; M190-F207 HydrophobicContact SD-CD1 3.6Å; M190-F207 VanDerWaalsContact SD-CD1 3.6Å; M190-F207 HydrophobicContact SD-CE1 3.87Å; L205-F207 HydrophobicContact CB-CD2 4.47Å; L205-F207 HydrophobicContact CB-CE2 3.94Å; L205-F207 HydrophobicContact CB-CZ 4.29Å; L205-F207 HydrophobicContact CD1-CE2 4.33Å; L205-F207 HydrophobicContact CD1-CZ 4.02Å; F207-D211 HydrophobicContact CB-CB 4.17Å; F207-W214 HydrophobicContact CB-CB 3.99Å; F207-W214 HydrophobicContact CD1-CB 3.85Å; F207-W214 HydrophobicContact CG-CB 4.17Å; F207-D215 HydrophobicContact CD2-CB 3.67Å; F207-D215 HydrophobicContact CE2-CB 3.7Å; F207-D215 WeakPolarHBondContact CE2-OD1 3.5Å; F207-D215 HydrophobicContact CG-CB 4.31Å; F207-D215 HydrophobicContact CZ-CB 4.37Å; F207-T218 HydrophobicContact CE1-CG2 4.35Å; F207-T218 WeakPolarHBondContact CE1-OG1 3.49Å; F207-T218 HydrophobicContact CZ-CG2 4.29Å |
| 208 | P | 88.3 | Confident | 83.5 | Confident | 70 Ų | 70 | 56.7 Ų | 56.7 | 46% | 0.455 | 31% | 0.309 | S | S | . | . | P | Polyproline II helix | trans | -58.4 | 150.9 | 170 | -19.4 | 31.6 | 0 | 0 | 0 | 111.2 | P210 D211 | P208-P210 CarbonylContact O-C 3.16Å; P208-D211 VanDerWaalsContact O-CA 3.31Å; P208-D211 WeakPolarHBondContact O-CA 3.26Å; P208-D211 PolarHBondContact O-N 3Å |
| 209 | D | 84.6 | Confident | 83.8 | Confident | 127 Ų | 127 | 54.5 Ų | 54.5 | 68% | 0.679 | 28% | 0.283 | S | S | * | . | S | Bend | trans | -75.7 | 135.9 | 177.9 | -56 | -40.5 | 0 | 0 | 0 | 110.4 | K206 | K206-D209 IonicContact NZ-OD1 3.56Å; K206-D209 PolarHBondContact NZ-OD1 3.29Å |
| 210 | P | 89.3 | Confident | 84.1 | Confident | 64 Ų | 64 | 56 Ų | 56 | 42% | 0.416 | 28% | 0.279 | S | S | . | . | S | Bend | cis | -72.9 | 126.2 | -4.9 | 27.6 | -31 | 0 | 0 | 0 | 112.6 | P208 Y213 | P208-P210 CarbonylContact O-C 3.16Å; P210-Y213 PolarHBondContact O-N 2.97Å |
| 211 | D | 79.8 | Confident | 84.3 | Confident | 54 Ų | 54 | 55.8 Ų | 55.8 | 29% | 0.289 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -66 | -41.8 | -173.1 | 55.4 | -5.9 | 0 | 0 | 0 | 113.3 | F207 P208 Y213 W214 D215 | F207-D211 HydrophobicContact CB-CB 4.17Å; P208-D211 VanDerWaalsContact O-CA 3.31Å; P208-D211 WeakPolarHBondContact O-CA 3.26Å; P208-D211 PolarHBondContact O-N 3Å; D211-Y213 PolarHBondContact O-N 2.92Å; D211-W214 PolarHBondContact O-N 3.34Å; D211-D215 VanDerWaalsContact O-CB 3.24Å; D211-D215 WeakPolarHBondContact O-CB 3.33Å; D211-D215 PolarHBondContact O-N 2.87Å |
| 212 | W | 81.4 | Confident | 84.3 | Confident | 122 Ų | 122 | 53.2 Ų | 53.2 | 46% | 0.462 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -57.5 | -34.8 | 178.3 | 65.4 | -94.6 | 0 | 0 | 0 | 113.1 | V21 T216 | V21-W212 HydrophobicContact CB-CB 4.27Å; V21-W212 HydrophobicContact CB-CG 4.33Å; V21-W212 HydrophobicContact CG1-CB 3.62Å; V21-W212 HydrophobicContact CG1-CG 4.13Å; W212-T216 VanDerWaalsContact O-CB 3.24Å; W212-T216 WeakPolarHBondContact O-CB 3.46Å; W212-T216 PolarHBondContact O-N 2.8Å; W212-T216 PolarHBondContact O-OG1 3.24Å |
| 213 | Y | 84.7 | Confident | 84.5 | Confident | 115 Ų | 115 | 55.3 Ų | 55.3 | 45% | 0.451 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -69.2 | -53.7 | -179.7 | 174.8 | -97.8 | 0 | 0 | 0 | 110.5 | P210 D211 D215 T216 V217 | P210-Y213 PolarHBondContact O-N 2.97Å; D211-Y213 PolarHBondContact O-N 2.92Å; Y213-D215 VanDerWaalsContact C-N 3.34Å; Y213-D215 PolarHBondContact O-N 3.47Å; Y213-T216 PolarHBondContact O-N 2.96Å; Y213-V217 HydrophobicContact CD1-CG2 4.31Å; Y213-V217 HydrophobicContact CD2-CG2 4.45Å; Y213-V217 HydrophobicContact CE1-CG2 3.94Å; Y213-V217 HydrophobicContact CE2-CG2 4.09Å; Y213-V217 WeakPolarHBondContact O-CB 3.29Å; Y213-V217 VanDerWaalsContact O-CG2 3.28Å; Y213-V217 WeakPolarHBondContact O-CG2 3.31Å; Y213-V217 PolarHBondContact O-N 2.89Å |
| 214 | W | 84.9 | Confident | 84.6 | Confident | 116 Ų | 116 | 58.3 Ų | 58.3 | 44% | 0.439 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -68.1 | -33.9 | -178.1 | -72.4 | 106.8 | 0 | 0 | 0 | 112.8 | F207 D211 T218 | F207-W214 HydrophobicContact CB-CB 3.99Å; F207-W214 HydrophobicContact CD1-CB 3.85Å; F207-W214 HydrophobicContact CG-CB 4.17Å; D211-W214 PolarHBondContact O-N 3.34Å; W214-T218 VanDerWaalsContact O-CB 3.29Å; W214-T218 WeakPolarHBondContact O-CB 3.39Å; W214-T218 PolarHBondContact O-N 3.09Å; W214-T218 PolarHBondContact O-OG1 3.29Å |
| 215 | D | 79.9 | Confident | 84.8 | Confident | 16 Ų | 16 | 61.6 Ų | 61.6 | 9% | 0.086 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -61.6 | -50.1 | 170.8 | 176.7 | 59.4 | 0 | 0 | 0 | 111.1 | F24 F207 D211 Y213 V217 T218 K219 | F24-D215 WeakPolarHBondContact CB-OD2 3.47Å; F207-D215 HydrophobicContact CD2-CB 3.67Å; F207-D215 HydrophobicContact CE2-CB 3.7Å; F207-D215 WeakPolarHBondContact CE2-OD1 3.5Å; F207-D215 HydrophobicContact CG-CB 4.31Å; F207-D215 HydrophobicContact CZ-CB 4.37Å; D211-D215 VanDerWaalsContact O-CB 3.24Å; D211-D215 WeakPolarHBondContact O-CB 3.33Å; D211-D215 PolarHBondContact O-N 2.87Å; Y213-D215 VanDerWaalsContact C-N 3.34Å; Y213-D215 PolarHBondContact O-N 3.47Å; D215-V217 PolarHBondContact O-N 3.48Å; D215-T218 PolarHBondContact O-N 3.39Å; D215-K219 VanDerWaalsContact O-CG 3.31Å; D215-K219 WeakPolarHBondContact O-CG 3.43Å; D215-K219 PolarHBondContact O-N 2.7Å; D215-K219 VanDerWaalsContact OD1-CE 3.26Å; D215-K219 WeakPolarHBondContact OD1-CE 3.32Å; D215-K219 IonicContact OD1-NZ 2.91Å; D215-K219 WeakPolarHBondContact OD2-CE 3.22Å; D215-K219 IonicContact OD2-NZ 3.82Å; D215-K219 PolarHBondContact OD2-NZ 2.8Å |
| 216 | T | 81.9 | Confident | 84.9 | Confident | 42 Ų | 42 | 61.4 Ų | 61.4 | 26% | 0.258 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -61.6 | -45.6 | 178.3 | -60.2 | 0 | 0 | 0 | 0 | 111.8 | W212 Y213 T218 K219 I220 | W212-T216 VanDerWaalsContact O-CB 3.24Å; W212-T216 WeakPolarHBondContact O-CB 3.46Å; W212-T216 PolarHBondContact O-N 2.8Å; W212-T216 PolarHBondContact O-OG1 3.24Å; Y213-T216 PolarHBondContact O-N 2.96Å; T216-T218 VanDerWaalsContact C-N 3.35Å; T216-T218 PolarHBondContact O-N 3.23Å; T216-K219 PolarHBondContact O-N 3.46Å; T216-I220 HydrophobicContact CG2-CD1 3.81Å; T216-I220 HydrophobicContact CG2-CG1 4.43Å; T216-I220 VanDerWaalsContact O-CG1 3.32Å; T216-I220 WeakPolarHBondContact O-CG1 3.4Å; T216-I220 PolarHBondContact O-N 3.46Å |
| 217 | V | 86.1 | Confident | 84.8 | Confident | 47 Ų | 47 | 59.7 Ų | 59.7 | 29% | 0.285 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -59.4 | -46.9 | 176.3 | 169.5 | 0 | 0 | 0 | 0 | 110.5 | Y213 D215 K219 I220 C221 | Y213-V217 HydrophobicContact CD1-CG2 4.31Å; Y213-V217 HydrophobicContact CD2-CG2 4.45Å; Y213-V217 HydrophobicContact CE1-CG2 3.94Å; Y213-V217 HydrophobicContact CE2-CG2 4.09Å; Y213-V217 WeakPolarHBondContact O-CB 3.29Å; Y213-V217 VanDerWaalsContact O-CG2 3.28Å; Y213-V217 WeakPolarHBondContact O-CG2 3.31Å; Y213-V217 PolarHBondContact O-N 2.89Å; D215-V217 PolarHBondContact O-N 3.48Å; V217-K219 VanDerWaalsContact C-N 3.34Å; V217-K219 PolarHBondContact O-N 3.41Å; V217-I220 PolarHBondContact O-N 2.96Å; V217-C221 WeakPolarHBondContact O-CB 3.44Å; V217-C221 PolarHBondContact O-N 2.82Å; V217-C221 PolarHBondContact O-SG 2.89Å |
| 218 | T | 84.7 | Confident | 84.9 | Confident | 27 Ų | 27 | 61.7 Ų | 61.7 | 17% | 0.166 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.1 | -44.6 | 178.7 | -60.5 | 0 | 0 | 0 | 0 | 111.2 | I187 F207 W214 D215 T216 C221 V222 | I187-T218 HydrophobicContact CD1-CG2 4.27Å; F207-T218 HydrophobicContact CE1-CG2 4.35Å; F207-T218 WeakPolarHBondContact CE1-OG1 3.49Å; F207-T218 HydrophobicContact CZ-CG2 4.29Å; W214-T218 VanDerWaalsContact O-CB 3.29Å; W214-T218 WeakPolarHBondContact O-CB 3.39Å; W214-T218 PolarHBondContact O-N 3.09Å; W214-T218 PolarHBondContact O-OG1 3.29Å; D215-T218 PolarHBondContact O-N 3.39Å; T216-T218 VanDerWaalsContact C-N 3.35Å; T216-T218 PolarHBondContact O-N 3.23Å; T218-C221 PolarHBondContact O-N 3.3Å; T218-V222 HydrophobicContact CG2-CG2 4.48Å; T218-V222 WeakPolarHBondContact O-CB 3.34Å; T218-V222 VanDerWaalsContact O-CG2 3.26Å; T218-V222 WeakPolarHBondContact O-CG2 3.35Å; T218-V222 PolarHBondContact O-N 3.25Å |
| 219 | K | 80.9 | Confident | 85 | Confident | 36 Ų | 36 | 61.6 Ų | 61.6 | 16% | 0.157 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -45.5 | 177 | -72.7 | 166.4 | 174.4 | 172.3 | 0 | 112.4 | D215 T216 V217 V222 F223 I286 T290 | D215-K219 VanDerWaalsContact O-CG 3.31Å; D215-K219 WeakPolarHBondContact O-CG 3.43Å; D215-K219 PolarHBondContact O-N 2.7Å; D215-K219 VanDerWaalsContact OD1-CE 3.26Å; D215-K219 WeakPolarHBondContact OD1-CE 3.32Å; D215-K219 IonicContact OD1-NZ 2.91Å; D215-K219 WeakPolarHBondContact OD2-CE 3.22Å; D215-K219 IonicContact OD2-NZ 3.82Å; D215-K219 PolarHBondContact OD2-NZ 2.8Å; T216-K219 PolarHBondContact O-N 3.46Å; V217-K219 VanDerWaalsContact C-N 3.34Å; V217-K219 PolarHBondContact O-N 3.41Å; K219-V222 PolarHBondContact O-N 2.73Å; K219-F223 WeakPolarHBondContact O-CB 3.46Å; K219-F223 PolarHBondContact O-N 2.81Å; K219-I286 HydrophobicContact CB-CG2 4.44Å; K219-I286 HydrophobicContact CD-CG2 4.44Å; K219-I286 HydrophobicContact CG-CG2 4.23Å; K219-T290 HydrophobicContact CD-CG2 4.44Å |
| 220 | I | 85.1 | Confident | 85.2 | Confident | 84 Ų | 84 | 55.7 Ų | 55.7 | 43% | 0.431 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -63 | -45.3 | 177.3 | -68.8 | 169.9 | 0 | 0 | 0 | 110.4 | T216 V217 V222 F223 I224 | T216-I220 HydrophobicContact CG2-CD1 3.81Å; T216-I220 HydrophobicContact CG2-CG1 4.43Å; T216-I220 VanDerWaalsContact O-CG1 3.32Å; T216-I220 WeakPolarHBondContact O-CG1 3.4Å; T216-I220 PolarHBondContact O-N 3.46Å; V217-I220 PolarHBondContact O-N 2.96Å; I220-V222 VanDerWaalsContact C-N 3.35Å; I220-V222 PolarHBondContact O-N 2.85Å; I220-F223 PolarHBondContact O-N 3Å; I220-I224 HydrophobicContact CG2-CD1 3.73Å; I220-I224 HydrophobicContact CG2-CG1 4.43Å; I220-I224 WeakPolarHBondContact O-CG1 3.39Å; I220-I224 PolarHBondContact O-N 2.88Å |
| 221 | C | 86.9 | Confident | 85 | Confident | 49 Ų | 49 | 53.9 Ų | 53.9 | 33% | 0.331 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 176.1 | -71.6 | 0 | 0 | 0 | 0 | 111.6 | V217 T218 F223 I224 F225 | V217-C221 WeakPolarHBondContact O-CB 3.44Å; V217-C221 PolarHBondContact O-N 2.82Å; V217-C221 PolarHBondContact O-SG 2.89Å; T218-C221 PolarHBondContact O-N 3.3Å; C221-F223 PolarHBondContact O-N 2.8Å; C221-I224 PolarHBondContact O-N 3.09Å; C221-F225 HydrophobicContact CB-CD2 4.2Å; C221-F225 HydrophobicContact CB-CE2 4.43Å; C221-F225 WeakPolarHBondContact O-CB 3.2Å; C221-F225 WeakPolarHBondContact O-CD2 3.44Å; C221-F225 PolarHBondContact O-N 3.47Å |
| 222 | V | 85.4 | Confident | 85.6 | Confident | 13 Ų | 13 | 56.8 Ų | 56.8 | 8% | 0.079 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -58.3 | -48.5 | 174.5 | 162.7 | 0 | 0 | 0 | 0 | 110.8 | Y133 M136 F137 T218 K219 I220 I224 A226 | Y133-V222 HydrophobicContact CE1-CG2 4.26Å; M136-V222 HydrophobicContact CE-CB 4.12Å; M136-V222 HydrophobicContact CE-CG1 3.36Å; M136-V222 HydrophobicContact CE-CG2 3.74Å; M136-V222 HydrophobicContact SD-CG1 3.79Å; F137-V222 HydrophobicContact CE2-CG2 4.44Å; F137-V222 HydrophobicContact CZ-CG2 3.94Å; T218-V222 HydrophobicContact CG2-CG2 4.48Å; T218-V222 WeakPolarHBondContact O-CB 3.34Å; T218-V222 VanDerWaalsContact O-CG2 3.26Å; T218-V222 WeakPolarHBondContact O-CG2 3.35Å; T218-V222 PolarHBondContact O-N 3.25Å; K219-V222 PolarHBondContact O-N 2.73Å; I220-V222 VanDerWaalsContact C-N 3.35Å; I220-V222 PolarHBondContact O-N 2.85Å; V222-I224 VanDerWaalsContact C-N 3.34Å; V222-I224 PolarHBondContact O-N 3.35Å; V222-A226 HydrophobicContact CG1-CB 4.35Å; V222-A226 WeakPolarHBondContact O-CA 3.32Å; V222-A226 WeakPolarHBondContact O-CB 3.13Å; V222-A226 PolarHBondContact O-N 3.37Å |
| 223 | F | 84.7 | Confident | 86 | Confident | 60 Ų | 60 | 53.6 Ų | 53.6 | 26% | 0.263 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -60 | -43.8 | 179.1 | 179 | -109.7 | 0 | 0 | 0 | 112.2 | K219 I220 C221 F227 V228 Q283 I287 | K219-F223 WeakPolarHBondContact O-CB 3.46Å; K219-F223 PolarHBondContact O-N 2.81Å; I220-F223 PolarHBondContact O-N 3Å; C221-F223 PolarHBondContact O-N 2.8Å; F223-F227 HydrophobicContact CD2-CB 4.43Å; F223-F227 HydrophobicContact CD2-CD1 4.16Å; F223-F227 AromaticContact CE2-CD1 3.6Å; F223-F227 HydrophobicContact CE2-CD1 3.6Å; F223-F227 HydrophobicContact CE2-CE1 4.12Å; F223-F227 HydrophobicContact CE2-CG 4.46Å; F223-F227 HydrophobicContact CZ-CD1 4.2Å; F223-F227 VanDerWaalsContact O-CB 3.28Å; F223-F227 WeakPolarHBondContact O-CB 3.17Å; F223-F227 PolarHBondContact O-N 2.91Å; F223-V228 HydrophobicContact CD1-CG2 3.89Å; F223-V228 HydrophobicContact CE1-CG2 3.45Å; F223-V228 VanDerWaalsContact CE1-CG2 3.45Å; F223-V228 HydrophobicContact CE2-CG2 4.31Å; F223-V228 HydrophobicContact CG-CG2 4.49Å; F223-V228 HydrophobicContact CZ-CG2 3.69Å; F223-V228 PolarHBondContact O-N 3.16Å; F223-Q283 HydrophobicContact CD2-CB 4.24Å; F223-Q283 HydrophobicContact CE2-CB 4.38Å; F223-I287 HydrophobicContact CD1-CD1 4.23Å; F223-I287 HydrophobicContact CD2-CD1 3.6Å; F223-I287 HydrophobicContact CD2-CG1 4.45Å; F223-I287 HydrophobicContact CE1-CD1 4.05Å; F223-I287 HydrophobicContact CE2-CD1 3.41Å; F223-I287 VanDerWaalsContact CE2-CD1 3.41Å; F223-I287 HydrophobicContact CG-CD1 4.01Å; F223-I287 HydrophobicContact CZ-CD1 3.65Å |
| 224 | I | 88.3 | Confident | 86.1 | Confident | 67 Ų | 67 | 48.5 Ų | 48.5 | 34% | 0.344 | 25% | 0.251 | S | S | . | . | I | π-helix | trans | -68.3 | -53 | -180 | -66.7 | 169.7 | 0 | 0 | 0 | 111 | I220 C221 V222 V228 V229 | I220-I224 HydrophobicContact CG2-CD1 3.73Å; I220-I224 HydrophobicContact CG2-CG1 4.43Å; I220-I224 WeakPolarHBondContact O-CG1 3.39Å; I220-I224 PolarHBondContact O-N 2.88Å; C221-I224 PolarHBondContact O-N 3.09Å; V222-I224 VanDerWaalsContact C-N 3.34Å; V222-I224 PolarHBondContact O-N 3.35Å; I224-V228 PolarHBondContact O-N 3.04Å; I224-V229 HydrophobicContact CG2-CG2 3.92Å; I224-V229 WeakPolarHBondContact O-CB 3.02Å; I224-V229 PolarHBondContact O-N 3.49Å |
| 225 | F | 87.5 | Confident | 86.1 | Confident | 100 Ų | 100 | 46.6 Ų | 46.6 | 44% | 0.439 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -85.3 | -29.4 | -169.7 | -67 | -64 | 0 | 0 | 0 | 114.1 | F137 C221 P230 | F137-F225 HydrophobicContact CE1-CB 4.24Å; C221-F225 HydrophobicContact CB-CD2 4.2Å; C221-F225 HydrophobicContact CB-CE2 4.43Å; C221-F225 WeakPolarHBondContact O-CB 3.2Å; C221-F225 WeakPolarHBondContact O-CD2 3.44Å; C221-F225 PolarHBondContact O-N 3.47Å; F225-P230 WeakPolarHBondContact O-CD 3.44Å; F225-P230 WeakPolarHBondContact O-CG 3.5Å |
| 226 | A | 84.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 49.7 Ų | 49.7 | 2% | 0.017 | 27% | 0.272 | C | S | . | . | I | π-helix | trans | -95.4 | -11.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | M136 F137 I140 V222 | M136-A226 HydrophobicContact CE-CB 3.9Å; M136-A226 HydrophobicContact CG-CB 3.98Å; M136-A226 HydrophobicContact SD-CB 4.06Å; F137-A226 HydrophobicContact CD1-CB 4.21Å; F137-A226 HydrophobicContact CE1-CB 3.89Å; F137-A226 HydrophobicContact CZ-CB 4.48Å; I140-A226 HydrophobicContact CG2-CB 4.48Å; V222-A226 HydrophobicContact CG1-CB 4.35Å; V222-A226 WeakPolarHBondContact O-CA 3.32Å; V222-A226 WeakPolarHBondContact O-CB 3.13Å; V222-A226 PolarHBondContact O-N 3.37Å |
| 227 | F | 84.8 | Confident | 86.9 | Confident | 31 Ų | 31 | 48.3 Ų | 48.3 | 14% | 0.136 | 26% | 0.264 | C | S | . | . | I | π-helix | trans | -129.6 | -67.1 | 179.5 | -174.3 | -104.1 | 0 | 0 | 0 | 113.2 | F223 P230 V231 F275 W279 T280 Q283 | F223-F227 HydrophobicContact CD2-CB 4.43Å; F223-F227 HydrophobicContact CD2-CD1 4.16Å; F223-F227 AromaticContact CE2-CD1 3.6Å; F223-F227 HydrophobicContact CE2-CD1 3.6Å; F223-F227 HydrophobicContact CE2-CE1 4.12Å; F223-F227 HydrophobicContact CE2-CG 4.46Å; F223-F227 HydrophobicContact CZ-CD1 4.2Å; F223-F227 VanDerWaalsContact O-CB 3.28Å; F223-F227 WeakPolarHBondContact O-CB 3.17Å; F223-F227 PolarHBondContact O-N 2.91Å; F227-P230 WeakPolarHBondContact O-CD 3.17Å; F227-V231 HydrophobicContact CD2-CG2 4.19Å; F227-V231 HydrophobicContact CE2-CG2 4.17Å; F227-V231 VanDerWaalsContact O-CB 3.28Å; F227-V231 WeakPolarHBondContact O-CB 3.48Å; F227-V231 WeakPolarHBondContact O-CG2 3.16Å; F227-V231 PolarHBondContact O-N 3.08Å; F227-F275 HydrophobicContact CD2-CE1 4.35Å; F227-W279 HydrophobicContact CD2-CB 4.49Å; F227-T280 HydrophobicContact CZ-CG2 4.43Å; F227-T280 WeakPolarHBondContact CZ-OG1 3.45Å; F227-Q283 HydrophobicContact CB-CG 4.16Å; F227-Q283 HydrophobicContact CD2-CG 4.07Å; F227-Q283 HydrophobicContact CG-CG 4.08Å |
| 228 | V | 88.6 | Confident | 86.6 | Confident | 54 Ų | 54 | 47 Ų | 47 | 33% | 0.327 | 25% | 0.254 | S | S | . | . | I | π-helix | trans | -61 | -57 | -170.4 | 178.2 | 0 | 0 | 0 | 0 | 112.5 | F223 I224 V231 M232 | F223-V228 HydrophobicContact CD1-CG2 3.89Å; F223-V228 HydrophobicContact CE1-CG2 3.45Å; F223-V228 VanDerWaalsContact CE1-CG2 3.45Å; F223-V228 HydrophobicContact CE2-CG2 4.31Å; F223-V228 HydrophobicContact CG-CG2 4.49Å; F223-V228 HydrophobicContact CZ-CG2 3.69Å; F223-V228 PolarHBondContact O-N 3.16Å; I224-V228 PolarHBondContact O-N 3.04Å; V228-V231 PolarHBondContact O-N 3.11Å; V228-M232 HydrophobicContact CG1-CG 4.37Å; V228-M232 WeakPolarHBondContact O-CB 2.99Å; V228-M232 WeakPolarHBondContact O-CG 3.44Å; V228-M232 PolarHBondContact O-N 3.28Å |
| 229 | V | 90.3 | Very high | 86.6 | Confident | 68 Ų | 68 | 47.2 Ų | 47.2 | 41% | 0.412 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -60.1 | -49.8 | -177.5 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | I224 V231 M232 V233 | I224-V229 HydrophobicContact CG2-CG2 3.92Å; I224-V229 WeakPolarHBondContact O-CB 3.02Å; I224-V229 PolarHBondContact O-N 3.49Å; V229-V231 PolarHBondContact O-N 3.08Å; V229-M232 PolarHBondContact O-N 3.05Å; V229-V233 WeakPolarHBondContact O-CG2 3.21Å; V229-V233 PolarHBondContact O-N 3.07Å |
| 230 | P | 88.5 | Confident | 86.9 | Confident | 3 Ų | 3 | 49 Ų | 49 | 2% | 0.019 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.3 | -46 | 175.6 | -29.4 | 37 | 0 | 0 | 0 | 114.7 | I140 T144 F225 F227 M232 V233 I234 | I140-P230 HydrophobicContact CD1-CB 3.43Å; I140-P230 VanDerWaalsContact CD1-CB 3.43Å; I140-P230 HydrophobicContact CD1-CG 4.2Å; I140-P230 HydrophobicContact CG1-CB 3.22Å; I140-P230 HydrophobicContact CG1-CG 3.41Å; I140-P230 VanDerWaalsContact CG1-CG 3.41Å; I140-P230 HydrophobicContact CG2-CG 4.36Å; T144-P230 WeakPolarHBondContact OG1-CB 3.17Å; F225-P230 WeakPolarHBondContact O-CD 3.44Å; F225-P230 WeakPolarHBondContact O-CG 3.5Å; F227-P230 WeakPolarHBondContact O-CD 3.17Å; P230-M232 VanDerWaalsContact C-N 3.31Å; P230-M232 PolarHBondContact O-N 3.2Å; P230-V233 PolarHBondContact O-N 2.02Å; P230-I234 VanDerWaalsContact O-CB 3.27Å; P230-I234 WeakPolarHBondContact O-CB 3.42Å; P230-I234 WeakPolarHBondContact O-CD1 3.4Å; P230-I234 WeakPolarHBondContact O-CG1 3.37Å; P230-I234 PolarHBondContact O-N 2.94Å |
| 231 | V | 86.6 | Confident | 86.6 | Confident | 25 Ų | 25 | 45.1 Ų | 45.1 | 15% | 0.152 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.1 | -41.5 | 179.5 | 168.9 | 0 | 0 | 0 | 0 | 110.5 | F227 V228 V229 I234 T235 F275 | F227-V231 HydrophobicContact CD2-CG2 4.19Å; F227-V231 HydrophobicContact CE2-CG2 4.17Å; F227-V231 VanDerWaalsContact O-CB 3.28Å; F227-V231 WeakPolarHBondContact O-CB 3.48Å; F227-V231 WeakPolarHBondContact O-CG2 3.16Å; F227-V231 PolarHBondContact O-N 3.08Å; V228-V231 PolarHBondContact O-N 3.11Å; V229-V231 PolarHBondContact O-N 3.08Å; V231-I234 PolarHBondContact O-N 2.99Å; V231-T235 VanDerWaalsContact O-CB 3.23Å; V231-T235 WeakPolarHBondContact O-CB 3.26Å; V231-T235 PolarHBondContact O-N 2.97Å; V231-T235 PolarHBondContact O-OG1 3.1Å; V231-F275 HydrophobicContact CG2-CD1 4.19Å; V231-F275 HydrophobicContact CG2-CE1 3.76Å |
| 232 | M | 90.7 | Very high | 86.2 | Confident | 116 Ų | 116 | 44.8 Ų | 44.8 | 57% | 0.571 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -61 | -49.7 | 175.7 | -71.7 | -60.8 | -68.5 | 0 | 0 | 111.5 | V228 V229 P230 I234 T235 V236 | V228-M232 HydrophobicContact CG1-CG 4.37Å; V228-M232 WeakPolarHBondContact O-CB 2.99Å; V228-M232 WeakPolarHBondContact O-CG 3.44Å; V228-M232 PolarHBondContact O-N 3.28Å; V229-M232 PolarHBondContact O-N 3.05Å; P230-M232 VanDerWaalsContact C-N 3.31Å; P230-M232 PolarHBondContact O-N 3.2Å; M232-I234 PolarHBondContact O-N 3.44Å; M232-T235 PolarHBondContact O-N 3.45Å; M232-V236 WeakPolarHBondContact O-CB 3.13Å; M232-V236 VanDerWaalsContact O-CG2 3.31Å; M232-V236 WeakPolarHBondContact O-CG2 3.38Å; M232-V236 PolarHBondContact O-N 3.17Å |
| 233 | V | 90.8 | Very high | 86.1 | Confident | 54 Ų | 54 | 49.2 Ų | 49.2 | 33% | 0.327 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -62.2 | -45.2 | 179.2 | 175.9 | 0 | 0 | 0 | 0 | 111.4 | T144 V148 V229 P230 T235 V236 C237 | T144-V233 HydrophobicContact CG2-CB 3.79Å; T144-V233 HydrophobicContact CG2-CG1 3.43Å; T144-V233 VanDerWaalsContact CG2-CG1 3.43Å; V148-V233 HydrophobicContact CG2-CG1 4.16Å; V229-V233 WeakPolarHBondContact O-CG2 3.21Å; V229-V233 PolarHBondContact O-N 3.07Å; P230-V233 PolarHBondContact O-N 2.02Å; V233-T235 PolarHBondContact O-N 2.82Å; V233-V236 PolarHBondContact O-N 3.4Å; V233-C237 VanDerWaalsContact O-CB 3.3Å; V233-C237 WeakPolarHBondContact O-CB 3.24Å; V233-C237 PolarHBondContact O-N 2.9Å; V233-C237 PolarHBondContact O-SG 2.85Å |
| 234 | I | 87.1 | Confident | 85.9 | Confident | 8 Ų | 8 | 52.2 Ų | 52.2 | 4% | 0.041 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -59.6 | -47.6 | 178.1 | -73.1 | 170.6 | 0 | 0 | 0 | 110.2 | I140 P230 V231 M232 C237 Y238 V272 | I140-I234 HydrophobicContact CD1-CD1 4.01Å; P230-I234 VanDerWaalsContact O-CB 3.27Å; P230-I234 WeakPolarHBondContact O-CB 3.42Å; P230-I234 WeakPolarHBondContact O-CD1 3.4Å; P230-I234 WeakPolarHBondContact O-CG1 3.37Å; P230-I234 PolarHBondContact O-N 2.94Å; V231-I234 PolarHBondContact O-N 2.99Å; M232-I234 PolarHBondContact O-N 3.44Å; I234-C237 PolarHBondContact O-N 3.36Å; I234-Y238 HydrophobicContact CG2-CD2 3.6Å; I234-Y238 HydrophobicContact CG2-CE2 3.72Å; I234-Y238 WeakPolarHBondContact O-CB 3.29Å; I234-Y238 WeakPolarHBondContact O-CD2 3.31Å; I234-Y238 PolarHBondContact O-N 3.31Å; I234-V272 HydrophobicContact CG2-CG1 4.27Å; I234-V272 HydrophobicContact CG2-CG2 3.57Å |
| 235 | T | 85.6 | Confident | 85.2 | Confident | 76 Ų | 76 | 50.3 Ų | 50.3 | 47% | 0.466 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63.4 | -45.4 | -179.7 | -58.2 | 0 | 0 | 0 | 0 | 111.5 | V231 M232 V233 G239 | V231-T235 VanDerWaalsContact O-CB 3.23Å; V231-T235 WeakPolarHBondContact O-CB 3.26Å; V231-T235 PolarHBondContact O-N 2.97Å; V231-T235 PolarHBondContact O-OG1 3.1Å; M232-T235 PolarHBondContact O-N 3.45Å; V233-T235 PolarHBondContact O-N 2.82Å; T235-G239 WeakPolarHBondContact O-CA 3.42Å; T235-G239 PolarHBondContact O-N 2.96Å |
| 236 | V | 89.9 | Confident | 84.5 | Confident | 81 Ų | 81 | 53.7 Ų | 53.7 | 49% | 0.491 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -64 | -48.4 | 177.3 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | M232 V233 Y238 G239 L240 | M232-V236 WeakPolarHBondContact O-CB 3.13Å; M232-V236 VanDerWaalsContact O-CG2 3.31Å; M232-V236 WeakPolarHBondContact O-CG2 3.38Å; M232-V236 PolarHBondContact O-N 3.17Å; V233-V236 PolarHBondContact O-N 3.4Å; V236-Y238 VanDerWaalsContact C-N 3.33Å; V236-Y238 PolarHBondContact O-N 3.03Å; V236-G239 PolarHBondContact O-N 2.82Å; V236-L240 HydrophobicContact CG1-CD1 3.88Å; V236-L240 HydrophobicContact CG1-CG 4.32Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 VanDerWaalsContact O-CG 3.27Å; V236-L240 WeakPolarHBondContact O-CG 3.31Å; V236-L240 PolarHBondContact O-N 3.36Å |
| 237 | C | 86.8 | Confident | 84 | Confident | 13 Ų | 13 | 55.8 Ų | 55.8 | 9% | 0.088 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58 | -46.7 | -180 | -72.3 | 0 | 0 | 0 | 0 | 111.6 | Y151 V233 I234 M241 | Y151-C237 WeakPolarHBondContact CD2-O 3.24Å; V233-C237 VanDerWaalsContact O-CB 3.3Å; V233-C237 WeakPolarHBondContact O-CB 3.24Å; V233-C237 PolarHBondContact O-N 2.9Å; V233-C237 PolarHBondContact O-SG 2.85Å; I234-C237 PolarHBondContact O-N 3.36Å; C237-M241 WeakPolarHBondContact O-CB 3.28Å; C237-M241 PolarHBondContact O-N 2.96Å |
| 238 | Y | 81.8 | Confident | 83.2 | Confident | 20 Ų | 20 | 56.4 Ų | 56.4 | 8% | 0.078 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -75.8 | -34.4 | -179.7 | -72.2 | -51.2 | 0 | 0 | 0 | 113.5 | S147 I234 V236 M241 I242 V268 V272 | S147-Y238 WeakPolarHBondContact OG-CE2 3.38Å; S147-Y238 PolarHBondContact OG-OH 3.34Å; I234-Y238 HydrophobicContact CG2-CD2 3.6Å; I234-Y238 HydrophobicContact CG2-CE2 3.72Å; I234-Y238 WeakPolarHBondContact O-CB 3.29Å; I234-Y238 WeakPolarHBondContact O-CD2 3.31Å; I234-Y238 PolarHBondContact O-N 3.31Å; V236-Y238 VanDerWaalsContact C-N 3.33Å; V236-Y238 PolarHBondContact O-N 3.03Å; Y238-M241 HydrophobicContact CD1-CE 3.59Å; Y238-M241 HydrophobicContact CD1-SD 4.08Å; Y238-M241 HydrophobicContact CE1-CE 4.1Å; Y238-M241 HydrophobicContact CE1-SD 4.36Å; Y238-M241 PolarHBondContact O-N 2.86Å; Y238-I242 VanDerWaalsContact O-CG1 3.26Å; Y238-I242 WeakPolarHBondContact O-CG1 3.16Å; Y238-I242 PolarHBondContact O-N 2.93Å; Y238-V268 HydrophobicContact CD1-CB 4.18Å; Y238-V268 HydrophobicContact CD1-CG1 3.13Å; Y238-V268 HydrophobicContact CD1-CG2 4.04Å; Y238-V268 HydrophobicContact CD2-CG1 3.75Å; Y238-V268 HydrophobicContact CE1-CB 3.91Å; Y238-V268 HydrophobicContact CE1-CG1 3.25Å; Y238-V268 HydrophobicContact CE1-CG2 3.39Å; Y238-V268 HydrophobicContact CE2-CG1 3.85Å; Y238-V268 HydrophobicContact CG-CG1 3.37Å; Y238-V272 HydrophobicContact CD2-CG2 3.52Å; Y238-V272 HydrophobicContact CE2-CG2 3.56Å |
| 239 | G | 83.6 | Confident | 82 | Confident | 31 Ų | 31 | 60.9 Ų | 60.9 | 32% | 0.32 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -58.3 | -51 | 171.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | T235 V236 M241 I242 L243 | T235-G239 WeakPolarHBondContact O-CA 3.42Å; T235-G239 PolarHBondContact O-N 2.96Å; V236-G239 PolarHBondContact O-N 2.82Å; G239-M241 VanDerWaalsContact C-N 3.34Å; G239-M241 PolarHBondContact O-N 2.99Å; G239-I242 PolarHBondContact O-N 3.26Å; G239-L243 WeakPolarHBondContact O-CG 3.48Å; G239-L243 PolarHBondContact O-N 2.93Å |
| 240 | L | 86.3 | Confident | 80.4 | Confident | 75 Ų | 75 | 65.3 Ų | 65.3 | 39% | 0.393 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -63.1 | -39.3 | 176.8 | -66.3 | 175.6 | 0 | 0 | 0 | 112.3 | Y151 V236 L243 R244 | Y151-L240 HydrophobicContact CD2-CB 4.08Å; Y151-L240 HydrophobicContact CE2-CB 3.59Å; Y151-L240 HydrophobicContact CE2-CD1 4.01Å; Y151-L240 HydrophobicContact CE2-CG 4.48Å; V236-L240 HydrophobicContact CG1-CD1 3.88Å; V236-L240 HydrophobicContact CG1-CG 4.32Å; V236-L240 WeakPolarHBondContact O-CB 3.4Å; V236-L240 VanDerWaalsContact O-CG 3.27Å; V236-L240 WeakPolarHBondContact O-CG 3.31Å; V236-L240 PolarHBondContact O-N 3.36Å; L240-L243 PolarHBondContact O-N 2.9Å; L240-R244 WeakPolarHBondContact O-CB 3.33Å; L240-R244 PolarHBondContact O-N 2.91Å |
| 241 | M | 80.8 | Confident | 79 | Confident | 1 Ų | 1 | 72.4 Ų | 72.4 | 1% | 0.005 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -59.5 | -48.1 | 174.1 | -173.8 | -173.3 | 76.1 | 0 | 0 | 111.2 | V154 C237 Y238 G239 L243 R244 L245 V268 | V154-M241 HydrophobicContact CB-CG 3.99Å; V154-M241 HydrophobicContact CB-SD 4.48Å; V154-M241 HydrophobicContact CG1-CG 3.82Å; V154-M241 HydrophobicContact CG2-CG 4.24Å; V154-M241 HydrophobicContact CG2-SD 4.14Å; C237-M241 WeakPolarHBondContact O-CB 3.28Å; C237-M241 PolarHBondContact O-N 2.96Å; Y238-M241 HydrophobicContact CD1-CE 3.59Å; Y238-M241 HydrophobicContact CD1-SD 4.08Å; Y238-M241 HydrophobicContact CE1-CE 4.1Å; Y238-M241 HydrophobicContact CE1-SD 4.36Å; Y238-M241 PolarHBondContact O-N 2.86Å; G239-M241 VanDerWaalsContact C-N 3.34Å; G239-M241 PolarHBondContact O-N 2.99Å; M241-L243 PolarHBondContact O-N 3.21Å; M241-R244 PolarHBondContact O-N 3.35Å; M241-L245 HydrophobicContact CE-CD1 4.5Å; M241-L245 HydrophobicContact CG-CD1 4.11Å; M241-L245 HydrophobicContact CG-CG 4.47Å; M241-L245 WeakPolarHBondContact O-CB 3.28Å; M241-L245 WeakPolarHBondContact O-CG 3.49Å; M241-L245 PolarHBondContact O-N 3.25Å; M241-V268 HydrophobicContact CE-CB 4.42Å; M241-V268 HydrophobicContact CE-CG1 4.18Å; M241-V268 HydrophobicContact CE-CG2 4.08Å |
| 242 | I | 78.4 | Confident | 77.6 | Confident | 42 Ų | 42 | 74.5 Ų | 74.5 | 22% | 0.215 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -43.4 | 178.3 | -69.2 | 165.3 | 0 | 0 | 0 | 111.1 | Y238 G239 R244 L245 R246 T265 | Y238-I242 VanDerWaalsContact O-CG1 3.26Å; Y238-I242 WeakPolarHBondContact O-CG1 3.16Å; Y238-I242 PolarHBondContact O-N 2.93Å; G239-I242 PolarHBondContact O-N 3.26Å; I242-R244 PolarHBondContact O-N 3.26Å; I242-L245 PolarHBondContact O-N 3.46Å; I242-R246 WeakPolarHBondContact O-CG 3.36Å; I242-R246 PolarHBondContact O-N 3.38Å; I242-T265 HydrophobicContact CD1-CG2 4.26Å; I242-T265 HydrophobicContact CG1-CG2 4.13Å |
| 243 | L | 83 | Confident | 76.1 | Confident | 107 Ų | 107 | 72.7 Ų | 72.7 | 56% | 0.56 | 40% | 0.395 | S | S | * | . | H | α-helix | trans | -60.5 | -45.2 | 177.2 | -70.7 | 173.3 | 0 | 0 | 0 | 111.6 | G239 L240 M241 R246 S247 | G239-L243 WeakPolarHBondContact O-CG 3.48Å; G239-L243 PolarHBondContact O-N 2.93Å; L240-L243 PolarHBondContact O-N 2.9Å; M241-L243 PolarHBondContact O-N 3.21Å; L243-R246 PolarHBondContact O-N 3.46Å; L243-S247 PolarHBondContact O-N 3.03Å; L243-S247 PolarHBondContact O-OG 2.93Å |
| 244 | R | 80.6 | Confident | 74.7 | Confident | 123 Ų | 123 | 73.3 Ų | 73.3 | 46% | 0.464 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -64.2 | -40.6 | 176.5 | -176.9 | 57.9 | 171.9 | 179.5 | 0.5 | 112.3 | C155 L240 M241 I242 R246 S247 V248 | C155-R244 HydrophobicContact CB-CG 4.32Å; C155-R244 VanDerWaalsContact SG-CB 3.59Å; L240-R244 WeakPolarHBondContact O-CB 3.33Å; L240-R244 PolarHBondContact O-N 2.91Å; M241-R244 PolarHBondContact O-N 3.35Å; I242-R244 PolarHBondContact O-N 3.26Å; R244-R246 VanDerWaalsContact C-N 3.33Å; R244-S247 PolarHBondContact O-N 3.47Å; R244-S247 PolarHBondContact O-OG 2.89Å; R244-V248 HydrophobicContact CG-CG2 4.49Å; R244-V248 VanDerWaalsContact O-CG2 3.29Å; R244-V248 WeakPolarHBondContact O-CG2 3.18Å; R244-V248 PolarHBondContact O-N 2.93Å |
| 245 | L | 72.3 | Confident | 73.3 | Confident | 27 Ų | 27 | 82 Ų | 82 | 14% | 0.141 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 176.7 | -69.6 | 177.1 | 0 | 0 | 0 | 111.8 | V154 M241 I242 R249 M261 | V154-L245 HydrophobicContact CG1-CD1 4.32Å; V154-L245 HydrophobicContact CG1-CD2 3.34Å; V154-L245 HydrophobicContact CG1-CG 3.78Å; M241-L245 HydrophobicContact CE-CD1 4.5Å; M241-L245 HydrophobicContact CG-CD1 4.11Å; M241-L245 HydrophobicContact CG-CG 4.47Å; M241-L245 WeakPolarHBondContact O-CB 3.28Å; M241-L245 WeakPolarHBondContact O-CG 3.49Å; M241-L245 PolarHBondContact O-N 3.25Å; I242-L245 PolarHBondContact O-N 3.46Å; L245-R249 WeakPolarHBondContact O-CB 3.28Å; L245-R249 PolarHBondContact O-N 3.29Å; L245-M261 HydrophobicContact CB-CE 4.44Å; L245-M261 HydrophobicContact CB-CG 4.37Å; L245-M261 HydrophobicContact CB-SD 3.81Å; L245-M261 HydrophobicContact CD1-CG 3.9Å; L245-M261 HydrophobicContact CD1-SD 4.32Å; L245-M261 HydrophobicContact CD2-CG 4.08Å; L245-M261 HydrophobicContact CD2-SD 3.58Å; L245-M261 VanDerWaalsContact CD2-SD 3.58Å; L245-M261 HydrophobicContact CG-CG 4.32Å; L245-M261 HydrophobicContact CG-SD 4.07Å |
| 246 | R | 73.4 | Confident | 72 | Confident | 171 Ų | 171 | 86.3 Ų | 86.3 | 65% | 0.645 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -68 | -40.6 | 173.8 | -75.7 | -176.2 | -179.6 | -172.9 | 1.1 | 112.6 | I242 L243 R244 R249 L250 | I242-R246 WeakPolarHBondContact O-CG 3.36Å; I242-R246 PolarHBondContact O-N 3.38Å; L243-R246 PolarHBondContact O-N 3.46Å; R244-R246 VanDerWaalsContact C-N 3.33Å; R246-R249 WeakPolarHBondContact O-CB 3.32Å; R246-R249 PolarHBondContact O-N 2.86Å; R246-L250 PolarHBondContact O-N 2.87Å |
| 247 | S | 73.7 | Confident | 70.5 | Confident | 46 Ų | 46 | 88 Ų | 88 | 32% | 0.322 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -70.3 | -40 | 179.6 | 60.7 | 0 | 0 | 0 | 0 | 112.8 | L243 R244 R249 L250 | L243-S247 PolarHBondContact O-N 3.03Å; L243-S247 PolarHBondContact O-OG 2.93Å; R244-S247 PolarHBondContact O-N 3.47Å; R244-S247 PolarHBondContact O-OG 2.89Å; S247-R249 VanDerWaalsContact C-N 3.25Å; S247-R249 PolarHBondContact O-N 3.27Å; S247-L250 PolarHBondContact O-N 3.3Å |
| 248 | V | 68.7 | Low | 69 | Low | 44 Ų | 44 | 88.6 Ų | 88.6 | 27% | 0.267 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -67.3 | -27.3 | 174.9 | 176.6 | 0 | 0 | 0 | 0 | 111.8 | R244 L251 S252 | R244-V248 HydrophobicContact CG-CG2 4.49Å; R244-V248 VanDerWaalsContact O-CG2 3.29Å; R244-V248 WeakPolarHBondContact O-CG2 3.18Å; R244-V248 PolarHBondContact O-N 2.93Å; V248-L251 PolarHBondContact O-N 3.32Å; V248-S252 PolarHBondContact O-N 3.42Å |
| 249 | R | 62.3 | Low | 68.2 | Low | 147 Ų | 147 | 97.4 Ų | 97.4 | 56% | 0.555 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64.2 | -39.3 | 174.8 | -178.5 | -177.6 | 178.6 | -174.2 | -0.7 | 112.7 | L245 R246 S247 L251 M261 | L245-R249 WeakPolarHBondContact O-CB 3.28Å; L245-R249 PolarHBondContact O-N 3.29Å; R246-R249 WeakPolarHBondContact O-CB 3.32Å; R246-R249 PolarHBondContact O-N 2.86Å; S247-R249 VanDerWaalsContact C-N 3.25Å; S247-R249 PolarHBondContact O-N 3.27Å; R249-L251 PolarHBondContact O-N 3.39Å; R249-M261 HydrophobicContact CB-CE 4.39Å |
| 250 | L | 56.8 | Low | 67.1 | Low | 161 Ų | 161 | 100.6 Ų | 100.6 | 84% | 0.843 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -63.1 | -22.3 | 176.2 | -68.3 | 172.3 | 0 | 0 | 0 | 112.3 | R246 S247 | R246-L250 PolarHBondContact O-N 2.87Å; S247-L250 PolarHBondContact O-N 3.3Å |
| 251 | L | 59 | Low | 65.8 | Low | 152 Ų | 152 | 98.7 Ų | 98.7 | 80% | 0.796 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -98 | -16 | -173.9 | -69 | 161.4 | 0 | 0 | 0 | 114.7 | V248 R249 | V248-L251 PolarHBondContact O-N 3.32Å; R249-L251 PolarHBondContact O-N 3.39Å |
| 252 | S | 58.1 | Low | 64.9 | Low | 70 Ų | 70 | 105 Ų | 105 | 49% | 0.49 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -138.8 | 3.2 | -161.3 | -155.2 | 0 | 0 | 0 | 0 | 118.1 | V248 S254 | V248-S252 PolarHBondContact O-N 3.42Å; S252-S254 PolarHBondContact O-N 2.93Å |
| 253 | G | 58.6 | Low | 64.3 | Low | 77 Ų | 77 | 107.4 Ų | 107.4 | 79% | 0.794 | 52% | 0.52 | S | S | * | . | trans | 55.1 | -7 | 155.7 | 0 | 0 | 0 | 0 | 0 | 122.4 | ||||
| 254 | S | 62.4 | Low | 63.4 | Low | 68 Ų | 68 | 105.2 Ų | 105.2 | 48% | 0.476 | 51% | 0.508 | S | S | . | . | trans | -84.9 | 124.5 | -172.2 | 177.3 | 0 | 0 | 0 | 0 | 113.7 | S252 E256 D258 | S252-S254 PolarHBondContact O-N 2.93Å; S254-E256 PolarHBondContact O-N 3.46Å; S254-D258 PolarHBondContact O-N 3.25Å | ||
| 255 | K | 57.7 | Low | 62.5 | Low | 190 Ų | 190 | 100.8 Ų | 100.8 | 83% | 0.826 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -68 | -27.8 | -178.6 | -68.8 | -178.4 | 177.8 | 177.1 | 0 | 114.2 | D258 R259 | K255-D258 WeakPolarHBondContact O-CB 3.42Å; K255-D258 PolarHBondContact O-N 3.33Å; K255-R259 PolarHBondContact O-N 3.44Å |
| 256 | E | 57.4 | Low | 62.2 | Low | 166 Ų | 166 | 107.9 Ų | 107.9 | 78% | 0.776 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -76.3 | -39.4 | -179.6 | -168.9 | 176.6 | 179.9 | 0 | 0 | 111.8 | S254 D258 R259 N260 | S254-E256 PolarHBondContact O-N 3.46Å; E256-D258 PolarHBondContact O-N 2.99Å; E256-R259 PolarHBondContact O-N 3.23Å; E256-N260 PolarHBondContact O-N 3.37Å |
| 257 | K | 59.2 | Low | 61.8 | Low | 116 Ų | 116 | 102.3 Ų | 102.3 | 50% | 0.504 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -60.4 | -34 | 171.8 | -166.7 | 172.7 | 179.8 | 176 | 0 | 111.3 | M261 | K257-M261 WeakPolarHBondContact O-CB 3.45Å; K257-M261 PolarHBondContact O-N 2.87Å |
| 258 | D | 55.6 | Low | 61.2 | Low | 26 Ų | 26 | 100.3 Ų | 100.3 | 14% | 0.139 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -66.8 | -38.8 | 179.8 | -161.9 | 27.5 | 0 | 0 | 0 | 113.3 | S254 K255 E256 R262 | S254-D258 PolarHBondContact O-N 3.25Å; K255-D258 WeakPolarHBondContact O-CB 3.42Å; K255-D258 PolarHBondContact O-N 3.33Å; E256-D258 PolarHBondContact O-N 2.99Å; D258-R262 VanDerWaalsContact CG-CZ 3.48Å; D258-R262 VanDerWaalsContact CG-NH2 3.29Å; D258-R262 PolarHBondContact O-N 2.84Å; D258-R262 IonicContact OD1-CZ 3.1Å; D258-R262 IonicContact OD1-NH1 2.8Å; D258-R262 PolarHBondContact OD1-NH1 3.44Å; D258-R262 IonicContact OD1-NH2 2.65Å; D258-R262 IonicContact OD2-CZ 2.72Å; D258-R262 IonicContact OD2-NH1 2.74Å; D258-R262 PolarHBondContact OD2-NH1 3.08Å; D258-R262 IonicContact OD2-NH2 2.68Å; D258-R262 PolarHBondContact OD2-NH2 2.9Å |
| 259 | R | 63.8 | Low | 61.1 | Low | 205 Ų | 205 | 103.1 Ų | 103.1 | 77% | 0.774 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -70.2 | -44.7 | 178.3 | -177 | 176.9 | 163.7 | -173 | -4.7 | 112 | K255 E256 M261 R263 | K255-R259 PolarHBondContact O-N 3.44Å; E256-R259 PolarHBondContact O-N 3.23Å; R259-M261 VanDerWaalsContact C-N 3.29Å; R259-M261 PolarHBondContact O-N 3.19Å; R259-R263 PolarHBondContact O-N 2.85Å; R259-R263 VanDerWaalsContact O-N 3.15Å |
| 260 | N | 60.7 | Low | 61.5 | Low | 99 Ų | 99 | 99.4 Ų | 99.4 | 53% | 0.529 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -66.9 | -35.6 | 178.3 | -153.2 | 30.4 | 0 | 0 | 0 | 111 | E256 R263 I264 | E256-N260 PolarHBondContact O-N 3.37Å; N260-R263 WeakPolarHBondContact O-CB 3.13Å; N260-R263 PolarHBondContact O-N 2.99Å; N260-I264 VanDerWaalsContact O-CG1 3.3Å; N260-I264 WeakPolarHBondContact O-CG1 3.5Å; N260-I264 PolarHBondContact O-N 3.41Å; N260-I264 VanDerWaalsContact O-N 3.1Å |
| 261 | M | 58.6 | Low | 62.1 | Low | 34 Ų | 34 | 93.2 Ų | 93.2 | 17% | 0.167 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -69.4 | -43.7 | 177.2 | -167.1 | 165.3 | 79.3 | 0 | 0 | 113.2 | L245 R249 K257 R259 R263 I264 T265 | L245-M261 HydrophobicContact CB-CE 4.44Å; L245-M261 HydrophobicContact CB-CG 4.37Å; L245-M261 HydrophobicContact CB-SD 3.81Å; L245-M261 HydrophobicContact CD1-CG 3.9Å; L245-M261 HydrophobicContact CD1-SD 4.32Å; L245-M261 HydrophobicContact CD2-CG 4.08Å; L245-M261 HydrophobicContact CD2-SD 3.58Å; L245-M261 VanDerWaalsContact CD2-SD 3.58Å; L245-M261 HydrophobicContact CG-CG 4.32Å; L245-M261 HydrophobicContact CG-SD 4.07Å; R249-M261 HydrophobicContact CB-CE 4.39Å; K257-M261 WeakPolarHBondContact O-CB 3.45Å; K257-M261 PolarHBondContact O-N 2.87Å; R259-M261 VanDerWaalsContact C-N 3.29Å; R259-M261 PolarHBondContact O-N 3.19Å; M261-R263 VanDerWaalsContact C-N 3.28Å; M261-R263 PolarHBondContact O-N 3.34Å; M261-I264 PolarHBondContact O-N 3.42Å; M261-T265 PolarHBondContact O-N 3.18Å; M261-T265 PolarHBondContact O-OG1 3.19Å |
| 262 | R | 62.1 | Low | 62.6 | Low | 135 Ų | 135 | 87.2 Ų | 87.2 | 51% | 0.509 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -60.6 | -36.8 | 172.2 | -86.7 | -166.2 | -80.5 | -83.3 | 2.6 | 112.5 | D258 R266 | D258-R262 VanDerWaalsContact CG-CZ 3.48Å; D258-R262 VanDerWaalsContact CG-NH2 3.29Å; D258-R262 PolarHBondContact O-N 2.84Å; D258-R262 IonicContact OD1-CZ 3.1Å; D258-R262 IonicContact OD1-NH1 2.8Å; D258-R262 PolarHBondContact OD1-NH1 3.44Å; D258-R262 IonicContact OD1-NH2 2.65Å; D258-R262 IonicContact OD2-CZ 2.72Å; D258-R262 IonicContact OD2-NH1 2.74Å; D258-R262 PolarHBondContact OD2-NH1 3.08Å; D258-R262 IonicContact OD2-NH2 2.68Å; D258-R262 PolarHBondContact OD2-NH2 2.9Å; R262-R266 WeakPolarHBondContact O-CB 3.48Å; R262-R266 PolarHBondContact O-N 2.8Å |
| 263 | R | 67.2 | Low | 63.4 | Low | 92 Ų | 92 | 86 Ų | 86 | 35% | 0.347 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -61.6 | -45 | 174 | -176.1 | -179.4 | 178.4 | 167.8 | -1.2 | 111.2 | R259 N260 M261 M267 L326 | R259-R263 PolarHBondContact O-N 2.85Å; R259-R263 VanDerWaalsContact O-N 3.15Å; N260-R263 WeakPolarHBondContact O-CB 3.13Å; N260-R263 PolarHBondContact O-N 2.99Å; M261-R263 VanDerWaalsContact C-N 3.28Å; M261-R263 PolarHBondContact O-N 3.34Å; R263-M267 WeakPolarHBondContact O-CB 3.39Å; R263-M267 PolarHBondContact O-N 3Å; R263-L326 PolarHBondContact NH2-O 2.93Å |
| 264 | I | 63.3 | Low | 64.3 | Low | 60 Ų | 60 | 83.1 Ų | 83.1 | 31% | 0.308 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65.9 | -46.9 | 178.3 | -65.6 | 164.1 | 0 | 0 | 0 | 111.2 | N260 M261 R266 M267 V268 | N260-I264 VanDerWaalsContact O-CG1 3.3Å; N260-I264 WeakPolarHBondContact O-CG1 3.5Å; N260-I264 PolarHBondContact O-N 3.41Å; N260-I264 VanDerWaalsContact O-N 3.1Å; M261-I264 PolarHBondContact O-N 3.42Å; I264-R266 PolarHBondContact O-N 3.01Å; I264-M267 WeakPolarHBondContact O-CB 3.29Å; I264-M267 PolarHBondContact O-N 2.88Å; I264-V268 WeakPolarHBondContact O-CB 3.39Å; I264-V268 WeakPolarHBondContact O-CG2 3.35Å; I264-V268 PolarHBondContact O-N 2.78Å |
| 265 | T | 61.3 | Low | 64.9 | Low | 30 Ų | 30 | 80.2 Ų | 80.2 | 18% | 0.184 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63 | -42.3 | 177.5 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | I242 M261 V268 L269 | I242-T265 HydrophobicContact CD1-CG2 4.26Å; I242-T265 HydrophobicContact CG1-CG2 4.13Å; M261-T265 PolarHBondContact O-N 3.18Å; M261-T265 PolarHBondContact O-OG1 3.19Å; T265-V268 PolarHBondContact O-N 3.35Å; T265-L269 HydrophobicContact CG2-CD1 4.26Å; T265-L269 WeakPolarHBondContact O-CG 3.34Å; T265-L269 PolarHBondContact O-N 3.39Å |
| 266 | R | 66 | Low | 66 | Low | 176 Ų | 176 | 74.2 Ų | 74.2 | 66% | 0.664 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -63.4 | -45 | 176.2 | -174.8 | 178.5 | 70.3 | -168.5 | 4.9 | 111.5 | R262 I264 V268 L269 V270 | R262-R266 WeakPolarHBondContact O-CB 3.48Å; R262-R266 PolarHBondContact O-N 2.8Å; I264-R266 PolarHBondContact O-N 3.01Å; R266-V268 VanDerWaalsContact C-N 3.28Å; R266-V268 PolarHBondContact O-N 2.91Å; R266-L269 PolarHBondContact O-N 3.16Å; R266-V270 VanDerWaalsContact O-CG2 3.24Å; R266-V270 WeakPolarHBondContact O-CG2 3.46Å; R266-V270 PolarHBondContact O-N 3.3Å |
| 267 | M | 65.4 | Low | 67.3 | Low | 54 Ų | 54 | 71.4 Ų | 71.4 | 27% | 0.266 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -55.9 | -45.6 | 175.9 | 173.4 | 179.7 | 116 | 0 | 0 | 111.6 | R263 I264 V270 V271 L326 | R263-M267 WeakPolarHBondContact O-CB 3.39Å; R263-M267 PolarHBondContact O-N 3Å; I264-M267 WeakPolarHBondContact O-CB 3.29Å; I264-M267 PolarHBondContact O-N 2.88Å; M267-V270 PolarHBondContact O-N 3.3Å; M267-V271 WeakPolarHBondContact O-CG2 3.49Å; M267-V271 PolarHBondContact O-N 3.08Å; M267-L326 HydrophobicContact CB-CD1 4.45Å; M267-L326 HydrophobicContact CB-CD2 3.73Å; M267-L326 HydrophobicContact CG-CD1 3.37Å; M267-L326 HydrophobicContact CG-CD2 3.48Å; M267-L326 VanDerWaalsContact CG-CD2 3.48Å; M267-L326 HydrophobicContact CG-CG 3.95Å; M267-L326 HydrophobicContact SD-CB 3.91Å; M267-L326 HydrophobicContact SD-CD1 3.59Å; M267-L326 VanDerWaalsContact SD-CD1 3.59Å; M267-L326 HydrophobicContact SD-CD2 3.65Å; M267-L326 HydrophobicContact SD-CG 3.88Å |
| 268 | V | 61.1 | Low | 68.5 | Low | 4 Ų | 4 | 66.1 Ų | 66.1 | 2% | 0.024 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -47.5 | 178.9 | 157 | 0 | 0 | 0 | 0 | 112 | Y238 M241 I264 T265 R266 V270 V271 V272 | Y238-V268 HydrophobicContact CD1-CB 4.18Å; Y238-V268 HydrophobicContact CD1-CG1 3.13Å; Y238-V268 HydrophobicContact CD1-CG2 4.04Å; Y238-V268 HydrophobicContact CD2-CG1 3.75Å; Y238-V268 HydrophobicContact CE1-CB 3.91Å; Y238-V268 HydrophobicContact CE1-CG1 3.25Å; Y238-V268 HydrophobicContact CE1-CG2 3.39Å; Y238-V268 HydrophobicContact CE2-CG1 3.85Å; Y238-V268 HydrophobicContact CG-CG1 3.37Å; M241-V268 HydrophobicContact CE-CB 4.42Å; M241-V268 HydrophobicContact CE-CG1 4.18Å; M241-V268 HydrophobicContact CE-CG2 4.08Å; I264-V268 WeakPolarHBondContact O-CB 3.39Å; I264-V268 WeakPolarHBondContact O-CG2 3.35Å; I264-V268 PolarHBondContact O-N 2.78Å; T265-V268 PolarHBondContact O-N 3.35Å; R266-V268 VanDerWaalsContact C-N 3.28Å; R266-V268 PolarHBondContact O-N 2.91Å; V268-V270 VanDerWaalsContact C-N 3.26Å; V268-V270 PolarHBondContact O-N 3.06Å; V268-V271 PolarHBondContact O-N 3.12Å; V268-V272 WeakPolarHBondContact O-CG2 3.26Å; V268-V272 PolarHBondContact O-N 3.35Å |
| 269 | L | 65.9 | Low | 69.6 | Low | 103 Ų | 103 | 66 Ų | 66 | 54% | 0.539 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -59.7 | -39.3 | 176.7 | -74.5 | 171 | 0 | 0 | 0 | 111.6 | T265 R266 A273 | T265-L269 HydrophobicContact CG2-CD1 4.26Å; T265-L269 WeakPolarHBondContact O-CG 3.34Å; T265-L269 PolarHBondContact O-N 3.39Å; R266-L269 PolarHBondContact O-N 3.16Å; L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 2.83Å |
| 270 | V | 71.8 | Confident | 70.5 | Confident | 69 Ų | 69 | 57.8 Ų | 57.8 | 42% | 0.418 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -63.6 | -43.7 | 176.1 | 169.9 | 0 | 0 | 0 | 0 | 111.3 | R266 M267 V268 A274 L322 | R266-V270 VanDerWaalsContact O-CG2 3.24Å; R266-V270 WeakPolarHBondContact O-CG2 3.46Å; R266-V270 PolarHBondContact O-N 3.3Å; M267-V270 PolarHBondContact O-N 3.3Å; V268-V270 VanDerWaalsContact C-N 3.26Å; V268-V270 PolarHBondContact O-N 3.06Å; V270-A274 WeakPolarHBondContact O-CB 3.33Å; V270-A274 PolarHBondContact O-N 3.24Å; V270-L322 HydrophobicContact CG1-CD2 3.83Å |
| 271 | V | 69.4 | Low | 71.7 | Confident | 32 Ų | 32 | 55 Ų | 55 | 19% | 0.194 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -65.4 | -44.4 | 178.7 | 172.6 | 0 | 0 | 0 | 0 | 111.5 | L143 M267 V268 A274 F275 L322 | L143-V271 HydrophobicContact CD2-CG1 4.33Å; M267-V271 WeakPolarHBondContact O-CG2 3.49Å; M267-V271 PolarHBondContact O-N 3.08Å; V268-V271 PolarHBondContact O-N 3.12Å; V271-A274 PolarHBondContact O-N 3.37Å; V271-F275 PolarHBondContact O-N 3.05Å; V271-L322 HydrophobicContact CG2-CD1 4.27Å |
| 272 | V | 68.6 | Low | 72.8 | Confident | 25 Ų | 25 | 54.1 Ų | 54.1 | 15% | 0.152 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.7 | -45.1 | 178 | 177.1 | 0 | 0 | 0 | 0 | 111.1 | I234 Y238 V268 F275 I276 | I234-V272 HydrophobicContact CG2-CG1 4.27Å; I234-V272 HydrophobicContact CG2-CG2 3.57Å; Y238-V272 HydrophobicContact CD2-CG2 3.52Å; Y238-V272 HydrophobicContact CE2-CG2 3.56Å; V268-V272 WeakPolarHBondContact O-CG2 3.26Å; V268-V272 PolarHBondContact O-N 3.35Å; V272-F275 PolarHBondContact O-N 3.29Å; V272-I276 HydrophobicContact CG1-CD1 3.93Å; V272-I276 WeakPolarHBondContact O-CG1 3.48Å; V272-I276 PolarHBondContact O-N 2.75Å |
| 273 | A | 75.6 | Confident | 73.6 | Confident | 44 Ų | 44 | 47.9 Ų | 47.9 | 36% | 0.364 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.2 | L269 F275 I276 I277 | L269-A273 WeakPolarHBondContact O-CB 3.33Å; L269-A273 PolarHBondContact O-N 2.83Å; A273-F275 VanDerWaalsContact C-N 3.33Å; A273-F275 PolarHBondContact O-N 2.86Å; A273-I276 PolarHBondContact O-N 3.29Å; A273-I277 HydrophobicContact CB-CD1 4.42Å; A273-I277 VanDerWaalsContact O-CB 3.25Å; A273-I277 WeakPolarHBondContact O-CB 3.15Å; A273-I277 WeakPolarHBondContact O-CD1 3.08Å; A273-I277 WeakPolarHBondContact O-CG1 3.29Å; A273-I277 PolarHBondContact O-N 3.14Å |
| 274 | A | 78.1 | Confident | 74.3 | Confident | 18 Ų | 18 | 48 Ų | 48 | 15% | 0.149 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58.8 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | V270 V271 I277 C278 | V270-A274 WeakPolarHBondContact O-CB 3.33Å; V270-A274 PolarHBondContact O-N 3.24Å; V271-A274 PolarHBondContact O-N 3.37Å; A274-I277 PolarHBondContact O-N 2.94Å; A274-C278 WeakPolarHBondContact O-CB 3.25Å; A274-C278 PolarHBondContact O-N 3.48Å; A274-C278 PolarHBondContact O-SG 3.37Å |
| 275 | F | 74.7 | Confident | 75.1 | Confident | 7 Ų | 7 | 47.4 Ų | 47.4 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -61.3 | -50.9 | 177 | -179.2 | -96.3 | 0 | 0 | 0 | 112.3 | I140 L143 F227 V231 V271 V272 A273 I277 C278 W279 | I140-F275 HydrophobicContact CB-CE2 4.36Å; I140-F275 HydrophobicContact CB-CZ 4.4Å; I140-F275 HydrophobicContact CD1-CD1 4.4Å; I140-F275 HydrophobicContact CD1-CD2 4.1Å; I140-F275 HydrophobicContact CD1-CE1 3.72Å; I140-F275 HydrophobicContact CD1-CE2 3.37Å; I140-F275 HydrophobicContact CD1-CZ 3.16Å; I140-F275 HydrophobicContact CG1-CE2 4.1Å; I140-F275 HydrophobicContact CG1-CZ 3.75Å; L143-F275 HydrophobicContact CD1-CD2 3.82Å; L143-F275 HydrophobicContact CD1-CE2 4.36Å; F227-F275 HydrophobicContact CD2-CE1 4.35Å; V231-F275 HydrophobicContact CG2-CD1 4.19Å; V231-F275 HydrophobicContact CG2-CE1 3.76Å; V271-F275 PolarHBondContact O-N 3.05Å; V272-F275 PolarHBondContact O-N 3.29Å; A273-F275 VanDerWaalsContact C-N 3.33Å; A273-F275 PolarHBondContact O-N 2.86Å; F275-I277 PolarHBondContact O-N 3.39Å; F275-C278 PolarHBondContact O-N 3.49Å; F275-W279 AromaticContact CD2-CD1 3.36Å; F275-W279 HydrophobicContact CD2-CG 4.22Å; F275-W279 AromaticContact CD2-NE1 3.72Å; F275-W279 HydrophobicContact CE2-CB 4.41Å; F275-W279 AromaticContact CE2-CD1 3.21Å; F275-W279 HydrophobicContact CE2-CD2 4.25Å; F275-W279 AromaticContact CE2-CG 3.72Å; F275-W279 HydrophobicContact CE2-CG 3.72Å; F275-W279 AromaticContact CE2-NE1 3.45Å; F275-W279 HydrophobicContact CZ-CB 4.22Å; F275-W279 AromaticContact CZ-CD1 3.88Å; F275-W279 AromaticContact CZ-CG 3.95Å; F275-W279 HydrophobicContact CZ-CG 3.95Å; F275-W279 WeakPolarHBondContact O-CB 3.31Å; F275-W279 PolarHBondContact O-N 3.17Å |
| 276 | I | 80.3 | Confident | 75.7 | Confident | 64 Ų | 64 | 47.9 Ų | 47.9 | 33% | 0.328 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.8 | -48.4 | 179.6 | -67.6 | 172.4 | 0 | 0 | 0 | 109.9 | V272 A273 C278 T280 | V272-I276 HydrophobicContact CG1-CD1 3.93Å; V272-I276 WeakPolarHBondContact O-CG1 3.48Å; V272-I276 PolarHBondContact O-N 2.75Å; A273-I276 PolarHBondContact O-N 3.29Å; I276-C278 VanDerWaalsContact C-N 3.3Å; I276-C278 PolarHBondContact O-N 2.83Å; I276-T280 WeakPolarHBondContact CG2-OG1 3.22Å; I276-T280 WeakPolarHBondContact O-CB 3.42Å; I276-T280 PolarHBondContact O-N 3.44Å; I276-T280 PolarHBondContact O-OG1 2.9Å |
| 277 | I | 85.1 | Confident | 76.2 | Confident | 107 Ų | 107 | 42.4 Ų | 42.4 | 55% | 0.549 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -61.9 | -41.2 | -179.5 | -69 | 166 | 0 | 0 | 0 | 110.4 | A273 A274 F275 P281 L311 | A273-I277 HydrophobicContact CB-CD1 4.42Å; A273-I277 VanDerWaalsContact O-CB 3.25Å; A273-I277 WeakPolarHBondContact O-CB 3.15Å; A273-I277 WeakPolarHBondContact O-CD1 3.08Å; A273-I277 WeakPolarHBondContact O-CG1 3.29Å; A273-I277 PolarHBondContact O-N 3.14Å; A274-I277 PolarHBondContact O-N 2.94Å; F275-I277 PolarHBondContact O-N 3.39Å; I277-P281 WeakPolarHBondContact O-CD 3.42Å; I277-P281 WeakPolarHBondContact O-CG 3.21Å; I277-L311 HydrophobicContact CG2-CD2 4.38Å; I277-L311 WeakPolarHBondContact O-CD2 3.36Å |
| 278 | C | 82.9 | Confident | 76.8 | Confident | 4 Ų | 4 | 42.6 Ų | 42.6 | 3% | 0.027 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -74.2 | -37.6 | -176.4 | -65.8 | 0 | 0 | 0 | 0 | 114 | A274 F275 I276 L311 G312 N315 | A274-C278 WeakPolarHBondContact O-CB 3.25Å; A274-C278 PolarHBondContact O-N 3.48Å; A274-C278 PolarHBondContact O-SG 3.37Å; F275-C278 PolarHBondContact O-N 3.49Å; I276-C278 VanDerWaalsContact C-N 3.3Å; I276-C278 PolarHBondContact O-N 2.83Å; C278-L311 HydrophobicContact CB-CG 4.44Å; C278-L311 WeakPolarHBondContact CB-O 3.4Å; C278-G312 PolarHBondContact O-N 3.19Å; C278-N315 HydrophobicContact CB-CB 3.77Å |
| 279 | W | 80.4 | Confident | 77.2 | Confident | 25 Ų | 25 | 43.8 Ų | 43.8 | 10% | 0.095 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -98.9 | -27.1 | -172.5 | -73.9 | 89.6 | 0 | 0 | 0 | 114.2 | M136 F227 F275 I282 Q283 N315 | M136-W279 HydrophobicContact CB-CH2 3.86Å; M136-W279 HydrophobicContact CB-CZ3 4.22Å; M136-W279 HydrophobicContact CG-CH2 3.68Å; M136-W279 HydrophobicContact CG-CZ3 3.59Å; M136-W279 HydrophobicContact SD-CZ3 4.01Å; F227-W279 HydrophobicContact CD2-CB 4.49Å; F275-W279 AromaticContact CD2-CD1 3.36Å; F275-W279 HydrophobicContact CD2-CG 4.22Å; F275-W279 AromaticContact CD2-NE1 3.72Å; F275-W279 HydrophobicContact CE2-CB 4.41Å; F275-W279 AromaticContact CE2-CD1 3.21Å; F275-W279 HydrophobicContact CE2-CD2 4.25Å; F275-W279 AromaticContact CE2-CG 3.72Å; F275-W279 HydrophobicContact CE2-CG 3.72Å; F275-W279 AromaticContact CE2-NE1 3.45Å; F275-W279 HydrophobicContact CZ-CB 4.22Å; F275-W279 AromaticContact CZ-CD1 3.88Å; F275-W279 AromaticContact CZ-CG 3.95Å; F275-W279 HydrophobicContact CZ-CG 3.95Å; F275-W279 WeakPolarHBondContact O-CB 3.31Å; F275-W279 PolarHBondContact O-N 3.17Å; W279-I282 HydrophobicContact CE3-CG2 4.22Å; W279-I282 WeakPolarHBondContact O-CG2 3.45Å; W279-I282 PolarHBondContact O-N 3.24Å; W279-Q283 VanDerWaalsContact O-CG 3.29Å; W279-Q283 WeakPolarHBondContact O-CG 3.39Å; W279-Q283 PolarHBondContact O-N 2.7Å; W279-N315 PolarHBondContact NE1-ND2 3.05Å |
| 280 | T | 82.6 | Confident | 77.2 | Confident | 31 Ų | 31 | 41 Ų | 41 | 19% | 0.19 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | -177.3 | -58.2 | 0 | 0 | 0 | 0 | 112.9 | F227 I276 I282 Q283 I284 | F227-T280 HydrophobicContact CZ-CG2 4.43Å; F227-T280 WeakPolarHBondContact CZ-OG1 3.45Å; I276-T280 WeakPolarHBondContact CG2-OG1 3.22Å; I276-T280 WeakPolarHBondContact O-CB 3.42Å; I276-T280 PolarHBondContact O-N 3.44Å; I276-T280 PolarHBondContact O-OG1 2.9Å; T280-I282 PolarHBondContact O-N 3.11Å; T280-Q283 PolarHBondContact O-N 2.88Å; T280-I284 HydrophobicContact CG2-CD1 3.47Å; T280-I284 VanDerWaalsContact CG2-CD1 3.47Å; T280-I284 HydrophobicContact CG2-CG1 3.93Å; T280-I284 WeakPolarHBondContact O-CG1 3.15Å; T280-I284 PolarHBondContact O-N 2.59Å |
| 281 | P | 85.4 | Confident | 77.2 | Confident | 40 Ų | 40 | 44.3 Ų | 44.3 | 26% | 0.26 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -58.7 | -45.4 | -178.3 | -28.8 | 39.3 | 0 | 0 | 0 | 112.6 | I277 I284 F285 L311 | I277-P281 WeakPolarHBondContact O-CD 3.42Å; I277-P281 WeakPolarHBondContact O-CG 3.21Å; P281-I284 PolarHBondContact O-N 2.63Å; P281-F285 WeakPolarHBondContact O-CB 3.12Å; P281-F285 WeakPolarHBondContact O-CD2 3.29Å; P281-F285 PolarHBondContact O-N 3.35Å; P281-L311 HydrophobicContact CG-CD2 3.81Å |
| 282 | I | 80.8 | Confident | 77.5 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 9% | 0.087 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -68 | -38.5 | 179.9 | -170.3 | 58.7 | 0 | 0 | 0 | 111.8 | W279 T280 F285 I286 W305 I309 | W279-I282 HydrophobicContact CE3-CG2 4.22Å; W279-I282 WeakPolarHBondContact O-CG2 3.45Å; W279-I282 PolarHBondContact O-N 3.24Å; T280-I282 PolarHBondContact O-N 3.11Å; I282-F285 PolarHBondContact O-N 3.37Å; I282-I286 HydrophobicContact CG1-CD1 4.05Å; I282-I286 WeakPolarHBondContact O-CD1 3.42Å; I282-I286 WeakPolarHBondContact O-CG1 3.26Å; I282-I286 PolarHBondContact O-N 2.83Å; I282-W305 HydrophobicContact CD1-CE3 4.28Å; I282-W305 HydrophobicContact CD1-CH2 4.05Å; I282-W305 HydrophobicContact CD1-CZ2 4.3Å; I282-W305 HydrophobicContact CD1-CZ3 4.03Å; I282-I309 HydrophobicContact CD1-CG1 3.62Å; I282-I309 HydrophobicContact CG1-CG1 4.41Å |
| 283 | Q | 80.2 | Confident | 77.4 | Confident | 4 Ų | 4 | 53.2 Ų | 53.2 | 2% | 0.019 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.8 | -42.2 | 177.5 | -65.6 | -64 | -13.4 | 0 | 0 | 112.2 | F223 F227 W279 T280 I286 I287 | F223-Q283 HydrophobicContact CD2-CB 4.24Å; F223-Q283 HydrophobicContact CE2-CB 4.38Å; F227-Q283 HydrophobicContact CB-CG 4.16Å; F227-Q283 HydrophobicContact CD2-CG 4.07Å; F227-Q283 HydrophobicContact CG-CG 4.08Å; W279-Q283 VanDerWaalsContact O-CG 3.29Å; W279-Q283 WeakPolarHBondContact O-CG 3.39Å; W279-Q283 PolarHBondContact O-N 2.7Å; T280-Q283 PolarHBondContact O-N 2.88Å; Q283-I286 PolarHBondContact O-N 3.21Å; Q283-I287 WeakPolarHBondContact O-CG1 3.37Å; Q283-I287 PolarHBondContact O-N 3.21Å; Q283-I287 VanDerWaalsContact O-N 3.11Å |
| 284 | I | 82.1 | Confident | 77 | Confident | 93 Ų | 93 | 53.6 Ų | 53.6 | 48% | 0.477 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -62.1 | -47.5 | 173.6 | -68.4 | 176.6 | 0 | 0 | 0 | 109.8 | T280 P281 I286 I287 V288 | T280-I284 HydrophobicContact CG2-CD1 3.47Å; T280-I284 VanDerWaalsContact CG2-CD1 3.47Å; T280-I284 HydrophobicContact CG2-CG1 3.93Å; T280-I284 WeakPolarHBondContact O-CG1 3.15Å; T280-I284 PolarHBondContact O-N 2.59Å; P281-I284 PolarHBondContact O-N 2.63Å; I284-I286 VanDerWaalsContact C-N 3.3Å; I284-I286 PolarHBondContact O-N 2.75Å; I284-I287 PolarHBondContact O-N 2.92Å; I284-I287 VanDerWaalsContact O-N 3.15Å; I284-V288 HydrophobicContact CG2-CG2 3.89Å; I284-V288 VanDerWaalsContact O-CG2 3.28Å; I284-V288 WeakPolarHBondContact O-CG2 3.04Å; I284-V288 PolarHBondContact O-N 3.31Å |
| 285 | F | 79 | Confident | 76.5 | Confident | 49 Ų | 49 | 57.3 Ų | 57.3 | 22% | 0.215 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -58.9 | -41.1 | 179.4 | -101.1 | -71.6 | 0 | 0 | 0 | 112.6 | P281 I282 R289 W305 S308 | P281-F285 WeakPolarHBondContact O-CB 3.12Å; P281-F285 WeakPolarHBondContact O-CD2 3.29Å; P281-F285 PolarHBondContact O-N 3.35Å; I282-F285 PolarHBondContact O-N 3.37Å; F285-R289 VanDerWaalsContact O-CB 3.31Å; F285-R289 WeakPolarHBondContact O-CB 3.35Å; F285-R289 PolarHBondContact O-N 3.02Å; F285-W305 HydrophobicContact CB-CE3 3.92Å; F285-W305 HydrophobicContact CB-CZ3 3.99Å; F285-W305 HydrophobicContact CD1-CE3 4.31Å; F285-W305 HydrophobicContact CG-CE3 4.32Å; F285-S308 VanDerWaalsContact CD2-OG 3.26Å; F285-S308 WeakPolarHBondContact CD2-OG 3.38Å |
| 286 | I | 74.9 | Confident | 76 | Confident | 40 Ų | 40 | 59.7 Ų | 59.7 | 21% | 0.205 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -61.2 | -45.6 | 175.9 | -70.9 | 163.4 | 0 | 0 | 0 | 110.9 | K219 I282 Q283 I284 T290 W305 | K219-I286 HydrophobicContact CB-CG2 4.44Å; K219-I286 HydrophobicContact CD-CG2 4.44Å; K219-I286 HydrophobicContact CG-CG2 4.23Å; I282-I286 HydrophobicContact CG1-CD1 4.05Å; I282-I286 WeakPolarHBondContact O-CD1 3.42Å; I282-I286 WeakPolarHBondContact O-CG1 3.26Å; I282-I286 PolarHBondContact O-N 2.83Å; Q283-I286 PolarHBondContact O-N 3.21Å; I284-I286 VanDerWaalsContact C-N 3.3Å; I284-I286 PolarHBondContact O-N 2.75Å; I286-T290 WeakPolarHBondContact O-CB 3.41Å; I286-T290 PolarHBondContact O-N 3.01Å; I286-T290 PolarHBondContact O-OG1 3.25Å; I286-W305 HydrophobicContact CG1-CH2 3.93Å; I286-W305 HydrophobicContact CG1-CZ3 4.13Å |
| 287 | I | 75.3 | Confident | 75.2 | Confident | 61 Ų | 61 | 63 Ų | 63 | 31% | 0.313 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.7 | -50.8 | 179.5 | -68.5 | 169.7 | 0 | 0 | 0 | 110.8 | F223 Q283 I284 R289 T290 M291 | F223-I287 HydrophobicContact CD1-CD1 4.23Å; F223-I287 HydrophobicContact CD2-CD1 3.6Å; F223-I287 HydrophobicContact CD2-CG1 4.45Å; F223-I287 HydrophobicContact CE1-CD1 4.05Å; F223-I287 HydrophobicContact CE2-CD1 3.41Å; F223-I287 VanDerWaalsContact CE2-CD1 3.41Å; F223-I287 HydrophobicContact CG-CD1 4.01Å; F223-I287 HydrophobicContact CZ-CD1 3.65Å; Q283-I287 WeakPolarHBondContact O-CG1 3.37Å; Q283-I287 PolarHBondContact O-N 3.21Å; Q283-I287 VanDerWaalsContact O-N 3.11Å; I284-I287 PolarHBondContact O-N 2.92Å; I284-I287 VanDerWaalsContact O-N 3.15Å; I287-R289 VanDerWaalsContact C-N 3.32Å; I287-R289 PolarHBondContact O-N 3.29Å; I287-T290 PolarHBondContact O-N 3.27Å; I287-M291 HydrophobicContact CG2-CG 4.17Å; I287-M291 WeakPolarHBondContact O-CG 3.24Å; I287-M291 PolarHBondContact O-N 3.4Å |
| 288 | V | 78.4 | Confident | 74.6 | Confident | 57 Ų | 57 | 60.8 Ų | 60.8 | 35% | 0.345 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.5 | -44.4 | -176.2 | 177.7 | 0 | 0 | 0 | 0 | 110.4 | I284 T290 M291 V292 I294 | I284-V288 HydrophobicContact CG2-CG2 3.89Å; I284-V288 VanDerWaalsContact O-CG2 3.28Å; I284-V288 WeakPolarHBondContact O-CG2 3.04Å; I284-V288 PolarHBondContact O-N 3.31Å; V288-T290 PolarHBondContact O-N 2.95Å; V288-M291 PolarHBondContact O-N 3.43Å; V288-V292 WeakPolarHBondContact O-CB 3.37Å; V288-V292 PolarHBondContact O-N 3.48Å; V288-I294 HydrophobicContact CB-CD1 4.5Å; V288-I294 HydrophobicContact CG1-CD1 3.53Å |
| 289 | R | 69.1 | Low | 74 | Confident | 30 Ų | 30 | 63.4 Ų | 63.4 | 11% | 0.113 | 33% | 0.327 | C | S | . | . | H | α-helix | trans | -65.6 | -23.1 | 176 | -91.5 | -155 | -178.1 | -150 | 4.3 | 114.5 | F24 F285 I287 I294 T296 | F24-R289 HydrophobicContact CE1-CB 4.25Å; F24-R289 VanDerWaalsContact CE2-O 3.28Å; F24-R289 WeakPolarHBondContact CE2-O 3.27Å; F24-R289 HydrophobicContact CZ-CB 3.73Å; F24-R289 HydrophobicContact CZ-CG 4.38Å; F24-R289 WeakPolarHBondContact CZ-O 3.41Å; F285-R289 VanDerWaalsContact O-CB 3.31Å; F285-R289 WeakPolarHBondContact O-CB 3.35Å; F285-R289 PolarHBondContact O-N 3.02Å; I287-R289 VanDerWaalsContact C-N 3.32Å; I287-R289 PolarHBondContact O-N 3.29Å; R289-I294 HydrophobicContact CG-CD1 4.17Å; R289-T296 VanDerWaalsContact NH1-CG2 3.32Å |
| 290 | T | 66.6 | Low | 73.7 | Confident | 44 Ų | 44 | 69.8 Ų | 69.8 | 27% | 0.27 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -83.8 | -28.8 | 176.9 | -55.4 | 0 | 0 | 0 | 0 | 111.4 | K219 I286 I287 V288 | K219-T290 HydrophobicContact CD-CG2 4.44Å; I286-T290 WeakPolarHBondContact O-CB 3.41Å; I286-T290 PolarHBondContact O-N 3.01Å; I286-T290 PolarHBondContact O-OG1 3.25Å; I287-T290 PolarHBondContact O-N 3.27Å; V288-T290 PolarHBondContact O-N 2.95Å |
| 291 | M | 70.9 | Confident | 73.4 | Confident | 138 Ų | 138 | 69.4 Ų | 69.4 | 68% | 0.68 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -98 | -21.8 | -175.9 | -61.8 | -66.2 | 174.6 | 0 | 0 | 113.7 | I287 V288 | I287-M291 HydrophobicContact CG2-CG 4.17Å; I287-M291 WeakPolarHBondContact O-CG 3.24Å; I287-M291 PolarHBondContact O-N 3.4Å; V288-M291 PolarHBondContact O-N 3.43Å |
| 292 | V | 75.8 | Confident | 72.8 | Confident | 81 Ų | 81 | 68 Ų | 68 | 49% | 0.491 | 34% | 0.343 | S | S | . | . | S | Bend | trans | -134.9 | 131.3 | -174.1 | -175.2 | 0 | 0 | 0 | 0 | 109.9 | V288 I294 | V288-V292 WeakPolarHBondContact O-CB 3.37Å; V288-V292 PolarHBondContact O-N 3.48Å; V292-I294 HydrophobicContact CG1-CG1 4.35Å; V292-I294 PolarHBondContact O-N 3.42Å |
| 293 | E | 66.7 | Low | 72.5 | Confident | 164 Ų | 164 | 68.8 Ų | 68.8 | 77% | 0.766 | 35% | 0.353 | S | S | * | . | trans | -69 | 100.7 | 168.4 | -65.8 | -174.9 | 178.9 | 0 | 0 | 109.3 | I22 | I22-E293 HydrophobicContact CD1-CG 3.63Å; I22-E293 VanDerWaalsContact CD1-OE1 3.27Å; I22-E293 WeakPolarHBondContact CD1-OE1 3.35Å | ||
| 294 | I | 66.7 | Low | 72.5 | Confident | 51 Ų | 51 | 70.9 Ų | 70.9 | 26% | 0.262 | 37% | 0.367 | S | S | . | . | trans | -96.2 | 136.3 | 173.8 | -63.9 | 166.4 | 0 | 0 | 0 | 108.2 | V288 R289 V292 T296 V301 | V288-I294 HydrophobicContact CB-CD1 4.5Å; V288-I294 HydrophobicContact CG1-CD1 3.53Å; R289-I294 HydrophobicContact CG-CD1 4.17Å; V292-I294 HydrophobicContact CG1-CG1 4.35Å; V292-I294 PolarHBondContact O-N 3.42Å; I294-T296 WeakPolarHBondContact O-CG2 3.35Å; I294-T296 PolarHBondContact O-N 3.06Å; I294-V301 HydrophobicContact CG2-CG1 3.93Å; I294-V301 HydrophobicContact CG2-CG2 3.85Å | ||
| 295 | D | 68.3 | Low | 72.4 | Confident | 97 Ų | 97 | 68.7 Ų | 68.7 | 52% | 0.519 | 35% | 0.353 | S | S | . | . | trans | -58.9 | 106.1 | 170.2 | -179.9 | 21.5 | 0 | 0 | 0 | 110.6 | R297 | D295-R297 PolarHBondContact O-N 2.74Å; D295-R297 VanDerWaalsContact OD1-CB 3.32Å; D295-R297 WeakPolarHBondContact OD1-CB 3.4Å; D295-R297 PolarHBondContact OD1-N 2.99Å; D295-R297 VanDerWaalsContact OD1-N 3.08Å | ||
| 296 | T | 64.6 | Low | 72.4 | Confident | 57 Ų | 57 | 67.2 Ų | 67.2 | 35% | 0.35 | 35% | 0.347 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.9 | -6.7 | -177.3 | 60.3 | 0 | 0 | 0 | 0 | 113 | R289 I294 | R289-T296 VanDerWaalsContact NH1-CG2 3.32Å; I294-T296 WeakPolarHBondContact O-CG2 3.35Å; I294-T296 PolarHBondContact O-N 3.06Å |
| 297 | R | 64.1 | Low | 72.8 | Confident | 134 Ų | 134 | 70.4 Ų | 70.4 | 51% | 0.506 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -15.3 | 176.5 | -59.4 | 176.5 | 171.6 | 168.5 | -8.6 | 112.5 | E31 E34 D295 P299 | E31-R297 IonicContact OE1-NH2 3.49Å; E31-R297 PolarHBondContact OE1-NH2 3.21Å; E31-R297 IonicContact OE2-CZ 3.17Å; E31-R297 IonicContact OE2-NE 2.76Å; E31-R297 PolarHBondContact OE2-NE 3.38Å; E31-R297 IonicContact OE2-NH2 2.74Å; E31-R297 PolarHBondContact OE2-NH2 3.29Å; E34-R297 IonicContact OE2-NH2 3.88Å; D295-R297 PolarHBondContact O-N 2.74Å; D295-R297 VanDerWaalsContact OD1-CB 3.32Å; D295-R297 WeakPolarHBondContact OD1-CB 3.4Å; D295-R297 PolarHBondContact OD1-N 2.99Å; D295-R297 VanDerWaalsContact OD1-N 3.08Å; R297-P299 WeakPolarHBondContact O-CD 3.36Å |
| 298 | N | 72.2 | Confident | 73.2 | Confident | 60 Ų | 60 | 67.9 Ų | 67.9 | 32% | 0.321 | 35% | 0.351 | S | S | . | . | trans | -69.2 | 120 | 178.8 | -173.6 | -29.9 | 0 | 0 | 0 | 111.1 | F300 V301 I302 | N298-F300 PolarHBondContact O-N 3.07Å; N298-F300 VanDerWaalsContact O-N 3.16Å; N298-F300 WeakPolarHBondContact OD1-CB 3.46Å; N298-F300 VanDerWaalsContact OD1-CD2 3.31Å; N298-F300 WeakPolarHBondContact OD1-CD2 3.46Å; N298-F300 PolarHBondContact OD1-N 2.89Å; N298-V301 HydrophobicContact CB-CB 4.31Å; N298-V301 HydrophobicContact CB-CG2 3.88Å; N298-V301 WeakPolarHBondContact O-CB 3.41Å; N298-V301 PolarHBondContact O-N 3.49Å; N298-I302 PolarHBondContact O-N 2.9Å | ||
| 299 | P | 69.6 | Low | 73.3 | Confident | 59 Ų | 59 | 67 Ų | 67 | 38% | 0.383 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.8 | -28.2 | -178.2 | 24.4 | -34.5 | 0 | 0 | 0 | 113.1 | I52 R297 I302 A303 | I52-P299 HydrophobicContact CD1-CB 4.06Å; R297-P299 WeakPolarHBondContact O-CD 3.36Å; P299-I302 PolarHBondContact O-N 3.18Å; P299-A303 VanDerWaalsContact O-CB 3.3Å; P299-A303 WeakPolarHBondContact O-CB 3.5Å; P299-A303 PolarHBondContact O-N 2.78Å |
| 300 | F | 74.6 | Confident | 74 | Confident | 158 Ų | 158 | 65.6 Ų | 65.6 | 69% | 0.693 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.8 | -35.5 | 175.2 | -66.6 | -77 | 0 | 0 | 0 | 112.2 | N298 S304 | N298-F300 PolarHBondContact O-N 3.07Å; N298-F300 VanDerWaalsContact O-N 3.16Å; N298-F300 WeakPolarHBondContact OD1-CB 3.46Å; N298-F300 VanDerWaalsContact OD1-CD2 3.31Å; N298-F300 WeakPolarHBondContact OD1-CD2 3.46Å; N298-F300 PolarHBondContact OD1-N 2.89Å; F300-S304 VanDerWaalsContact O-CB 3.24Å; F300-S304 WeakPolarHBondContact O-CB 3.44Å; F300-S304 PolarHBondContact O-N 3.27Å; F300-S304 PolarHBondContact O-OG 3.42Å |
| 301 | V | 76.1 | Confident | 74.9 | Confident | 23 Ų | 23 | 66.1 Ų | 66.1 | 14% | 0.139 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -70.3 | -42.4 | 177.2 | 177 | 0 | 0 | 0 | 0 | 110.2 | I294 N298 S304 W305 | I294-V301 HydrophobicContact CG2-CG1 3.93Å; I294-V301 HydrophobicContact CG2-CG2 3.85Å; N298-V301 HydrophobicContact CB-CB 4.31Å; N298-V301 HydrophobicContact CB-CG2 3.88Å; N298-V301 WeakPolarHBondContact O-CB 3.41Å; N298-V301 PolarHBondContact O-N 3.49Å; V301-S304 PolarHBondContact O-N 3.4Å; V301-W305 WeakPolarHBondContact O-CB 3.46Å; V301-W305 PolarHBondContact O-N 2.94Å |
| 302 | I | 72.8 | Confident | 75.4 | Confident | 11 Ų | 11 | 59.9 Ų | 59.9 | 6% | 0.056 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -60.6 | -51.2 | 175.1 | -60.7 | 172.4 | 0 | 0 | 0 | 110.2 | F28 L32 N298 P299 S304 W305 H306 | F28-I302 HydrophobicContact CD1-CG1 4.18Å; F28-I302 HydrophobicContact CE1-CB 4.19Å; F28-I302 HydrophobicContact CE1-CG1 3.68Å; F28-I302 HydrophobicContact CE1-CG2 4.21Å; F28-I302 HydrophobicContact CZ-CB 4.44Å; F28-I302 HydrophobicContact CZ-CG1 4.41Å; F28-I302 HydrophobicContact CZ-CG2 4.23Å; L32-I302 HydrophobicContact CD1-CD1 4.08Å; N298-I302 PolarHBondContact O-N 2.9Å; P299-I302 PolarHBondContact O-N 3.18Å; I302-S304 PolarHBondContact O-N 2.89Å; I302-W305 PolarHBondContact O-N 2.87Å; I302-H306 PolarHBondContact O-CD2 2.95Å; I302-H306 VanDerWaalsContact O-CD2 3.24Å; I302-H306 PolarHBondContact O-N 3.14Å |
| 303 | A | 74.4 | Confident | 75.8 | Confident | 34 Ų | 34 | 57.3 Ų | 57.3 | 28% | 0.281 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -60.4 | -44.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112 | P299 W305 H306 L307 | P299-A303 VanDerWaalsContact O-CB 3.3Å; P299-A303 WeakPolarHBondContact O-CB 3.5Å; P299-A303 PolarHBondContact O-N 2.78Å; A303-W305 VanDerWaalsContact C-N 3.34Å; A303-W305 PolarHBondContact O-N 3.12Å; A303-H306 PolarHBondContact O-N 2.84Å; A303-L307 VanDerWaalsContact O-CB 3.25Å; A303-L307 WeakPolarHBondContact O-CB 3.5Å; A303-L307 PolarHBondContact O-N 3.14Å |
| 304 | S | 81.1 | Confident | 76.7 | Confident | 47 Ų | 47 | 51 Ų | 51 | 33% | 0.329 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -64.7 | -37.5 | 179.6 | -59.6 | 0 | 0 | 0 | 0 | 112.6 | F300 V301 I302 S308 | F300-S304 VanDerWaalsContact O-CB 3.24Å; F300-S304 WeakPolarHBondContact O-CB 3.44Å; F300-S304 PolarHBondContact O-N 3.27Å; F300-S304 PolarHBondContact O-OG 3.42Å; V301-S304 PolarHBondContact O-N 3.4Å; I302-S304 PolarHBondContact O-N 2.89Å; S304-S308 WeakPolarHBondContact O-CB 3.26Å; S304-S308 PolarHBondContact O-N 3.35Å; S304-S308 PolarHBondContact O-OG 3.41Å |
| 305 | W | 79.7 | Confident | 77.5 | Confident | 47 Ų | 47 | 48.8 Ų | 48.8 | 18% | 0.178 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.8 | -50.7 | 174.6 | 174.3 | -90.4 | 0 | 0 | 0 | 111.7 | F28 I282 F285 I286 V301 I302 A303 L307 S308 I309 | F28-W305 AromaticContact CE2-CD1 3.24Å; F28-W305 AromaticContact CE2-CG 4Å; F28-W305 HydrophobicContact CE2-CG 4Å; F28-W305 AromaticContact CE2-NE1 3.57Å; F28-W305 HydrophobicContact CZ-CB 3.96Å; F28-W305 AromaticContact CZ-CD1 3.43Å; F28-W305 VanDerWaalsContact CZ-CD1 3.43Å; F28-W305 AromaticContact CZ-CG 3.72Å; F28-W305 HydrophobicContact CZ-CG 3.72Å; I282-W305 HydrophobicContact CD1-CE3 4.28Å; I282-W305 HydrophobicContact CD1-CH2 4.05Å; I282-W305 HydrophobicContact CD1-CZ2 4.3Å; I282-W305 HydrophobicContact CD1-CZ3 4.03Å; F285-W305 HydrophobicContact CB-CE3 3.92Å; F285-W305 HydrophobicContact CB-CZ3 3.99Å; F285-W305 HydrophobicContact CD1-CE3 4.31Å; F285-W305 HydrophobicContact CG-CE3 4.32Å; I286-W305 HydrophobicContact CG1-CH2 3.93Å; I286-W305 HydrophobicContact CG1-CZ3 4.13Å; V301-W305 WeakPolarHBondContact O-CB 3.46Å; V301-W305 PolarHBondContact O-N 2.94Å; I302-W305 PolarHBondContact O-N 2.87Å; A303-W305 VanDerWaalsContact C-N 3.34Å; A303-W305 PolarHBondContact O-N 3.12Å; W305-L307 VanDerWaalsContact C-N 3.32Å; W305-L307 PolarHBondContact O-N 2.94Å; W305-S308 WeakPolarHBondContact O-CB 3.35Å; W305-S308 PolarHBondContact O-N 2.96Å; W305-S308 VanDerWaalsContact O-N 3.14Å; W305-I309 HydrophobicContact CZ2-CD1 4.14Å; W305-I309 PolarHBondContact O-N 3.36Å |
| 306 | H | 78 | Confident | 78.2 | Confident | 18 Ų | 18 | 44.2 Ų | 44.2 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -65.9 | -35.5 | 179.5 | -79.1 | -72.1 | 0 | 0 | 0 | 112.8 | F28 I56 Y113 I302 A303 S308 I309 A310 | F28-H306 AromaticContact CD2-NE2 3.72Å; F28-H306 AromaticContact CE2-CD2 3.92Å; F28-H306 AromaticContact CE2-CE1 3.99Å; F28-H306 AromaticContact CE2-NE2 3.27Å; F28-H306 VanDerWaalsContact CE2-NE2 3.27Å; F28-H306 WeakPolarHBondContact CE2-NE2 3.39Å; I56-H306 HydrophobicContact CD1-CB 3.49Å; I56-H306 VanDerWaalsContact CD1-CB 3.49Å; I56-H306 HydrophobicContact CG1-CB 3.97Å; I56-H306 HydrophobicContact CG2-CB 4.39Å; Y113-H306 AromaticContact CD2-CE1 3.68Å; Y113-H306 AromaticContact CD2-NE2 3.81Å; Y113-H306 AromaticContact CE2-CD2 3.88Å; Y113-H306 AromaticContact CE2-CE1 3.69Å; Y113-H306 AromaticContact CE2-NE2 3.35Å; Y113-H306 VanDerWaalsContact CE2-NE2 3.35Å; Y113-H306 WeakPolarHBondContact CE2-NE2 3.33Å; I302-H306 PolarHBondContact O-CD2 2.95Å; I302-H306 VanDerWaalsContact O-CD2 3.24Å; I302-H306 PolarHBondContact O-N 3.14Å; A303-H306 PolarHBondContact O-N 2.84Å; H306-S308 VanDerWaalsContact C-N 3.34Å; H306-I309 PolarHBondContact O-N 2.75Å; H306-A310 WeakPolarHBondContact O-CB 3.46Å; H306-A310 PolarHBondContact O-N 3.36Å |
| 307 | L | 82.9 | Confident | 79 | Confident | 107 Ų | 107 | 42 Ų | 42 | 56% | 0.56 | 22% | 0.218 | S | C | * | . | H | α-helix | trans | -63.6 | -40.9 | 172.5 | -176 | 63.9 | 0 | 0 | 0 | 111.2 | L59 A303 W305 A310 L311 | L59-L307 HydrophobicContact CD2-CD1 4.4Å; A303-L307 VanDerWaalsContact O-CB 3.25Å; A303-L307 WeakPolarHBondContact O-CB 3.5Å; A303-L307 PolarHBondContact O-N 3.14Å; W305-L307 VanDerWaalsContact C-N 3.32Å; W305-L307 PolarHBondContact O-N 2.94Å; L307-A310 WeakPolarHBondContact O-CB 3.44Å; L307-A310 PolarHBondContact O-N 3.46Å; L307-L311 WeakPolarHBondContact O-CB 3.42Å; L307-L311 PolarHBondContact O-N 3.33Å |
| 308 | S | 83.9 | Confident | 79.8 | Confident | 8 Ų | 8 | 38.5 Ų | 38.5 | 6% | 0.056 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.3 | -41.1 | 176.5 | -60.5 | 0 | 0 | 0 | 0 | 111.9 | F285 S304 W305 H306 L311 G312 | F285-S308 VanDerWaalsContact CD2-OG 3.26Å; F285-S308 WeakPolarHBondContact CD2-OG 3.38Å; S304-S308 WeakPolarHBondContact O-CB 3.26Å; S304-S308 PolarHBondContact O-N 3.35Å; S304-S308 PolarHBondContact O-OG 3.41Å; W305-S308 WeakPolarHBondContact O-CB 3.35Å; W305-S308 PolarHBondContact O-N 2.96Å; W305-S308 VanDerWaalsContact O-N 3.14Å; H306-S308 VanDerWaalsContact C-N 3.34Å; S308-L311 PolarHBondContact O-N 2.71Å; S308-G312 PolarHBondContact O-N 3.3Å; S308-G312 VanDerWaalsContact O-N 3.12Å |
| 309 | I | 81.4 | Confident | 80.2 | Confident | 39 Ų | 39 | 36 Ų | 36 | 20% | 0.2 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -63.2 | -47.1 | 172.4 | -68.8 | 179.6 | 0 | 0 | 0 | 110.8 | Y60 I282 W305 H306 L311 G312 Y313 | Y60-I309 WeakPolarHBondContact OH-CG2 3.06Å; I282-I309 HydrophobicContact CD1-CG1 3.62Å; I282-I309 HydrophobicContact CG1-CG1 4.41Å; W305-I309 HydrophobicContact CZ2-CD1 4.14Å; W305-I309 PolarHBondContact O-N 3.36Å; H306-I309 PolarHBondContact O-N 2.75Å; I309-L311 PolarHBondContact O-N 2.92Å; I309-G312 WeakPolarHBondContact O-CA 3.05Å; I309-G312 PolarHBondContact O-N 3.37Å; I309-G312 VanDerWaalsContact O-N 3.08Å; I309-Y313 HydrophobicContact CG2-CD2 3.68Å; I309-Y313 HydrophobicContact CG2-CE2 3.41Å; I309-Y313 VanDerWaalsContact CG2-CE2 3.41Å; I309-Y313 VanDerWaalsContact O-CD2 3.26Å; I309-Y313 WeakPolarHBondContact O-CD2 3.35Å; I309-Y313 PolarHBondContact O-N 3Å |
| 310 | A | 83.1 | Confident | 80.4 | Confident | 1 Ų | 1 | 33.8 Ų | 33.8 | 1% | 0.008 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -57.8 | -39.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L59 Y60 I63 H306 L307 Y313 T314 | L59-A310 HydrophobicContact CD2-CB 3.39Å; L59-A310 HydrophobicContact CG-CB 4.08Å; Y60-A310 HydrophobicContact CD1-CB 4.29Å; Y60-A310 HydrophobicContact CE1-CB 3.71Å; I63-A310 HydrophobicContact CD1-CB 4.26Å; I63-A310 WeakPolarHBondContact CD1-O 3.32Å; H306-A310 WeakPolarHBondContact O-CB 3.46Å; H306-A310 PolarHBondContact O-N 3.36Å; L307-A310 WeakPolarHBondContact O-CB 3.44Å; L307-A310 PolarHBondContact O-N 3.46Å; A310-Y313 PolarHBondContact O-N 2.86Å; A310-T314 WeakPolarHBondContact O-CB 3.49Å; A310-T314 PolarHBondContact O-N 3.22Å; A310-T314 PolarHBondContact O-OG1 2.89Å |
| 311 | L | 85 | Confident | 80.4 | Confident | 54 Ų | 54 | 29.1 Ų | 29.1 | 28% | 0.283 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -66.6 | -38.5 | 177.9 | -159.4 | 73.7 | 0 | 0 | 0 | 111.6 | I277 C278 P281 L307 S308 I309 T314 N315 | I277-L311 HydrophobicContact CG2-CD2 4.38Å; I277-L311 WeakPolarHBondContact O-CD2 3.36Å; C278-L311 HydrophobicContact CB-CG 4.44Å; C278-L311 WeakPolarHBondContact CB-O 3.4Å; P281-L311 HydrophobicContact CG-CD2 3.81Å; L307-L311 WeakPolarHBondContact O-CB 3.42Å; L307-L311 PolarHBondContact O-N 3.33Å; S308-L311 PolarHBondContact O-N 2.71Å; I309-L311 PolarHBondContact O-N 2.92Å; L311-T314 WeakPolarHBondContact O-CB 3.39Å; L311-T314 PolarHBondContact O-N 2.9Å; L311-T314 VanDerWaalsContact O-N 3.16Å; L311-N315 PolarHBondContact O-N 3Å |
| 312 | G | 83.3 | Confident | 80.1 | Confident | 8 Ų | 8 | 29.5 Ų | 29.5 | 8% | 0.082 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -56.3 | -49.5 | 170 | 0 | 0 | 0 | 0 | 0 | 112.2 | C278 S308 I309 T314 N315 | C278-G312 PolarHBondContact O-N 3.19Å; S308-G312 PolarHBondContact O-N 3.3Å; S308-G312 VanDerWaalsContact O-N 3.12Å; I309-G312 WeakPolarHBondContact O-CA 3.05Å; I309-G312 PolarHBondContact O-N 3.37Å; I309-G312 VanDerWaalsContact O-N 3.08Å; G312-T314 VanDerWaalsContact C-N 3.29Å; G312-T314 PolarHBondContact O-N 2.73Å; G312-N315 WeakPolarHBondContact O-CB 3.44Å; G312-N315 PolarHBondContact O-N 3.03Å |
| 313 | Y | 83.8 | Confident | 80 | Confident | 26 Ų | 26 | 30.2 Ų | 30.2 | 10% | 0.102 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -67.3 | -27.6 | 175.7 | -72.7 | -70.3 | 0 | 0 | 0 | 113.7 | A102 L106 D132 I309 A310 N315 S316 S317 | A102-Y313 HydrophobicContact CB-CD1 4.49Å; A102-Y313 HydrophobicContact CB-CE1 4.22Å; L106-Y313 HydrophobicContact CD2-CD1 3.9Å; L106-Y313 HydrophobicContact CD2-CD2 3.67Å; L106-Y313 HydrophobicContact CD2-CE1 3.98Å; L106-Y313 HydrophobicContact CD2-CE2 3.75Å; L106-Y313 HydrophobicContact CD2-CG 3.75Å; L106-Y313 HydrophobicContact CG-CD1 4.4Å; D132-Y313 PolarHBondContact OD1-OH 2.93Å; D132-Y313 VanDerWaalsContact OD1-OH 3.1Å; D132-Y313 PolarHBondContact OD2-OH 3.49Å; D132-Y313 VanDerWaalsContact OD2-OH 3.08Å; I309-Y313 HydrophobicContact CG2-CD2 3.68Å; I309-Y313 HydrophobicContact CG2-CE2 3.41Å; I309-Y313 VanDerWaalsContact CG2-CE2 3.41Å; I309-Y313 VanDerWaalsContact O-CD2 3.26Å; I309-Y313 WeakPolarHBondContact O-CD2 3.35Å; I309-Y313 PolarHBondContact O-N 3Å; A310-Y313 PolarHBondContact O-N 2.86Å; Y313-N315 PolarHBondContact O-N 3.15Å; Y313-S316 WeakPolarHBondContact O-CB 3.34Å; Y313-S316 PolarHBondContact O-N 3.07Å; Y313-S317 PolarHBondContact O-N 2.89Å |
| 314 | T | 84.3 | Confident | 79.7 | Confident | 32 Ų | 32 | 30 Ų | 30 | 20% | 0.196 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -61.3 | -33.3 | 176.1 | -59.9 | 0 | 0 | 0 | 0 | 110.8 | I63 A310 L311 G312 S316 S317 L318 | I63-T314 WeakPolarHBondContact CD1-OG1 3.37Å; A310-T314 WeakPolarHBondContact O-CB 3.49Å; A310-T314 PolarHBondContact O-N 3.22Å; A310-T314 PolarHBondContact O-OG1 2.89Å; L311-T314 WeakPolarHBondContact O-CB 3.39Å; L311-T314 PolarHBondContact O-N 2.9Å; L311-T314 VanDerWaalsContact O-N 3.16Å; G312-T314 VanDerWaalsContact C-N 3.29Å; G312-T314 PolarHBondContact O-N 2.73Å; T314-S316 PolarHBondContact O-N 2.78Å; T314-S317 WeakPolarHBondContact CA-OG 3.28Å; T314-S317 CarbonylContact O-C 3.51Å; T314-S317 PolarHBondContact O-N 3.43Å; T314-S317 PolarHBondContact O-OG 3.38Å; T314-L318 HydrophobicContact CG2-CD1 3.89Å; T314-L318 HydrophobicContact CG2-CG 3.94Å; T314-L318 VanDerWaalsContact O-CG 3.29Å; T314-L318 WeakPolarHBondContact O-CG 3.28Å; T314-L318 PolarHBondContact O-N 3.25Å |
| 315 | N | 84.1 | Confident | 78.9 | Confident | 5 Ų | 5 | 34.8 Ų | 34.8 | 3% | 0.027 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -53.4 | -43.2 | 172.8 | -172.4 | 63.9 | 0 | 0 | 0 | 111.9 | C278 W279 L311 G312 Y313 S317 L318 N319 | C278-N315 HydrophobicContact CB-CB 3.77Å; W279-N315 PolarHBondContact NE1-ND2 3.05Å; L311-N315 PolarHBondContact O-N 3Å; G312-N315 WeakPolarHBondContact O-CB 3.44Å; G312-N315 PolarHBondContact O-N 3.03Å; Y313-N315 PolarHBondContact O-N 3.15Å; N315-S317 VanDerWaalsContact C-N 3.35Å; N315-S317 PolarHBondContact O-N 3.49Å; N315-L318 PolarHBondContact O-N 2.97Å; N315-N319 PolarHBondContact O-N 2.66Å; N315-N319 PolarHBondContact O-ND2 3.48Å |
| 316 | S | 82.8 | Confident | 78 | Confident | 1 Ų | 1 | 34.7 Ų | 34.7 | 1% | 0.007 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -67.5 | -31.9 | 178 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | N71 D99 Y313 T314 | N71-S316 PolarHBondContact ND2-O 3.32Å; D99-S316 VanDerWaalsContact CG-CB 3.41Å; D99-S316 WeakPolarHBondContact OD1-CB 3.31Å; D99-S316 PolarHBondContact OD1-OG 3.3Å; Y313-S316 WeakPolarHBondContact O-CB 3.34Å; Y313-S316 PolarHBondContact O-N 3.07Å; T314-S316 PolarHBondContact O-N 2.78Å |
| 317 | S | 81.3 | Confident | 77.4 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 8% | 0.077 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -82.6 | -22.3 | 175.1 | 60.6 | 0 | 0 | 0 | 0 | 114.3 | Y313 T314 N315 | Y313-S317 PolarHBondContact O-N 2.89Å; T314-S317 WeakPolarHBondContact CA-OG 3.28Å; T314-S317 CarbonylContact O-C 3.51Å; T314-S317 PolarHBondContact O-N 3.43Å; T314-S317 PolarHBondContact O-OG 3.38Å; N315-S317 VanDerWaalsContact C-N 3.35Å; N315-S317 PolarHBondContact O-N 3.49Å |
| 318 | L | 81.1 | Confident | 76.6 | Confident | 60 Ų | 60 | 36 Ų | 36 | 31% | 0.314 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -76.2 | -27.5 | 179.9 | -76 | 172.5 | 0 | 0 | 0 | 112.3 | T314 N315 V321 L322 | T314-L318 HydrophobicContact CG2-CD1 3.89Å; T314-L318 HydrophobicContact CG2-CG 3.94Å; T314-L318 VanDerWaalsContact O-CG 3.29Å; T314-L318 WeakPolarHBondContact O-CG 3.28Å; T314-L318 PolarHBondContact O-N 3.25Å; N315-L318 PolarHBondContact O-N 2.97Å; L318-V321 WeakPolarHBondContact O-CB 3.29Å; L318-V321 PolarHBondContact O-N 3.2Å; L318-V321 VanDerWaalsContact O-N 3.16Å; L318-L322 WeakPolarHBondContact O-CG 3.41Å; L318-L322 PolarHBondContact O-N 3.24Å |
| 319 | N | 80.1 | Confident | 75.7 | Confident | 6 Ų | 6 | 39.6 Ų | 39.6 | 3% | 0.032 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -56.6 | -50.8 | -175.5 | -68.9 | -33.2 | 0 | 0 | 0 | 113.6 | L95 D99 N315 V321 L322 Y323 | L95-N319 HydrophobicContact CD2-CB 4.35Å; L95-N319 WeakPolarHBondContact CD2-ND2 3.32Å; D99-N319 PolarHBondContact OD2-ND2 2.98Å; N315-N319 PolarHBondContact O-N 2.66Å; N315-N319 PolarHBondContact O-ND2 3.48Å; N319-V321 VanDerWaalsContact C-N 3.32Å; N319-V321 PolarHBondContact O-N 3.12Å; N319-L322 PolarHBondContact O-N 2.72Å; N319-Y323 HydrophobicContact CB-CE2 4.04Å; N319-Y323 WeakPolarHBondContact O-CD2 3.25Å; N319-Y323 WeakPolarHBondContact O-CE2 3.38Å; N319-Y323 VanDerWaalsContact O-CG 3.29Å; N319-Y323 PolarHBondContact O-N 2.68Å |
| 320 | P | 75.4 | Confident | 75 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 8% | 0.084 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60 | -38.8 | 175.3 | -25 | 35 | 0 | 0 | 0 | 113.8 | G70 N71 V74 Y323 A324 | G70-P320 VanDerWaalsContact C-CG 3.44Å; N71-P320 HydrophobicContact CB-CG 4.43Å; N71-P320 VanDerWaalsContact OD1-CG 3.31Å; N71-P320 WeakPolarHBondContact OD1-CG 3.24Å; V74-P320 HydrophobicContact CG2-CB 4.01Å; V74-P320 HydrophobicContact CG2-CG 4.31Å; P320-Y323 PolarHBondContact O-N 2.95Å; P320-A324 WeakPolarHBondContact O-CB 3.37Å; P320-A324 PolarHBondContact O-N 3.3Å |
| 321 | V | 73.3 | Confident | 74.5 | Confident | 61 Ų | 61 | 41.8 Ų | 41.8 | 37% | 0.37 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.3 | -46.8 | 178.8 | -179.2 | 0 | 0 | 0 | 0 | 109.7 | L318 N319 Y323 A324 F325 | L318-V321 WeakPolarHBondContact O-CB 3.29Å; L318-V321 PolarHBondContact O-N 3.2Å; L318-V321 VanDerWaalsContact O-N 3.16Å; N319-V321 VanDerWaalsContact C-N 3.32Å; N319-V321 PolarHBondContact O-N 3.12Å; V321-Y323 PolarHBondContact O-N 3.37Å; V321-A324 PolarHBondContact O-N 3Å; V321-F325 HydrophobicContact CG1-CD2 3.78Å; V321-F325 HydrophobicContact CG1-CE2 3.55Å; V321-F325 WeakPolarHBondContact O-CD2 3.27Å; V321-F325 PolarHBondContact O-N 3.47Å |
| 322 | L | 70.6 | Confident | 73.7 | Confident | 30 Ų | 30 | 45.6 Ų | 45.6 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 174.5 | -68.3 | 171.1 | 0 | 0 | 0 | 110.3 | V270 V271 L318 N319 A324 F325 L326 | V270-L322 HydrophobicContact CG1-CD2 3.83Å; V271-L322 HydrophobicContact CG2-CD1 4.27Å; L318-L322 WeakPolarHBondContact O-CG 3.41Å; L318-L322 PolarHBondContact O-N 3.24Å; N319-L322 PolarHBondContact O-N 2.72Å; L322-A324 VanDerWaalsContact C-N 3.33Å; L322-A324 PolarHBondContact O-N 3.44Å; L322-F325 PolarHBondContact O-N 2.87Å; L322-L326 HydrophobicContact CB-CD1 4.01Å; L322-L326 VanDerWaalsContact O-CB 3.22Å; L322-L326 WeakPolarHBondContact O-CB 3.48Å; L322-L326 WeakPolarHBondContact O-CD1 3.27Å; L322-L326 WeakPolarHBondContact O-CG 3.35Å; L322-L326 PolarHBondContact O-N 3.42Å |
| 323 | Y | 69.6 | Low | 73 | Confident | 27 Ų | 27 | 45.4 Ų | 45.4 | 11% | 0.106 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.1 | -39.7 | 179.6 | -57.1 | -39.9 | 0 | 0 | 0 | 113.3 | V74 I92 L95 N319 P320 V321 F325 L326 D327 | V74-Y323 HydrophobicContact CG2-CD2 4.26Å; I92-Y323 HydrophobicContact CB-CE2 4.45Å; I92-Y323 HydrophobicContact CD1-CD1 4.25Å; I92-Y323 HydrophobicContact CD1-CE1 4.04Å; I92-Y323 HydrophobicContact CG1-CE1 4.08Å; I92-Y323 HydrophobicContact CG1-CE2 4.33Å; I92-Y323 HydrophobicContact CG2-CD2 3.89Å; I92-Y323 HydrophobicContact CG2-CE2 3.56Å; L95-Y323 VanDerWaalsContact CD2-OH 3.29Å; L95-Y323 WeakPolarHBondContact CD2-OH 3.42Å; N319-Y323 HydrophobicContact CB-CE2 4.04Å; N319-Y323 WeakPolarHBondContact O-CD2 3.25Å; N319-Y323 WeakPolarHBondContact O-CE2 3.38Å; N319-Y323 VanDerWaalsContact O-CG 3.29Å; N319-Y323 PolarHBondContact O-N 2.68Å; P320-Y323 PolarHBondContact O-N 2.95Å; V321-Y323 PolarHBondContact O-N 3.37Å; Y323-F325 VanDerWaalsContact C-N 3.33Å; Y323-F325 PolarHBondContact O-N 3.44Å; Y323-L326 PolarHBondContact O-N 3.05Å; Y323-D327 PolarHBondContact O-N 3.31Å |
| 324 | A | 68.2 | Low | 72.3 | Confident | 29 Ų | 29 | 49.2 Ų | 49.2 | 24% | 0.24 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -63.6 | -35.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | P320 V321 L322 K331 | P320-A324 WeakPolarHBondContact O-CB 3.37Å; P320-A324 PolarHBondContact O-N 3.3Å; V321-A324 PolarHBondContact O-N 3Å; L322-A324 VanDerWaalsContact C-N 3.33Å; L322-A324 PolarHBondContact O-N 3.44Å; A324-K331 WeakPolarHBondContact O-CE 3.38Å; A324-K331 WeakPolarHBondContact O-CG 3.24Å |
| 325 | F | 65.6 | Low | 71.8 | Confident | 147 Ų | 147 | 54 Ų | 54 | 65% | 0.645 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -78.6 | -28.7 | 175.1 | -75.9 | -69 | 0 | 0 | 0 | 113.1 | V321 L322 Y323 | V321-F325 HydrophobicContact CG1-CD2 3.78Å; V321-F325 HydrophobicContact CG1-CE2 3.55Å; V321-F325 WeakPolarHBondContact O-CD2 3.27Å; V321-F325 PolarHBondContact O-N 3.47Å; L322-F325 PolarHBondContact O-N 2.87Å; Y323-F325 VanDerWaalsContact C-N 3.33Å; Y323-F325 PolarHBondContact O-N 3.44Å |
| 326 | L | 60.7 | Low | 71.1 | Confident | 45 Ų | 45 | 55.5 Ų | 55.5 | 24% | 0.236 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -92.5 | -35.9 | -167.9 | -65.7 | 165.9 | 0 | 0 | 0 | 113.5 | R263 M267 L322 Y323 | R263-L326 PolarHBondContact NH2-O 2.93Å; M267-L326 HydrophobicContact CB-CD1 4.45Å; M267-L326 HydrophobicContact CB-CD2 3.73Å; M267-L326 HydrophobicContact CG-CD1 3.37Å; M267-L326 HydrophobicContact CG-CD2 3.48Å; M267-L326 VanDerWaalsContact CG-CD2 3.48Å; M267-L326 HydrophobicContact CG-CG 3.95Å; M267-L326 HydrophobicContact SD-CB 3.91Å; M267-L326 HydrophobicContact SD-CD1 3.59Å; M267-L326 VanDerWaalsContact SD-CD1 3.59Å; M267-L326 HydrophobicContact SD-CD2 3.65Å; M267-L326 HydrophobicContact SD-CG 3.88Å; L322-L326 HydrophobicContact CB-CD1 4.01Å; L322-L326 VanDerWaalsContact O-CB 3.22Å; L322-L326 WeakPolarHBondContact O-CB 3.48Å; L322-L326 WeakPolarHBondContact O-CD1 3.27Å; L322-L326 WeakPolarHBondContact O-CG 3.35Å; L322-L326 PolarHBondContact O-N 3.42Å; Y323-L326 PolarHBondContact O-N 3.05Å |
| 327 | D | 65.6 | Low | 70.4 | Confident | 51 Ų | 51 | 61 Ų | 61 | 27% | 0.273 | 29% | 0.287 | S | S | . | . | trans | -118.8 | 120.8 | -171.9 | -168.4 | -54.3 | 0 | 0 | 0 | 112.7 | Y323 N329 F330 K331 | Y323-D327 PolarHBondContact O-N 3.31Å; D327-N329 VanDerWaalsContact C-N 3.27Å; D327-N329 PolarHBondContact O-N 3.06Å; D327-N329 WeakPolarHBondContact OD1-CA 3.33Å; D327-N329 WeakPolarHBondContact OD1-CB 3.36Å; D327-N329 PolarHBondContact OD1-N 2.86Å; D327-N329 PolarHBondContact OD1-ND2 3.23Å; D327-F330 HydrophobicContact CB-CB 4.26Å; D327-F330 HydrophobicContact CB-CD2 3.69Å; D327-F330 HydrophobicContact CB-CG 4.44Å; D327-F330 PolarHBondContact O-N 2.65Å; D327-F330 PolarHBondContact OD1-N 2.96Å; D327-K331 PolarHBondContact O-N 3.02Å; D327-K331 VanDerWaalsContact O-N 3.08Å | ||
| 328 | E | 65.8 | Low | 70 | Confident | 102 Ų | 102 | 63.9 Ų | 63.9 | 48% | 0.477 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -66.1 | -25.8 | -178.8 | -67.8 | -61 | 143 | 0 | 0 | 113.4 | K331 R332 | E328-K331 IonicContact OE1-NZ 2.8Å; E328-K331 PolarHBondContact OE1-NZ 2.98Å; E328-R332 PolarHBondContact O-N 3.24Å |
| 329 | N | 65.3 | Low | 69.3 | Low | 83 Ų | 83 | 65.8 Ų | 65.8 | 44% | 0.444 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -71.9 | -37.8 | 174.8 | -55.2 | -63.7 | 0 | 0 | 0 | 110.8 | D327 R332 C333 | D327-N329 VanDerWaalsContact C-N 3.27Å; D327-N329 PolarHBondContact O-N 3.06Å; D327-N329 WeakPolarHBondContact OD1-CA 3.33Å; D327-N329 WeakPolarHBondContact OD1-CB 3.36Å; D327-N329 PolarHBondContact OD1-N 2.86Å; D327-N329 PolarHBondContact OD1-ND2 3.23Å; N329-R332 PolarHBondContact O-N 3.32Å; N329-C333 PolarHBondContact O-N 2.96Å |
| 330 | F | 66.8 | Low | 68.2 | Low | 13 Ų | 13 | 69.7 Ų | 69.7 | 6% | 0.057 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.4 | -39.3 | 173.4 | -81.9 | -82.3 | 0 | 0 | 0 | 111.7 | V74 V78 M84 I92 D327 R332 C333 F334 | V74-F330 HydrophobicContact CB-CE1 4.43Å; V74-F330 HydrophobicContact CG1-CE1 4Å; V74-F330 HydrophobicContact CG2-CE1 4.28Å; V78-F330 HydrophobicContact CG2-CE1 4.43Å; V78-F330 HydrophobicContact CG2-CZ 4.16Å; M84-F330 HydrophobicContact CE-CD1 3.72Å; M84-F330 HydrophobicContact CE-CD2 3.74Å; M84-F330 HydrophobicContact CE-CE1 3.41Å; M84-F330 VanDerWaalsContact CE-CE1 3.41Å; M84-F330 HydrophobicContact CE-CE2 3.48Å; M84-F330 VanDerWaalsContact CE-CE2 3.48Å; M84-F330 HydrophobicContact CE-CG 3.9Å; M84-F330 HydrophobicContact CE-CZ 3.31Å; I92-F330 HydrophobicContact CD1-CE2 4.22Å; I92-F330 HydrophobicContact CD1-CZ 4.35Å; I92-F330 HydrophobicContact CG2-CZ 4Å; D327-F330 HydrophobicContact CB-CB 4.26Å; D327-F330 HydrophobicContact CB-CD2 3.69Å; D327-F330 HydrophobicContact CB-CG 4.44Å; D327-F330 PolarHBondContact O-N 2.65Å; D327-F330 PolarHBondContact OD1-N 2.96Å; F330-R332 VanDerWaalsContact C-N 3.33Å; F330-R332 PolarHBondContact O-N 3Å; F330-C333 PolarHBondContact O-N 3.47Å; F330-F334 WeakPolarHBondContact O-CB 3.32Å; F330-F334 PolarHBondContact O-N 3.04Å |
| 331 | K | 72.1 | Confident | 66.9 | Low | 73 Ų | 73 | 74.6 Ų | 74.6 | 32% | 0.317 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -58.4 | -43.3 | 171.4 | -69.6 | -177.8 | -172.4 | 169.4 | 0 | 112.8 | A324 D327 E328 F334 R335 | A324-K331 WeakPolarHBondContact O-CE 3.38Å; A324-K331 WeakPolarHBondContact O-CG 3.24Å; D327-K331 PolarHBondContact O-N 3.02Å; D327-K331 VanDerWaalsContact O-N 3.08Å; E328-K331 IonicContact OE1-NZ 2.8Å; E328-K331 PolarHBondContact OE1-NZ 2.98Å; K331-F334 PolarHBondContact O-N 3.42Å; K331-R335 WeakPolarHBondContact O-CB 3.3Å; K331-R335 PolarHBondContact O-N 3.41Å |
| 332 | R | 69.3 | Low | 65.8 | Low | 134 Ų | 134 | 81.6 Ų | 81.6 | 51% | 0.506 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.1 | -46.1 | 177.2 | -174.2 | 179.5 | -70.4 | 128.7 | -4.1 | 110.8 | E328 N329 F330 F334 R335 D336 | E328-R332 PolarHBondContact O-N 3.24Å; N329-R332 PolarHBondContact O-N 3.32Å; F330-R332 VanDerWaalsContact C-N 3.33Å; F330-R332 PolarHBondContact O-N 3Å; R332-F334 PolarHBondContact O-N 3.24Å; R332-R335 PolarHBondContact O-N 2.74Å; R332-D336 PolarHBondContact O-N 2.73Å |
| 333 | C | 66.8 | Low | 64.7 | Low | 5 Ų | 5 | 82.8 Ų | 82.8 | 3% | 0.034 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -60.2 | -43.8 | 175.4 | -177.6 | 0 | 0 | 0 | 0 | 112.5 | G77 Y81 N329 F330 R335 D336 F337 | G77-C333 WeakPolarHBondContact CA-SG 3.43Å; Y81-C333 HydrophobicContact CD2-CB 4.46Å; Y81-C333 HydrophobicContact CE2-CB 3.98Å; Y81-C333 VanDerWaalsContact CE2-SG 3.52Å; N329-C333 PolarHBondContact O-N 2.96Å; F330-C333 PolarHBondContact O-N 3.47Å; C333-R335 VanDerWaalsContact C-N 3.34Å; C333-R335 PolarHBondContact O-N 3.38Å; C333-D336 PolarHBondContact O-N 3.09Å; C333-F337 WeakPolarHBondContact O-CB 3.45Å; C333-F337 PolarHBondContact O-N 3.04Å |
| 334 | F | 70.3 | Confident | 63.4 | Low | 106 Ų | 106 | 91.2 Ų | 91.2 | 47% | 0.465 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -60.5 | -45.2 | 177.3 | -168.7 | -85.5 | 0 | 0 | 0 | 111 | L73 F330 K331 R332 F337 C338 | L73-F334 HydrophobicContact CD2-CB 4.46Å; L73-F334 HydrophobicContact CD2-CD2 3.17Å; L73-F334 HydrophobicContact CD2-CE2 3.52Å; L73-F334 HydrophobicContact CD2-CG 4.07Å; L73-F334 HydrophobicContact CG-CD2 4.47Å; F330-F334 WeakPolarHBondContact O-CB 3.32Å; F330-F334 PolarHBondContact O-N 3.04Å; K331-F334 PolarHBondContact O-N 3.42Å; R332-F334 PolarHBondContact O-N 3.24Å; F334-F337 PolarHBondContact O-N 2.92Å; F334-C338 WeakPolarHBondContact CE1-SG 3.32Å; F334-C338 WeakPolarHBondContact O-CB 3.29Å; F334-C338 PolarHBondContact O-N 2.74Å; F334-C338 PolarHBondContact O-SG 3.09Å; F334-C338 VanDerWaalsContact O-SG 3.37Å |
| 335 | R | 73.5 | Confident | 62.1 | Low | 133 Ų | 133 | 97 Ų | 97 | 50% | 0.502 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -64.3 | -42 | 176.2 | -175.1 | 178.4 | 61 | -137.9 | 1.1 | 112.4 | K331 R332 C333 F337 C338 L339 | K331-R335 WeakPolarHBondContact O-CB 3.3Å; K331-R335 PolarHBondContact O-N 3.41Å; R332-R335 PolarHBondContact O-N 2.74Å; C333-R335 VanDerWaalsContact C-N 3.34Å; C333-R335 PolarHBondContact O-N 3.38Å; R335-F337 VanDerWaalsContact C-N 3.28Å; R335-F337 PolarHBondContact O-N 3.49Å; R335-C338 PolarHBondContact O-N 2.76Å; R335-L339 HydrophobicContact CG-CD1 4.03Å; R335-L339 WeakPolarHBondContact O-CA 3.44Å; R335-L339 WeakPolarHBondContact O-CB 3.32Å; R335-L339 PolarHBondContact O-N 3.2Å |
| 336 | D | 69.4 | Low | 61.2 | Low | 35 Ų | 35 | 96.6 Ų | 96.6 | 19% | 0.187 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -65.1 | -33.7 | 178.6 | -68.6 | -6.8 | 0 | 0 | 0 | 111.6 | Y81 R332 C333 | Y81-D336 WeakPolarHBondContact OH-CB 3.44Å; Y81-D336 PolarHBondContact OH-OD2 2.85Å; R332-D336 PolarHBondContact O-N 2.73Å; C333-D336 PolarHBondContact O-N 3.09Å |
| 337 | F | 68.7 | Low | 60.4 | Low | 117 Ų | 117 | 101.5 Ų | 101.5 | 51% | 0.513 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -74.3 | -44.7 | 175.6 | -172.6 | -95.1 | 0 | 0 | 0 | 112.6 | L73 Y76 C333 F334 R335 | L73-F337 HydrophobicContact CD1-CB 3.6Å; L73-F337 HydrophobicContact CD1-CD1 3.75Å; L73-F337 HydrophobicContact CD1-CD2 3.71Å; L73-F337 HydrophobicContact CD1-CE1 4.34Å; L73-F337 HydrophobicContact CD1-CE2 4.3Å; L73-F337 HydrophobicContact CD1-CG 3.4Å; L73-F337 VanDerWaalsContact CD1-CG 3.4Å; L73-F337 HydrophobicContact CD2-CD1 4.34Å; Y76-F337 HydrophobicContact CD1-CD2 4.19Å; Y76-F337 HydrophobicContact CE1-CD2 4.13Å; C333-F337 WeakPolarHBondContact O-CB 3.45Å; C333-F337 PolarHBondContact O-N 3.04Å; F334-F337 PolarHBondContact O-N 2.92Å; R335-F337 VanDerWaalsContact C-N 3.28Å; R335-F337 PolarHBondContact O-N 3.49Å |
| 338 | C | 71.1 | Confident | 59.3 | Low | 72 Ų | 72 | 103.4 Ų | 103.4 | 49% | 0.486 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -77.3 | -25 | -179.5 | -65.5 | 0 | 0 | 0 | 0 | 113.7 | F334 R335 | F334-C338 WeakPolarHBondContact CE1-SG 3.32Å; F334-C338 WeakPolarHBondContact O-CB 3.29Å; F334-C338 PolarHBondContact O-N 2.74Å; F334-C338 PolarHBondContact O-SG 3.09Å; F334-C338 VanDerWaalsContact O-SG 3.37Å; R335-C338 PolarHBondContact O-N 2.76Å |
| 339 | L | 68.1 | Low | 58.1 | Low | 99 Ų | 99 | 101.8 Ų | 101.8 | 52% | 0.518 | 50% | 0.495 | S | S | . | . | trans | -128.2 | 71.1 | 179.4 | -72.5 | 135.4 | 0 | 0 | 0 | 111.6 | R335 C341 | R335-L339 HydrophobicContact CG-CD1 4.03Å; R335-L339 WeakPolarHBondContact O-CA 3.44Å; R335-L339 WeakPolarHBondContact O-CB 3.32Å; R335-L339 PolarHBondContact O-N 3.2Å; L339-C341 PolarHBondContact O-N 3.48Å; L339-C341 VanDerWaalsContact O-N 3.11Å | ||
| 340 | P | 56.8 | Low | 57.2 | Low | 89 Ų | 89 | 102.1 Ų | 102.1 | 58% | 0.578 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -59.3 | -25.5 | 179.7 | -18.8 | 28.8 | 0 | 0 | 0 | 113.8 | ||
| 341 | C | 47 | Very low | 56.2 | Low | 115 Ų | 115 | 105.8 Ų | 105.8 | 78% | 0.777 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -79.3 | -20.5 | -169.8 | -71.7 | 0 | 0 | 0 | 0 | 115.3 | L339 | L339-C341 PolarHBondContact O-N 3.48Å; L339-C341 VanDerWaalsContact O-N 3.11Å |
| 342 | R | 50.2 | Low | 54.9 | Low | 208 Ų | 208 | 106.3 Ų | 106.3 | 79% | 0.785 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -85.2 | -31 | -172.6 | -135.5 | -179.8 | -176.4 | -172 | 0.5 | 113.3 | M345 | R342-M345 PolarHBondContact O-N 2.97Å |
| 343 | T | 47.1 | Very low | 53.6 | Low | 55 Ų | 55 | 102.9 Ų | 102.9 | 34% | 0.337 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -74.7 | -27.1 | -177.2 | 23.3 | 0 | 0 | 0 | 0 | 113.6 | M345 Q347 | T343-M345 VanDerWaalsContact C-N 3.34Å; T343-Q347 PolarHBondContact O-N 2.91Å |
| 344 | R | 43.2 | Very low | 52.5 | Low | 204 Ų | 204 | 111.8 Ų | 111.8 | 77% | 0.77 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -68.2 | -33.1 | 175 | -167.1 | 174.8 | -178.3 | -179 | 0.1 | 112.4 | T348 | R344-T348 PolarHBondContact O-N 3.08Å; R344-T348 PolarHBondContact O-OG1 2.94Å |
| 345 | M | 41.9 | Very low | 51.1 | Low | 152 Ų | 152 | 113 Ų | 113 | 75% | 0.749 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -74.3 | -34.9 | -178.5 | -133.1 | 166.7 | 80.3 | 0 | 0 | 112.1 | R342 T343 T348 S349 | R342-M345 PolarHBondContact O-N 2.97Å; T343-M345 VanDerWaalsContact C-N 3.34Å; M345-T348 PolarHBondContact O-N 3.4Å; M345-S349 PolarHBondContact O-N 3.16Å; M345-S349 PolarHBondContact O-OG 2.69Å |
| 346 | E | 45.2 | Very low | 49.7 | Very low | 138 Ų | 138 | 112.4 Ų | 112.4 | 65% | 0.645 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -75.9 | -30.8 | -179.3 | -146.2 | 178.1 | 160.1 | 0 | 0 | 113 | S349 V350 | E346-S349 PolarHBondContact O-OG 3.35Å; E346-S349 VanDerWaalsContact O-OG 3.05Å; E346-V350 WeakPolarHBondContact O-CG2 3.34Å; E346-V350 PolarHBondContact O-N 3.18Å |
| 347 | Q | 45.2 | Very low | 48.4 | Very low | 148 Ų | 148 | 116.1 Ų | 116.1 | 69% | 0.692 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -71.4 | -32.1 | 172.1 | -110.7 | 172.7 | -16.4 | 0 | 0 | 112.5 | T343 T351 | T343-Q347 PolarHBondContact O-N 2.91Å; Q347-T351 PolarHBondContact O-N 2.91Å; Q347-T351 PolarHBondContact O-OG1 3.21Å |
| 348 | T | 41 | Very low | 46.8 | Very low | 90 Ų | 90 | 121.3 Ų | 121.3 | 55% | 0.552 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -75 | -36.8 | -179.1 | -44.8 | 0 | 0 | 0 | 0 | 111.4 | R344 M345 T351 S352 | R344-T348 PolarHBondContact O-N 3.08Å; R344-T348 PolarHBondContact O-OG1 2.94Å; M345-T348 PolarHBondContact O-N 3.4Å; T348-T351 PolarHBondContact O-N 3.36Å; T348-S352 PolarHBondContact O-N 2.9Å |
| 349 | S | 40.4 | Very low | 45.2 | Very low | 69 Ų | 69 | 126 Ų | 126 | 48% | 0.483 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -69.3 | -36.9 | 176.7 | 52.5 | 0 | 0 | 0 | 0 | 113.4 | M345 E346 A353 | M345-S349 PolarHBondContact O-N 3.16Å; M345-S349 PolarHBondContact O-OG 2.69Å; E346-S349 PolarHBondContact O-OG 3.35Å; E346-S349 VanDerWaalsContact O-OG 3.05Å; S349-A353 WeakPolarHBondContact O-CB 3.31Å; S349-A353 PolarHBondContact O-N 3.1Å; S349-A353 VanDerWaalsContact O-N 3.12Å |
| 350 | V | 48.1 | Very low | 43.6 | Very low | 90 Ų | 90 | 127.4 Ų | 127.4 | 55% | 0.545 | 66% | 0.662 | S | S | . | * | H | α-helix | trans | -71.3 | -31.1 | 175.8 | 177.2 | 0 | 0 | 0 | 0 | 112.1 | E346 R354 | E346-V350 WeakPolarHBondContact O-CG2 3.34Å; E346-V350 PolarHBondContact O-N 3.18Å; V350-R354 PolarHBondContact O-N 3.36Å |
| 351 | T | 44.5 | Very low | 42.4 | Very low | 89 Ų | 89 | 129.1 Ų | 129.1 | 55% | 0.546 | 67% | 0.671 | S | S | . | * | H | α-helix | trans | -77.1 | -35.8 | 177.9 | -43.6 | 0 | 0 | 0 | 0 | 111.4 | Q347 T348 R354 | Q347-T351 PolarHBondContact O-N 2.91Å; Q347-T351 PolarHBondContact O-OG1 3.21Å; T348-T351 PolarHBondContact O-N 3.36Å; T351-R354 PolarHBondContact O-N 2.9Å |
| 352 | S | 44.7 | Very low | 41.7 | Very low | 84 Ų | 84 | 129 Ų | 129 | 59% | 0.587 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -69.3 | -34.8 | 174.7 | -163.2 | 0 | 0 | 0 | 0 | 112.9 | T348 R354 | T348-S352 PolarHBondContact O-N 2.9Å; S352-R354 VanDerWaalsContact C-N 3.29Å; S352-R354 PolarHBondContact O-N 3.07Å |
| 353 | A | 43 | Very low | 40.7 | Very low | 62 Ų | 62 | 125.1 Ų | 125.1 | 51% | 0.512 | 67% | 0.67 | S | S | . | * | H | α-helix | trans | -73.3 | -18 | 176.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | S349 T356 | S349-A353 WeakPolarHBondContact O-CB 3.31Å; S349-A353 PolarHBondContact O-N 3.1Å; S349-A353 VanDerWaalsContact O-N 3.12Å; A353-T356 PolarHBondContact O-OG1 3.3Å |
| 354 | R | 42.8 | Very low | 39.9 | Very low | 192 Ų | 192 | 128.5 Ų | 128.5 | 73% | 0.725 | 70% | 0.695 | S | S | * | * | H | α-helix | trans | -86.9 | -16.3 | 177.7 | -121 | 175.9 | 178.4 | 172.7 | -0.8 | 113.8 | V350 T351 S352 | V350-R354 PolarHBondContact O-N 3.36Å; T351-R354 PolarHBondContact O-N 2.9Å; S352-R354 VanDerWaalsContact C-N 3.29Å; S352-R354 PolarHBondContact O-N 3.07Å |
| 355 | N | 40.8 | Very low | 39.3 | Very low | 132 Ų | 132 | 123 Ų | 123 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -89 | -12 | 178.9 | -81.7 | -1.8 | 0 | 0 | 0 | 113.6 | ||
| 356 | T | 44.3 | Very low | 38.6 | Very low | 120 Ų | 120 | 125.5 Ų | 125.5 | 74% | 0.736 | 70% | 0.703 | S | S | * | * | S | Bend | trans | -91.5 | 1.4 | 179.2 | 34.3 | 0 | 0 | 0 | 0 | 114.7 | A353 | A353-T356 PolarHBondContact O-OG1 3.3Š|
| 357 | T | 41.8 | Very low | 38 | Very low | 114 Ų | 114 | 125.3 Ų | 125.3 | 70% | 0.699 | 71% | 0.711 | S | S | * | * | S | Bend | trans | -120.7 | 16.5 | -176.8 | 26.6 | 0 | 0 | 0 | 0 | 115.2 | ||
| 358 | R | 36.2 | Very low | 37.3 | Very low | 225 Ų | 225 | 127.7 Ų | 127.7 | 85% | 0.849 | 72% | 0.723 | S | S | * | * | trans | -105.5 | 85.8 | 171.4 | -79.3 | -176.2 | 167.6 | 171.8 | -4.8 | 111 | ||||
| 359 | E | 36.4 | Very low | 36.9 | Very low | 171 Ų | 171 | 128.1 Ų | 128.1 | 80% | 0.799 | 74% | 0.735 | S | S | * | * | trans | -65.3 | 141.7 | 150.7 | -73.9 | -167.8 | 147.1 | 0 | 0 | 109.4 | V361 | E359-V361 PolarHBondContact O-N 2.93Š| ||
| 360 | P | 34.9 | Very low | 36.4 | Very low | 129 Ų | 129 | 128.8 Ų | 128.8 | 84% | 0.838 | 75% | 0.753 | S | S | * | * | trans | -83.5 | 99.8 | 178.4 | 31.9 | -28.6 | 0 | 0 | 0 | 109.8 | S362 | P360-S362 PolarHBondContact O-N 2.99Š| ||
| 361 | V | 31.9 | Very low | 35.7 | Very low | 124 Ų | 124 | 136.2 Ų | 136.2 | 75% | 0.752 | 77% | 0.772 | S | S | * | * | trans | -82.1 | 104.8 | 165.1 | 179.3 | 0 | 0 | 0 | 0 | 108.4 | E359 V363 | E359-V361 PolarHBondContact O-N 2.93Å; V361-V363 HydrophobicContact CG1-CG2 4.09Å | ||
| 362 | S | 31.4 | Very low | 35 | Very low | 113 Ų | 113 | 141.6 Ų | 141.6 | 79% | 0.79 | 79% | 0.787 | S | S | * | * | trans | -77.5 | 112.8 | 170.5 | 162.9 | 0 | 0 | 0 | 0 | 109.9 | P360 | P360-S362 PolarHBondContact O-N 2.99Š| ||
| 363 | V | 30 | Very low | 35.2 | Very low | 126 Ų | 126 | 143.3 Ų | 143.3 | 76% | 0.764 | 80% | 0.796 | S | S | * | * | trans | -116.8 | 111.8 | 164.8 | 178.6 | 0 | 0 | 0 | 0 | 107.8 | V361 | V361-V363 HydrophobicContact CG1-CG2 4.09Š| ||
| 364 | C | 30.8 | Very low | 34.7 | Very low | 127 Ų | 127 | 148.7 Ų | 148.7 | 86% | 0.858 | 84% | 0.841 | S | S | * | * | trans | -108.1 | 127.5 | 159.8 | -103.5 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 365 | A | 29.9 | Very low | 34.3 | Very low | 89 Ų | 89 | 146.6 Ų | 146.6 | 74% | 0.736 | 85% | 0.847 | S | S | * | * | trans | -75 | 148.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 366 | Q | 28.5 | Very low | 34 | Very low | 203 Ų | 203 | 147.3 Ų | 147.3 | 95% | 0.949 | 85% | 0.854 | S | S | * | * | trans | -109.6 | 131.9 | 157.2 | -80.2 | -169.1 | -21.5 | 0 | 0 | 109.2 | ||||
| 367 | T | 30.7 | Very low | 33.4 | Very low | 134 Ų | 134 | 148.8 Ų | 148.8 | 82% | 0.822 | 86% | 0.861 | S | S | * | * | trans | -98.3 | 115.8 | 177.1 | -48.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 368 | E | 30.4 | Very low | 32.9 | Very low | 198 Ų | 198 | 150.9 Ų | 150.9 | 93% | 0.925 | 87% | 0.871 | S | S | * | * | trans | -81.5 | 129.9 | 166.5 | -83.7 | -174.7 | 140.3 | 0 | 0 | 110.2 | ||||
| 369 | A | 33.3 | Very low | 32.7 | Very low | 99 Ų | 99 | 146.3 Ų | 146.3 | 82% | 0.818 | 87% | 0.872 | S | S | * | * | trans | -145.4 | 123.8 | 160.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 370 | G | 30.1 | Very low | 32.5 | Very low | 84 Ų | 84 | 144.6 Ų | 144.6 | 87% | 0.866 | 88% | 0.877 | S | S | * | * | trans | 96.3 | 94.5 | 142.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 371 | R | 32.6 | Very low | 32.3 | Very low | 246 Ų | 246 | 145.7 Ų | 145.7 | 93% | 0.928 | 88% | 0.879 | S | S | * | * | trans | -77.9 | 141.7 | 163.8 | -170.3 | -177.1 | -158.9 | 169.3 | 6.4 | 111.2 | ||||
| 372 | K | 30.3 | Very low | 32.3 | Very low | 202 Ų | 202 | 147.4 Ų | 147.4 | 88% | 0.878 | 89% | 0.889 | S | S | * | * | -168.9 | 157.5 | 129.9 | -102.5 | -168 | -176.6 | -178.3 | 0 | 112.2 | |||||
| 373 | P | 48.2 | Very low | 32.4 | Very low | 119 Ų | 119 | 150.3 Ų | 150.3 | 77% | 0.773 | 90% | 0.898 | S | S | * | * | trans | -106.9 | 165 | -148.4 | 40.9 | -35.3 | 0 | 0 | 0 | 115.1 | ||||
| 374 | A | 34.2 | Very low | 32.6 | Very low | 176 Ų | 176 | 152.5 Ų | 152.5 | 100% | 1.455 | 91% | 0.91 | S | S | * | * | trans | -132 | 0 | 142.7 | 0 | 0 | 0 | 0 | 0 | 107.8 |
Retrieved 374 of 374 residues in 169.7 ms
(Link to these results)