| 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 | 35.2 | Very low | 32 | Very low | 216 Ų | 216 | 179.4 Ų | 179.4 | 100% | 1.064 | 84% | 0.841 | S | S | * | * | 0 | 128.4 | 0 | -73.7 | -171.7 | 174.4 | 0 | 0 | 112.1 | |||||
| 2 | S | 29.7 | Very low | 31.9 | Very low | 116 Ų | 116 | 173.3 Ų | 173.3 | 81% | 0.811 | 83% | 0.833 | S | S | * | * | trans | -156 | 133.4 | 154.4 | -176.6 | 0 | 0 | 0 | 0 | 108.6 | R4 | S2-R4 PolarHBondContact O-N 3.13Š| ||
| 3 | K | 32.7 | Very low | 32 | Very low | 206 Ų | 206 | 169 Ų | 169 | 90% | 0.896 | 83% | 0.832 | S | S | * | * | trans | -75.1 | 84.5 | -170.8 | -68.6 | -180 | 177.3 | 178.9 | 0 | 111.8 | R5 | K3-R5 PolarHBondContact O-N 3.04Š| ||
| 4 | R | 33.7 | Very low | 32 | Very low | 246 Ų | 246 | 165.3 Ų | 165.3 | 93% | 0.928 | 83% | 0.831 | S | S | * | * | trans | -76.5 | 79.2 | 163.4 | -83.4 | -165.4 | 171.1 | -164 | -2.2 | 110.7 | S2 | S2-R4 PolarHBondContact O-N 3.13Š| ||
| 5 | R | 32.5 | Very low | 32.1 | Very low | 196 Ų | 196 | 162.5 Ų | 162.5 | 74% | 0.74 | 83% | 0.834 | S | S | * | * | trans | 22.2 | 109.2 | 154.2 | -59.2 | -170.8 | -173.3 | 179.9 | 1.8 | 117.1 | K3 Q7 | K3-R5 PolarHBondContact O-N 3.04Å; R5-Q7 HydrophobicContact CB-CG 4.26Å; R5-Q7 VanDerWaalsContact CD-OE1 3.28Å; R5-Q7 VanDerWaalsContact NH1-OE1 3.14Å; R5-Q7 PolarHBondContact O-N 3.22Å | ||
| 6 | R | 29.6 | Very low | 31.8 | Very low | 239 Ų | 239 | 156.7 Ų | 156.7 | 90% | 0.902 | 83% | 0.826 | S | S | * | * | trans | -56.2 | 125.1 | 137.7 | -65.2 | 176.7 | 176.9 | 172.7 | -3.1 | 107.4 | ||||
| 7 | Q | 33.3 | Very low | 32 | Very low | 119 Ų | 119 | 152.1 Ų | 152.1 | 56% | 0.556 | 81% | 0.81 | S | S | * | * | trans | -142.8 | 105 | 161 | -80.5 | -162.1 | -109.1 | 0 | 0 | 108.4 | R5 | R5-Q7 HydrophobicContact CB-CG 4.26Å; R5-Q7 VanDerWaalsContact CD-OE1 3.28Å; R5-Q7 VanDerWaalsContact NH1-OE1 3.14Å; R5-Q7 PolarHBondContact O-N 3.22Å | ||
| 8 | D | 29.1 | Very low | 32.2 | Very low | 130 Ų | 130 | 148.8 Ų | 148.8 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | trans | 63.1 | 57.8 | 131.2 | -34.7 | -34.6 | 0 | 0 | 0 | 116.9 | ||||
| 9 | L | 33.3 | Very low | 32.7 | Very low | 175 Ų | 175 | 144.6 Ų | 144.6 | 92% | 0.916 | 78% | 0.778 | S | S | * | * | trans | -90.6 | 83.3 | 149 | -98.7 | 166 | 0 | 0 | 0 | 108.2 | ||||
| 10 | D | 32.2 | Very low | 33.2 | Very low | 155 Ų | 155 | 141.9 Ų | 141.9 | 83% | 0.829 | 77% | 0.769 | S | S | * | * | trans | -70 | 139 | 175 | -103.7 | -37.3 | 0 | 0 | 0 | 111.1 | ||||
| 11 | L | 30.5 | Very low | 33.7 | Very low | 175 Ų | 175 | 139.9 Ų | 139.9 | 92% | 0.916 | 76% | 0.757 | S | S | * | * | trans | -88.2 | 111.1 | -169.3 | -76.1 | 158.6 | 0 | 0 | 0 | 112.7 | ||||
| 12 | S | 31.5 | Very low | 34.2 | Very low | 106 Ų | 106 | 134.6 Ų | 134.6 | 74% | 0.741 | 73% | 0.726 | S | S | * | * | trans | -153.7 | 124.5 | 157.1 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 13 | S | 32.5 | Very low | 35.3 | Very low | 118 Ų | 118 | 133.6 Ų | 133.6 | 83% | 0.825 | 71% | 0.712 | S | S | * | * | trans | 25.6 | 127.7 | 153.4 | 55.3 | 0 | 0 | 0 | 0 | 119.7 | ||||
| 14 | S | 32.2 | Very low | 36.3 | Very low | 117 Ų | 117 | 127.4 Ų | 127.4 | 82% | 0.818 | 69% | 0.694 | S | S | * | * | cis | -167.3 | -179.8 | 5.9 | 72.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 15 | S | 33.6 | Very low | 37.4 | Very low | 124 Ų | 124 | 120 Ų | 120 | 87% | 0.867 | 67% | 0.672 | S | S | * | * | cis | -139.6 | -71.9 | 6.4 | 51.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 16 | G | 27.6 | Very low | 38.3 | Very low | 69 Ų | 69 | 112.2 Ų | 112.2 | 71% | 0.711 | 65% | 0.645 | S | S | * | * | trans | -167.6 | 121.9 | 175.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 17 | S | 34.5 | Very low | 39.7 | Very low | 79 Ų | 79 | 107.4 Ų | 107.4 | 55% | 0.552 | 63% | 0.628 | S | S | * | * | trans | -108.9 | 166.1 | 148.2 | 86 | 0 | 0 | 0 | 0 | 109 | D19 | S17-D19 WeakPolarHBondContact CB-OD2 3.36Å; S17-D19 PolarHBondContact O-N 3.21Å; S17-D19 PolarHBondContact OG-OD2 3.49Å | ||
| 18 | S | 36.5 | Very low | 41.2 | Very low | 92 Ų | 92 | 107.1 Ų | 107.1 | 64% | 0.643 | 62% | 0.624 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | -0.6 | -176.2 | 43.8 | 0 | 0 | 0 | 0 | 115.2 | ||
| 19 | D | 41.8 | Very low | 42.6 | Very low | 70 Ų | 70 | 101.6 Ų | 101.6 | 37% | 0.374 | 59% | 0.594 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -87.7 | -12.2 | -160.8 | -52.6 | -70.1 | 0 | 0 | 0 | 114.2 | S17 I21 R81 | S17-D19 WeakPolarHBondContact CB-OD2 3.36Å; S17-D19 PolarHBondContact O-N 3.21Å; S17-D19 PolarHBondContact OG-OD2 3.49Å; D19-I21 PolarHBondContact O-N 3.12Å; D19-R81 IonicContact OD1-NH1 3.62Å; D19-R81 PolarHBondContact OD1-NH1 3.24Å |
| 20 | C | 42.9 | Very low | 43.7 | Very low | 89 Ų | 89 | 94.5 Ų | 94.5 | 60% | 0.601 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -64.5 | -10.9 | 179.5 | -51.6 | 0 | 0 | 0 | 0 | 114.6 | Y22 S24 | C20-Y22 VanDerWaalsContact C-N 3.35Å; C20-Y22 PolarHBondContact O-N 3.18Å; C20-S24 WeakPolarHBondContact O-CB 3.21Å; C20-S24 PolarHBondContact O-N 3.4Å |
| 21 | I | 42.3 | Very low | 44.9 | Very low | 100 Ų | 100 | 92.3 Ų | 92.3 | 51% | 0.513 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -67.1 | -35.3 | -175.3 | -59.7 | 174.8 | 0 | 0 | 0 | 111.6 | D19 S24 L25 | D19-I21 PolarHBondContact O-N 3.12Å; I21-S24 CarbonylContact O-C 3.48Å; I21-S24 PolarHBondContact O-N 3.4Å; I21-L25 HydrophobicContact CG2-CD1 4.02Å; I21-L25 HydrophobicContact CG2-CG 4.43Å; I21-L25 WeakPolarHBondContact O-CG 3.04Å; I21-L25 PolarHBondContact O-N 3.31Å |
| 22 | Y | 46.4 | Very low | 46.3 | Very low | 105 Ų | 105 | 90.2 Ų | 90.2 | 41% | 0.412 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -72.5 | -45.2 | -175.8 | -66.3 | -88.4 | 0 | 0 | 0 | 112.2 | C20 S24 L25 L26 E165 | C20-Y22 VanDerWaalsContact C-N 3.35Å; C20-Y22 PolarHBondContact O-N 3.18Å; Y22-S24 VanDerWaalsContact C-N 3.32Å; Y22-L25 PolarHBondContact O-N 2.79Å; Y22-L26 WeakPolarHBondContact O-CB 3.44Å; Y22-L26 PolarHBondContact O-N 3.46Å; Y22-E165 WeakPolarHBondContact CE1-OE2 3.49Å; Y22-E165 PolarHBondContact OH-OE2 3.21Å; Y22-E165 VanDerWaalsContact OH-OE2 3.11Å |
| 23 | D | 53.2 | Low | 47.3 | Very low | 96 Ų | 96 | 86.1 Ų | 86.1 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -55.5 | -49.7 | 166 | -85.9 | -54.4 | 0 | 0 | 0 | 109.8 | L25 L26 W27 | D23-L25 VanDerWaalsContact C-N 3.26Å; D23-L25 PolarHBondContact O-N 2.83Å; D23-L26 PolarHBondContact O-N 2.85Å; D23-W27 VanDerWaalsContact O-CB 3.29Å; D23-W27 WeakPolarHBondContact O-CB 2.79Å; D23-W27 PolarHBondContact O-N 3.4Å; D23-W27 PolarHBondContact OD1-NE1 3.12Å |
| 24 | S | 53.5 | Low | 48 | Very low | 75 Ų | 75 | 86.1 Ų | 86.1 | 52% | 0.524 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -60.3 | -29.7 | -178.7 | -173.9 | 0 | 0 | 0 | 0 | 114.4 | C20 I21 Y22 K28 | C20-S24 WeakPolarHBondContact O-CB 3.21Å; C20-S24 PolarHBondContact O-N 3.4Å; I21-S24 CarbonylContact O-C 3.48Å; I21-S24 PolarHBondContact O-N 3.4Å; Y22-S24 VanDerWaalsContact C-N 3.32Å; S24-K28 WeakPolarHBondContact O-CB 3.28Å; S24-K28 PolarHBondContact O-N 3.38Å |
| 25 | L | 55.4 | Low | 48.6 | Very low | 90 Ų | 90 | 88.5 Ų | 88.5 | 47% | 0.471 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -82.4 | -42.6 | 177 | -75.2 | 170.5 | 0 | 0 | 0 | 111.9 | I21 Y22 D23 K28 F29 | I21-L25 HydrophobicContact CG2-CD1 4.02Å; I21-L25 HydrophobicContact CG2-CG 4.43Å; I21-L25 WeakPolarHBondContact O-CG 3.04Å; I21-L25 PolarHBondContact O-N 3.31Å; Y22-L25 PolarHBondContact O-N 2.79Å; D23-L25 VanDerWaalsContact C-N 3.26Å; D23-L25 PolarHBondContact O-N 2.83Å; L25-K28 PolarHBondContact O-N 3.17Å; L25-F29 PolarHBondContact O-N 3.03Å |
| 26 | L | 53.4 | Low | 49.1 | Very low | 33 Ų | 33 | 89.8 Ų | 89.8 | 17% | 0.173 | 47% | 0.473 | C | S | . | . | H | α-helix | trans | -67.5 | -46.4 | 178.6 | -163.3 | 75.4 | 0 | 0 | 0 | 111.2 | Y22 D23 K28 F29 V30 E71 | Y22-L26 WeakPolarHBondContact O-CB 3.44Å; Y22-L26 PolarHBondContact O-N 3.46Å; D23-L26 PolarHBondContact O-N 2.85Å; L26-K28 VanDerWaalsContact C-N 3.34Å; L26-K28 PolarHBondContact O-N 3.11Å; L26-F29 PolarHBondContact O-N 3.19Å; L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.21Å; L26-E71 HydrophobicContact CD2-CG 4.02Å |
| 27 | W | 58.2 | Low | 49.6 | Very low | 139 Ų | 139 | 90.7 Ų | 90.7 | 53% | 0.527 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -35.6 | 175.2 | -71.7 | 110.8 | 0 | 0 | 0 | 112.3 | D23 V30 D31 | D23-W27 VanDerWaalsContact O-CB 3.29Å; D23-W27 WeakPolarHBondContact O-CB 2.79Å; D23-W27 PolarHBondContact O-N 3.4Å; D23-W27 PolarHBondContact OD1-NE1 3.12Å; W27-V30 HydrophobicContact CE3-CB 4.43Å; W27-V30 HydrophobicContact CE3-CG1 4.38Å; W27-V30 HydrophobicContact CZ3-CG1 4.44Å; W27-V30 PolarHBondContact O-N 2.99Å; W27-D31 WeakPolarHBondContact O-CB 3.42Å; W27-D31 PolarHBondContact O-N 3.46Å |
| 28 | K | 64.6 | Low | 50 | Low | 112 Ų | 112 | 90.4 Ų | 90.4 | 49% | 0.487 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -64.4 | -41 | 172.7 | 179.3 | 175.7 | 174.7 | -176.2 | 0 | 112.2 | S24 L25 L26 V30 D31 E32 | S24-K28 WeakPolarHBondContact O-CB 3.28Å; S24-K28 PolarHBondContact O-N 3.38Å; L25-K28 PolarHBondContact O-N 3.17Å; L26-K28 VanDerWaalsContact C-N 3.34Å; L26-K28 PolarHBondContact O-N 3.11Å; K28-V30 VanDerWaalsContact C-N 3.32Å; K28-V30 PolarHBondContact O-N 3.14Å; K28-D31 PolarHBondContact O-N 3.4Å; K28-E32 WeakPolarHBondContact CE-OE1 3.45Å; K28-E32 HydrophobicContact CG-CG 4.2Å; K28-E32 IonicContact NZ-OE1 2.79Å; K28-E32 VanDerWaalsContact O-CB 3.26Å; K28-E32 WeakPolarHBondContact O-CB 3.42Å; K28-E32 VanDerWaalsContact O-CG 3.28Å; K28-E32 WeakPolarHBondContact O-CG 3.49Å; K28-E32 PolarHBondContact O-N 3.3Å |
| 29 | F | 58.7 | Low | 50.1 | Low | 15 Ų | 15 | 91.2 Ų | 91.2 | 7% | 0.066 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -63.1 | -38.5 | 173.4 | 175.3 | -101.5 | 0 | 0 | 0 | 112.2 | L25 L26 N33 F63 N154 I158 | L25-F29 PolarHBondContact O-N 3.03Å; L26-F29 PolarHBondContact O-N 3.19Å; F29-N33 PolarHBondContact O-N 3.18Å; F29-N33 PolarHBondContact O-ND2 2.89Å; F29-F63 AromaticContact CE1-CZ 3.92Å; F29-F63 HydrophobicContact CE1-CZ 3.92Å; F29-F63 HydrophobicContact CZ-CE2 4.3Å; F29-F63 AromaticContact CZ-CZ 3.74Å; F29-F63 HydrophobicContact CZ-CZ 3.74Å; F29-N154 HydrophobicContact CD2-CB 4.34Å; F29-N154 HydrophobicContact CE2-CB 3.72Å; F29-I158 HydrophobicContact CB-CD1 4.47Å; F29-I158 HydrophobicContact CD1-CD1 4.41Å; F29-I158 HydrophobicContact CD2-CD1 4.1Å; F29-I158 HydrophobicContact CE2-CD1 4.43Å; F29-I158 HydrophobicContact CG-CD1 4.07Å |
| 30 | V | 57.1 | Low | 50.1 | Low | 26 Ų | 26 | 93.5 Ų | 93.5 | 16% | 0.158 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -65.3 | -51.3 | 174.2 | 171.3 | 0 | 0 | 0 | 0 | 111.1 | L26 W27 K28 N33 Y34 | L26-V30 WeakPolarHBondContact O-CG2 3.46Å; L26-V30 PolarHBondContact O-N 3.21Å; W27-V30 HydrophobicContact CE3-CB 4.43Å; W27-V30 HydrophobicContact CE3-CG1 4.38Å; W27-V30 HydrophobicContact CZ3-CG1 4.44Å; W27-V30 PolarHBondContact O-N 2.99Å; K28-V30 VanDerWaalsContact C-N 3.32Å; K28-V30 PolarHBondContact O-N 3.14Å; V30-N33 CarbonylContact O-C 3.43Å; V30-N33 PolarHBondContact O-N 3.44Å; V30-N33 VanDerWaalsContact O-N 3.14Å; V30-Y34 HydrophobicContact CG1-CD2 4.35Å; V30-Y34 WeakPolarHBondContact O-CB 3.26Å; V30-Y34 PolarHBondContact O-N 2.87Å |
| 31 | D | 57 | Low | 50 | Low | 109 Ų | 109 | 95.2 Ų | 95.2 | 58% | 0.583 | 47% | 0.465 | S | S | * | . | H | α-helix | trans | -61.7 | -45.4 | 179.9 | -82.1 | -15.3 | 0 | 0 | 0 | 112.2 | W27 K28 N33 Y34 | W27-D31 WeakPolarHBondContact O-CB 3.42Å; W27-D31 PolarHBondContact O-N 3.46Å; K28-D31 PolarHBondContact O-N 3.4Å; D31-N33 PolarHBondContact O-N 3.47Å; D31-N33 VanDerWaalsContact O-N 3.11Å; D31-Y34 WeakPolarHBondContact O-CB 3.37Å; D31-Y34 PolarHBondContact O-N 3.15Å |
| 32 | E | 58.4 | Low | 49.7 | Very low | 130 Ų | 130 | 99.1 Ų | 99.1 | 61% | 0.607 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63.3 | -15.7 | 176.8 | -74.2 | -179.7 | 173.4 | 0 | 0 | 113.4 | K28 | K28-E32 WeakPolarHBondContact CE-OE1 3.45Å; K28-E32 HydrophobicContact CG-CG 4.2Å; K28-E32 IonicContact NZ-OE1 2.79Å; K28-E32 VanDerWaalsContact O-CB 3.26Å; K28-E32 WeakPolarHBondContact O-CB 3.42Å; K28-E32 VanDerWaalsContact O-CG 3.28Å; K28-E32 WeakPolarHBondContact O-CG 3.49Å; K28-E32 PolarHBondContact O-N 3.3Å |
| 33 | N | 53.3 | Low | 49.3 | Very low | 21 Ų | 21 | 100.2 Ų | 100.2 | 11% | 0.112 | 49% | 0.491 | C | S | . | . | H | α-helix | trans | -110 | -3.2 | 173.9 | -72.7 | -92.3 | 0 | 0 | 0 | 113.6 | F29 V30 D31 F36 L37 K151 | F29-N33 PolarHBondContact O-N 3.18Å; F29-N33 PolarHBondContact O-ND2 2.89Å; V30-N33 CarbonylContact O-C 3.43Å; V30-N33 PolarHBondContact O-N 3.44Å; V30-N33 VanDerWaalsContact O-N 3.14Å; D31-N33 PolarHBondContact O-N 3.47Å; D31-N33 VanDerWaalsContact O-N 3.11Å; N33-F36 PolarHBondContact O-N 3.11Å; N33-L37 HydrophobicContact CB-CD1 4.46Å; N33-L37 WeakPolarHBondContact O-CG 3.46Å; N33-L37 PolarHBondContact O-N 2.86Å; N33-K151 WeakPolarHBondContact OD1-CE 3.3Å |
| 34 | Y | 47 | Very low | 48.6 | Very low | 117 Ų | 117 | 101.8 Ų | 101.8 | 46% | 0.459 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.2 | -41.8 | -165.9 | -164.7 | -105.2 | 0 | 0 | 0 | 113.5 | V30 D31 F36 L37 I38 | V30-Y34 HydrophobicContact CG1-CD2 4.35Å; V30-Y34 WeakPolarHBondContact O-CB 3.26Å; V30-Y34 PolarHBondContact O-N 2.87Å; D31-Y34 WeakPolarHBondContact O-CB 3.37Å; D31-Y34 PolarHBondContact O-N 3.15Å; Y34-F36 VanDerWaalsContact C-N 3.3Å; Y34-F36 PolarHBondContact O-N 3.2Å; Y34-L37 PolarHBondContact O-N 2.87Å; Y34-I38 HydrophobicContact CD1-CD1 3.68Å; Y34-I38 HydrophobicContact CD2-CD1 4.48Å; Y34-I38 HydrophobicContact CE1-CD1 3.27Å; Y34-I38 HydrophobicContact CE2-CD1 4.14Å; Y34-I38 HydrophobicContact CG-CD1 4.27Å; Y34-I38 WeakPolarHBondContact O-CG1 3.34Å |
| 35 | E | 44.5 | Very low | 47.9 | Very low | 167 Ų | 167 | 106.5 Ų | 106.5 | 78% | 0.78 | 51% | 0.509 | S | S | * | . | G | 310 helix | trans | -63.9 | -37 | 175 | -66.4 | -167.4 | 139.1 | 0 | 0 | 111.7 | L37 I38 N39 | E35-L37 PolarHBondContact O-N 3.31Å; E35-I38 PolarHBondContact O-N 3.23Å; E35-I38 VanDerWaalsContact O-N 3.15Å; E35-N39 PolarHBondContact O-N 3.27Å |
| 36 | F | 44.6 | Very low | 47 | Very low | 152 Ų | 152 | 107.3 Ų | 107.3 | 67% | 0.667 | 52% | 0.521 | S | S | * | . | G | 310 helix | trans | -68.9 | -21.4 | 177.8 | -146.2 | -77.5 | 0 | 0 | 0 | 112.6 | N33 Y34 | N33-F36 PolarHBondContact O-N 3.11Å; Y34-F36 VanDerWaalsContact C-N 3.3Å; Y34-F36 PolarHBondContact O-N 3.2Å |
| 37 | L | 38.3 | Very low | 46.2 | Very low | 88 Ų | 88 | 111.9 Ų | 111.9 | 46% | 0.461 | 54% | 0.539 | S | S | . | . | G | 310 helix | trans | -86 | -3.3 | 175.8 | -70.2 | 164.7 | 0 | 0 | 0 | 113.4 | N33 Y34 E35 F63 | N33-L37 HydrophobicContact CB-CD1 4.46Å; N33-L37 WeakPolarHBondContact O-CG 3.46Å; N33-L37 PolarHBondContact O-N 2.86Å; Y34-L37 PolarHBondContact O-N 2.87Å; E35-L37 PolarHBondContact O-N 3.31Å; L37-F63 HydrophobicContact CD2-CD1 4.48Å |
| 38 | I | 43.1 | Very low | 45.2 | Very low | 73 Ų | 73 | 114.3 Ų | 114.3 | 37% | 0.374 | 56% | 0.556 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -124.6 | -6 | -168.8 | -71.7 | 178.8 | 0 | 0 | 0 | 114.1 | Y34 E35 D40 | Y34-I38 HydrophobicContact CD1-CD1 3.68Å; Y34-I38 HydrophobicContact CD2-CD1 4.48Å; Y34-I38 HydrophobicContact CE1-CD1 3.27Å; Y34-I38 HydrophobicContact CE2-CD1 4.14Å; Y34-I38 HydrophobicContact CG-CD1 4.27Å; Y34-I38 WeakPolarHBondContact O-CG1 3.34Å; E35-I38 PolarHBondContact O-N 3.23Å; E35-I38 VanDerWaalsContact O-N 3.15Å; I38-D40 PolarHBondContact O-N 3.35Å |
| 39 | N | 39.2 | Very low | 43.7 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 58% | 0.578 | 57% | 0.569 | S | S | * | * | trans | -65.3 | 96.2 | -179.8 | -83.7 | -25.3 | 0 | 0 | 0 | 113.8 | E35 D41 | E35-N39 PolarHBondContact O-N 3.27Å; N39-D41 PolarHBondContact O-N 2.86Å; N39-D41 VanDerWaalsContact O-N 3.11Å | ||
| 40 | D | 40.8 | Very low | 42.5 | Very low | 118 Ų | 118 | 119.1 Ų | 119.1 | 63% | 0.631 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.8 | -19.3 | 177.4 | -80.7 | -49.1 | 0 | 0 | 0 | 114.4 | I38 F42 L43 | I38-D40 PolarHBondContact O-N 3.35Å; D40-F42 PolarHBondContact O-N 2.93Å; D40-F42 VanDerWaalsContact O-N 3.12Å; D40-L43 WeakPolarHBondContact O-CB 3.41Å; D40-L43 PolarHBondContact O-N 3.06Å |
| 41 | D | 40.6 | Very low | 41.3 | Very low | 125 Ų | 125 | 123.3 Ų | 123.3 | 67% | 0.668 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -58.2 | -27 | -177.6 | -75.4 | -20.5 | 0 | 0 | 0 | 114 | N39 L43 | N39-D41 PolarHBondContact O-N 2.86Å; N39-D41 VanDerWaalsContact O-N 3.11Å; D41-L43 PolarHBondContact O-N 3.24Å |
| 42 | F | 37.4 | Very low | 40.3 | Very low | 183 Ų | 183 | 126 Ų | 126 | 80% | 0.803 | 65% | 0.649 | S | S | * | * | H | α-helix | trans | -69.9 | -19.1 | 174.2 | -114.9 | -87.7 | 0 | 0 | 0 | 113.1 | D40 | D40-F42 PolarHBondContact O-N 2.93Å; D40-F42 VanDerWaalsContact O-N 3.12Å |
| 43 | L | 36.6 | Very low | 39.1 | Very low | 127 Ų | 127 | 127.5 Ų | 127.5 | 67% | 0.665 | 66% | 0.655 | S | S | * | * | H | α-helix | trans | -87.9 | -20.2 | -175.9 | -143.8 | 79.1 | 0 | 0 | 0 | 113.4 | D40 D41 | D40-L43 WeakPolarHBondContact O-CB 3.41Å; D40-L43 PolarHBondContact O-N 3.06Å; D41-L43 PolarHBondContact O-N 3.24Å |
| 44 | E | 38.9 | Very low | 38.2 | Very low | 130 Ų | 130 | 135.2 Ų | 135.2 | 61% | 0.607 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -87.7 | -39 | -177.8 | -167.3 | 112 | -84.6 | 0 | 0 | 112.4 | C46 K47 | E44-C46 PolarHBondContact O-N 2.97Å; E44-K47 PolarHBondContact O-N 2.9Å; E44-K47 IonicContact OE1-NZ 2.69Å; E44-K47 PolarHBondContact OE1-NZ 3.02Å |
| 45 | H | 38.3 | Very low | 37.7 | Very low | 174 Ų | 174 | 135.4 Ų | 135.4 | 81% | 0.806 | 71% | 0.706 | S | S | * | * | G | 310 helix | trans | -64.1 | -22.1 | -177.8 | -83.8 | 81.6 | 0 | 0 | 0 | 114.2 | K47 | H45-K47 VanDerWaalsContact C-N 3.32Å; H45-K47 PolarHBondContact O-N 3.32Å |
| 46 | C | 36.1 | Very low | 37.5 | Very low | 107 Ų | 107 | 134 Ų | 134 | 72% | 0.723 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -80.4 | -1.2 | -179.3 | -65.9 | 0 | 0 | 0 | 0 | 115.1 | E44 | E44-C46 PolarHBondContact O-N 2.97Š|
| 47 | K | 37.9 | Very low | 37.3 | Very low | 129 Ų | 129 | 132 Ų | 132 | 56% | 0.561 | 71% | 0.71 | S | S | * | * | G | 310 helix | trans | -84.6 | -6.9 | -172.1 | -69.1 | 174.9 | -170.2 | 161.2 | 0 | 116.1 | E44 H45 | E44-K47 PolarHBondContact O-N 2.9Å; E44-K47 IonicContact OE1-NZ 2.69Å; E44-K47 PolarHBondContact OE1-NZ 3.02Å; H45-K47 VanDerWaalsContact C-N 3.32Å; H45-K47 PolarHBondContact O-N 3.32Å |
| 48 | H | 37.4 | Very low | 37.5 | Very low | 189 Ų | 189 | 132.8 Ų | 132.8 | 88% | 0.875 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -129.7 | 44.7 | -170.4 | -77.6 | -55.3 | 0 | 0 | 0 | 115.7 | ||
| 49 | A | 32.5 | Very low | 37.6 | Very low | 92 Ų | 92 | 132.1 Ų | 132.1 | 76% | 0.76 | 73% | 0.725 | S | S | * | * | S | Bend | trans | -142.1 | 99.6 | 167.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||
| 50 | V | 33.9 | Very low | 38 | Very low | 136 Ų | 136 | 132.6 Ų | 132.6 | 82% | 0.824 | 73% | 0.728 | S | S | * | * | trans | 19.3 | 109.2 | 155.8 | -170.9 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 51 | C | 31.9 | Very low | 38.8 | Very low | 114 Ų | 114 | 130.1 Ų | 130.1 | 77% | 0.77 | 72% | 0.72 | S | S | * | * | trans | 21.3 | 105.5 | 143.9 | -51 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 52 | D | 35.7 | Very low | 39.8 | Very low | 166 Ų | 166 | 125.3 Ų | 125.3 | 89% | 0.888 | 70% | 0.696 | S | S | * | * | -164.1 | 167.2 | 108.8 | -108.3 | -16.9 | 0 | 0 | 0 | 111.4 | |||||
| 53 | E | 32.9 | Very low | 41 | Very low | 161 Ų | 161 | 118.2 Ų | 118.2 | 75% | 0.752 | 67% | 0.665 | S | S | * | * | trans | -77.6 | 148.5 | -174.2 | -61 | -173 | 146.1 | 0 | 0 | 114.5 | ||||
| 54 | K | 34.9 | Very low | 42.5 | Very low | 184 Ų | 184 | 118.8 Ų | 118.8 | 80% | 0.8 | 67% | 0.665 | S | S | * | * | trans | 81.5 | 85.9 | 167.4 | -51.1 | 147.7 | -172.3 | 154.7 | 0 | 117.1 | ||||
| 55 | S | 37.2 | Very low | 44 | Very low | 120 Ų | 120 | 115.4 Ų | 115.4 | 84% | 0.839 | 66% | 0.655 | S | S | * | * | -175.9 | 120.7 | 124.2 | 34.1 | 0 | 0 | 0 | 0 | 112.1 | |||||
| 56 | T | 38.8 | Very low | 45.6 | Very low | 139 Ų | 139 | 107.3 Ų | 107.3 | 85% | 0.853 | 62% | 0.618 | S | S | * | * | trans | -82.8 | 133.1 | 155.1 | 46.4 | 0 | 0 | 0 | 0 | 108 | ||||
| 57 | T | 40 | Very low | 47.4 | Very low | 108 Ų | 108 | 103.7 Ų | 103.7 | 66% | 0.663 | 59% | 0.591 | S | S | * | * | trans | -60.9 | 131.2 | -174 | 34.2 | 0 | 0 | 0 | 0 | 112.4 | A59 | T57-A59 VanDerWaalsContact C-N 3.28Å; T57-A59 PolarHBondContact O-N 3.24Å | ||
| 58 | P | 42.9 | Very low | 49.2 | Very low | 105 Ų | 105 | 101.1 Ų | 101.1 | 68% | 0.682 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -83 | 7.3 | -170.7 | 34 | -37.9 | 0 | 0 | 0 | 114.9 | ||
| 59 | A | 46.4 | Very low | 51.2 | Low | 59 Ų | 59 | 93.6 Ų | 93.6 | 49% | 0.488 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -71.7 | -51.4 | -173.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | T57 S61 S62 F63 | T57-A59 VanDerWaalsContact C-N 3.28Å; T57-A59 PolarHBondContact O-N 3.24Å; A59-S61 PolarHBondContact O-N 2.84Å; A59-S62 WeakPolarHBondContact O-CB 3.37Å; A59-S62 PolarHBondContact O-N 2.63Å; A59-S62 VanDerWaalsContact O-N 3.09Å; A59-S62 PolarHBondContact O-OG 3.26Å; A59-F63 PolarHBondContact O-N 3.09Å |
| 60 | D | 46.3 | Very low | 53.3 | Low | 118 Ų | 118 | 89.4 Ų | 89.4 | 63% | 0.631 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -68.6 | -39.6 | -167.6 | -48.4 | -56.7 | 0 | 0 | 0 | 112.3 | S62 F63 E64 | D60-S62 PolarHBondContact O-N 3.44Å; D60-F63 PolarHBondContact O-N 2.87Å; D60-E64 PolarHBondContact O-N 3.45Å; D60-E64 VanDerWaalsContact O-N 3.12Å |
| 61 | S | 58.9 | Low | 55.4 | Low | 66 Ų | 66 | 86.9 Ų | 86.9 | 46% | 0.462 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -67.7 | -21.7 | 175.6 | 58.6 | 0 | 0 | 0 | 0 | 113.4 | A59 S65 | A59-S61 PolarHBondContact O-N 2.84Å; S61-S65 WeakPolarHBondContact O-CB 3.03Å; S61-S65 PolarHBondContact O-N 3.48Å; S61-S65 PolarHBondContact O-OG 3.42Å |
| 62 | S | 61.7 | Low | 57.7 | Low | 25 Ų | 25 | 85.4 Ų | 85.4 | 18% | 0.175 | 48% | 0.481 | C | S | . | . | H | α-helix | trans | -72 | -39.6 | 173.9 | 80.5 | 0 | 0 | 0 | 0 | 111.5 | A59 D60 S65 C66 T121 | A59-S62 WeakPolarHBondContact O-CB 3.37Å; A59-S62 PolarHBondContact O-N 2.63Å; A59-S62 VanDerWaalsContact O-N 3.09Å; A59-S62 PolarHBondContact O-OG 3.26Å; D60-S62 PolarHBondContact O-N 3.44Å; S62-S65 PolarHBondContact O-N 3.47Å; S62-C66 PolarHBondContact O-N 2.8Å; S62-C66 VanDerWaalsContact O-N 3.08Å; S62-C66 PolarHBondContact O-SG 2.99Å; S62-C66 VanDerWaalsContact O-SG 3.35Å; S62-T121 VanDerWaalsContact O-CG2 3.31Å; S62-T121 WeakPolarHBondContact O-CG2 3.36Å |
| 63 | F | 61.9 | Low | 59.7 | Low | 33 Ų | 33 | 77.8 Ų | 77.8 | 15% | 0.145 | 44% | 0.44 | C | S | . | . | H | α-helix | trans | -75.2 | -41.8 | -179.7 | -166.9 | -106 | 0 | 0 | 0 | 112 | F29 L37 A59 D60 S65 C66 I67 K151 L155 | F29-F63 AromaticContact CE1-CZ 3.92Å; F29-F63 HydrophobicContact CE1-CZ 3.92Å; F29-F63 HydrophobicContact CZ-CE2 4.3Å; F29-F63 AromaticContact CZ-CZ 3.74Å; F29-F63 HydrophobicContact CZ-CZ 3.74Å; L37-F63 HydrophobicContact CD2-CD1 4.48Å; A59-F63 PolarHBondContact O-N 3.09Å; D60-F63 PolarHBondContact O-N 2.87Å; F63-S65 VanDerWaalsContact C-N 3.27Å; F63-S65 PolarHBondContact O-N 3.27Å; F63-C66 PolarHBondContact O-N 3.26Å; F63-C66 VanDerWaalsContact O-N 3.1Å; F63-I67 HydrophobicContact CD1-CD1 3.95Å; F63-I67 HydrophobicContact CE1-CD1 3.78Å; F63-I67 HydrophobicContact CE1-CG1 4.42Å; F63-I67 PolarHBondContact O-N 3.29Å; F63-K151 HydrophobicContact CE2-CB 4.38Å; F63-L155 HydrophobicContact CE2-CD1 4.33Å |
| 64 | E | 67.6 | Low | 61.9 | Low | 140 Ų | 140 | 72.2 Ų | 72.2 | 65% | 0.654 | 42% | 0.418 | S | S | * | . | H | α-helix | trans | -58.5 | -40.3 | 171.9 | -168.8 | 175 | -154.9 | 0 | 0 | 111.1 | D60 C66 I67 V68 | D60-E64 PolarHBondContact O-N 3.45Å; D60-E64 VanDerWaalsContact O-N 3.12Å; E64-C66 PolarHBondContact O-N 2.93Å; E64-I67 PolarHBondContact O-N 2.83Å; E64-V68 WeakPolarHBondContact O-CG2 3.39Å; E64-V68 PolarHBondContact O-N 3.41Å |
| 65 | S | 71.6 | Confident | 64.2 | Low | 59 Ų | 59 | 66.9 Ų | 66.9 | 41% | 0.413 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 173.7 | -60.8 | 0 | 0 | 0 | 0 | 113 | S61 S62 F63 L69 | S61-S65 WeakPolarHBondContact O-CB 3.03Å; S61-S65 PolarHBondContact O-N 3.48Å; S61-S65 PolarHBondContact O-OG 3.42Å; S62-S65 PolarHBondContact O-N 3.47Å; F63-S65 VanDerWaalsContact C-N 3.27Å; F63-S65 PolarHBondContact O-N 3.27Å; S65-L69 WeakPolarHBondContact O-CB 3.42Å; S65-L69 WeakPolarHBondContact O-CD1 3.36Å; S65-L69 VanDerWaalsContact O-CG 3.26Å; S65-L69 WeakPolarHBondContact O-CG 3.45Å; S65-L69 PolarHBondContact O-N 2.82Å; S65-L69 VanDerWaalsContact O-N 3.09Å |
| 66 | C | 71.3 | Confident | 66.4 | Low | 3 Ų | 3 | 61.8 Ų | 61.8 | 2% | 0.02 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -69.2 | -34.3 | 177.3 | -71.8 | 0 | 0 | 0 | 0 | 113.1 | S62 F63 E64 L69 L70 T121 L155 | S62-C66 PolarHBondContact O-N 2.8Å; S62-C66 VanDerWaalsContact O-N 3.08Å; S62-C66 PolarHBondContact O-SG 2.99Å; S62-C66 VanDerWaalsContact O-SG 3.35Å; F63-C66 PolarHBondContact O-N 3.26Å; F63-C66 VanDerWaalsContact O-N 3.1Å; E64-C66 PolarHBondContact O-N 2.93Å; C66-L69 PolarHBondContact O-N 2.84Å; C66-L70 WeakPolarHBondContact O-CG 3.46Å; C66-L70 PolarHBondContact O-N 3.43Å; C66-T121 VanDerWaalsContact SG-CG2 3.6Å; C66-L155 HydrophobicContact CB-CD1 3.9Å |
| 67 | I | 72.7 | Confident | 68.3 | Low | 32 Ų | 32 | 55.6 Ų | 55.6 | 16% | 0.164 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -64.1 | -49.7 | 174.8 | -67.1 | 170.9 | 0 | 0 | 0 | 110.2 | F63 E64 L69 L70 E71 | F63-I67 HydrophobicContact CD1-CD1 3.95Å; F63-I67 HydrophobicContact CE1-CD1 3.78Å; F63-I67 HydrophobicContact CE1-CG1 4.42Å; F63-I67 PolarHBondContact O-N 3.29Å; E64-I67 PolarHBondContact O-N 2.83Å; I67-L69 VanDerWaalsContact C-N 3.25Å; I67-L69 PolarHBondContact O-N 2.95Å; I67-L70 WeakPolarHBondContact O-CA 3.3Å; I67-L70 WeakPolarHBondContact O-CB 3.43Å; I67-L70 PolarHBondContact O-N 2.98Å; I67-E71 PolarHBondContact O-N 3Å |
| 68 | V | 77.6 | Confident | 70.3 | Confident | 75 Ų | 75 | 56.9 Ų | 56.9 | 46% | 0.455 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -59.5 | -37 | 177.6 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | E64 E71 D72 | E64-V68 WeakPolarHBondContact O-CG2 3.39Å; E64-V68 PolarHBondContact O-N 3.41Å; V68-E71 PolarHBondContact O-N 3.38Å; V68-D72 PolarHBondContact O-N 2.94Å |
| 69 | L | 78.8 | Confident | 72.1 | Confident | 31 Ų | 31 | 54.7 Ų | 54.7 | 16% | 0.162 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -71.1 | -26.7 | 175.2 | -72 | 167.8 | 0 | 0 | 0 | 113.4 | S65 C66 I67 L73 I114 I118 | S65-L69 WeakPolarHBondContact O-CB 3.42Å; S65-L69 WeakPolarHBondContact O-CD1 3.36Å; S65-L69 VanDerWaalsContact O-CG 3.26Å; S65-L69 WeakPolarHBondContact O-CG 3.45Å; S65-L69 PolarHBondContact O-N 2.82Å; S65-L69 VanDerWaalsContact O-N 3.09Å; C66-L69 PolarHBondContact O-N 2.84Å; I67-L69 VanDerWaalsContact C-N 3.25Å; I67-L69 PolarHBondContact O-N 2.95Å; L69-L73 WeakPolarHBondContact O-CB 3.33Å; L69-L73 PolarHBondContact O-N 3.3Å; L69-I114 HydrophobicContact CB-CG2 4.19Å; L69-I114 HydrophobicContact CD2-CG2 4.28Å; L69-I114 WeakPolarHBondContact O-CG2 3.43Å; L69-I118 HydrophobicContact CB-CD1 3.87Å; L69-I118 HydrophobicContact CB-CG1 3.49Å; L69-I118 VanDerWaalsContact CB-CG1 3.49Å; L69-I118 HydrophobicContact CD1-CG1 3.86Å; L69-I118 HydrophobicContact CG-CG1 4.29Å |
| 70 | L | 75.7 | Confident | 73.6 | Confident | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.5 | -37.6 | 171.5 | -75.2 | 170.6 | 0 | 0 | 0 | 111.8 | C66 I67 L73 S74 I118 L155 I158 L159 L162 | C66-L70 WeakPolarHBondContact O-CG 3.46Å; C66-L70 PolarHBondContact O-N 3.43Å; I67-L70 WeakPolarHBondContact O-CA 3.3Å; I67-L70 WeakPolarHBondContact O-CB 3.43Å; I67-L70 PolarHBondContact O-N 2.98Å; L70-L73 PolarHBondContact O-N 3.02Å; L70-S74 PolarHBondContact O-N 3.46Å; L70-S74 PolarHBondContact O-OG 3.01Å; L70-I118 HydrophobicContact CD2-CD1 4.07Å; L70-I118 HydrophobicContact CG-CD1 4.25Å; L70-L155 HydrophobicContact CD1-CD2 3.91Å; L70-L155 HydrophobicContact CD1-CG 4.02Å; L70-L155 HydrophobicContact CD2-CD2 4.49Å; L70-L155 HydrophobicContact CG-CD2 4.46Å; L70-I158 HydrophobicContact CD1-CG2 4.48Å; L70-I158 HydrophobicContact CD2-CG2 4.18Å; L70-L159 HydrophobicContact CD2-CD2 3.93Å; L70-L159 HydrophobicContact CD2-CG 4.24Å; L70-L162 HydrophobicContact CD2-CD1 4.1Å |
| 71 | E | 77.6 | Confident | 75 | Confident | 84 Ų | 84 | 49.5 Ų | 49.5 | 39% | 0.393 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 170.6 | -69.2 | 175.1 | 178.8 | 0 | 0 | 111.3 | L26 I67 V68 L73 S74 E75 | L26-E71 HydrophobicContact CD2-CG 4.02Å; I67-E71 PolarHBondContact O-N 3Å; V68-E71 PolarHBondContact O-N 3.38Å; E71-L73 PolarHBondContact O-N 3.15Å; E71-S74 PolarHBondContact O-N 3.07Å; E71-S74 PolarHBondContact O-OG 2.8Å; E71-S74 VanDerWaalsContact O-OG 3.12Å; E71-E75 VanDerWaalsContact O-CB 3.28Å; E71-E75 WeakPolarHBondContact O-CB 3.44Å; E71-E75 PolarHBondContact O-N 3.41Å |
| 72 | D | 80.3 | Confident | 75.8 | Confident | 83 Ų | 83 | 50.6 Ų | 50.6 | 44% | 0.444 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.7 | -33.2 | 173.3 | -94.3 | -16.9 | 0 | 0 | 0 | 112.3 | V68 L76 I114 | V68-D72 PolarHBondContact O-N 2.94Å; D72-L76 VanDerWaalsContact O-CB 3.25Å; D72-L76 WeakPolarHBondContact O-CB 3.41Å; D72-L76 PolarHBondContact O-N 2.97Å; D72-L76 VanDerWaalsContact O-N 3.1Å; D72-I114 HydrophobicContact CB-CD1 4.3Å |
| 73 | L | 79.3 | Confident | 76.3 | Confident | 6 Ų | 6 | 53 Ų | 53 | 3% | 0.031 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -76.7 | -43.2 | 179.3 | -172.5 | 57.5 | 0 | 0 | 0 | 112.6 | L69 L70 E71 L76 L77 K111 I114 I115 L159 L162 | L69-L73 WeakPolarHBondContact O-CB 3.33Å; L69-L73 PolarHBondContact O-N 3.3Å; L70-L73 PolarHBondContact O-N 3.02Å; E71-L73 PolarHBondContact O-N 3.15Å; L73-L76 PolarHBondContact O-N 2.94Å; L73-L77 PolarHBondContact O-N 2.91Å; L73-K111 HydrophobicContact CD1-CB 4.49Å; L73-K111 HydrophobicContact CD1-CG 4.25Å; L73-I114 HydrophobicContact CB-CG2 4.04Å; L73-I114 HydrophobicContact CD1-CD1 4.38Å; L73-I115 HydrophobicContact CD2-CG1 4.34Å; L73-L159 HydrophobicContact CD2-CD2 4.07Å; L73-L162 HydrophobicContact CD2-CB 4.43Å; L73-L162 HydrophobicContact CD2-CD1 3.98Å; L73-L162 HydrophobicContact CG-CD1 4.32Å |
| 74 | S | 78.9 | Confident | 76.6 | Confident | 43 Ų | 43 | 53.7 Ų | 53.7 | 30% | 0.301 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -67.8 | -39.2 | 176.9 | 67 | 0 | 0 | 0 | 0 | 111 | L70 E71 L76 L77 R78 | L70-S74 PolarHBondContact O-N 3.46Å; L70-S74 PolarHBondContact O-OG 3.01Å; E71-S74 PolarHBondContact O-N 3.07Å; E71-S74 PolarHBondContact O-OG 2.8Å; E71-S74 VanDerWaalsContact O-OG 3.12Å; S74-L76 PolarHBondContact O-N 2.96Å; S74-L77 PolarHBondContact O-N 3.32Å; S74-R78 WeakPolarHBondContact O-CB 3.4Å; S74-R78 PolarHBondContact O-N 3.13Å |
| 75 | E | 82.8 | Confident | 76.6 | Confident | 73 Ų | 73 | 52.4 Ų | 52.4 | 34% | 0.341 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -64.8 | -38.9 | 173.7 | -177.9 | 59.4 | -170.6 | 0 | 0 | 111.8 | E71 L77 R78 N79 | E71-E75 VanDerWaalsContact O-CB 3.28Å; E71-E75 WeakPolarHBondContact O-CB 3.44Å; E71-E75 PolarHBondContact O-N 3.41Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.18Å; E75-R78 PolarHBondContact O-N 3.26Å; E75-R78 IonicContact OE1-CZ 2.83Å; E75-R78 IonicContact OE1-NE 3.06Å; E75-R78 IonicContact OE1-NH2 2.69Å; E75-R78 PolarHBondContact OE1-NH2 2.76Å; E75-R78 VanDerWaalsContact OE1-NH2 3.08Å; E75-R78 IonicContact OE2-CZ 3.21Å; E75-R78 IonicContact OE2-NE 2.69Å; E75-R78 PolarHBondContact OE2-NE 3.28Å; E75-R78 IonicContact OE2-NH2 2.66Å; E75-R78 PolarHBondContact OE2-NH2 3.35Å; E75-N79 WeakPolarHBondContact O-CB 3.28Å; E75-N79 PolarHBondContact O-N 3.43Å; E75-N79 PolarHBondContact O-ND2 3.49Å; E75-N79 PolarHBondContact OE1-ND2 3.37Å |
| 76 | L | 82.7 | Confident | 76 | Confident | 12 Ų | 12 | 56.2 Ų | 56.2 | 6% | 0.063 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -62.1 | -39.9 | 174.4 | -176.2 | 69.4 | 0 | 0 | 0 | 112.1 | D72 L73 S74 L80 Y107 R110 I114 W166 | D72-L76 VanDerWaalsContact O-CB 3.25Å; D72-L76 WeakPolarHBondContact O-CB 3.41Å; D72-L76 PolarHBondContact O-N 2.97Å; D72-L76 VanDerWaalsContact O-N 3.1Å; L73-L76 PolarHBondContact O-N 2.94Å; S74-L76 PolarHBondContact O-N 2.96Å; L76-L80 PolarHBondContact O-N 3.03Å; L76-L80 VanDerWaalsContact O-N 3.09Å; L76-Y107 HydrophobicContact CD1-CD1 3.63Å; L76-Y107 HydrophobicContact CD1-CE1 3.76Å; L76-Y107 HydrophobicContact CG-CD1 4.08Å; L76-Y107 HydrophobicContact CG-CE1 4.46Å; L76-R110 HydrophobicContact CD1-CB 4.21Å; L76-R110 HydrophobicContact CD2-CB 3.57Å; L76-I114 HydrophobicContact CD2-CD1 3.98Å; L76-W166 HydrophobicContact CD2-CH2 3.68Å; L76-W166 HydrophobicContact CD2-CZ3 3.72Å; L76-W166 HydrophobicContact CG-CH2 4Å; L76-W166 HydrophobicContact CG-CZ3 3.87Å |
| 77 | L | 80.4 | Confident | 75.3 | Confident | 9 Ų | 9 | 58.8 Ų | 58.8 | 5% | 0.047 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -70.1 | -41.5 | 176.5 | -176.6 | 59.9 | 0 | 0 | 0 | 111.8 | L73 S74 E75 L80 R81 L162 E165 W166 | L73-L77 PolarHBondContact O-N 2.91Å; S74-L77 PolarHBondContact O-N 3.32Å; E75-L77 VanDerWaalsContact C-N 3.33Å; E75-L77 PolarHBondContact O-N 3.18Å; L77-L80 WeakPolarHBondContact O-CB 3.43Å; L77-L80 PolarHBondContact O-N 3.1Å; L77-L80 VanDerWaalsContact O-N 3.12Å; L77-R81 PolarHBondContact O-N 3.38Å; L77-L162 HydrophobicContact CD2-CD2 3.96Å; L77-E165 HydrophobicContact CD2-CB 4.18Å; L77-E165 HydrophobicContact CD2-CG 4.2Å; L77-W166 HydrophobicContact CB-CE3 4.49Å; L77-W166 HydrophobicContact CD1-CB 4.41Å; L77-W166 HydrophobicContact CD1-CE3 4Å |
| 78 | R | 81.1 | Confident | 74.4 | Confident | 135 Ų | 135 | 58.8 Ų | 58.8 | 51% | 0.509 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -60.5 | -45.8 | 174.2 | -170.5 | 174.1 | 71.6 | 146.7 | 4.7 | 112 | S74 E75 L80 R81 Q82 | S74-R78 WeakPolarHBondContact O-CB 3.4Å; S74-R78 PolarHBondContact O-N 3.13Å; E75-R78 PolarHBondContact O-N 3.26Å; E75-R78 IonicContact OE1-CZ 2.83Å; E75-R78 IonicContact OE1-NE 3.06Å; E75-R78 IonicContact OE1-NH2 2.69Å; E75-R78 PolarHBondContact OE1-NH2 2.76Å; E75-R78 VanDerWaalsContact OE1-NH2 3.08Å; E75-R78 IonicContact OE2-CZ 3.21Å; E75-R78 IonicContact OE2-NE 2.69Å; E75-R78 PolarHBondContact OE2-NE 3.28Å; E75-R78 IonicContact OE2-NH2 2.66Å; E75-R78 PolarHBondContact OE2-NH2 3.35Å; R78-L80 VanDerWaalsContact C-N 3.26Å; R78-L80 PolarHBondContact O-N 3.01Å; R78-R81 PolarHBondContact O-N 3.48Å; R78-Q82 WeakPolarHBondContact O-CG 3.32Å; R78-Q82 PolarHBondContact O-N 2.67Å |
| 79 | N | 80.6 | Confident | 73.6 | Confident | 60 Ų | 60 | 62.8 Ų | 62.8 | 32% | 0.321 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -64.8 | -28.8 | 174.5 | -83 | -94.7 | 0 | 0 | 0 | 112.7 | E75 R83 | E75-N79 WeakPolarHBondContact O-CB 3.28Å; E75-N79 PolarHBondContact O-N 3.43Å; E75-N79 PolarHBondContact O-ND2 3.49Å; E75-N79 PolarHBondContact OE1-ND2 3.37Å; N79-R83 WeakPolarHBondContact O-CG 3.32Å; N79-R83 PolarHBondContact O-N 3.03Å |
| 80 | L | 77.3 | Confident | 72.9 | Confident | 1 Ų | 1 | 62.2 Ų | 62.2 | 1% | 0.005 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -71.4 | -49.6 | 173.2 | -174.8 | 61.4 | 0 | 0 | 0 | 110.4 | L76 L77 R78 Q82 R83 V84 L100 Y107 W166 T169 I173 | L76-L80 PolarHBondContact O-N 3.03Å; L76-L80 VanDerWaalsContact O-N 3.09Å; L77-L80 WeakPolarHBondContact O-CB 3.43Å; L77-L80 PolarHBondContact O-N 3.1Å; L77-L80 VanDerWaalsContact O-N 3.12Å; R78-L80 VanDerWaalsContact C-N 3.26Å; R78-L80 PolarHBondContact O-N 3.01Å; L80-Q82 PolarHBondContact O-N 3.08Å; L80-R83 PolarHBondContact O-N 3.49Å; L80-R83 VanDerWaalsContact O-N 3.11Å; L80-V84 WeakPolarHBondContact O-CG2 3.29Å; L80-V84 PolarHBondContact O-N 2.74Å; L80-V84 VanDerWaalsContact O-N 3.14Å; L80-L100 HydrophobicContact CD1-CD1 3.97Å; L80-L100 HydrophobicContact CD1-CD2 4.21Å; L80-L100 HydrophobicContact CD1-CG 4.27Å; L80-Y107 HydrophobicContact CB-CD1 4.18Å; L80-Y107 HydrophobicContact CB-CE1 4.03Å; L80-Y107 HydrophobicContact CD1-CD1 4Å; L80-Y107 HydrophobicContact CD1-CD2 4.14Å; L80-Y107 HydrophobicContact CD1-CE1 4.11Å; L80-Y107 HydrophobicContact CD1-CE2 4.27Å; L80-Y107 HydrophobicContact CD1-CG 4.03Å; L80-Y107 HydrophobicContact CG-CD1 4.48Å; L80-W166 HydrophobicContact CD2-CH2 4.37Å; L80-W166 HydrophobicContact CD2-CZ2 4.4Å; L80-T169 HydrophobicContact CD2-CG2 3.73Å; L80-T169 HydrophobicContact CG-CG2 3.86Å; L80-I173 HydrophobicContact CD1-CD1 3.79Å; L80-I173 HydrophobicContact CD2-CD1 4.31Å; L80-I173 HydrophobicContact CG-CD1 4.09Å |
| 81 | R | 77.1 | Confident | 72.9 | Confident | 66 Ų | 66 | 64.2 Ų | 64.2 | 25% | 0.249 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -56.6 | -49.2 | 179 | -167.3 | -165.8 | -76.6 | -168.1 | 0.9 | 111.9 | D19 L77 R78 R83 V84 E85 E165 | D19-R81 IonicContact OD1-NH1 3.62Å; D19-R81 PolarHBondContact OD1-NH1 3.24Å; L77-R81 PolarHBondContact O-N 3.38Å; R78-R81 PolarHBondContact O-N 3.48Å; R81-R83 PolarHBondContact O-N 3.17Å; R81-V84 WeakPolarHBondContact O-CB 3.38Å; R81-V84 PolarHBondContact O-N 2.92Å; R81-E85 WeakPolarHBondContact CD-OE1 3.12Å; R81-E85 WeakPolarHBondContact CG-OE1 3.42Å; R81-E85 PolarHBondContact O-N 3.12Å; R81-E85 VanDerWaalsContact O-N 3.11Å; R81-E165 IonicContact CZ-OE1 2.59Å; R81-E165 IonicContact NE-OE1 2.7Å; R81-E165 IonicContact NH2-OE1 3.14Å; R81-E165 PolarHBondContact NH2-OE1 3.31Å |
| 82 | Q | 75.5 | Confident | 72.7 | Confident | 89 Ų | 89 | 60.6 Ų | 60.6 | 42% | 0.416 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -58.7 | -33.4 | 177.4 | -72.6 | 177.7 | -10.2 | 0 | 0 | 113.1 | R78 L80 L86 | R78-Q82 WeakPolarHBondContact O-CG 3.32Å; R78-Q82 PolarHBondContact O-N 2.67Å; L80-Q82 PolarHBondContact O-N 3.08Å; Q82-L86 WeakPolarHBondContact O-CB 3.31Å; Q82-L86 WeakPolarHBondContact O-CD1 3.49Å; Q82-L86 VanDerWaalsContact O-CG 3.24Å; Q82-L86 WeakPolarHBondContact O-CG 3.47Å; Q82-L86 PolarHBondContact O-N 3.14Å |
| 83 | R | 70.9 | Confident | 72.3 | Confident | 77 Ų | 77 | 58.7 Ų | 58.7 | 29% | 0.291 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -72.2 | -32.5 | 174.3 | -76 | -174.3 | 178.6 | -148 | -8.7 | 113.2 | N79 L80 R81 E85 E87 L100 E103 Y107 | N79-R83 WeakPolarHBondContact O-CG 3.32Å; N79-R83 PolarHBondContact O-N 3.03Å; L80-R83 PolarHBondContact O-N 3.49Å; L80-R83 VanDerWaalsContact O-N 3.11Å; R81-R83 PolarHBondContact O-N 3.17Å; R83-E85 VanDerWaalsContact C-N 3.35Å; R83-E87 PolarHBondContact O-N 2.83Å; R83-L100 HydrophobicContact CB-CD1 3.89Å; R83-L100 HydrophobicContact CB-CD2 4.13Å; R83-E103 IonicContact CZ-OE2 3.65Å; R83-E103 IonicContact NH1-OE1 3.92Å; R83-E103 PolarHBondContact NH1-OE1 3.43Å; R83-E103 IonicContact NH1-OE2 2.72Å; R83-E103 PolarHBondContact NH1-OE2 3.09Å; R83-Y107 WeakPolarHBondContact CD-OH 3.15Å; R83-Y107 PolarHBondContact NE-OH 3.18Å |
| 84 | V | 68.5 | Low | 72.1 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 29% | 0.285 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -64 | -43.1 | 172.7 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | L80 R81 L100 T169 I173 | L80-V84 WeakPolarHBondContact O-CG2 3.29Å; L80-V84 PolarHBondContact O-N 2.74Å; L80-V84 VanDerWaalsContact O-N 3.14Å; R81-V84 WeakPolarHBondContact O-CB 3.38Å; R81-V84 PolarHBondContact O-N 2.92Å; V84-L100 HydrophobicContact CG2-CD2 3.73Å; V84-T169 HydrophobicContact CG2-CG2 4.45Å; V84-I173 HydrophobicContact CG2-CD1 3.7Å; V84-I173 HydrophobicContact CG2-CG1 3.58Å |
| 85 | E | 67.1 | Low | 71.9 | Confident | 112 Ų | 112 | 60.9 Ų | 60.9 | 52% | 0.523 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.7 | -35.5 | 179.5 | -69.3 | 158 | -175.3 | 0 | 0 | 112.4 | R81 R83 | R81-E85 WeakPolarHBondContact CD-OE1 3.12Å; R81-E85 WeakPolarHBondContact CG-OE1 3.42Å; R81-E85 PolarHBondContact O-N 3.12Å; R81-E85 VanDerWaalsContact O-N 3.11Å; R83-E85 VanDerWaalsContact C-N 3.35Å |
| 86 | L | 59.4 | Low | 71.2 | Confident | 140 Ų | 140 | 59.7 Ų | 59.7 | 73% | 0.733 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -78.6 | -30.2 | 179.1 | -76.1 | 168.6 | 0 | 0 | 0 | 114.9 | Q82 G88 | Q82-L86 WeakPolarHBondContact O-CB 3.31Å; Q82-L86 WeakPolarHBondContact O-CD1 3.49Å; Q82-L86 VanDerWaalsContact O-CG 3.24Å; Q82-L86 WeakPolarHBondContact O-CG 3.47Å; Q82-L86 PolarHBondContact O-N 3.14Å; L86-G88 VanDerWaalsContact C-N 3.3Å; L86-G88 PolarHBondContact O-N 3.17Å |
| 87 | E | 56.5 | Low | 70.2 | Confident | 56 Ų | 56 | 66.6 Ų | 66.6 | 26% | 0.262 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -70.7 | -20.4 | -173.2 | -84.9 | -162 | 160.7 | 0 | 0 | 113.9 | R83 Q93 T98 T99 L100 | R83-E87 PolarHBondContact O-N 2.83Å; E87-Q93 PolarHBondContact O-NE2 3.03Å; E87-Q93 PolarHBondContact O-OE1 2.85Å; E87-T98 WeakPolarHBondContact OE2-CB 3.45Å; E87-T98 PolarHBondContact OE2-OG1 3.27Å; E87-T99 VanDerWaalsContact OE1-CB 3.28Å; E87-T99 WeakPolarHBondContact OE1-CB 3.22Å; E87-T99 PolarHBondContact OE1-OG1 3.38Å; E87-L100 PolarHBondContact OE1-N 3.19Å; E87-L100 VanDerWaalsContact OE1-N 3.13Å; E87-L100 VanDerWaalsContact OE2-CB 3.25Å; E87-L100 WeakPolarHBondContact OE2-CB 3.48Å; E87-L100 PolarHBondContact OE2-N 3.39Å |
| 88 | G | 55 | Low | 69.4 | Low | 33 Ų | 33 | 67.2 Ų | 67.2 | 34% | 0.34 | 33% | 0.327 | S | S | . | . | trans | 158.2 | 171.4 | 160.7 | 0 | 0 | 0 | 0 | 0 | 117.6 | L86 | L86-G88 VanDerWaalsContact C-N 3.3Å; L86-G88 PolarHBondContact O-N 3.17Å | ||
| 89 | H | 59.8 | Low | 68.4 | Low | 159 Ų | 159 | 65.7 Ų | 65.7 | 74% | 0.736 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -111.8 | 13.3 | -168.9 | -53.4 | -17.4 | 0 | 0 | 0 | 113.8 | ||
| 90 | G | 65 | Low | 67.6 | Low | 19 Ų | 19 | 63 Ų | 63 | 20% | 0.196 | 32% | 0.318 | C | S | . | . | trans | -97.5 | 138.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 112.9 | F92 Q93 D192 | G90-F92 VanDerWaalsContact C-N 3.26Å; G90-F92 PolarHBondContact O-N 3.01Å; G90-Q93 VanDerWaalsContact O-CB 3.31Å; G90-Q93 WeakPolarHBondContact O-CB 3.32Å; G90-Q93 PolarHBondContact O-N 2.95Å; G90-D192 WeakPolarHBondContact CA-OD2 3.37Å | ||
| 91 | N | 75.5 | Confident | 67.1 | Low | 44 Ų | 44 | 64 Ų | 64 | 24% | 0.235 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -57.9 | -37.4 | 169.7 | -84.7 | -39.1 | 0 | 0 | 0 | 112.6 | Q93 K94 D188 D192 K195 | N91-Q93 PolarHBondContact O-N 2.85Å; N91-Q93 VanDerWaalsContact O-N 3.12Å; N91-K94 WeakPolarHBondContact O-CD 3.16Å; N91-K94 WeakPolarHBondContact O-CE 3.47Å; N91-K94 VanDerWaalsContact O-CG 3.31Å; N91-K94 WeakPolarHBondContact O-CG 3.47Å; N91-K94 PolarHBondContact O-N 3.29Å; N91-K94 PolarHBondContact OD1-NZ 2.92Å; N91-D188 HydrophobicContact CB-CB 3.78Å; N91-D188 VanDerWaalsContact CB-OD1 3.3Å; N91-D188 WeakPolarHBondContact CB-OD1 3.44Å; N91-D192 WeakPolarHBondContact CA-OD2 3.36Å; N91-D192 WeakPolarHBondContact CB-OD2 3.4Å; N91-D192 VanDerWaalsContact N-CG 3.33Å; N91-D192 PolarHBondContact N-OD1 2.89Å; N91-D192 VanDerWaalsContact N-OD1 3.16Å; N91-D192 PolarHBondContact N-OD2 3.36Å; N91-K195 PolarHBondContact ND2-NZ 3.17Å |
| 92 | F | 73.1 | Confident | 66.5 | Low | 9 Ų | 9 | 64.7 Ų | 64.7 | 4% | 0.039 | 33% | 0.333 | C | S | . | . | G | 310 helix | trans | -59.3 | -20.8 | 178.5 | 82.9 | -69.3 | 0 | 0 | 0 | 114.2 | G90 K94 Y95 L96 I189 D192 T245 T248 I249 L252 | G90-F92 VanDerWaalsContact C-N 3.26Å; G90-F92 PolarHBondContact O-N 3.01Å; F92-K94 PolarHBondContact O-N 3.29Å; F92-Y95 WeakPolarHBondContact O-CD2 3.4Å; F92-Y95 PolarHBondContact O-N 3.32Å; F92-Y95 VanDerWaalsContact O-N 3.09Å; F92-L96 HydrophobicContact CD2-CD1 4.03Å; F92-L96 HydrophobicContact CE2-CD1 3.59Å; F92-L96 HydrophobicContact CZ-CD1 4.43Å; F92-I189 HydrophobicContact CB-CG1 3.79Å; F92-D192 WeakPolarHBondContact CD1-OD2 3.45Å; F92-D192 PolarHBondContact N-OD2 2.88Å; F92-T245 HydrophobicContact CD1-CG2 4.49Å; F92-T245 HydrophobicContact CE1-CG2 3.6Å; F92-T245 HydrophobicContact CZ-CG2 3.83Å; F92-T248 WeakPolarHBondContact CE2-OG1 3.48Å; F92-I249 HydrophobicContact CB-CG1 4.26Å; F92-I249 HydrophobicContact CD1-CD1 4.21Å; F92-I249 HydrophobicContact CD1-CG1 4.12Å; F92-I249 HydrophobicContact CD2-CD1 4.44Å; F92-I249 HydrophobicContact CD2-CG1 3.49Å; F92-I249 VanDerWaalsContact CD2-CG1 3.49Å; F92-I249 HydrophobicContact CE1-CG1 4.39Å; F92-I249 HydrophobicContact CE2-CG1 3.76Å; F92-I249 HydrophobicContact CG-CD1 4.19Å; F92-I249 HydrophobicContact CG-CG1 3.68Å; F92-I249 HydrophobicContact CZ-CG1 4.22Å; F92-L252 HydrophobicContact CD2-CD2 4.27Å |
| 93 | Q | 72.1 | Confident | 66.4 | Low | 43 Ų | 43 | 62.2 Ų | 62.2 | 20% | 0.201 | 32% | 0.322 | C | S | . | . | G | 310 helix | trans | -65.5 | -24.1 | -175.5 | -170.3 | 147.2 | -0.3 | 0 | 0 | 113.1 | E87 G90 N91 Y95 L96 T98 | E87-Q93 PolarHBondContact O-NE2 3.03Å; E87-Q93 PolarHBondContact O-OE1 2.85Å; G90-Q93 VanDerWaalsContact O-CB 3.31Å; G90-Q93 WeakPolarHBondContact O-CB 3.32Å; G90-Q93 PolarHBondContact O-N 2.95Å; N91-Q93 PolarHBondContact O-N 2.85Å; N91-Q93 VanDerWaalsContact O-N 3.12Å; Q93-Y95 PolarHBondContact O-N 2.94Å; Q93-L96 PolarHBondContact O-N 3.4Å; Q93-L96 VanDerWaalsContact O-N 3.13Å; Q93-T98 HydrophobicContact CG-CG2 4.01Å |
| 94 | K | 74.7 | Confident | 66.6 | Low | 83 Ų | 83 | 59.6 Ų | 59.6 | 36% | 0.361 | 31% | 0.313 | S | S | . | . | G | 310 helix | trans | -57.2 | -18.9 | 173 | -56.5 | 164.1 | -157 | 159.4 | 0 | 113.2 | N91 F92 P175 I176 D188 | N91-K94 WeakPolarHBondContact O-CD 3.16Å; N91-K94 WeakPolarHBondContact O-CE 3.47Å; N91-K94 VanDerWaalsContact O-CG 3.31Å; N91-K94 WeakPolarHBondContact O-CG 3.47Å; N91-K94 PolarHBondContact O-N 3.29Å; N91-K94 PolarHBondContact OD1-NZ 2.92Å; F92-K94 PolarHBondContact O-N 3.29Å; K94-P175 WeakPolarHBondContact O-CA 3.4Å; K94-I176 HydrophobicContact CB-CD1 4.19Å; K94-I176 PolarHBondContact O-N 3.06Å; K94-D188 IonicContact NZ-OD1 2.75Å; K94-D188 PolarHBondContact NZ-OD1 3.38Å; K94-D188 IonicContact NZ-OD2 3.15Å |
| 95 | Y | 74.4 | Confident | 66.9 | Low | 12 Ų | 12 | 62.9 Ų | 62.9 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | G | 310 helix | trans | -104.9 | 0.2 | -177.3 | -53.2 | -85 | 0 | 0 | 0 | 113.8 | F92 Q93 I176 P178 S184 F185 D188 | F92-Y95 WeakPolarHBondContact O-CD2 3.4Å; F92-Y95 PolarHBondContact O-N 3.32Å; F92-Y95 VanDerWaalsContact O-N 3.09Å; Q93-Y95 PolarHBondContact O-N 2.94Å; Y95-I176 HydrophobicContact CD1-CB 3.94Å; Y95-I176 HydrophobicContact CD1-CG2 3.99Å; Y95-I176 WeakPolarHBondContact CD1-O 3.14Å; Y95-I176 HydrophobicContact CE1-CB 3.93Å; Y95-I176 HydrophobicContact CE1-CG2 3.6Å; Y95-P178 HydrophobicContact CD1-CB 4.21Å; Y95-S184 VanDerWaalsContact OH-C 3.23Å; Y95-S184 PolarHBondContact OH-O 3.24Å; Y95-S184 PolarHBondContact OH-OG 3.43Å; Y95-F185 HydrophobicContact CD1-CB 4.39Å; Y95-F185 AromaticContact CD1-CD2 3.79Å; Y95-F185 HydrophobicContact CD1-CD2 3.79Å; Y95-F185 AromaticContact CD2-CD2 3.93Å; Y95-F185 HydrophobicContact CD2-CD2 3.93Å; Y95-F185 HydrophobicContact CE1-CB 3.91Å; Y95-F185 HydrophobicContact CE1-CD2 4.12Å; Y95-F185 HydrophobicContact CE2-CD2 4.27Å; Y95-F185 AromaticContact CG-CD2 3.71Å; Y95-F185 HydrophobicContact CG-CD2 3.71Å; Y95-F185 HydrophobicContact CG-CE2 4.3Å; Y95-F185 PolarHBondContact OH-N 3.45Å; Y95-D188 HydrophobicContact CE2-CB 3.84Å; Y95-D188 WeakPolarHBondContact CE2-OD2 3.29Å; Y95-D188 VanDerWaalsContact CZ-OD2 3.3Å; Y95-D188 PolarHBondContact OH-OD2 3.4Å |
| 96 | L | 67.9 | Low | 67.5 | Low | 48 Ų | 48 | 60 Ų | 60 | 25% | 0.251 | 31% | 0.312 | S | S | . | . | S | Bend | trans | -101.3 | 138.8 | -179.5 | -72.2 | 176.5 | 0 | 0 | 0 | 112.2 | F92 Q93 T98 L252 | F92-L96 HydrophobicContact CD2-CD1 4.03Å; F92-L96 HydrophobicContact CE2-CD1 3.59Å; F92-L96 HydrophobicContact CZ-CD1 4.43Å; Q93-L96 PolarHBondContact O-N 3.4Å; Q93-L96 VanDerWaalsContact O-N 3.13Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 HydrophobicContact CB-CG2 4.44Å; L96-T98 PolarHBondContact O-N 2.87Å; L96-L252 HydrophobicContact CD2-CB 4.44Å; L96-L252 HydrophobicContact CD2-CD1 4.09Å; L96-L252 HydrophobicContact CD2-CD2 4.09Å; L96-L252 HydrophobicContact CD2-CG 4.44Å; L96-L252 HydrophobicContact CG-CD2 4.27Å |
| 97 | E | 62.9 | Low | 68.5 | Low | 157 Ų | 157 | 53.9 Ų | 53.9 | 73% | 0.734 | 28% | 0.279 | S | S | * | . | trans | -72.2 | 82.5 | 164 | -72.9 | -176.6 | -178.6 | 0 | 0 | 109.5 | P175 | E97-P175 HydrophobicContact CG-CG 4.17Š| ||
| 98 | T | 63.7 | Low | 69.7 | Low | 22 Ų | 22 | 54.6 Ų | 54.6 | 14% | 0.135 | 28% | 0.283 | C | S | . | . | trans | -66.9 | 169.3 | -179.6 | 81.7 | 0 | 0 | 0 | 0 | 112 | E87 Q93 L96 L100 T101 N102 | E87-T98 WeakPolarHBondContact OE2-CB 3.45Å; E87-T98 PolarHBondContact OE2-OG1 3.27Å; Q93-T98 HydrophobicContact CG-CG2 4.01Å; L96-T98 VanDerWaalsContact C-N 3.28Å; L96-T98 HydrophobicContact CB-CG2 4.44Å; L96-T98 PolarHBondContact O-N 2.87Å; T98-L100 PolarHBondContact O-N 2.76Å; T98-L100 PolarHBondContact OG1-N 3.11Å; T98-T101 PolarHBondContact N-OG1 3.06Å; T98-T101 PolarHBondContact O-N 2.92Å; T98-T101 VanDerWaalsContact O-N 3.12Å; T98-T101 PolarHBondContact O-OG1 3.47Å; T98-T101 PolarHBondContact OG1-N 2.9Å; T98-N102 PolarHBondContact O-ND2 3.04Å | ||
| 99 | T | 60.3 | Low | 71 | Confident | 103 Ų | 103 | 60.9 Ų | 60.9 | 63% | 0.632 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55 | -40.3 | 171.6 | 11.9 | 0 | 0 | 0 | 0 | 112.1 | E87 T101 N102 E103 | E87-T99 VanDerWaalsContact OE1-CB 3.28Å; E87-T99 WeakPolarHBondContact OE1-CB 3.22Å; E87-T99 PolarHBondContact OE1-OG1 3.38Å; T99-T101 VanDerWaalsContact C-N 3.32Å; T99-T101 PolarHBondContact O-N 3.18Å; T99-N102 PolarHBondContact O-N 3.42Å; T99-E103 PolarHBondContact O-N 2.94Å |
| 100 | L | 63.3 | Low | 72 | Confident | 2 Ų | 2 | 56.5 Ų | 56.5 | 1% | 0.01 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.6 | -35.1 | 177.1 | -159.6 | 62.9 | 0 | 0 | 0 | 113.1 | L80 R83 V84 E87 T98 N102 E103 I104 Y107 I173 | L80-L100 HydrophobicContact CD1-CD1 3.97Å; L80-L100 HydrophobicContact CD1-CD2 4.21Å; L80-L100 HydrophobicContact CD1-CG 4.27Å; R83-L100 HydrophobicContact CB-CD1 3.89Å; R83-L100 HydrophobicContact CB-CD2 4.13Å; V84-L100 HydrophobicContact CG2-CD2 3.73Å; E87-L100 PolarHBondContact OE1-N 3.19Å; E87-L100 VanDerWaalsContact OE1-N 3.13Å; E87-L100 VanDerWaalsContact OE2-CB 3.25Å; E87-L100 WeakPolarHBondContact OE2-CB 3.48Å; E87-L100 PolarHBondContact OE2-N 3.39Å; T98-L100 PolarHBondContact O-N 2.76Å; T98-L100 PolarHBondContact OG1-N 3.11Å; L100-N102 VanDerWaalsContact C-N 3.26Å; L100-N102 PolarHBondContact O-N 2.98Å; L100-E103 CarbonylContact O-C 3.59Å; L100-E103 WeakPolarHBondContact O-CA 3.12Å; L100-E103 PolarHBondContact O-N 3.01Å; L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.21Å; L100-Y107 HydrophobicContact CD1-CE2 4.2Å; L100-I173 HydrophobicContact CB-CG2 4.1Å; L100-I173 HydrophobicContact CD2-CD1 3.7Å; L100-I173 HydrophobicContact CD2-CG1 3.95Å; L100-I173 HydrophobicContact CD2-CG2 3.93Å; L100-I173 HydrophobicContact CG-CD1 4.25Å; L100-I173 HydrophobicContact CG-CG2 4Å |
| 101 | T | 65.9 | Low | 72.9 | Confident | 23 Ų | 23 | 56 Ų | 56 | 14% | 0.141 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.7 | -36.7 | 176.2 | 69.3 | 0 | 0 | 0 | 0 | 112.8 | T98 T99 E103 I173 P175 | T98-T101 PolarHBondContact N-OG1 3.06Å; T98-T101 PolarHBondContact O-N 2.92Å; T98-T101 VanDerWaalsContact O-N 3.12Å; T98-T101 PolarHBondContact O-OG1 3.47Å; T98-T101 PolarHBondContact OG1-N 2.9Å; T99-T101 VanDerWaalsContact C-N 3.32Å; T99-T101 PolarHBondContact O-N 3.18Å; T101-E103 VanDerWaalsContact C-N 3.35Å; T101-I173 HydrophobicContact CG2-CG2 4.2Å; T101-P175 HydrophobicContact CG2-CG 4.28Å |
| 102 | N | 65.6 | Low | 73.2 | Confident | 81 Ų | 81 | 59 Ų | 59 | 43% | 0.433 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -74.8 | -27.9 | 175.6 | -75.9 | -93.5 | 0 | 0 | 0 | 111.6 | T98 T99 L100 | T98-N102 PolarHBondContact O-ND2 3.04Å; T99-N102 PolarHBondContact O-N 3.42Å; L100-N102 VanDerWaalsContact C-N 3.26Å; L100-N102 PolarHBondContact O-N 2.98Å |
| 103 | E | 73.3 | Confident | 73.6 | Confident | 37 Ų | 37 | 60.2 Ų | 60.2 | 17% | 0.173 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -81.7 | -18.9 | 174.6 | -68.2 | -170.3 | 151.5 | 0 | 0 | 114.1 | R83 T99 L100 T101 Q105 H106 Y107 | R83-E103 IonicContact CZ-OE2 3.65Å; R83-E103 IonicContact NH1-OE1 3.92Å; R83-E103 PolarHBondContact NH1-OE1 3.43Å; R83-E103 IonicContact NH1-OE2 2.72Å; R83-E103 PolarHBondContact NH1-OE2 3.09Å; T99-E103 PolarHBondContact O-N 2.94Å; L100-E103 CarbonylContact O-C 3.59Å; L100-E103 WeakPolarHBondContact O-CA 3.12Å; L100-E103 PolarHBondContact O-N 3.01Å; T101-E103 VanDerWaalsContact C-N 3.35Å; E103-Q105 PolarHBondContact O-N 3.34Å; E103-Q105 VanDerWaalsContact O-N 3.16Å; E103-H106 WeakPolarHBondContact O-CA 3.42Å; E103-H106 WeakPolarHBondContact O-CB 3.47Å; E103-H106 PolarHBondContact O-N 3.41Å; E103-Y107 HydrophobicContact CB-CD2 4.03Å; E103-Y107 HydrophobicContact CB-CE2 4.1Å; E103-Y107 WeakPolarHBondContact O-CD2 3.47Å; E103-Y107 PolarHBondContact O-N 3.28Å |
| 104 | I | 74 | Confident | 74 | Confident | 21 Ų | 21 | 59 Ų | 59 | 11% | 0.108 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -48.1 | -48.1 | 178.2 | -70.7 | 173.2 | 0 | 0 | 0 | 110.4 | L100 H106 Y107 E108 I170 I173 | L100-I104 WeakPolarHBondContact O-CG1 3.48Å; L100-I104 PolarHBondContact O-N 3.21Å; I104-H106 PolarHBondContact O-N 2.95Å; I104-H106 VanDerWaalsContact O-N 3.14Å; I104-Y107 PolarHBondContact O-N 3.28Å; I104-Y107 VanDerWaalsContact O-N 3.13Å; I104-E108 HydrophobicContact CG2-CG 3.98Å; I104-E108 WeakPolarHBondContact O-CB 3.34Å; I104-E108 WeakPolarHBondContact O-CG 3.42Å; I104-E108 PolarHBondContact O-N 3.14Å; I104-I170 HydrophobicContact CG2-CD1 3.79Å; I104-I170 HydrophobicContact CG2-CG1 4.29Å; I104-I173 HydrophobicContact CD1-CB 4.05Å; I104-I173 HydrophobicContact CD1-CG2 3.77Å; I104-I173 HydrophobicContact CG1-CG2 4.14Å |
| 105 | Q | 75.5 | Confident | 74.2 | Confident | 116 Ų | 116 | 56.8 Ų | 56.8 | 54% | 0.542 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61.8 | -24.8 | 179.9 | -64.2 | -168.5 | 18.7 | 0 | 0 | 113.8 | E103 R109 | E103-Q105 PolarHBondContact O-N 3.34Å; E103-Q105 VanDerWaalsContact O-N 3.16Å; Q105-R109 WeakPolarHBondContact O-CB 3.43Å; Q105-R109 WeakPolarHBondContact O-CD 3.5Å; Q105-R109 WeakPolarHBondContact O-CG 3.26Å; Q105-R109 PolarHBondContact O-N 2.78Å; Q105-R109 PolarHBondContact O-NE 2.93Å; Q105-R109 VanDerWaalsContact O-NE 3.13Å |
| 106 | H | 79.4 | Confident | 74.4 | Confident | 53 Ų | 53 | 60.8 Ų | 60.8 | 25% | 0.245 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -82.3 | -42.9 | 174.9 | 162.9 | -107.8 | 0 | 0 | 0 | 110.9 | E103 I104 R109 R110 | E103-H106 WeakPolarHBondContact O-CA 3.42Å; E103-H106 WeakPolarHBondContact O-CB 3.47Å; E103-H106 PolarHBondContact O-N 3.41Å; I104-H106 PolarHBondContact O-N 2.95Å; I104-H106 VanDerWaalsContact O-N 3.14Å; H106-R109 PolarHBondContact O-N 3.01Å; H106-R110 PolarHBondContact CE1-NE 2.59Å; H106-R110 PolarHBondContact CE1-NH2 2.84Å; H106-R110 VanDerWaalsContact CE1-NH2 3.31Å; H106-R110 PolarHBondContact NE2-NE 3.21Å; H106-R110 PolarHBondContact NE2-NH2 3.3Å; H106-R110 WeakPolarHBondContact O-CG 3.25Å; H106-R110 PolarHBondContact O-N 2.89Å |
| 107 | Y | 80.2 | Confident | 74.9 | Confident | 11 Ų | 11 | 60.8 Ų | 60.8 | 4% | 0.043 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -59.3 | -46.5 | 171.4 | -83.4 | -88.3 | 0 | 0 | 0 | 111.7 | L76 L80 R83 L100 E103 I104 R109 R110 K111 W166 | L76-Y107 HydrophobicContact CD1-CD1 3.63Å; L76-Y107 HydrophobicContact CD1-CE1 3.76Å; L76-Y107 HydrophobicContact CG-CD1 4.08Å; L76-Y107 HydrophobicContact CG-CE1 4.46Å; L80-Y107 HydrophobicContact CB-CD1 4.18Å; L80-Y107 HydrophobicContact CB-CE1 4.03Å; L80-Y107 HydrophobicContact CD1-CD1 4Å; L80-Y107 HydrophobicContact CD1-CD2 4.14Å; L80-Y107 HydrophobicContact CD1-CE1 4.11Å; L80-Y107 HydrophobicContact CD1-CE2 4.27Å; L80-Y107 HydrophobicContact CD1-CG 4.03Å; L80-Y107 HydrophobicContact CG-CD1 4.48Å; R83-Y107 WeakPolarHBondContact CD-OH 3.15Å; R83-Y107 PolarHBondContact NE-OH 3.18Å; L100-Y107 HydrophobicContact CD1-CE2 4.2Å; E103-Y107 HydrophobicContact CB-CD2 4.03Å; E103-Y107 HydrophobicContact CB-CE2 4.1Å; E103-Y107 WeakPolarHBondContact O-CD2 3.47Å; E103-Y107 PolarHBondContact O-N 3.28Å; I104-Y107 PolarHBondContact O-N 3.28Å; I104-Y107 VanDerWaalsContact O-N 3.13Å; Y107-R109 PolarHBondContact O-N 2.81Å; Y107-R110 WeakPolarHBondContact O-CB 3.35Å; Y107-R110 PolarHBondContact O-N 3.25Å; Y107-R110 VanDerWaalsContact O-N 3.13Å; Y107-K111 PolarHBondContact O-N 3.39Å; Y107-W166 VanDerWaalsContact C-CZ2 3.49Å; Y107-W166 HydrophobicContact CD1-CH2 4.17Å; Y107-W166 WeakPolarHBondContact O-CH2 3.39Å; Y107-W166 WeakPolarHBondContact O-CZ2 3.38Å |
| 108 | E | 81.3 | Confident | 75.5 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 33% | 0.332 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 174.6 | -74.4 | -173.7 | 140.5 | 0 | 0 | 112.4 | I104 R110 K111 H112 I170 | I104-E108 HydrophobicContact CG2-CG 3.98Å; I104-E108 WeakPolarHBondContact O-CB 3.34Å; I104-E108 WeakPolarHBondContact O-CG 3.42Å; I104-E108 PolarHBondContact O-N 3.14Å; E108-R110 VanDerWaalsContact C-N 3.27Å; E108-R110 PolarHBondContact O-N 3.48Å; E108-K111 PolarHBondContact O-N 2.87Å; E108-H112 PolarHBondContact O-N 3.37Å; E108-H112 PolarHBondContact O-ND1 3.21Å; E108-I170 HydrophobicContact CG-CD1 3.73Å |
| 109 | R | 82.2 | Confident | 76 | Confident | 165 Ų | 165 | 53.9 Ų | 53.9 | 62% | 0.623 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -63.7 | -34.6 | 176.2 | -75.2 | 165.9 | -153.4 | 171.6 | 8.8 | 111.7 | Q105 H106 Y107 G113 | Q105-R109 WeakPolarHBondContact O-CB 3.43Å; Q105-R109 WeakPolarHBondContact O-CD 3.5Å; Q105-R109 WeakPolarHBondContact O-CG 3.26Å; Q105-R109 PolarHBondContact O-N 2.78Å; Q105-R109 PolarHBondContact O-NE 2.93Å; Q105-R109 VanDerWaalsContact O-NE 3.13Å; H106-R109 PolarHBondContact O-N 3.01Å; Y107-R109 PolarHBondContact O-N 2.81Å; R109-G113 PolarHBondContact O-N 2.92Å |
| 110 | R | 81.9 | Confident | 76.7 | Confident | 66 Ų | 66 | 51.3 Ų | 51.3 | 25% | 0.249 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -67 | -50.7 | 171.9 | -70.8 | -175.1 | 177.7 | -166.1 | -4.3 | 111.5 | L76 H106 Y107 E108 H112 G113 I114 Y1512 | L76-R110 HydrophobicContact CD1-CB 4.21Å; L76-R110 HydrophobicContact CD2-CB 3.57Å; H106-R110 PolarHBondContact CE1-NE 2.59Å; H106-R110 PolarHBondContact CE1-NH2 2.84Å; H106-R110 VanDerWaalsContact CE1-NH2 3.31Å; H106-R110 PolarHBondContact NE2-NE 3.21Å; H106-R110 PolarHBondContact NE2-NH2 3.3Å; H106-R110 WeakPolarHBondContact O-CG 3.25Å; H106-R110 PolarHBondContact O-N 2.89Å; Y107-R110 WeakPolarHBondContact O-CB 3.35Å; Y107-R110 PolarHBondContact O-N 3.25Å; Y107-R110 VanDerWaalsContact O-N 3.13Å; E108-R110 VanDerWaalsContact C-N 3.27Å; E108-R110 PolarHBondContact O-N 3.48Å; R110-H112 PolarHBondContact O-N 2.8Å; R110-G113 WeakPolarHBondContact O-CA 3.28Å; R110-G113 PolarHBondContact O-N 3.33Å; R110-I114 WeakPolarHBondContact O-CG1 3.43Å; R110-I114 PolarHBondContact O-N 2.98Å; R110-Y1512 HydrophobicContact CG-CD1 3.8Å; R110-Y1512 HydrophobicContact CG-CE1 3.7Å; R110-Y1512 VanDerWaalsContact NE-CD1 3.27Å |
| 111 | K | 83.9 | Confident | 77 | Confident | 10 Ų | 10 | 52 Ų | 52 | 4% | 0.043 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -50.4 | -54.2 | 173.8 | 174.3 | 173.8 | 70.4 | 169.2 | 0 | 111.2 | L73 Y107 E108 G113 I114 I115 W166 D167 | L73-K111 HydrophobicContact CD1-CB 4.49Å; L73-K111 HydrophobicContact CD1-CG 4.25Å; Y107-K111 PolarHBondContact O-N 3.39Å; E108-K111 PolarHBondContact O-N 2.87Å; K111-G113 VanDerWaalsContact C-N 3.28Å; K111-G113 PolarHBondContact O-N 3.01Å; K111-I114 PolarHBondContact O-N 2.7Å; K111-I115 HydrophobicContact CD-CD1 3.9Å; K111-I115 HydrophobicContact CG-CD1 3.52Å; K111-I115 HydrophobicContact CG-CG1 4.15Å; K111-I115 WeakPolarHBondContact O-CB 3.47Å; K111-I115 WeakPolarHBondContact O-CG1 3.43Å; K111-I115 PolarHBondContact O-N 3.46Å; K111-W166 HydrophobicContact CB-CD2 4.41Å; K111-W166 HydrophobicContact CB-CE3 4.42Å; K111-W166 HydrophobicContact CB-CH2 3.88Å; K111-W166 HydrophobicContact CB-CZ2 3.84Å; K111-W166 HydrophobicContact CB-CZ3 4.18Å; K111-W166 HydrophobicContact CD-CB 4.39Å; K111-W166 HydrophobicContact CD-CD2 3.6Å; K111-W166 HydrophobicContact CD-CE3 4.1Å; K111-W166 HydrophobicContact CD-CG 3.7Å; K111-W166 HydrophobicContact CD-CZ2 4.43Å; K111-W166 HydrophobicContact CG-CD2 4.46Å; K111-D167 IonicContact NZ-OD1 3.95Å; K111-D167 PolarHBondContact NZ-OD1 3.14Å; K111-D167 VanDerWaalsContact NZ-OD1 3.14Å |
| 112 | H | 82 | Confident | 77 | Confident | 105 Ų | 105 | 52.2 Ų | 52.2 | 49% | 0.486 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.6 | -32.3 | 179.6 | -71.9 | 90.2 | 0 | 0 | 0 | 112.4 | E108 R110 N116 | E108-H112 PolarHBondContact O-N 3.37Å; E108-H112 PolarHBondContact O-ND1 3.21Å; R110-H112 PolarHBondContact O-N 2.8Å; H112-N116 WeakPolarHBondContact O-CB 3.38Å; H112-N116 PolarHBondContact O-N 2.79Å; H112-N116 PolarHBondContact O-ND2 2.85Å |
| 113 | G | 80.8 | Confident | 76.9 | Confident | 35 Ų | 35 | 52.7 Ų | 52.7 | 36% | 0.361 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -47.8 | 172 | 0 | 0 | 0 | 0 | 0 | 113 | R109 R110 K111 S117 | R109-G113 PolarHBondContact O-N 2.92Å; R110-G113 WeakPolarHBondContact O-CA 3.28Å; R110-G113 PolarHBondContact O-N 3.33Å; K111-G113 VanDerWaalsContact C-N 3.28Å; K111-G113 PolarHBondContact O-N 3.01Å; G113-S117 WeakPolarHBondContact O-CB 3.37Å; G113-S117 PolarHBondContact O-N 3.37Å; G113-S117 PolarHBondContact O-OG 2.65Å |
| 114 | I | 80.1 | Confident | 76 | Confident | 18 Ų | 18 | 58.4 Ų | 58.4 | 9% | 0.092 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.3 | -50.8 | 179.5 | -62.3 | 164.4 | 0 | 0 | 0 | 110.8 | L69 D72 L73 L76 R110 K111 N116 S117 I118 | L69-I114 HydrophobicContact CB-CG2 4.19Å; L69-I114 HydrophobicContact CD2-CG2 4.28Å; L69-I114 WeakPolarHBondContact O-CG2 3.43Å; D72-I114 HydrophobicContact CB-CD1 4.3Å; L73-I114 HydrophobicContact CB-CG2 4.04Å; L73-I114 HydrophobicContact CD1-CD1 4.38Å; L76-I114 HydrophobicContact CD2-CD1 3.98Å; R110-I114 WeakPolarHBondContact O-CG1 3.43Å; R110-I114 PolarHBondContact O-N 2.98Å; K111-I114 PolarHBondContact O-N 2.7Å; I114-N116 PolarHBondContact O-N 2.69Å; I114-S117 WeakPolarHBondContact O-CA 3.47Å; I114-S117 WeakPolarHBondContact O-CB 3.38Å; I114-S117 PolarHBondContact O-N 3.06Å; I114-I118 HydrophobicContact CG2-CD1 4.02Å; I114-I118 WeakPolarHBondContact O-CG1 3.43Å; I114-I118 PolarHBondContact O-N 3.26Å |
| 115 | I | 78.8 | Confident | 74.8 | Confident | 37 Ų | 37 | 60.9 Ų | 60.9 | 19% | 0.19 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -59 | -45.1 | 177.9 | -67.2 | 179.5 | 0 | 0 | 0 | 111.1 | L73 K111 S117 I118 L119 L159 | L73-I115 HydrophobicContact CD2-CG1 4.34Å; K111-I115 HydrophobicContact CD-CD1 3.9Å; K111-I115 HydrophobicContact CG-CD1 3.52Å; K111-I115 HydrophobicContact CG-CG1 4.15Å; K111-I115 WeakPolarHBondContact O-CB 3.47Å; K111-I115 WeakPolarHBondContact O-CG1 3.43Å; K111-I115 PolarHBondContact O-N 3.46Å; I115-S117 PolarHBondContact O-N 3.06Å; I115-I118 PolarHBondContact O-N 2.86Å; I115-L119 HydrophobicContact CG2-CD1 3.87Å; I115-L119 HydrophobicContact CG2-CG 4.25Å; I115-L119 WeakPolarHBondContact O-CB 3.37Å; I115-L119 WeakPolarHBondContact O-CG 3.45Å; I115-L119 PolarHBondContact O-N 3.49Å; I115-L159 HydrophobicContact CG1-CD2 4.42Å |
| 116 | N | 78.7 | Confident | 73.1 | Confident | 96 Ų | 96 | 58.7 Ų | 58.7 | 51% | 0.513 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -64.1 | -28 | 175 | -73.5 | -37.3 | 0 | 0 | 0 | 112.4 | H112 I114 S120 | H112-N116 WeakPolarHBondContact O-CB 3.38Å; H112-N116 PolarHBondContact O-N 2.79Å; H112-N116 PolarHBondContact O-ND2 2.85Å; I114-N116 PolarHBondContact O-N 2.69Å; N116-S120 WeakPolarHBondContact O-CB 3.35Å; N116-S120 PolarHBondContact O-N 3.12Å; N116-S120 PolarHBondContact O-OG 3.42Å |
| 117 | S | 78.5 | Confident | 71.2 | Confident | 48 Ų | 48 | 60.9 Ų | 60.9 | 34% | 0.336 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -72.9 | -43.5 | 176.7 | -58.5 | 0 | 0 | 0 | 0 | 110.8 | G113 I114 I115 S120 T121 | G113-S117 WeakPolarHBondContact O-CB 3.37Å; G113-S117 PolarHBondContact O-N 3.37Å; G113-S117 PolarHBondContact O-OG 2.65Å; I114-S117 WeakPolarHBondContact O-CA 3.47Å; I114-S117 WeakPolarHBondContact O-CB 3.38Å; I114-S117 PolarHBondContact O-N 3.06Å; I115-S117 PolarHBondContact O-N 3.06Å; S117-S120 PolarHBondContact O-N 2.96Å; S117-S120 PolarHBondContact O-OG 3.31Å; S117-T121 WeakPolarHBondContact O-CB 3.34Å; S117-T121 PolarHBondContact O-N 3.31Å; S117-T121 VanDerWaalsContact O-N 3.13Å; S117-T121 PolarHBondContact O-OG1 3.1Å |
| 118 | I | 76.2 | Confident | 69.1 | Low | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -62.2 | -50.6 | 173.5 | -61.6 | 168 | 0 | 0 | 0 | 110.1 | L69 L70 I114 I115 S120 T121 L122 L155 L159 | L69-I118 HydrophobicContact CB-CD1 3.87Å; L69-I118 HydrophobicContact CB-CG1 3.49Å; L69-I118 VanDerWaalsContact CB-CG1 3.49Å; L69-I118 HydrophobicContact CD1-CG1 3.86Å; L69-I118 HydrophobicContact CG-CG1 4.29Å; L70-I118 HydrophobicContact CD2-CD1 4.07Å; L70-I118 HydrophobicContact CG-CD1 4.25Å; I114-I118 HydrophobicContact CG2-CD1 4.02Å; I114-I118 WeakPolarHBondContact O-CG1 3.43Å; I114-I118 PolarHBondContact O-N 3.26Å; I115-I118 PolarHBondContact O-N 2.86Å; I118-S120 PolarHBondContact O-N 3.27Å; I118-T121 WeakPolarHBondContact O-CA 3.4Å; I118-T121 WeakPolarHBondContact O-CB 3.44Å; I118-T121 PolarHBondContact O-N 3.1Å; I118-L122 HydrophobicContact CG2-CD1 4.02Å; I118-L122 PolarHBondContact O-N 3.36Å; I118-L155 HydrophobicContact CG2-CD2 3.8Å; I118-L159 HydrophobicContact CD1-CD2 3.96Å; I118-L159 HydrophobicContact CG2-CD1 4.07Å |
| 119 | L | 74.6 | Confident | 67.1 | Low | 33 Ų | 33 | 67.4 Ų | 67.4 | 17% | 0.173 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -57.8 | -45.4 | 175.4 | -70.1 | 174.4 | 0 | 0 | 0 | 111.7 | I115 T121 L122 D123 | I115-L119 HydrophobicContact CG2-CD1 3.87Å; I115-L119 HydrophobicContact CG2-CG 4.25Å; I115-L119 WeakPolarHBondContact O-CB 3.37Å; I115-L119 WeakPolarHBondContact O-CG 3.45Å; I115-L119 PolarHBondContact O-N 3.49Å; L119-T121 PolarHBondContact O-N 3.11Å; L119-L122 PolarHBondContact O-N 3.32Å; L119-L122 VanDerWaalsContact O-N 3.15Å; L119-D123 WeakPolarHBondContact O-CB 3.42Å; L119-D123 PolarHBondContact O-N 2.94Å |
| 120 | S | 74.4 | Confident | 65.2 | Low | 50 Ų | 50 | 63 Ų | 63 | 35% | 0.35 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -67.4 | -7.7 | 176 | 81.1 | 0 | 0 | 0 | 0 | 114.5 | N116 S117 I118 K124 | N116-S120 WeakPolarHBondContact O-CB 3.35Å; N116-S120 PolarHBondContact O-N 3.12Å; N116-S120 PolarHBondContact O-OG 3.42Å; S117-S120 PolarHBondContact O-N 2.96Å; S117-S120 PolarHBondContact O-OG 3.31Å; I118-S120 PolarHBondContact O-N 3.27Å; S120-K124 WeakPolarHBondContact O-CD 3.42Å; S120-K124 VanDerWaalsContact O-CE 3.28Å; S120-K124 WeakPolarHBondContact O-CE 3.41Å; S120-K124 WeakPolarHBondContact O-CG 3.48Å; S120-K124 PolarHBondContact O-NZ 2.75Å |
| 121 | T | 70.7 | Confident | 63.2 | Low | 17 Ų | 17 | 65 Ų | 65 | 10% | 0.104 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -99.4 | -32 | 176 | -56.1 | 0 | 0 | 0 | 0 | 110.4 | S62 C66 S117 I118 L119 K124 | S62-T121 VanDerWaalsContact O-CG2 3.31Å; S62-T121 WeakPolarHBondContact O-CG2 3.36Å; C66-T121 VanDerWaalsContact SG-CG2 3.6Å; S117-T121 WeakPolarHBondContact O-CB 3.34Å; S117-T121 PolarHBondContact O-N 3.31Å; S117-T121 VanDerWaalsContact O-N 3.13Å; S117-T121 PolarHBondContact O-OG1 3.1Å; I118-T121 WeakPolarHBondContact O-CA 3.4Å; I118-T121 WeakPolarHBondContact O-CB 3.44Å; I118-T121 PolarHBondContact O-N 3.1Å; L119-T121 PolarHBondContact O-N 3.11Å; T121-K124 PolarHBondContact O-N 3.43Å |
| 122 | L | 65.1 | Low | 61.2 | Low | 27 Ų | 27 | 68.9 Ų | 68.9 | 14% | 0.141 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -71.2 | -41.4 | 167.3 | -66.6 | 166.4 | 0 | 0 | 0 | 112.6 | I118 L119 K124 S125 Q126 | I118-L122 HydrophobicContact CG2-CD1 4.02Å; I118-L122 PolarHBondContact O-N 3.36Å; L119-L122 PolarHBondContact O-N 3.32Å; L119-L122 VanDerWaalsContact O-N 3.15Å; L122-K124 PolarHBondContact O-N 2.78Å; L122-S125 PolarHBondContact O-N 3.29Å; L122-S125 PolarHBondContact O-OG 3.29Å; L122-Q126 PolarHBondContact O-N 3.34Å |
| 123 | D | 62.5 | Low | 59.4 | Low | 91 Ų | 91 | 70.6 Ų | 70.6 | 49% | 0.487 | 42% | 0.418 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -10.5 | 173.3 | -83.7 | -25.7 | 0 | 0 | 0 | 113.3 | L119 | L119-D123 WeakPolarHBondContact O-CB 3.42Å; L119-D123 PolarHBondContact O-N 2.94Å |
| 124 | K | 56 | Low | 57.7 | Low | 157 Ų | 157 | 72.3 Ų | 72.3 | 68% | 0.683 | 42% | 0.418 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.8 | -15.6 | 171.1 | -69.4 | 175.9 | -169.4 | 112.1 | 0 | 113 | S120 T121 L122 | S120-K124 WeakPolarHBondContact O-CD 3.42Å; S120-K124 VanDerWaalsContact O-CE 3.28Å; S120-K124 WeakPolarHBondContact O-CE 3.41Å; S120-K124 WeakPolarHBondContact O-CG 3.48Å; S120-K124 PolarHBondContact O-NZ 2.75Å; T121-K124 PolarHBondContact O-N 3.43Å; L122-K124 PolarHBondContact O-N 2.78Å |
| 125 | S | 48.5 | Very low | 56.2 | Low | 72 Ų | 72 | 82.4 Ų | 82.4 | 50% | 0.503 | 46% | 0.455 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -109 | -16.4 | 177.9 | 61.5 | 0 | 0 | 0 | 0 | 113.6 | L122 | L122-S125 PolarHBondContact O-N 3.29Å; L122-S125 PolarHBondContact O-OG 3.29Å |
| 126 | Q | 40.3 | Very low | 54.4 | Low | 70 Ų | 70 | 87.1 Ų | 87.1 | 33% | 0.327 | 48% | 0.481 | S | S | . | . | S | Bend | trans | -124.9 | 147.8 | 173.4 | -61.4 | -162 | -31.7 | 0 | 0 | 112.1 | L122 D149 | L122-Q126 PolarHBondContact O-N 3.34Å; Q126-D149 PolarHBondContact NE2-OD1 3.23Å |
| 127 | S | 37.8 | Very low | 52.5 | Low | 99 Ų | 99 | 87.7 Ų | 87.7 | 69% | 0.692 | 48% | 0.479 | S | S | * | . | P | Polyproline II helix | trans | -63 | 141 | 175.1 | 52.8 | 0 | 0 | 0 | 0 | 111 | L129 | S127-L129 PolarHBondContact O-N 3.43Š|
| 128 | P | 37.3 | Very low | 50.5 | Low | 115 Ų | 115 | 89.6 Ų | 89.6 | 75% | 0.747 | 49% | 0.492 | S | S | * | . | P | Polyproline II helix | trans | -61.5 | 118 | -161 | 23.5 | -35.4 | 0 | 0 | 0 | 113.2 | ||
| 129 | L | 39.7 | Very low | 48.5 | Very low | 104 Ų | 104 | 96.3 Ų | 96.3 | 55% | 0.545 | 53% | 0.533 | S | S | . | . | P | Polyproline II helix | trans | -71.5 | 147.6 | 169.5 | -95.8 | 72.7 | 0 | 0 | 0 | 110.6 | S127 S131 | S127-L129 PolarHBondContact O-N 3.43Å; L129-S131 PolarHBondContact O-N 3.12Å |
| 130 | P | 41.4 | Very low | 46.5 | Very low | 74 Ų | 74 | 99 Ų | 99 | 48% | 0.481 | 56% | 0.56 | S | S | . | * | P | Polyproline II helix | trans | -67.6 | 121.8 | 179.5 | 27.7 | -33.8 | 0 | 0 | 0 | 111.2 | S132 E133 | P130-S132 PolarHBondContact O-N 3.25Å; P130-E133 PolarHBondContact O-N 3.43Å |
| 131 | S | 39 | Very low | 44.8 | Very low | 107 Ų | 107 | 101.3 Ų | 101.3 | 75% | 0.748 | 58% | 0.576 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.3 | 6.7 | -175.2 | 54.7 | 0 | 0 | 0 | 0 | 116 | L129 | L129-S131 PolarHBondContact O-N 3.12Š|
| 132 | S | 43.2 | Very low | 43.2 | Very low | 91 Ų | 91 | 107.9 Ų | 107.9 | 64% | 0.636 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79 | -26.9 | 172.6 | 44.9 | 0 | 0 | 0 | 0 | 114.2 | P130 | P130-S132 PolarHBondContact O-N 3.25Š|
| 133 | E | 44.6 | Very low | 42 | Very low | 142 Ų | 142 | 113.7 Ų | 113.7 | 66% | 0.664 | 64% | 0.641 | S | S | * | * | S | Bend | trans | -92.9 | -23.4 | -170.6 | -63.2 | -176.1 | 154.9 | 0 | 0 | 113.3 | P130 R135 N136 | P130-E133 PolarHBondContact O-N 3.43Å; E133-R135 PolarHBondContact O-N 3.22Å; E133-N136 PolarHBondContact O-N 2.88Å |
| 134 | L | 44.9 | Very low | 40.8 | Very low | 71 Ų | 71 | 116.7 Ų | 116.7 | 37% | 0.372 | 66% | 0.655 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -61.6 | 4 | -178.6 | -63.7 | 172.7 | 0 | 0 | 0 | 116.1 | F137 | L134-F137 HydrophobicContact CB-CE2 4.24Å; L134-F137 HydrophobicContact CD2-CE2 3.75Å; L134-F137 HydrophobicContact CD2-CZ 3.56Å |
| 135 | R | 48 | Very low | 39.7 | Very low | 229 Ų | 229 | 113.9 Ų | 113.9 | 86% | 0.864 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.7 | -18.9 | 178.8 | -81.6 | -169.3 | 172.6 | -147.3 | -3.4 | 114.8 | E133 | E133-R135 PolarHBondContact O-N 3.22Š|
| 136 | N | 40.4 | Very low | 39.6 | Very low | 136 Ų | 136 | 115.4 Ų | 115.4 | 73% | 0.727 | 66% | 0.658 | S | S | * | * | trans | -122.4 | 65.5 | -175.4 | -68.2 | 2.9 | 0 | 0 | 0 | 111 | E133 S138 | E133-N136 PolarHBondContact O-N 2.88Å; N136-S138 PolarHBondContact O-N 3.13Å | ||
| 137 | F | 40 | Very low | 39.9 | Very low | 108 Ų | 108 | 119.3 Ų | 119.3 | 47% | 0.474 | 68% | 0.676 | S | S | . | * | trans | -73.3 | 72.6 | 167.5 | -79.4 | -72.7 | 0 | 0 | 0 | 110.6 | L134 L156 | L134-F137 HydrophobicContact CB-CE2 4.24Å; L134-F137 HydrophobicContact CD2-CE2 3.75Å; L134-F137 HydrophobicContact CD2-CZ 3.56Å; F137-L156 HydrophobicContact CE1-CD2 3.87Å; F137-L156 HydrophobicContact CZ-CD2 4.06Å | ||
| 138 | S | 36.6 | Very low | 40.4 | Very low | 89 Ų | 89 | 121.1 Ų | 121.1 | 62% | 0.622 | 68% | 0.678 | S | S | * | * | trans | -128.3 | 98 | 173.3 | 62.7 | 0 | 0 | 0 | 0 | 110.2 | N136 | N136-S138 PolarHBondContact O-N 3.13Š| ||
| 139 | V | 33.1 | Very low | 41.2 | Very low | 141 Ų | 141 | 117.8 Ų | 117.8 | 86% | 0.855 | 65% | 0.654 | S | S | * | * | trans | 35 | 90.4 | 157.9 | -168.4 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 140 | A | 33.8 | Very low | 42.3 | Very low | 89 Ų | 89 | 118.9 Ų | 118.9 | 74% | 0.736 | 65% | 0.654 | S | S | * | * | trans | -144.8 | 66.9 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.3 | D142 | A140-D142 PolarHBondContact O-N 2.99Å; A140-D142 VanDerWaalsContact O-N 3.13Å | ||
| 141 | S | 37.5 | Very low | 43.1 | Very low | 98 Ų | 98 | 117.9 Ų | 117.9 | 69% | 0.685 | 64% | 0.642 | S | S | * | * | trans | -75.9 | 6.1 | -166.4 | -49 | 0 | 0 | 0 | 0 | 116 | ||||
| 142 | D | 37.8 | Very low | 44.3 | Very low | 155 Ų | 155 | 113.6 Ų | 113.6 | 83% | 0.829 | 61% | 0.612 | S | S | * | * | trans | -100.3 | 10.7 | -158.8 | -62.5 | -28.3 | 0 | 0 | 0 | 115.2 | A140 | A140-D142 PolarHBondContact O-N 2.99Å; A140-D142 VanDerWaalsContact O-N 3.13Å | ||
| 143 | L | 39.4 | Very low | 45.5 | Very low | 149 Ų | 149 | 112.4 Ų | 112.4 | 78% | 0.78 | 60% | 0.604 | S | S | * | * | trans | -128.1 | 113.6 | -172.7 | -80.2 | 171 | 0 | 0 | 0 | 115.8 | ||||
| 144 | I | 37.5 | Very low | 46.8 | Very low | 154 Ų | 154 | 108.9 Ų | 108.9 | 79% | 0.79 | 59% | 0.589 | S | S | * | * | trans | 85.9 | 150.6 | 150.7 | -57 | 164.5 | 0 | 0 | 0 | 115.5 | ||||
| 145 | S | 33.3 | Very low | 48.1 | Very low | 99 Ų | 99 | 105.7 Ų | 105.7 | 69% | 0.692 | 57% | 0.572 | S | S | * | * | trans | -137.1 | 118.1 | -155.7 | -176.2 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 146 | N | 46.4 | Very low | 49.4 | Very low | 104 Ų | 104 | 97.6 Ų | 97.6 | 56% | 0.556 | 55% | 0.546 | S | S | * | . | trans | -150.1 | 164.6 | 148.2 | -66.5 | -72.3 | 0 | 0 | 0 | 108.6 | L148 D149 K150 | N146-L148 VanDerWaalsContact C-N 3.35Å; N146-L148 PolarHBondContact O-N 2.75Å; N146-D149 HydrophobicContact CB-CB 4.43Å; N146-D149 WeakPolarHBondContact CB-OD2 3.41Å; N146-D149 PolarHBondContact ND2-OD2 3.11Å; N146-D149 PolarHBondContact O-N 3.49Å; N146-K150 PolarHBondContact O-N 2.82Å | ||
| 147 | E | 46.3 | Very low | 51.1 | Low | 151 Ų | 151 | 95.2 Ų | 95.2 | 71% | 0.706 | 53% | 0.533 | S | S | * | . | H | α-helix | trans | -73.4 | -25 | 179.2 | -61.9 | -165.2 | 117.7 | 0 | 0 | 113.9 | ||
| 148 | L | 47.1 | Very low | 52.8 | Low | 138 Ų | 138 | 91.7 Ų | 91.7 | 72% | 0.723 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -67.7 | -38.6 | 168.1 | -122 | 72.3 | 0 | 0 | 0 | 111.4 | N146 K150 K151 S152 | N146-L148 VanDerWaalsContact C-N 3.35Å; N146-L148 PolarHBondContact O-N 2.75Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 3.31Å; L148-K151 PolarHBondContact O-N 3.38Å; L148-K151 VanDerWaalsContact O-N 3.12Å; L148-S152 PolarHBondContact O-N 3.12Å |
| 149 | D | 55.7 | Low | 54.8 | Low | 45 Ų | 45 | 88.2 Ų | 88.2 | 24% | 0.241 | 49% | 0.493 | C | S | . | . | H | α-helix | trans | -70.5 | -21.6 | 180 | -64.9 | -45.9 | 0 | 0 | 0 | 112.6 | Q126 N146 K151 S152 S153 | Q126-D149 PolarHBondContact NE2-OD1 3.23Å; N146-D149 HydrophobicContact CB-CB 4.43Å; N146-D149 WeakPolarHBondContact CB-OD2 3.41Å; N146-D149 PolarHBondContact ND2-OD2 3.11Å; N146-D149 PolarHBondContact O-N 3.49Å; D149-K151 VanDerWaalsContact C-N 3.31Å; D149-K151 PolarHBondContact O-N 3.02Å; D149-S152 WeakPolarHBondContact CA-OG 3.43Å; D149-S152 PolarHBondContact O-OG 2.92Å; D149-S153 WeakPolarHBondContact O-CB 3.41Å; D149-S153 PolarHBondContact O-N 3.39Å |
| 150 | K | 62 | Low | 57 | Low | 126 Ų | 126 | 82.8 Ų | 82.8 | 55% | 0.548 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.8 | -39.6 | 168.1 | -72.9 | -177.8 | 178.6 | 171.4 | 0 | 112.1 | N146 L148 N154 | N146-K150 PolarHBondContact O-N 2.82Å; L148-K150 VanDerWaalsContact C-N 3.28Å; L148-K150 PolarHBondContact O-N 3.31Å; K150-N154 WeakPolarHBondContact O-CB 3.36Å; K150-N154 PolarHBondContact O-N 2.9Å; K150-N154 PolarHBondContact O-OD1 2.79Å |
| 151 | K | 57.8 | Low | 59.2 | Low | 54 Ų | 54 | 83.7 Ų | 83.7 | 24% | 0.235 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -72.2 | -39.4 | -177.9 | -68 | -169.3 | 177.2 | -174.6 | 0 | 111.9 | N33 F63 L148 D149 L155 | N33-K151 WeakPolarHBondContact OD1-CE 3.3Å; F63-K151 HydrophobicContact CE2-CB 4.38Å; L148-K151 PolarHBondContact O-N 3.38Å; L148-K151 VanDerWaalsContact O-N 3.12Å; D149-K151 VanDerWaalsContact C-N 3.31Å; D149-K151 PolarHBondContact O-N 3.02Å; K151-L155 WeakPolarHBondContact O-CB 3.43Å; K151-L155 PolarHBondContact O-N 2.76Å |
| 152 | S | 64.6 | Low | 61.1 | Low | 16 Ų | 16 | 80 Ų | 80 | 11% | 0.112 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -71.2 | -39.5 | 172.4 | 54.4 | 0 | 0 | 0 | 0 | 112.1 | L148 D149 L155 L156 | L148-S152 PolarHBondContact O-N 3.12Å; D149-S152 WeakPolarHBondContact CA-OG 3.43Å; D149-S152 PolarHBondContact O-OG 2.92Å; S152-L155 PolarHBondContact O-N 3.09Å; S152-L156 WeakPolarHBondContact O-CB 3.47Å; S152-L156 VanDerWaalsContact O-CG 3.3Å; S152-L156 WeakPolarHBondContact O-CG 3.12Å; S152-L156 PolarHBondContact O-N 2.64Å |
| 153 | S | 67.8 | Low | 63.1 | Low | 67 Ų | 67 | 75.3 Ų | 75.3 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -60.5 | -48.6 | 176.9 | -176.5 | 0 | 0 | 0 | 0 | 112.5 | D149 L155 L156 L157 | D149-S153 WeakPolarHBondContact O-CB 3.41Å; D149-S153 PolarHBondContact O-N 3.39Å; S153-L155 VanDerWaalsContact C-N 3.29Å; S153-L155 PolarHBondContact O-N 2.79Å; S153-L156 PolarHBondContact O-N 3.08Å; S153-L157 WeakPolarHBondContact O-CB 3.33Å; S153-L157 PolarHBondContact O-N 3.4Å |
| 154 | N | 72.3 | Confident | 65.1 | Low | 68 Ų | 68 | 74 Ų | 74 | 36% | 0.364 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -60.4 | -39 | 175.5 | -73.4 | 8.5 | 0 | 0 | 0 | 112 | F29 K150 L157 I158 | F29-N154 HydrophobicContact CD2-CB 4.34Å; F29-N154 HydrophobicContact CE2-CB 3.72Å; K150-N154 WeakPolarHBondContact O-CB 3.36Å; K150-N154 PolarHBondContact O-N 2.9Å; K150-N154 PolarHBondContact O-OD1 2.79Å; N154-L157 PolarHBondContact O-N 3.1Å; N154-I158 WeakPolarHBondContact O-CG1 3.43Å; N154-I158 PolarHBondContact O-N 3.2Å |
| 155 | L | 73.4 | Confident | 67 | Low | 3 Ų | 3 | 68 Ų | 68 | 2% | 0.016 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -67.9 | -39.9 | 178.4 | -148.6 | 165 | 0 | 0 | 0 | 111.5 | F63 C66 L70 I118 K151 S152 S153 L157 L159 | F63-L155 HydrophobicContact CE2-CD1 4.33Å; C66-L155 HydrophobicContact CB-CD1 3.9Å; L70-L155 HydrophobicContact CD1-CD2 3.91Å; L70-L155 HydrophobicContact CD1-CG 4.02Å; L70-L155 HydrophobicContact CD2-CD2 4.49Å; L70-L155 HydrophobicContact CG-CD2 4.46Å; I118-L155 HydrophobicContact CG2-CD2 3.8Å; K151-L155 WeakPolarHBondContact O-CB 3.43Å; K151-L155 PolarHBondContact O-N 2.76Å; S152-L155 PolarHBondContact O-N 3.09Å; S153-L155 VanDerWaalsContact C-N 3.29Å; S153-L155 PolarHBondContact O-N 2.79Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L155-L159 HydrophobicContact CD2-CD1 3.76Å; L155-L159 HydrophobicContact CD2-CG 4.15Å; L155-L159 WeakPolarHBondContact O-CB 3.32Å; L155-L159 VanDerWaalsContact O-CG 3.3Å; L155-L159 WeakPolarHBondContact O-CG 3.31Å; L155-L159 PolarHBondContact O-N 3.26Å |
| 156 | L | 74.3 | Confident | 69.3 | Low | 59 Ų | 59 | 63.4 Ų | 63.4 | 31% | 0.309 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -66.9 | -32.7 | 173 | -71.4 | 172.4 | 0 | 0 | 0 | 112.6 | F137 S152 S153 L159 G160 | F137-L156 HydrophobicContact CE1-CD2 3.87Å; F137-L156 HydrophobicContact CZ-CD2 4.06Å; S152-L156 WeakPolarHBondContact O-CB 3.47Å; S152-L156 VanDerWaalsContact O-CG 3.3Å; S152-L156 WeakPolarHBondContact O-CG 3.12Å; S152-L156 PolarHBondContact O-N 2.64Å; S153-L156 PolarHBondContact O-N 3.08Å; L156-L159 HydrophobicContact CD2-CD1 4.33Å; L156-G160 PolarHBondContact O-N 2.92Å |
| 157 | L | 77 | Confident | 70.9 | Confident | 87 Ų | 87 | 61.7 Ų | 61.7 | 46% | 0.455 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.5 | -49.2 | 174.9 | -168.5 | 154.5 | 0 | 0 | 0 | 110.8 | S153 N154 L155 L159 G160 E161 | S153-L157 WeakPolarHBondContact O-CB 3.33Å; S153-L157 PolarHBondContact O-N 3.4Å; N154-L157 PolarHBondContact O-N 3.1Å; L155-L157 VanDerWaalsContact C-N 3.34Å; L157-L159 VanDerWaalsContact C-N 3.3Å; L157-L159 PolarHBondContact O-N 3.18Å; L157-G160 WeakPolarHBondContact O-CA 3.44Å; L157-G160 PolarHBondContact O-N 3.43Å; L157-E161 HydrophobicContact CD2-CG 4.26Å; L157-E161 PolarHBondContact O-N 2.82Å |
| 158 | I | 75.9 | Confident | 72.5 | Confident | 33 Ų | 33 | 57.9 Ų | 57.9 | 17% | 0.169 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.7 | -41.4 | 174.3 | -66.7 | 164.4 | 0 | 0 | 0 | 111 | F29 L70 N154 G160 E161 L162 | F29-I158 HydrophobicContact CB-CD1 4.47Å; F29-I158 HydrophobicContact CD1-CD1 4.41Å; F29-I158 HydrophobicContact CD2-CD1 4.1Å; F29-I158 HydrophobicContact CE2-CD1 4.43Å; F29-I158 HydrophobicContact CG-CD1 4.07Å; L70-I158 HydrophobicContact CD1-CG2 4.48Å; L70-I158 HydrophobicContact CD2-CG2 4.18Å; N154-I158 WeakPolarHBondContact O-CG1 3.43Å; N154-I158 PolarHBondContact O-N 3.2Å; I158-G160 VanDerWaalsContact C-N 3.31Å; I158-G160 PolarHBondContact O-N 3.04Å; I158-E161 PolarHBondContact O-N 2.76Å; I158-L162 HydrophobicContact CG2-CD1 3.97Å; I158-L162 WeakPolarHBondContact O-CB 3.2Å; I158-L162 WeakPolarHBondContact O-CG 3.3Å; I158-L162 PolarHBondContact O-N 3.17Å |
| 159 | L | 77.4 | Confident | 73.9 | Confident | 17 Ų | 17 | 51.6 Ų | 51.6 | 9% | 0.089 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.8 | -35.6 | 173.3 | -77.9 | 168.6 | 0 | 0 | 0 | 112.9 | L70 L73 I115 I118 L155 L156 L157 Q163 | L70-L159 HydrophobicContact CD2-CD2 3.93Å; L70-L159 HydrophobicContact CD2-CG 4.24Å; L73-L159 HydrophobicContact CD2-CD2 4.07Å; I115-L159 HydrophobicContact CG1-CD2 4.42Å; I118-L159 HydrophobicContact CD1-CD2 3.96Å; I118-L159 HydrophobicContact CG2-CD1 4.07Å; L155-L159 HydrophobicContact CD2-CD1 3.76Å; L155-L159 HydrophobicContact CD2-CG 4.15Å; L155-L159 WeakPolarHBondContact O-CB 3.32Å; L155-L159 VanDerWaalsContact O-CG 3.3Å; L155-L159 WeakPolarHBondContact O-CG 3.31Å; L155-L159 PolarHBondContact O-N 3.26Å; L156-L159 HydrophobicContact CD2-CD1 4.33Å; L157-L159 VanDerWaalsContact C-N 3.3Å; L157-L159 PolarHBondContact O-N 3.18Å; L159-Q163 WeakPolarHBondContact O-CB 3.37Å; L159-Q163 PolarHBondContact O-N 3.34Å |
| 160 | G | 79.3 | Confident | 75 | Confident | 26 Ų | 26 | 50.6 Ų | 50.6 | 27% | 0.268 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -66.5 | -44.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | L156 L157 I158 Q163 Q164 | L156-G160 PolarHBondContact O-N 2.92Å; L157-G160 WeakPolarHBondContact O-CA 3.44Å; L157-G160 PolarHBondContact O-N 3.43Å; I158-G160 VanDerWaalsContact C-N 3.31Å; I158-G160 PolarHBondContact O-N 3.04Å; G160-Q163 PolarHBondContact O-N 3.28Å; G160-Q164 PolarHBondContact O-N 3.39Å |
| 161 | E | 79.7 | Confident | 75.7 | Confident | 109 Ų | 109 | 52.5 Ų | 52.5 | 51% | 0.509 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -63.4 | -49.3 | 176.6 | -67.9 | 179.5 | 160.1 | 0 | 0 | 111.3 | L157 I158 Q163 Q164 E165 | L157-E161 HydrophobicContact CD2-CG 4.26Å; L157-E161 PolarHBondContact O-N 2.82Å; I158-E161 PolarHBondContact O-N 2.76Å; E161-Q163 VanDerWaalsContact C-N 3.26Å; E161-Q163 PolarHBondContact O-N 3.34Å; E161-Q164 PolarHBondContact O-N 2.58Å; E161-E165 PolarHBondContact O-N 2.92Å |
| 162 | L | 78.7 | Confident | 76.4 | Confident | 20 Ų | 20 | 57.1 Ų | 57.1 | 11% | 0.105 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -60.7 | -34.4 | 174.9 | -71.1 | 171.4 | 0 | 0 | 0 | 112.4 | L70 L73 L77 I158 W166 | L70-L162 HydrophobicContact CD2-CD1 4.1Å; L73-L162 HydrophobicContact CD2-CB 4.43Å; L73-L162 HydrophobicContact CD2-CD1 3.98Å; L73-L162 HydrophobicContact CG-CD1 4.32Å; L77-L162 HydrophobicContact CD2-CD2 3.96Å; I158-L162 HydrophobicContact CG2-CD1 3.97Å; I158-L162 WeakPolarHBondContact O-CB 3.2Å; I158-L162 WeakPolarHBondContact O-CG 3.3Å; I158-L162 PolarHBondContact O-N 3.17Å; L162-W166 WeakPolarHBondContact O-CB 3.46Å; L162-W166 PolarHBondContact O-N 3.39Å |
| 163 | Q | 79.7 | Confident | 76.7 | Confident | 56 Ų | 56 | 57.2 Ų | 57.2 | 26% | 0.262 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -69.4 | -40 | 175.7 | 174.5 | 53.5 | 33.7 | 0 | 0 | 112.1 | L159 G160 E161 D167 | L159-Q163 WeakPolarHBondContact O-CB 3.37Å; L159-Q163 PolarHBondContact O-N 3.34Å; G160-Q163 PolarHBondContact O-N 3.28Å; E161-Q163 VanDerWaalsContact C-N 3.26Å; E161-Q163 PolarHBondContact O-N 3.34Å; Q163-D167 PolarHBondContact NE2-OD1 2.97Å; Q163-D167 PolarHBondContact NE2-OD2 2.8Å; Q163-D167 PolarHBondContact O-N 3.07Å; Q163-D167 VanDerWaalsContact O-N 3.17Å |
| 164 | Q | 80.6 | Confident | 76.7 | Confident | 122 Ų | 122 | 57.6 Ų | 57.6 | 57% | 0.57 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -64.5 | -50 | 174.7 | -179.9 | 179.6 | -29.3 | 0 | 0 | 111.2 | G160 E161 W166 D167 E168 | G160-Q164 PolarHBondContact O-N 3.39Å; E161-Q164 PolarHBondContact O-N 2.58Å; Q164-W166 VanDerWaalsContact C-N 3.3Å; Q164-W166 PolarHBondContact O-N 3.45Å; Q164-D167 PolarHBondContact O-N 2.8Å; Q164-D167 VanDerWaalsContact O-N 3.14Å; Q164-E168 PolarHBondContact NE2-OE1 2.84Å; Q164-E168 PolarHBondContact O-N 2.75Å |
| 165 | E | 77.2 | Confident | 76.5 | Confident | 29 Ų | 29 | 56.5 Ų | 56.5 | 14% | 0.136 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64 | -36.8 | -178.3 | -166.5 | -166.5 | 159.1 | 0 | 0 | 111.8 | Y22 L77 R81 E161 D167 E168 T169 | Y22-E165 WeakPolarHBondContact CE1-OE2 3.49Å; Y22-E165 PolarHBondContact OH-OE2 3.21Å; Y22-E165 VanDerWaalsContact OH-OE2 3.11Å; L77-E165 HydrophobicContact CD2-CB 4.18Å; L77-E165 HydrophobicContact CD2-CG 4.2Å; R81-E165 IonicContact CZ-OE1 2.59Å; R81-E165 IonicContact NE-OE1 2.7Å; R81-E165 IonicContact NH2-OE1 3.14Å; R81-E165 PolarHBondContact NH2-OE1 3.31Å; E161-E165 PolarHBondContact O-N 2.92Å; E165-D167 PolarHBondContact O-N 2.95Å; E165-E168 PolarHBondContact O-N 3.13Å; E165-T169 WeakPolarHBondContact O-CB 3.13Å; E165-T169 PolarHBondContact O-N 2.97Å; E165-T169 PolarHBondContact O-OG1 3.14Å |
| 166 | W | 82.2 | Confident | 76.6 | Confident | 2 Ų | 2 | 59.2 Ų | 59.2 | 1% | 0.008 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -58.5 | -46.7 | 172.5 | -176.6 | -72.2 | 0 | 0 | 0 | 112.1 | L76 L77 L80 Y107 K111 L162 Q164 E168 T169 I170 | L76-W166 HydrophobicContact CD2-CH2 3.68Å; L76-W166 HydrophobicContact CD2-CZ3 3.72Å; L76-W166 HydrophobicContact CG-CH2 4Å; L76-W166 HydrophobicContact CG-CZ3 3.87Å; L77-W166 HydrophobicContact CB-CE3 4.49Å; L77-W166 HydrophobicContact CD1-CB 4.41Å; L77-W166 HydrophobicContact CD1-CE3 4Å; L80-W166 HydrophobicContact CD2-CH2 4.37Å; L80-W166 HydrophobicContact CD2-CZ2 4.4Å; Y107-W166 VanDerWaalsContact C-CZ2 3.49Å; Y107-W166 HydrophobicContact CD1-CH2 4.17Å; Y107-W166 WeakPolarHBondContact O-CH2 3.39Å; Y107-W166 WeakPolarHBondContact O-CZ2 3.38Å; K111-W166 HydrophobicContact CB-CD2 4.41Å; K111-W166 HydrophobicContact CB-CE3 4.42Å; K111-W166 HydrophobicContact CB-CH2 3.88Å; K111-W166 HydrophobicContact CB-CZ2 3.84Å; K111-W166 HydrophobicContact CB-CZ3 4.18Å; K111-W166 HydrophobicContact CD-CB 4.39Å; K111-W166 HydrophobicContact CD-CD2 3.6Å; K111-W166 HydrophobicContact CD-CE3 4.1Å; K111-W166 HydrophobicContact CD-CG 3.7Å; K111-W166 HydrophobicContact CD-CZ2 4.43Å; K111-W166 HydrophobicContact CG-CD2 4.46Å; L162-W166 WeakPolarHBondContact O-CB 3.46Å; L162-W166 PolarHBondContact O-N 3.39Å; Q164-W166 VanDerWaalsContact C-N 3.3Å; Q164-W166 PolarHBondContact O-N 3.45Å; W166-E168 VanDerWaalsContact C-N 3.35Å; W166-T169 PolarHBondContact O-N 2.76Å; W166-I170 PolarHBondContact O-N 2.86Å |
| 167 | D | 79.4 | Confident | 76.3 | Confident | 68 Ų | 68 | 59.1 Ų | 59.1 | 36% | 0.364 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -74.1 | -26.9 | -177.6 | -70.5 | 4.4 | 0 | 0 | 0 | 112.1 | K111 Q163 Q164 E165 R171 | K111-D167 IonicContact NZ-OD1 3.95Å; K111-D167 PolarHBondContact NZ-OD1 3.14Å; K111-D167 VanDerWaalsContact NZ-OD1 3.14Å; Q163-D167 PolarHBondContact NE2-OD1 2.97Å; Q163-D167 PolarHBondContact NE2-OD2 2.8Å; Q163-D167 PolarHBondContact O-N 3.07Å; Q163-D167 VanDerWaalsContact O-N 3.17Å; Q164-D167 PolarHBondContact O-N 2.8Å; Q164-D167 VanDerWaalsContact O-N 3.14Å; E165-D167 PolarHBondContact O-N 2.95Å; D167-R171 WeakPolarHBondContact O-CB 3.35Å; D167-R171 PolarHBondContact O-N 3.28Å |
| 168 | E | 80 | Confident | 75.9 | Confident | 71 Ų | 71 | 55.7 Ų | 55.7 | 33% | 0.332 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -69.5 | -38.2 | 166.1 | -73.4 | -175.6 | -156.1 | 0 | 0 | 112.3 | Q164 E165 W166 R171 K172 | Q164-E168 PolarHBondContact NE2-OE1 2.84Å; Q164-E168 PolarHBondContact O-N 2.75Å; E165-E168 PolarHBondContact O-N 3.13Å; W166-E168 VanDerWaalsContact C-N 3.35Å; E168-R171 WeakPolarHBondContact O-CB 3.46Å; E168-R171 PolarHBondContact O-N 3.16Å; E168-K172 PolarHBondContact O-N 3.13Å |
| 169 | T | 77.5 | Confident | 75.7 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 4% | 0.037 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.6 | -46 | 177 | -59.1 | 0 | 0 | 0 | 0 | 111.1 | L80 V84 E165 W166 R171 K172 I173 | L80-T169 HydrophobicContact CD2-CG2 3.73Å; L80-T169 HydrophobicContact CG-CG2 3.86Å; V84-T169 HydrophobicContact CG2-CG2 4.45Å; E165-T169 WeakPolarHBondContact O-CB 3.13Å; E165-T169 PolarHBondContact O-N 2.97Å; E165-T169 PolarHBondContact O-OG1 3.14Å; W166-T169 PolarHBondContact O-N 2.76Å; T169-R171 VanDerWaalsContact C-N 3.26Å; T169-R171 PolarHBondContact O-N 2.99Å; T169-K172 WeakPolarHBondContact O-CB 3.35Å; T169-K172 PolarHBondContact O-N 3.06Å; T169-K172 VanDerWaalsContact O-N 3.1Å; T169-I173 HydrophobicContact CG2-CD1 4.2Å; T169-I173 WeakPolarHBondContact O-CG1 3.05Å; T169-I173 PolarHBondContact O-N 3.45Å |
| 170 | I | 78.5 | Confident | 75.6 | Confident | 23 Ų | 23 | 61.8 Ų | 61.8 | 12% | 0.118 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -59.4 | -36.6 | 172.4 | -78.1 | -172.6 | 0 | 0 | 0 | 111.7 | I104 E108 W166 K172 I173 T174 | I104-I170 HydrophobicContact CG2-CD1 3.79Å; I104-I170 HydrophobicContact CG2-CG1 4.29Å; E108-I170 HydrophobicContact CG-CD1 3.73Å; W166-I170 PolarHBondContact O-N 2.86Å; I170-K172 PolarHBondContact O-N 3.11Å; I170-I173 PolarHBondContact O-N 3.31Å; I170-I173 VanDerWaalsContact O-N 3.11Å; I170-T174 PolarHBondContact O-N 3.2Å; I170-T174 PolarHBondContact O-OG1 3.28Å |
| 171 | R | 76.6 | Confident | 75.5 | Confident | 166 Ų | 166 | 63.7 Ų | 63.7 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -64 | -26.8 | 177.4 | -160.7 | -174.9 | -49.4 | 142.7 | 14.4 | 113.2 | D167 E168 T169 | D167-R171 WeakPolarHBondContact O-CB 3.35Å; D167-R171 PolarHBondContact O-N 3.28Å; E168-R171 WeakPolarHBondContact O-CB 3.46Å; E168-R171 PolarHBondContact O-N 3.16Å; T169-R171 VanDerWaalsContact C-N 3.26Å; T169-R171 PolarHBondContact O-N 2.99Å |
| 172 | K | 72.9 | Confident | 75.5 | Confident | 152 Ų | 152 | 61.7 Ų | 61.7 | 66% | 0.661 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -77.3 | -28.1 | 173 | -66.2 | 171.4 | -176.6 | 173.7 | 0 | 113.1 | E168 T169 I170 | E168-K172 PolarHBondContact O-N 3.13Å; T169-K172 WeakPolarHBondContact O-CB 3.35Å; T169-K172 PolarHBondContact O-N 3.06Å; T169-K172 VanDerWaalsContact O-N 3.1Å; I170-K172 PolarHBondContact O-N 3.11Å |
| 173 | I | 70.5 | Confident | 75.7 | Confident | 18 Ų | 18 | 66.6 Ų | 66.6 | 9% | 0.092 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -91.4 | -28.1 | -176.6 | -51.5 | 161.6 | 0 | 0 | 0 | 111.9 | L80 V84 L100 T101 I104 T169 I170 P175 | L80-I173 HydrophobicContact CD1-CD1 3.79Å; L80-I173 HydrophobicContact CD2-CD1 4.31Å; L80-I173 HydrophobicContact CG-CD1 4.09Å; V84-I173 HydrophobicContact CG2-CD1 3.7Å; V84-I173 HydrophobicContact CG2-CG1 3.58Å; L100-I173 HydrophobicContact CB-CG2 4.1Å; L100-I173 HydrophobicContact CD2-CD1 3.7Å; L100-I173 HydrophobicContact CD2-CG1 3.95Å; L100-I173 HydrophobicContact CD2-CG2 3.93Å; L100-I173 HydrophobicContact CG-CD1 4.25Å; L100-I173 HydrophobicContact CG-CG2 4Å; T101-I173 HydrophobicContact CG2-CG2 4.2Å; I104-I173 HydrophobicContact CD1-CB 4.05Å; I104-I173 HydrophobicContact CD1-CG2 3.77Å; I104-I173 HydrophobicContact CG1-CG2 4.14Å; T169-I173 HydrophobicContact CG2-CD1 4.2Å; T169-I173 WeakPolarHBondContact O-CG1 3.05Å; T169-I173 PolarHBondContact O-N 3.45Å; I170-I173 PolarHBondContact O-N 3.31Å; I170-I173 VanDerWaalsContact O-N 3.11Å; I173-P175 WeakPolarHBondContact O-CD 3.37Å |
| 174 | T | 68 | Low | 75.8 | Confident | 74 Ų | 74 | 65.7 Ų | 65.7 | 45% | 0.454 | 34% | 0.335 | S | S | . | . | S | Bend | trans | -65.8 | 119.7 | -174.6 | -58.2 | 0 | 0 | 0 | 0 | 110.8 | I170 I176 | I170-T174 PolarHBondContact O-N 3.2Å; I170-T174 PolarHBondContact O-OG1 3.28Å; T174-I176 PolarHBondContact O-N 3.29Å |
| 175 | P | 68.4 | Low | 76 | Confident | 46 Ų | 46 | 59.9 Ų | 59.9 | 30% | 0.299 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -69.9 | 131.6 | -169.7 | 25.9 | -33.6 | 0 | 0 | 0 | 112.4 | K94 E97 T101 I173 | K94-P175 WeakPolarHBondContact O-CA 3.4Å; E97-P175 HydrophobicContact CG-CG 4.17Å; T101-P175 HydrophobicContact CG2-CG 4.28Å; I173-P175 WeakPolarHBondContact O-CD 3.37Å |
| 176 | I | 74.4 | Confident | 76.3 | Confident | 60 Ų | 60 | 59.6 Ų | 59.6 | 31% | 0.308 | 31% | 0.307 | S | S | . | . | P | Polyproline II helix | trans | -76.9 | 132.5 | 176.1 | -59.6 | -179.5 | 0 | 0 | 0 | 108.7 | K94 Y95 T174 P178 N181 | K94-I176 HydrophobicContact CB-CD1 4.19Å; K94-I176 PolarHBondContact O-N 3.06Å; Y95-I176 HydrophobicContact CD1-CB 3.94Å; Y95-I176 HydrophobicContact CD1-CG2 3.99Å; Y95-I176 WeakPolarHBondContact CD1-O 3.14Å; Y95-I176 HydrophobicContact CE1-CB 3.93Å; Y95-I176 HydrophobicContact CE1-CG2 3.6Å; T174-I176 PolarHBondContact O-N 3.29Å; I176-P178 WeakPolarHBondContact O-CD 3.39Å; I176-N181 HydrophobicContact CG2-CB 3.92Å; I176-N181 WeakPolarHBondContact CG2-ND2 3.44Å |
| 177 | S | 68.7 | Low | 76.6 | Confident | 56 Ų | 56 | 65.2 Ų | 65.2 | 39% | 0.392 | 33% | 0.333 | S | S | . | . | P | Polyproline II helix | trans | -74.9 | 122.4 | 176.1 | -167.4 | 0 | 0 | 0 | 0 | 111 | F179 T180 N181 | S177-F179 PolarHBondContact O-N 3.39Å; S177-T180 PolarHBondContact O-N 2.97Å; S177-N181 PolarHBondContact O-N 3.4Å |
| 178 | P | 69.2 | Low | 76.9 | Confident | 15 Ų | 15 | 63 Ų | 63 | 10% | 0.097 | 32% | 0.321 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -21.5 | -180 | 28.3 | -36.8 | 0 | 0 | 0 | 112.5 | Y95 I176 Q182 F185 V256 | Y95-P178 HydrophobicContact CD1-CB 4.21Å; I176-P178 WeakPolarHBondContact O-CD 3.39Å; P178-Q182 WeakPolarHBondContact O-CA 3.46Å; P178-Q182 WeakPolarHBondContact O-CG 3.36Å; P178-Q182 PolarHBondContact O-N 3.06Å; P178-F185 HydrophobicContact CB-CB 4.29Å; P178-F185 HydrophobicContact CB-CD1 4.19Å; P178-F185 HydrophobicContact CB-CD2 3.39Å; P178-F185 HydrophobicContact CB-CE1 4.38Å; P178-F185 HydrophobicContact CB-CE2 3.59Å; P178-F185 HydrophobicContact CB-CG 3.69Å; P178-F185 HydrophobicContact CB-CZ 4.1Å; P178-F185 HydrophobicContact CG-CE2 4.47Å; P178-V256 HydrophobicContact CB-CG2 4.21Å; P178-V256 HydrophobicContact CG-CG2 3.94Å |
| 179 | F | 71.5 | Confident | 77.2 | Confident | 70 Ų | 70 | 59.6 Ų | 59.6 | 31% | 0.307 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -23 | 175.6 | -56.9 | -74.3 | 0 | 0 | 0 | 113.4 | S177 Q182 V256 N259 T260 | S177-F179 PolarHBondContact O-N 3.39Å; F179-Q182 PolarHBondContact O-NE2 3.15Å; F179-V256 HydrophobicContact CE1-CG1 4.08Å; F179-V256 HydrophobicContact CZ-CG1 4.43Å; F179-V256 HydrophobicContact CZ-CG2 4.37Å; F179-N259 HydrophobicContact CE1-CB 4.18Å; F179-N259 HydrophobicContact CZ-CB 3.71Å; F179-T260 HydrophobicContact CE1-CG2 4.19Å |
| 180 | T | 75.5 | Confident | 77.7 | Confident | 109 Ų | 109 | 62.3 Ų | 62.3 | 67% | 0.669 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.8 | -46.5 | 175.9 | -52.4 | 0 | 0 | 0 | 0 | 110.4 | S177 | S177-T180 PolarHBondContact O-N 2.97Š|
| 181 | N | 77.2 | Confident | 78.2 | Confident | 65 Ų | 65 | 63.2 Ų | 63.2 | 35% | 0.348 | 33% | 0.328 | S | S | . | . | S | Bend | trans | -106.2 | 53.1 | -174.7 | -67.3 | 12.5 | 0 | 0 | 0 | 111.3 | I176 S177 I183 S184 F185 | I176-N181 HydrophobicContact CG2-CB 3.92Å; I176-N181 WeakPolarHBondContact CG2-ND2 3.44Å; S177-N181 PolarHBondContact O-N 3.4Å; N181-I183 VanDerWaalsContact C-N 3.26Å; N181-I183 PolarHBondContact O-N 3.44Å; N181-S184 WeakPolarHBondContact CB-OG 3.41Å; N181-S184 PolarHBondContact O-N 3.45Å; N181-S184 PolarHBondContact O-OG 3.48Å; N181-F185 WeakPolarHBondContact O-CB 3.47Å; N181-F185 PolarHBondContact O-N 3.47Å |
| 182 | Q | 79.6 | Confident | 78.6 | Confident | 67 Ų | 67 | 55.5 Ų | 55.5 | 31% | 0.313 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -56.3 | -34.8 | -172.4 | -72.4 | 172.4 | 37.7 | 0 | 0 | 114.2 | P178 F179 L186 F266 | P178-Q182 WeakPolarHBondContact O-CA 3.46Å; P178-Q182 WeakPolarHBondContact O-CG 3.36Å; P178-Q182 PolarHBondContact O-N 3.06Å; F179-Q182 PolarHBondContact O-NE2 3.15Å; Q182-L186 WeakPolarHBondContact O-CG 3.24Å; Q182-L186 PolarHBondContact O-N 3.48Å; Q182-F266 HydrophobicContact CB-CD2 3.85Å; Q182-F266 HydrophobicContact CB-CE2 3.56Å; Q182-F266 HydrophobicContact CB-CZ 4.14Å; Q182-F266 HydrophobicContact CG-CD2 4.16Å; Q182-F266 HydrophobicContact CG-CE1 4.32Å; Q182-F266 HydrophobicContact CG-CE2 3.8Å; Q182-F266 HydrophobicContact CG-CZ 3.88Å |
| 183 | I | 81.8 | Confident | 79.4 | Confident | 123 Ų | 123 | 48.6 Ų | 48.6 | 63% | 0.631 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -72.7 | -55.2 | -179.9 | -63 | 175.4 | 0 | 0 | 0 | 110.2 | N181 F185 L186 E187 | N181-I183 VanDerWaalsContact C-N 3.26Å; N181-I183 PolarHBondContact O-N 3.44Å; I183-F185 PolarHBondContact O-N 2.75Å; I183-L186 PolarHBondContact O-N 3.04Å; I183-L186 VanDerWaalsContact O-N 3.07Å; I183-E187 HydrophobicContact CG2-CG 4.34Å; I183-E187 WeakPolarHBondContact CG2-OE1 3.4Å; I183-E187 WeakPolarHBondContact O-CG 3.49Å; I183-E187 PolarHBondContact O-N 3.46Å |
| 184 | S | 83 | Confident | 80.4 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 27% | 0.266 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -64.8 | -28.6 | 179.4 | 70.7 | 0 | 0 | 0 | 0 | 112.5 | Y95 N181 E187 D188 | Y95-S184 VanDerWaalsContact OH-C 3.23Å; Y95-S184 PolarHBondContact OH-O 3.24Å; Y95-S184 PolarHBondContact OH-OG 3.43Å; N181-S184 WeakPolarHBondContact CB-OG 3.41Å; N181-S184 PolarHBondContact O-N 3.45Å; N181-S184 PolarHBondContact O-OG 3.48Å; S184-E187 PolarHBondContact O-N 2.89Å; S184-D188 WeakPolarHBondContact O-CB 3.25Å; S184-D188 VanDerWaalsContact O-CG 3.27Å; S184-D188 PolarHBondContact O-N 3.15Å; S184-D188 VanDerWaalsContact O-OD2 3.13Å |
| 185 | F | 83.8 | Confident | 81.3 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -60.6 | -44 | 172.3 | 173.2 | -102.9 | 0 | 0 | 0 | 112.3 | Y95 P178 N181 I183 I189 L252 V256 F266 L270 | Y95-F185 HydrophobicContact CD1-CB 4.39Å; Y95-F185 AromaticContact CD1-CD2 3.79Å; Y95-F185 HydrophobicContact CD1-CD2 3.79Å; Y95-F185 AromaticContact CD2-CD2 3.93Å; Y95-F185 HydrophobicContact CD2-CD2 3.93Å; Y95-F185 HydrophobicContact CE1-CB 3.91Å; Y95-F185 HydrophobicContact CE1-CD2 4.12Å; Y95-F185 HydrophobicContact CE2-CD2 4.27Å; Y95-F185 AromaticContact CG-CD2 3.71Å; Y95-F185 HydrophobicContact CG-CD2 3.71Å; Y95-F185 HydrophobicContact CG-CE2 4.3Å; Y95-F185 PolarHBondContact OH-N 3.45Å; P178-F185 HydrophobicContact CB-CB 4.29Å; P178-F185 HydrophobicContact CB-CD1 4.19Å; P178-F185 HydrophobicContact CB-CD2 3.39Å; P178-F185 HydrophobicContact CB-CE1 4.38Å; P178-F185 HydrophobicContact CB-CE2 3.59Å; P178-F185 HydrophobicContact CB-CG 3.69Å; P178-F185 HydrophobicContact CB-CZ 4.1Å; P178-F185 HydrophobicContact CG-CE2 4.47Å; N181-F185 WeakPolarHBondContact O-CB 3.47Å; N181-F185 PolarHBondContact O-N 3.47Å; I183-F185 PolarHBondContact O-N 2.75Å; F185-I189 HydrophobicContact CD1-CD1 4.48Å; F185-I189 HydrophobicContact CD2-CD1 3.96Å; F185-I189 HydrophobicContact CE1-CD1 3.98Å; F185-I189 HydrophobicContact CE2-CD1 3.43Å; F185-I189 VanDerWaalsContact CE2-CD1 3.43Å; F185-I189 HydrophobicContact CG-CD1 4.48Å; F185-I189 HydrophobicContact CZ-CD1 3.44Å; F185-I189 VanDerWaalsContact CZ-CD1 3.44Å; F185-I189 WeakPolarHBondContact O-CG1 3.35Å; F185-I189 PolarHBondContact O-N 3.12Å; F185-L252 HydrophobicContact CE2-CD1 4.38Å; F185-L252 HydrophobicContact CE2-CD2 3.91Å; F185-L252 HydrophobicContact CE2-CG 3.94Å; F185-L252 HydrophobicContact CZ-CG 4.16Å; F185-V256 HydrophobicContact CE1-CG1 4.43Å; F185-V256 HydrophobicContact CE1-CG2 4.23Å; F185-V256 HydrophobicContact CZ-CB 4.47Å; F185-V256 HydrophobicContact CZ-CG2 3.82Å; F185-F266 HydrophobicContact CD1-CE2 4.39Å; F185-F266 HydrophobicContact CD1-CZ 4.15Å; F185-F266 HydrophobicContact CE1-CZ 4.48Å; F185-L270 HydrophobicContact CE1-CD2 4Å |
| 186 | L | 84.6 | Confident | 82.3 | Confident | 23 Ų | 23 | 52.4 Ų | 52.4 | 12% | 0.12 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -69.6 | -42.7 | 175.7 | -68.5 | 171.8 | 0 | 0 | 0 | 111.3 | Q182 I183 D190 F266 N269 L270 L273 | Q182-L186 WeakPolarHBondContact O-CG 3.24Å; Q182-L186 PolarHBondContact O-N 3.48Å; I183-L186 PolarHBondContact O-N 3.04Å; I183-L186 VanDerWaalsContact O-N 3.07Å; L186-D190 WeakPolarHBondContact O-CB 3.25Å; L186-D190 PolarHBondContact O-N 2.88Å; L186-F266 HydrophobicContact CD1-CD2 3.72Å; L186-F266 HydrophobicContact CD1-CE2 3.83Å; L186-F266 HydrophobicContact CD2-CE2 4.24Å; L186-F266 HydrophobicContact CG-CD2 4.3Å; L186-F266 HydrophobicContact CG-CE2 3.88Å; L186-N269 HydrophobicContact CD1-CB 3.6Å; L186-N269 HydrophobicContact CD2-CB 4.15Å; L186-L270 HydrophobicContact CD2-CD2 4.27Å; L186-L273 HydrophobicContact CD2-CD2 4.01Å |
| 187 | E | 86.6 | Confident | 83.1 | Confident | 119 Ų | 119 | 51.7 Ų | 51.7 | 56% | 0.556 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -68.1 | -40.3 | -179.7 | -67.3 | 170.4 | 160.9 | 0 | 0 | 112.9 | I183 S184 S191 | I183-E187 HydrophobicContact CG2-CG 4.34Å; I183-E187 WeakPolarHBondContact CG2-OE1 3.4Å; I183-E187 WeakPolarHBondContact O-CG 3.49Å; I183-E187 PolarHBondContact O-N 3.46Å; S184-E187 PolarHBondContact O-N 2.89Å; E187-S191 WeakPolarHBondContact O-CB 3.41Å; E187-S191 PolarHBondContact O-N 3.32Å |
| 188 | D | 86.3 | Confident | 84 | Confident | 22 Ų | 22 | 51 Ų | 51 | 12% | 0.118 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -63.8 | -45 | 176.6 | -83.6 | -48.8 | 0 | 0 | 0 | 110.8 | N91 K94 Y95 S184 D192 | N91-D188 HydrophobicContact CB-CB 3.78Å; N91-D188 VanDerWaalsContact CB-OD1 3.3Å; N91-D188 WeakPolarHBondContact CB-OD1 3.44Å; K94-D188 IonicContact NZ-OD1 2.75Å; K94-D188 PolarHBondContact NZ-OD1 3.38Å; K94-D188 IonicContact NZ-OD2 3.15Å; Y95-D188 HydrophobicContact CE2-CB 3.84Å; Y95-D188 WeakPolarHBondContact CE2-OD2 3.29Å; Y95-D188 VanDerWaalsContact CZ-OD2 3.3Å; Y95-D188 PolarHBondContact OH-OD2 3.4Å; S184-D188 WeakPolarHBondContact O-CB 3.25Å; S184-D188 VanDerWaalsContact O-CG 3.27Å; S184-D188 PolarHBondContact O-N 3.15Å; S184-D188 VanDerWaalsContact O-OD2 3.13Å; D188-D192 PolarHBondContact O-N 3.48Å; D188-D192 VanDerWaalsContact O-N 3.09Å |
| 189 | I | 86.5 | Confident | 85 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -72.9 | -44.3 | 178.4 | -62.4 | 173.2 | 0 | 0 | 0 | 111.2 | F92 F185 S191 D192 L193 I249 L252 V253 L273 | F92-I189 HydrophobicContact CB-CG1 3.79Å; F185-I189 HydrophobicContact CD1-CD1 4.48Å; F185-I189 HydrophobicContact CD2-CD1 3.96Å; F185-I189 HydrophobicContact CE1-CD1 3.98Å; F185-I189 HydrophobicContact CE2-CD1 3.43Å; F185-I189 VanDerWaalsContact CE2-CD1 3.43Å; F185-I189 HydrophobicContact CG-CD1 4.48Å; F185-I189 HydrophobicContact CZ-CD1 3.44Å; F185-I189 VanDerWaalsContact CZ-CD1 3.44Å; F185-I189 WeakPolarHBondContact O-CG1 3.35Å; F185-I189 PolarHBondContact O-N 3.12Å; I189-S191 VanDerWaalsContact C-N 3.26Å; I189-S191 PolarHBondContact O-N 3.32Å; I189-D192 PolarHBondContact O-N 3.02Å; I189-D192 VanDerWaalsContact O-N 3.12Å; I189-L193 HydrophobicContact CG2-CD1 3.94Å; I189-L193 HydrophobicContact CG2-CG 4.01Å; I189-L193 WeakPolarHBondContact O-CB 3.47Å; I189-L193 VanDerWaalsContact O-CG 3.32Å; I189-L193 WeakPolarHBondContact O-CG 3.07Å; I189-L193 PolarHBondContact O-N 3.12Å; I189-I249 HydrophobicContact CG2-CG2 3.5Å; I189-I249 VanDerWaalsContact CG2-CG2 3.5Å; I189-L252 HydrophobicContact CD1-CD2 4.35Å; I189-V253 HydrophobicContact CD1-CG2 4.31Å; I189-L273 HydrophobicContact CB-CD1 4.46Å; I189-L273 HydrophobicContact CB-CD2 4.06Å; I189-L273 HydrophobicContact CD1-CD2 4.3Å; I189-L273 HydrophobicContact CG2-CD1 3.99Å; I189-L273 HydrophobicContact CG2-CD2 3.8Å; I189-L273 HydrophobicContact CG2-CG 4.07Å |
| 190 | D | 88.4 | Confident | 85.8 | Confident | 62 Ų | 62 | 48.9 Ų | 48.9 | 33% | 0.332 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.6 | -38.4 | 174.9 | 172.4 | 64 | 0 | 0 | 0 | 111.5 | L186 K194 L273 | L186-D190 WeakPolarHBondContact O-CB 3.25Å; L186-D190 PolarHBondContact O-N 2.88Å; D190-K194 VanDerWaalsContact O-CB 3.31Å; D190-K194 WeakPolarHBondContact O-CB 3.39Å; D190-K194 WeakPolarHBondContact O-CD 3.23Å; D190-K194 VanDerWaalsContact O-CG 3.23Å; D190-K194 WeakPolarHBondContact O-CG 3.43Å; D190-K194 PolarHBondContact O-N 3.06Å; D190-K194 WeakPolarHBondContact OD1-CE 3.31Å; D190-K194 IonicContact OD1-NZ 2.76Å; D190-K194 PolarHBondContact OD1-NZ 2.95Å; D190-K194 WeakPolarHBondContact OD2-CE 3.14Å; D190-K194 IonicContact OD2-NZ 3.73Å; D190-K194 PolarHBondContact OD2-NZ 3.09Å; D190-L273 HydrophobicContact CB-CD1 4.32Å |
| 191 | S | 87.9 | Confident | 86.5 | Confident | 42 Ų | 42 | 46.8 Ų | 46.8 | 29% | 0.294 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -60.6 | -47.7 | 171.3 | 179.9 | 0 | 0 | 0 | 0 | 112.3 | E187 I189 K194 K195 | E187-S191 WeakPolarHBondContact O-CB 3.41Å; E187-S191 PolarHBondContact O-N 3.32Å; I189-S191 VanDerWaalsContact C-N 3.26Å; I189-S191 PolarHBondContact O-N 3.32Å; S191-K194 PolarHBondContact O-N 2.79Å; S191-K195 WeakPolarHBondContact O-CG 3.36Å; S191-K195 PolarHBondContact O-N 3.2Å |
| 192 | D | 86.7 | Confident | 87 | Confident | 5 Ų | 5 | 47 Ų | 47 | 3% | 0.027 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -69.4 | -39.2 | 179.9 | -71 | -23.7 | 0 | 0 | 0 | 112.8 | G90 N91 F92 D188 I189 K194 K195 I196 I249 | G90-D192 WeakPolarHBondContact CA-OD2 3.37Å; N91-D192 WeakPolarHBondContact CA-OD2 3.36Å; N91-D192 WeakPolarHBondContact CB-OD2 3.4Å; N91-D192 VanDerWaalsContact N-CG 3.33Å; N91-D192 PolarHBondContact N-OD1 2.89Å; N91-D192 VanDerWaalsContact N-OD1 3.16Å; N91-D192 PolarHBondContact N-OD2 3.36Å; F92-D192 WeakPolarHBondContact CD1-OD2 3.45Å; F92-D192 PolarHBondContact N-OD2 2.88Å; D188-D192 PolarHBondContact O-N 3.48Å; D188-D192 VanDerWaalsContact O-N 3.09Å; I189-D192 PolarHBondContact O-N 3.02Å; I189-D192 VanDerWaalsContact O-N 3.12Å; D192-K194 VanDerWaalsContact C-N 3.3Å; D192-K194 PolarHBondContact O-N 3.01Å; D192-K195 PolarHBondContact O-N 3.42Å; D192-K195 IonicContact OD1-NZ 3.94Å; D192-K195 PolarHBondContact OD1-NZ 3.09Å; D192-I196 VanDerWaalsContact O-CG1 3.27Å; D192-I196 WeakPolarHBondContact O-CG1 3.11Å; D192-I196 PolarHBondContact O-N 3.28Å; D192-I249 HydrophobicContact CB-CD1 4.42Å |
| 193 | L | 89.6 | Confident | 87.4 | Confident | 6 Ų | 6 | 44.1 Ų | 44.1 | 3% | 0.031 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.6 | -37.6 | 173.2 | -66.2 | 180 | 0 | 0 | 0 | 111.3 | I189 I196 D197 L246 I249 L273 V277 L280 | I189-L193 HydrophobicContact CG2-CD1 3.94Å; I189-L193 HydrophobicContact CG2-CG 4.01Å; I189-L193 WeakPolarHBondContact O-CB 3.47Å; I189-L193 VanDerWaalsContact O-CG 3.32Å; I189-L193 WeakPolarHBondContact O-CG 3.07Å; I189-L193 PolarHBondContact O-N 3.12Å; L193-I196 PolarHBondContact O-N 3.3Å; L193-D197 WeakPolarHBondContact O-CB 3.35Å; L193-D197 PolarHBondContact O-N 2.66Å; L193-L246 HydrophobicContact CD2-CD1 3.43Å; L193-L246 VanDerWaalsContact CD2-CD1 3.43Å; L193-I249 HydrophobicContact CD2-CD1 4.14Å; L193-I249 HydrophobicContact CD2-CG2 4.22Å; L193-L273 HydrophobicContact CD1-CD1 3.67Å; L193-L273 HydrophobicContact CD1-CG 4.12Å; L193-V277 HydrophobicContact CD1-CG2 3.78Å; L193-V277 HydrophobicContact CD2-CG2 3.93Å; L193-L280 HydrophobicContact CB-CD1 3.82Å; L193-L280 HydrophobicContact CD2-CD1 3.7Å; L193-L280 HydrophobicContact CG-CD1 4.24Å |
| 194 | K | 89.9 | Confident | 87.7 | Confident | 121 Ų | 121 | 40.3 Ų | 40.3 | 53% | 0.526 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -67.8 | -38.8 | 173.8 | -77.5 | 167.1 | 178.5 | 164.7 | 0 | 113.3 | D190 S191 D192 I196 D197 A198 | D190-K194 VanDerWaalsContact O-CB 3.31Å; D190-K194 WeakPolarHBondContact O-CB 3.39Å; D190-K194 WeakPolarHBondContact O-CD 3.23Å; D190-K194 VanDerWaalsContact O-CG 3.23Å; D190-K194 WeakPolarHBondContact O-CG 3.43Å; D190-K194 PolarHBondContact O-N 3.06Å; D190-K194 WeakPolarHBondContact OD1-CE 3.31Å; D190-K194 IonicContact OD1-NZ 2.76Å; D190-K194 PolarHBondContact OD1-NZ 2.95Å; D190-K194 WeakPolarHBondContact OD2-CE 3.14Å; D190-K194 IonicContact OD2-NZ 3.73Å; D190-K194 PolarHBondContact OD2-NZ 3.09Å; S191-K194 PolarHBondContact O-N 2.79Å; D192-K194 VanDerWaalsContact C-N 3.3Å; D192-K194 PolarHBondContact O-N 3.01Å; K194-I196 VanDerWaalsContact C-N 3.32Å; K194-D197 PolarHBondContact O-N 2.88Å; K194-A198 VanDerWaalsContact O-CB 3.29Å; K194-A198 WeakPolarHBondContact O-CB 3.43Å; K194-A198 PolarHBondContact O-N 3.35Å |
| 195 | K | 88.5 | Confident | 87.7 | Confident | 93 Ų | 93 | 42.7 Ų | 42.7 | 40% | 0.404 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -59.9 | -44.7 | 171 | -67.9 | 169.7 | -163 | 162.1 | 0 | 110.8 | N91 S191 D192 W199 | N91-K195 PolarHBondContact ND2-NZ 3.17Å; S191-K195 WeakPolarHBondContact O-CG 3.36Å; S191-K195 PolarHBondContact O-N 3.2Å; D192-K195 PolarHBondContact O-N 3.42Å; D192-K195 IonicContact OD1-NZ 3.94Å; D192-K195 PolarHBondContact OD1-NZ 3.09Å; K195-W199 WeakPolarHBondContact O-CB 3.39Å; K195-W199 PolarHBondContact O-N 3.34Å |
| 196 | I | 88.8 | Confident | 87.7 | Confident | 4 Ų | 4 | 47.1 Ų | 47.1 | 2% | 0.021 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -65.5 | -43.5 | 178.9 | -67.6 | 167.4 | 0 | 0 | 0 | 110.9 | D192 L193 K194 W199 L200 Y242 T245 L280 F284 | D192-I196 VanDerWaalsContact O-CG1 3.27Å; D192-I196 WeakPolarHBondContact O-CG1 3.11Å; D192-I196 PolarHBondContact O-N 3.28Å; L193-I196 PolarHBondContact O-N 3.3Å; K194-I196 VanDerWaalsContact C-N 3.32Å; I196-W199 PolarHBondContact O-N 2.77Å; I196-L200 HydrophobicContact CG2-CD1 4.13Å; I196-L200 HydrophobicContact CG2-CG 4.48Å; I196-L200 WeakPolarHBondContact O-CB 3.4Å; I196-L200 WeakPolarHBondContact O-CG 3.38Å; I196-L200 PolarHBondContact O-N 3.12Å; I196-Y242 HydrophobicContact CD1-CD1 4.44Å; I196-Y242 HydrophobicContact CG1-CD1 3.92Å; I196-Y242 HydrophobicContact CG1-CE1 4.36Å; I196-T245 HydrophobicContact CD1-CG2 4.2Å; I196-L280 HydrophobicContact CG2-CD2 4.16Å; I196-F284 HydrophobicContact CG2-CE2 3.55Å; I196-F284 HydrophobicContact CG2-CZ 3.54Å |
| 197 | D | 90.1 | Very high | 87.7 | Confident | 45 Ų | 45 | 46.9 Ų | 46.9 | 24% | 0.241 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -64 | -45.7 | 176.9 | -158.5 | 68.2 | 0 | 0 | 0 | 111.8 | L193 K194 W199 L200 N201 L280 K283 | L193-D197 WeakPolarHBondContact O-CB 3.35Å; L193-D197 PolarHBondContact O-N 2.66Å; K194-D197 PolarHBondContact O-N 2.88Å; D197-W199 VanDerWaalsContact C-N 3.33Å; D197-W199 PolarHBondContact O-N 2.72Å; D197-L200 PolarHBondContact O-N 3.13Å; D197-N201 WeakPolarHBondContact O-CB 3.39Å; D197-N201 PolarHBondContact O-N 3.05Å; D197-N201 PolarHBondContact O-ND2 3.26Å; D197-N201 VanDerWaalsContact O-ND2 3.09Å; D197-N201 PolarHBondContact O-OD1 2.94Å; D197-N201 PolarHBondContact OD2-ND2 2.67Å; D197-L280 HydrophobicContact CB-CD2 3.85Å; D197-L280 VanDerWaalsContact OD1-CD2 3.25Å; D197-L280 WeakPolarHBondContact OD1-CD2 3.5Å; D197-K283 WeakPolarHBondContact OD1-CD 3.37Å; D197-K283 WeakPolarHBondContact OD1-CE 3.31Å; D197-K283 IonicContact OD1-NZ 2.64Å; D197-K283 PolarHBondContact OD1-NZ 3.3Å; D197-K283 IonicContact OD2-NZ 3.04Å; D197-K283 PolarHBondContact OD2-NZ 3.01Å |
| 198 | A | 88.9 | Confident | 87.4 | Confident | 41 Ų | 41 | 42.1 Ų | 42.1 | 34% | 0.339 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -58 | -45.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | K194 N201 T202 | K194-A198 VanDerWaalsContact O-CB 3.29Å; K194-A198 WeakPolarHBondContact O-CB 3.43Å; K194-A198 PolarHBondContact O-N 3.35Å; A198-N201 PolarHBondContact O-N 3.46Å; A198-T202 WeakPolarHBondContact O-CB 3.31Å; A198-T202 PolarHBondContact O-N 2.97Å; A198-T202 PolarHBondContact O-OG1 3.28Å |
| 199 | W | 90 | Very high | 87 | Confident | 42 Ų | 42 | 46 Ų | 46 | 16% | 0.159 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -42.3 | 176 | -178.6 | 81.5 | 0 | 0 | 0 | 112.8 | K195 I196 D197 T202 L203 Q238 I239 Y242 F284 | K195-W199 WeakPolarHBondContact O-CB 3.39Å; K195-W199 PolarHBondContact O-N 3.34Å; I196-W199 PolarHBondContact O-N 2.77Å; D197-W199 VanDerWaalsContact C-N 3.33Å; D197-W199 PolarHBondContact O-N 2.72Å; W199-T202 PolarHBondContact O-N 3.39Å; W199-L203 HydrophobicContact CH2-CD2 3.65Å; W199-L203 HydrophobicContact CZ2-CD2 4.13Å; W199-L203 HydrophobicContact CZ3-CD2 3.95Å; W199-L203 WeakPolarHBondContact O-CB 3.05Å; W199-L203 PolarHBondContact O-N 2.85Å; W199-Q238 HydrophobicContact CH2-CB 3.67Å; W199-Q238 HydrophobicContact CZ2-CB 3.47Å; W199-Q238 VanDerWaalsContact CZ2-CB 3.47Å; W199-Q238 HydrophobicContact CZ2-CG 4.39Å; W199-I239 HydrophobicContact CH2-CG1 3.85Å; W199-I239 HydrophobicContact CZ3-CG1 3.99Å; W199-Y242 AromaticContact CD2-CD2 3.92Å; W199-Y242 HydrophobicContact CD2-CD2 3.92Å; W199-Y242 AromaticContact CD2-CE2 3.51Å; W199-Y242 HydrophobicContact CD2-CE2 3.51Å; W199-Y242 AromaticContact CE2-CE2 3.64Å; W199-Y242 AromaticContact CE3-CD2 3.61Å; W199-Y242 HydrophobicContact CE3-CD2 3.61Å; W199-Y242 AromaticContact CE3-CE2 3.73Å; W199-Y242 HydrophobicContact CE3-CE2 3.73Å; W199-Y242 HydrophobicContact CE3-CG 4.5Å; W199-Y242 AromaticContact CG-CE2 3.99Å; W199-Y242 HydrophobicContact CG-CE2 3.99Å; W199-Y242 AromaticContact CH2-CD2 3.93Å; W199-Y242 HydrophobicContact CH2-CD2 3.93Å; W199-Y242 HydrophobicContact CH2-CE2 4.18Å; W199-Y242 HydrophobicContact CZ2-CD2 4.22Å; W199-Y242 HydrophobicContact CZ2-CE2 4.01Å; W199-Y242 AromaticContact CZ3-CD2 3.61Å; W199-Y242 HydrophobicContact CZ3-CD2 3.61Å; W199-Y242 HydrophobicContact CZ3-CE2 4.06Å; W199-F284 HydrophobicContact CZ3-CE1 4.24Å |
| 200 | L | 89.1 | Confident | 86.4 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -65.4 | -39.9 | 175.7 | -74.9 | 174.4 | 0 | 0 | 0 | 112.5 | I196 D197 L203 A204 L280 K283 F284 L287 | I196-L200 HydrophobicContact CG2-CD1 4.13Å; I196-L200 HydrophobicContact CG2-CG 4.48Å; I196-L200 WeakPolarHBondContact O-CB 3.4Å; I196-L200 WeakPolarHBondContact O-CG 3.38Å; I196-L200 PolarHBondContact O-N 3.12Å; D197-L200 PolarHBondContact O-N 3.13Å; L200-L203 PolarHBondContact O-N 3.23Å; L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.49Å; L200-L280 HydrophobicContact CD1-CD2 3.74Å; L200-K283 HydrophobicContact CD1-CB 4.03Å; L200-F284 HydrophobicContact CD1-CD1 4.3Å; L200-F284 HydrophobicContact CD1-CD2 3.9Å; L200-F284 HydrophobicContact CD1-CE1 4.2Å; L200-F284 HydrophobicContact CD1-CE2 3.76Å; L200-F284 HydrophobicContact CD1-CG 4.14Å; L200-F284 HydrophobicContact CD1-CZ 3.89Å; L200-F284 HydrophobicContact CD2-CD1 3.76Å; L200-F284 HydrophobicContact CD2-CE1 3.64Å; L200-F284 HydrophobicContact CD2-CG 4.34Å; L200-F284 HydrophobicContact CD2-CZ 4.1Å; L200-F284 HydrophobicContact CG-CE1 4.25Å; L200-F284 HydrophobicContact CG-CZ 4.2Å; L200-L287 HydrophobicContact CB-CD1 3.95Å; L200-L287 HydrophobicContact CD2-CD1 3.7Å; L200-L287 HydrophobicContact CG-CD1 4.37Å; L200-L287 WeakPolarHBondContact O-CD1 3.25Å |
| 201 | N | 89.2 | Confident | 85.8 | Confident | 65 Ų | 65 | 52.7 Ų | 52.7 | 35% | 0.348 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 176.7 | -61.4 | -27.2 | 0 | 0 | 0 | 110.6 | D197 A198 A204 S205 K283 | D197-N201 WeakPolarHBondContact O-CB 3.39Å; D197-N201 PolarHBondContact O-N 3.05Å; D197-N201 PolarHBondContact O-ND2 3.26Å; D197-N201 VanDerWaalsContact O-ND2 3.09Å; D197-N201 PolarHBondContact O-OD1 2.94Å; D197-N201 PolarHBondContact OD2-ND2 2.67Å; A198-N201 PolarHBondContact O-N 3.46Å; N201-A204 WeakPolarHBondContact O-CB 3.21Å; N201-A204 PolarHBondContact O-N 3.16Å; N201-S205 PolarHBondContact O-N 3.25Å; N201-S205 PolarHBondContact O-OG 3.37Å; N201-K283 PolarHBondContact OD1-NZ 3.19Å |
| 202 | T | 88.2 | Confident | 85.1 | Confident | 70 Ų | 70 | 52.8 Ų | 52.8 | 43% | 0.429 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.1 | -40.4 | 172.1 | -59.1 | 0 | 0 | 0 | 0 | 112.1 | A198 W199 S205 N206 | A198-T202 WeakPolarHBondContact O-CB 3.31Å; A198-T202 PolarHBondContact O-N 2.97Å; A198-T202 PolarHBondContact O-OG1 3.28Å; W199-T202 PolarHBondContact O-N 3.39Å; T202-S205 WeakPolarHBondContact CA-OG 3.28Å; T202-S205 PolarHBondContact O-N 3.2Å; T202-S205 PolarHBondContact O-OG 3.48Å; T202-N206 WeakPolarHBondContact O-CB 3.33Å; T202-N206 PolarHBondContact O-N 2.61Å; T202-N206 VanDerWaalsContact O-N 3.08Å; T202-N206 PolarHBondContact O-ND2 3.5Å |
| 203 | L | 88 | Confident | 84.7 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -64.5 | -41.3 | 174.2 | -179.3 | 59.6 | 0 | 0 | 0 | 111.1 | W199 L200 N206 L207 C235 I239 L291 | W199-L203 HydrophobicContact CH2-CD2 3.65Å; W199-L203 HydrophobicContact CZ2-CD2 4.13Å; W199-L203 HydrophobicContact CZ3-CD2 3.95Å; W199-L203 WeakPolarHBondContact O-CB 3.05Å; W199-L203 PolarHBondContact O-N 2.85Å; L200-L203 PolarHBondContact O-N 3.23Å; L203-N206 PolarHBondContact O-N 3.13Å; L203-L207 HydrophobicContact CD1-CD1 4.4Å; L203-L207 HydrophobicContact CG-CD1 4.24Å; L203-L207 WeakPolarHBondContact O-CD1 3.33Å; L203-L207 VanDerWaalsContact O-CG 3.26Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.35Å; L203-C235 HydrophobicContact CD1-CB 3.93Å; L203-I239 HydrophobicContact CD2-CD1 3.97Å; L203-I239 HydrophobicContact CD2-CG1 4.13Å; L203-L291 HydrophobicContact CD1-CD1 4.48Å; L203-L291 HydrophobicContact CD2-CD1 4.08Å |
| 204 | A | 86.8 | Confident | 84.1 | Confident | 43 Ų | 43 | 56.1 Ų | 56.1 | 36% | 0.355 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -61.4 | -45.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | L200 N201 N206 L207 L287 | L200-A204 WeakPolarHBondContact O-CB 3.47Å; L200-A204 PolarHBondContact O-N 3.49Å; N201-A204 WeakPolarHBondContact O-CB 3.21Å; N201-A204 PolarHBondContact O-N 3.16Å; A204-N206 VanDerWaalsContact C-N 3.28Å; A204-N206 PolarHBondContact O-N 3.12Å; A204-L207 PolarHBondContact O-N 3.32Å; A204-L287 HydrophobicContact CB-CD1 4.39Å; A204-L287 HydrophobicContact CB-CD2 3.8Å |
| 205 | S | 84.5 | Confident | 83.6 | Confident | 89 Ų | 89 | 55.4 Ų | 55.4 | 62% | 0.622 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -68 | -25.7 | 178.1 | 58.2 | 0 | 0 | 0 | 0 | 113.7 | N201 T202 L207 | N201-S205 PolarHBondContact O-N 3.25Å; N201-S205 PolarHBondContact O-OG 3.37Å; T202-S205 WeakPolarHBondContact CA-OG 3.28Å; T202-S205 PolarHBondContact O-N 3.2Å; T202-S205 PolarHBondContact O-OG 3.48Å; S205-L207 VanDerWaalsContact C-N 3.33Å |
| 206 | N | 83.5 | Confident | 83.2 | Confident | 92 Ų | 92 | 55.2 Ų | 55.2 | 49% | 0.492 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83 | -8 | 176.2 | -70.7 | -20.5 | 0 | 0 | 0 | 113.4 | T202 L203 A204 | T202-N206 WeakPolarHBondContact O-CB 3.33Å; T202-N206 PolarHBondContact O-N 2.61Å; T202-N206 VanDerWaalsContact O-N 3.08Å; T202-N206 PolarHBondContact O-ND2 3.5Å; L203-N206 PolarHBondContact O-N 3.13Å; A204-N206 VanDerWaalsContact C-N 3.28Å; A204-N206 PolarHBondContact O-N 3.12Å |
| 207 | L | 83.8 | Confident | 82.6 | Confident | 18 Ų | 18 | 55.1 Ų | 55.1 | 9% | 0.094 | 33% | 0.329 | C | S | . | . | S | Bend | trans | -95.4 | 141.5 | 178.3 | -71.7 | 165.6 | 0 | 0 | 0 | 111.2 | L203 A204 S205 N209 Y232 L287 L291 L294 | L203-L207 HydrophobicContact CD1-CD1 4.4Å; L203-L207 HydrophobicContact CG-CD1 4.24Å; L203-L207 WeakPolarHBondContact O-CD1 3.33Å; L203-L207 VanDerWaalsContact O-CG 3.26Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.35Å; A204-L207 PolarHBondContact O-N 3.32Å; S205-L207 VanDerWaalsContact C-N 3.33Å; L207-N209 PolarHBondContact O-N 2.8Å; L207-Y232 HydrophobicContact CD2-CD1 4.05Å; L207-Y232 HydrophobicContact CD2-CE1 3.51Å; L207-L287 HydrophobicContact CD1-CD2 3.79Å; L207-L291 HydrophobicContact CD1-CD2 4.44Å; L207-L291 HydrophobicContact CD1-CG 4.07Å; L207-L291 HydrophobicContact CD2-CD2 3.72Å; L207-L291 HydrophobicContact CD2-CG 4.18Å; L207-L294 HydrophobicContact CD2-CD1 3.74Å |
| 208 | P | 80.2 | Confident | 82 | Confident | 20 Ų | 20 | 58.6 Ų | 58.6 | 13% | 0.13 | 35% | 0.345 | C | S | . | . | P | Polyproline II helix | trans | -68.9 | 133.6 | -178.1 | 29.1 | -36.3 | 0 | 0 | 0 | 111.6 | W213 F216 Y232 R290 L294 | P208-W213 HydrophobicContact CB-CB 3.86Å; P208-W213 HydrophobicContact CG-CB 3.84Å; P208-F216 HydrophobicContact CB-CB 4.15Å; P208-F216 HydrophobicContact CB-CD1 3.74Å; P208-F216 HydrophobicContact CB-CE1 4.38Å; P208-F216 HydrophobicContact CB-CG 4.04Å; P208-F216 HydrophobicContact CG-CD1 3.81Å; P208-F216 HydrophobicContact CG-CE1 4.26Å; P208-Y232 WeakPolarHBondContact CD-OH 3.45Å; P208-R290 PolarHBondContact O-NH2 2.97Å; P208-L294 HydrophobicContact CG-CD1 4.09Å; P208-L294 HydrophobicContact CG-CD2 3.87Å |
| 209 | N | 78.2 | Confident | 81.6 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 56% | 0.556 | 36% | 0.357 | S | S | * | . | P | Polyproline II helix | trans | -50.5 | 142.8 | -177.3 | -169.5 | -23.7 | 0 | 0 | 0 | 112.5 | L207 S211 A212 W213 R290 | L207-N209 PolarHBondContact O-N 2.8Å; N209-S211 PolarHBondContact O-N 2.8Å; N209-S211 VanDerWaalsContact O-N 3.1Å; N209-S211 PolarHBondContact OD1-N 2.64Å; N209-S211 PolarHBondContact OD1-OG 2.98Å; N209-A212 PolarHBondContact O-N 3.28Å; N209-W213 WeakPolarHBondContact O-CB 3.49Å; N209-W213 PolarHBondContact O-N 3.35Å; N209-R290 PolarHBondContact O-NH2 2.58Å |
| 210 | T | 73.2 | Confident | 81.2 | Confident | 101 Ų | 101 | 59.5 Ų | 59.5 | 62% | 0.62 | 35% | 0.354 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -23.3 | 179.9 | 50.9 | 0 | 0 | 0 | 0 | 113.9 | W213 | T210-W213 PolarHBondContact O-NE1 3.18Š|
| 211 | S | 77 | Confident | 80.9 | Confident | 100 Ų | 100 | 62.2 Ų | 62.2 | 70% | 0.699 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.5 | -27.4 | 173.1 | 58.7 | 0 | 0 | 0 | 0 | 115.2 | N209 | N209-S211 PolarHBondContact O-N 2.8Å; N209-S211 VanDerWaalsContact O-N 3.1Å; N209-S211 PolarHBondContact OD1-N 2.64Å; N209-S211 PolarHBondContact OD1-OG 2.98Å |
| 212 | A | 72.2 | Confident | 80.2 | Confident | 45 Ų | 45 | 62 Ų | 62 | 37% | 0.372 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -120 | -7.3 | -165.1 | 0 | 0 | 0 | 0 | 0 | 114.9 | N209 M214 T215 F216 | N209-A212 PolarHBondContact O-N 3.28Å; A212-M214 PolarHBondContact O-N 3.46Å; A212-T215 WeakPolarHBondContact O-CB 3.35Å; A212-T215 PolarHBondContact O-N 2.78Å; A212-T215 VanDerWaalsContact O-N 3.15Å; A212-F216 PolarHBondContact O-N 2.94Å |
| 213 | W | 79.8 | Confident | 79.9 | Confident | 24 Ų | 24 | 64 Ų | 64 | 9% | 0.091 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -63 | -34.6 | -170.6 | 67 | -80.3 | 0 | 0 | 0 | 115.9 | P208 N209 T210 T215 F216 L217 E293 L294 Y297 | P208-W213 HydrophobicContact CB-CB 3.86Å; P208-W213 HydrophobicContact CG-CB 3.84Å; N209-W213 WeakPolarHBondContact O-CB 3.49Å; N209-W213 PolarHBondContact O-N 3.35Å; T210-W213 PolarHBondContact O-NE1 3.18Å; W213-T215 VanDerWaalsContact C-N 3.33Å; W213-F216 PolarHBondContact O-N 3.14Å; W213-L217 HydrophobicContact CE3-CD1 3.86Å; W213-L217 HydrophobicContact CZ3-CD1 4.24Å; W213-L217 WeakPolarHBondContact O-CB 3.28Å; W213-L217 WeakPolarHBondContact O-CG 3.25Å; W213-L217 PolarHBondContact O-N 3.38Å; W213-E293 HydrophobicContact CH2-CG 4.24Å; W213-E293 HydrophobicContact CZ2-CG 4.44Å; W213-E293 WeakPolarHBondContact CZ2-OE1 3.17Å; W213-L294 HydrophobicContact CB-CD2 3.84Å; W213-L294 HydrophobicContact CD2-CD2 3.91Å; W213-L294 HydrophobicContact CE3-CD2 3.54Å; W213-L294 HydrophobicContact CG-CD2 4.08Å; W213-L294 HydrophobicContact CZ3-CD2 4.31Å; W213-Y297 AromaticContact CH2-CD2 3.91Å; W213-Y297 HydrophobicContact CH2-CD2 3.91Å; W213-Y297 HydrophobicContact CH2-CE2 4.32Å; W213-Y297 HydrophobicContact CH2-CG 4.34Å; W213-Y297 HydrophobicContact CZ3-CD1 4.12Å; W213-Y297 AromaticContact CZ3-CD2 3.58Å; W213-Y297 HydrophobicContact CZ3-CD2 3.58Å; W213-Y297 HydrophobicContact CZ3-CE2 4.02Å; W213-Y297 AromaticContact CZ3-CG 3.61Å; W213-Y297 HydrophobicContact CZ3-CG 3.61Å |
| 214 | M | 76.2 | Confident | 79.7 | Confident | 57 Ų | 57 | 68.4 Ų | 68.4 | 28% | 0.281 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.2 | -43.2 | 174.9 | -68.3 | -168.4 | -175.9 | 0 | 0 | 110.5 | A212 F216 L217 M218 Y297 Y846 | A212-M214 PolarHBondContact O-N 3.46Å; M214-F216 PolarHBondContact O-N 3.39Å; M214-L217 PolarHBondContact O-N 3.05Å; M214-M218 VanDerWaalsContact O-CB 3.3Å; M214-M218 WeakPolarHBondContact O-CB 3.33Å; M214-M218 VanDerWaalsContact O-CG 3.28Å; M214-M218 WeakPolarHBondContact O-CG 3.2Å; M214-M218 PolarHBondContact O-N 2.91Å; M214-Y297 HydrophobicContact CG-CE2 4.26Å; M214-Y846 HydrophobicContact CE-CE2 4.13Å; M214-Y846 PolarHBondContact SD-OH 3Å |
| 215 | T | 78.7 | Confident | 79.4 | Confident | 106 Ų | 106 | 67 Ų | 67 | 65% | 0.65 | 39% | 0.39 | S | S | * | . | H | α-helix | trans | -60.9 | -44.6 | 175.2 | -47.1 | 0 | 0 | 0 | 0 | 111.3 | A212 W213 S219 | A212-T215 WeakPolarHBondContact O-CB 3.35Å; A212-T215 PolarHBondContact O-N 2.78Å; A212-T215 VanDerWaalsContact O-N 3.15Å; W213-T215 VanDerWaalsContact C-N 3.33Å; T215-S219 WeakPolarHBondContact O-CB 3.26Å; T215-S219 PolarHBondContact O-N 3.3Å |
| 216 | F | 80 | Confident | 79.2 | Confident | 88 Ų | 88 | 69.1 Ų | 69.1 | 39% | 0.386 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -59.4 | -54.7 | 174.7 | 177.1 | -103.7 | 0 | 0 | 0 | 111.6 | P208 A212 W213 M214 M218 S219 L220 | P208-F216 HydrophobicContact CB-CB 4.15Å; P208-F216 HydrophobicContact CB-CD1 3.74Å; P208-F216 HydrophobicContact CB-CE1 4.38Å; P208-F216 HydrophobicContact CB-CG 4.04Å; P208-F216 HydrophobicContact CG-CD1 3.81Å; P208-F216 HydrophobicContact CG-CE1 4.26Å; A212-F216 PolarHBondContact O-N 2.94Å; W213-F216 PolarHBondContact O-N 3.14Å; M214-F216 PolarHBondContact O-N 3.39Å; F216-M218 VanDerWaalsContact C-N 3.31Å; F216-M218 PolarHBondContact O-N 3.02Å; F216-S219 WeakPolarHBondContact O-CB 3.24Å; F216-S219 PolarHBondContact O-N 2.87Å; F216-S219 PolarHBondContact O-OG 2.77Å; F216-L220 HydrophobicContact CE1-CD1 4.16Å; F216-L220 HydrophobicContact CE1-CD2 4.34Å; F216-L220 HydrophobicContact CE2-CD2 4.24Å; F216-L220 HydrophobicContact CZ-CD2 4.02Å; F216-L220 PolarHBondContact O-N 3.32Å |
| 217 | L | 77.8 | Confident | 79.1 | Confident | 2 Ų | 2 | 67.3 Ų | 67.3 | 1% | 0.01 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -68.2 | -25.4 | -177.2 | -66.2 | -174.8 | 0 | 0 | 0 | 114 | W213 M214 L220 T228 L294 Y297 I298 | W213-L217 HydrophobicContact CE3-CD1 3.86Å; W213-L217 HydrophobicContact CZ3-CD1 4.24Å; W213-L217 WeakPolarHBondContact O-CB 3.28Å; W213-L217 WeakPolarHBondContact O-CG 3.25Å; W213-L217 PolarHBondContact O-N 3.38Å; M214-L217 PolarHBondContact O-N 3.05Å; L217-L220 HydrophobicContact CD2-CD1 3.76Å; L217-T228 HydrophobicContact CD2-CG2 4.47Å; L217-L294 HydrophobicContact CD1-CD2 3.83Å; L217-Y297 HydrophobicContact CB-CD1 3.84Å; L217-Y297 HydrophobicContact CB-CE1 3.63Å; L217-Y297 HydrophobicContact CD1-CD1 3.47Å; L217-Y297 VanDerWaalsContact CD1-CD1 3.47Å; L217-Y297 HydrophobicContact CD1-CE1 4.08Å; L217-Y297 HydrophobicContact CD1-CG 4.19Å; L217-Y297 HydrophobicContact CG-CD1 4.32Å; L217-I298 HydrophobicContact CD1-CG1 4.03Å; L217-I298 HydrophobicContact CD2-CD1 3.84Å; L217-I298 HydrophobicContact CD2-CG1 3.94Å |
| 218 | M | 76.3 | Confident | 79.2 | Confident | 118 Ų | 118 | 67.5 Ų | 67.5 | 58% | 0.581 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -76.6 | -25.7 | 169.5 | -73.3 | -61.7 | -153.1 | 0 | 0 | 113 | M214 F216 Y297 | M214-M218 VanDerWaalsContact O-CB 3.3Å; M214-M218 WeakPolarHBondContact O-CB 3.33Å; M214-M218 VanDerWaalsContact O-CG 3.28Å; M214-M218 WeakPolarHBondContact O-CG 3.2Å; M214-M218 PolarHBondContact O-N 2.91Å; F216-M218 VanDerWaalsContact C-N 3.31Å; F216-M218 PolarHBondContact O-N 3.02Å; M218-Y297 WeakPolarHBondContact CE-OH 3.25Å; M218-Y297 WeakPolarHBondContact CG-OH 3.34Å |
| 219 | S | 81.7 | Confident | 79.3 | Confident | 85 Ų | 85 | 67.5 Ų | 67.5 | 59% | 0.594 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -78.4 | -17.1 | 176.2 | 75.6 | 0 | 0 | 0 | 0 | 114 | T215 F216 | T215-S219 WeakPolarHBondContact O-CB 3.26Å; T215-S219 PolarHBondContact O-N 3.3Å; F216-S219 WeakPolarHBondContact O-CB 3.24Å; F216-S219 PolarHBondContact O-N 2.87Å; F216-S219 PolarHBondContact O-OG 2.77Å |
| 220 | L | 80.9 | Confident | 79.7 | Confident | 18 Ų | 18 | 67.3 Ų | 67.3 | 9% | 0.094 | 38% | 0.38 | C | S | . | . | S | Bend | trans | -70.6 | 131 | 178.4 | -60.9 | -175.7 | 0 | 0 | 0 | 111.5 | F216 L217 Q224 K225 T228 | F216-L220 HydrophobicContact CE1-CD1 4.16Å; F216-L220 HydrophobicContact CE1-CD2 4.34Å; F216-L220 HydrophobicContact CE2-CD2 4.24Å; F216-L220 HydrophobicContact CZ-CD2 4.02Å; F216-L220 PolarHBondContact O-N 3.32Å; L217-L220 HydrophobicContact CD2-CD1 3.76Å; L220-Q224 HydrophobicContact CB-CB 3.95Å; L220-Q224 HydrophobicContact CD2-CB 4.15Å; L220-Q224 HydrophobicContact CG-CB 4.47Å; L220-K225 HydrophobicContact CB-CG 3.92Å; L220-K225 VanDerWaalsContact O-CE 3.29Å; L220-K225 WeakPolarHBondContact O-CE 3.37Å; L220-T228 HydrophobicContact CD1-CG2 4.23Å |
| 221 | S | 81.9 | Confident | 80.4 | Confident | 57 Ų | 57 | 67.1 Ų | 67.1 | 40% | 0.399 | 37% | 0.369 | S | S | . | . | trans | -63.2 | 162.1 | 166.8 | 74.8 | 0 | 0 | 0 | 0 | 111.2 | V223 Q224 K225 | S221-V223 PolarHBondContact O-N 3.47Å; S221-Q224 CarbonylContact O-C 3.6Å; S221-Q224 WeakPolarHBondContact O-CA 3.34Å; S221-Q224 WeakPolarHBondContact O-CB 3.3Å; S221-Q224 PolarHBondContact O-N 2.9Å; S221-Q224 WeakPolarHBondContact OG-CG 3.5Å; S221-Q224 PolarHBondContact OG-N 3.33Å; S221-Q224 PolarHBondContact OG-OE1 3.49Å; S221-Q224 VanDerWaalsContact OG-OE1 3.05Å; S221-K225 WeakPolarHBondContact O-CG 3.27Å; S221-K225 PolarHBondContact O-N 2.79Å | ||
| 222 | N | 76.3 | Confident | 81 | Confident | 61 Ų | 61 | 62.5 Ų | 62.5 | 33% | 0.326 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.5 | -25.5 | -174.3 | -69.1 | 21.3 | 0 | 0 | 0 | 113.6 | K225 F226 D305 | N222-K225 PolarHBondContact OD1-NZ 2.9Å; N222-F226 PolarHBondContact O-N 2.8Å; N222-D305 VanDerWaalsContact CG-OD2 3.28Å; N222-D305 WeakPolarHBondContact ND2-CB 3.41Å; N222-D305 PolarHBondContact ND2-OD2 3.46Å; N222-D305 PolarHBondContact OD1-OD2 3.28Å; N222-D305 VanDerWaalsContact OD1-OD2 3.09Å |
| 223 | V | 80.6 | Confident | 81.6 | Confident | 111 Ų | 111 | 66.1 Ų | 66.1 | 67% | 0.673 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -68.2 | -48 | 169 | -177.6 | 0 | 0 | 0 | 0 | 110 | S221 K225 F226 S227 | S221-V223 PolarHBondContact O-N 3.47Å; V223-K225 PolarHBondContact O-N 3.45Å; V223-F226 PolarHBondContact O-N 3.45Å; V223-S227 PolarHBondContact O-N 3.47Å; V223-S227 PolarHBondContact O-OG 3.29Å |
| 224 | Q | 84 | Confident | 81.9 | Confident | 97 Ų | 97 | 68.2 Ų | 68.2 | 45% | 0.453 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 177.2 | -71.3 | 166.3 | -41.5 | 0 | 0 | 112 | L220 S221 F226 S227 T228 | L220-Q224 HydrophobicContact CB-CB 3.95Å; L220-Q224 HydrophobicContact CD2-CB 4.15Å; L220-Q224 HydrophobicContact CG-CB 4.47Å; S221-Q224 CarbonylContact O-C 3.6Å; S221-Q224 WeakPolarHBondContact O-CA 3.34Å; S221-Q224 WeakPolarHBondContact O-CB 3.3Å; S221-Q224 PolarHBondContact O-N 2.9Å; S221-Q224 WeakPolarHBondContact OG-CG 3.5Å; S221-Q224 PolarHBondContact OG-N 3.33Å; S221-Q224 PolarHBondContact OG-OE1 3.49Å; S221-Q224 VanDerWaalsContact OG-OE1 3.05Å; Q224-F226 VanDerWaalsContact C-N 3.3Å; Q224-F226 PolarHBondContact O-N 2.85Å; Q224-S227 PolarHBondContact O-N 2.78Å; Q224-T228 WeakPolarHBondContact O-CB 3.32Å; Q224-T228 PolarHBondContact O-N 3.14Å; Q224-T228 PolarHBondContact O-OG1 3.13Å |
| 225 | K | 81.2 | Confident | 82.5 | Confident | 15 Ų | 15 | 65.6 Ų | 65.6 | 7% | 0.065 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -50.8 | -49.7 | 172.1 | -72 | 175.6 | -173.2 | 153.5 | 0 | 110.8 | L220 S221 N222 V223 T228 A229 I298 I302 D305 | L220-K225 HydrophobicContact CB-CG 3.92Å; L220-K225 VanDerWaalsContact O-CE 3.29Å; L220-K225 WeakPolarHBondContact O-CE 3.37Å; S221-K225 WeakPolarHBondContact O-CG 3.27Å; S221-K225 PolarHBondContact O-N 2.79Å; N222-K225 PolarHBondContact OD1-NZ 2.9Å; V223-K225 PolarHBondContact O-N 3.45Å; K225-T228 PolarHBondContact O-N 3.21Å; K225-A229 WeakPolarHBondContact O-CB 3.35Å; K225-A229 PolarHBondContact O-N 3.41Å; K225-I298 HydrophobicContact CB-CG2 4.03Å; K225-I298 WeakPolarHBondContact O-CG2 3.36Å; K225-I302 HydrophobicContact CB-CD1 4.34Å; K225-I302 HydrophobicContact CB-CG1 4.25Å; K225-D305 IonicContact NZ-OD2 3.02Å; K225-D305 PolarHBondContact NZ-OD2 3.3Å |
| 226 | F | 78.9 | Confident | 82.9 | Confident | 133 Ų | 133 | 61.7 Ų | 61.7 | 58% | 0.583 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -65.5 | -44.2 | 179.4 | -171.6 | -98.9 | 0 | 0 | 0 | 112.7 | N222 V223 Q224 T228 A229 K230 | N222-F226 PolarHBondContact O-N 2.8Å; V223-F226 PolarHBondContact O-N 3.45Å; Q224-F226 VanDerWaalsContact C-N 3.3Å; Q224-F226 PolarHBondContact O-N 2.85Å; F226-T228 PolarHBondContact O-N 3.32Å; F226-A229 PolarHBondContact O-N 2.8Å; F226-K230 PolarHBondContact O-N 3.32Å |
| 227 | S | 82.9 | Confident | 83.2 | Confident | 53 Ų | 53 | 64.1 Ų | 64.1 | 37% | 0.371 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 174.1 | -61 | 0 | 0 | 0 | 0 | 112.5 | V223 Q224 K230 Y231 | V223-S227 PolarHBondContact O-N 3.47Å; V223-S227 PolarHBondContact O-OG 3.29Å; Q224-S227 PolarHBondContact O-N 2.78Å; S227-K230 PolarHBondContact O-N 2.87Å; S227-Y231 WeakPolarHBondContact O-CB 3.42Å; S227-Y231 PolarHBondContact O-N 3.28Å |
| 228 | T | 84.7 | Confident | 83.6 | Confident | 23 Ų | 23 | 66.5 Ų | 66.5 | 14% | 0.141 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -67.9 | -38.4 | 177.7 | -60.2 | 0 | 0 | 0 | 0 | 111.7 | L217 L220 Q224 K225 F226 Y231 Y232 I298 | L217-T228 HydrophobicContact CD2-CG2 4.47Å; L220-T228 HydrophobicContact CD1-CG2 4.23Å; Q224-T228 WeakPolarHBondContact O-CB 3.32Å; Q224-T228 PolarHBondContact O-N 3.14Å; Q224-T228 PolarHBondContact O-OG1 3.13Å; K225-T228 PolarHBondContact O-N 3.21Å; F226-T228 PolarHBondContact O-N 3.32Å; T228-Y231 PolarHBondContact O-N 2.82Å; T228-Y232 HydrophobicContact CG2-CD1 4.44Å; T228-Y232 HydrophobicContact CG2-CD2 4.06Å; T228-Y232 HydrophobicContact CG2-CE1 3.89Å; T228-Y232 HydrophobicContact CG2-CE2 3.47Å; T228-Y232 VanDerWaalsContact CG2-CE2 3.47Å; T228-Y232 VanDerWaalsContact O-CG 3.31Å; T228-Y232 PolarHBondContact O-N 3.46Å; T228-I298 HydrophobicContact CG2-CD1 3.63Å |
| 229 | A | 83.5 | Confident | 84.1 | Confident | 20 Ų | 20 | 61.2 Ų | 61.2 | 17% | 0.165 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -45.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 112 | K225 F226 Y231 Y232 Q233 I298 | K225-A229 WeakPolarHBondContact O-CB 3.35Å; K225-A229 PolarHBondContact O-N 3.41Å; F226-A229 PolarHBondContact O-N 2.8Å; A229-Y231 VanDerWaalsContact C-N 3.34Å; A229-Y231 PolarHBondContact O-N 3.46Å; A229-Y232 PolarHBondContact O-N 2.82Å; A229-Q233 WeakPolarHBondContact O-CB 3.44Å; A229-Q233 PolarHBondContact O-N 3.25Å; A229-I298 HydrophobicContact CB-CG2 3.93Å |
| 230 | K | 85.2 | Confident | 84.1 | Confident | 99 Ų | 99 | 62.1 Ų | 62.1 | 43% | 0.43 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -61 | -41.7 | 175.3 | -168.8 | -179.9 | 179.9 | -175 | 0 | 111.4 | F226 S227 Q233 V234 | F226-K230 PolarHBondContact O-N 3.32Å; S227-K230 PolarHBondContact O-N 2.87Å; K230-Q233 PolarHBondContact O-N 2.83Å; K230-V234 WeakPolarHBondContact O-CG2 3.37Å; K230-V234 PolarHBondContact O-N 3.47Å; K230-V234 VanDerWaalsContact O-N 3.07Å |
| 231 | Y | 88.1 | Confident | 84.2 | Confident | 97 Ų | 97 | 67 Ų | 67 | 38% | 0.38 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -62 | -49.7 | 174.6 | 173.4 | -108.4 | 0 | 0 | 0 | 112.4 | S227 T228 A229 Q233 V234 C235 | S227-Y231 WeakPolarHBondContact O-CB 3.42Å; S227-Y231 PolarHBondContact O-N 3.28Å; T228-Y231 PolarHBondContact O-N 2.82Å; A229-Y231 VanDerWaalsContact C-N 3.34Å; A229-Y231 PolarHBondContact O-N 3.46Å; Y231-Q233 VanDerWaalsContact C-N 3.28Å; Y231-Q233 PolarHBondContact O-N 2.86Å; Y231-V234 PolarHBondContact O-N 3.36Å; Y231-V234 VanDerWaalsContact O-N 3.11Å; Y231-C235 VanDerWaalsContact CZ-SG 3.53Å; Y231-C235 PolarHBondContact O-N 3.43Å; Y231-C235 PolarHBondContact O-SG 2.83Å |
| 232 | Y | 89 | Confident | 84.4 | Confident | 4 Ų | 4 | 68 Ų | 68 | 2% | 0.016 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -62.3 | -35 | 176.5 | -64.7 | -19.1 | 0 | 0 | 0 | 112.3 | L207 P208 T228 A229 C235 L236 L291 L294 I298 | L207-Y232 HydrophobicContact CD2-CD1 4.05Å; L207-Y232 HydrophobicContact CD2-CE1 3.51Å; P208-Y232 WeakPolarHBondContact CD-OH 3.45Å; T228-Y232 HydrophobicContact CG2-CD1 4.44Å; T228-Y232 HydrophobicContact CG2-CD2 4.06Å; T228-Y232 HydrophobicContact CG2-CE1 3.89Å; T228-Y232 HydrophobicContact CG2-CE2 3.47Å; T228-Y232 VanDerWaalsContact CG2-CE2 3.47Å; T228-Y232 VanDerWaalsContact O-CG 3.31Å; T228-Y232 PolarHBondContact O-N 3.46Å; A229-Y232 PolarHBondContact O-N 2.82Å; Y232-C235 PolarHBondContact O-N 2.96Å; Y232-L236 WeakPolarHBondContact O-CB 3.35Å; Y232-L236 WeakPolarHBondContact O-CG 3.39Å; Y232-L236 PolarHBondContact O-N 3.3Å; Y232-L291 HydrophobicContact CD1-CD2 3.52Å; Y232-L291 HydrophobicContact CE1-CD2 4.3Å; Y232-L291 HydrophobicContact CG-CD2 3.71Å; Y232-L294 HydrophobicContact CD2-CB 4.08Å; Y232-L294 HydrophobicContact CE2-CB 3.6Å; Y232-L294 HydrophobicContact CE2-CD1 4.44Å; Y232-I298 HydrophobicContact CD2-CD1 3.89Å; Y232-I298 HydrophobicContact CE2-CD1 3.62Å |
| 233 | Q | 84.9 | Confident | 84.8 | Confident | 120 Ų | 120 | 67 Ų | 67 | 56% | 0.561 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65.4 | -35.8 | 174.1 | -165.2 | -175.3 | 32 | 0 | 0 | 112.6 | A229 K230 Y231 K237 | A229-Q233 WeakPolarHBondContact O-CB 3.44Å; A229-Q233 PolarHBondContact O-N 3.25Å; K230-Q233 PolarHBondContact O-N 2.83Å; Y231-Q233 VanDerWaalsContact C-N 3.28Å; Y231-Q233 PolarHBondContact O-N 2.86Å; Q233-K237 PolarHBondContact O-N 3.11Å |
| 234 | V | 87.5 | Confident | 84.9 | Confident | 69 Ų | 69 | 67.2 Ų | 67.2 | 42% | 0.418 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.2 | -44.5 | 171.7 | 172 | 0 | 0 | 0 | 0 | 110.8 | K230 Y231 L236 K237 Q238 | K230-V234 WeakPolarHBondContact O-CG2 3.37Å; K230-V234 PolarHBondContact O-N 3.47Å; K230-V234 VanDerWaalsContact O-N 3.07Å; Y231-V234 PolarHBondContact O-N 3.36Å; Y231-V234 VanDerWaalsContact O-N 3.11Å; V234-L236 VanDerWaalsContact C-N 3.33Å; V234-L236 PolarHBondContact O-N 3.46Å; V234-K237 WeakPolarHBondContact O-CB 3.46Å; V234-K237 PolarHBondContact O-N 2.93Å; V234-K237 VanDerWaalsContact O-N 3.14Å; V234-Q238 HydrophobicContact CG1-CG 4.49Å; V234-Q238 WeakPolarHBondContact O-CG 3.45Å; V234-Q238 PolarHBondContact O-N 2.83Å |
| 235 | C | 87.7 | Confident | 84.8 | Confident | 1 Ų | 1 | 64.3 Ų | 64.3 | 1% | 0.007 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.2 | -40.9 | 177.3 | -62.6 | 0 | 0 | 0 | 0 | 112.2 | L203 Y231 Y232 K237 Q238 I239 L291 | L203-C235 HydrophobicContact CD1-CB 3.93Å; Y231-C235 VanDerWaalsContact CZ-SG 3.53Å; Y231-C235 PolarHBondContact O-N 3.43Å; Y231-C235 PolarHBondContact O-SG 2.83Å; Y232-C235 PolarHBondContact O-N 2.96Å; C235-K237 PolarHBondContact O-N 3.3Å; C235-Q238 PolarHBondContact O-N 3.47Å; C235-I239 PolarHBondContact O-N 3.42Å; C235-L291 HydrophobicContact CB-CD1 3.89Å; C235-L291 HydrophobicContact CB-CD2 4.04Å |
| 236 | L | 87.3 | Confident | 85 | Confident | 25 Ų | 25 | 63.8 Ų | 63.8 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -62.9 | -38.7 | 175.3 | -75.7 | 168.8 | 0 | 0 | 0 | 112.4 | Y232 V234 I239 E240 W288 L291 L292 | Y232-L236 WeakPolarHBondContact O-CB 3.35Å; Y232-L236 WeakPolarHBondContact O-CG 3.39Å; Y232-L236 PolarHBondContact O-N 3.3Å; V234-L236 VanDerWaalsContact C-N 3.33Å; V234-L236 PolarHBondContact O-N 3.46Å; L236-I239 PolarHBondContact O-N 2.88Å; L236-E240 PolarHBondContact O-N 2.94Å; L236-W288 HydrophobicContact CD2-CG 4.35Å; L236-L291 HydrophobicContact CD2-CB 3.69Å; L236-L291 HydrophobicContact CD2-CD1 4.35Å; L236-L291 HydrophobicContact CG-CB 4.02Å; L236-L292 HydrophobicContact CD1-CD2 4.14Å; L236-L292 HydrophobicContact CD2-CD2 4.44Å; L236-L292 HydrophobicContact CD2-CG 4.35Å |
| 237 | K | 86.3 | Confident | 85.3 | Confident | 139 Ų | 139 | 60.3 Ų | 60.3 | 60% | 0.604 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -66.4 | -39.6 | 172.8 | -72.8 | -179.5 | 178 | -176.1 | 0 | 112.4 | Q233 V234 C235 E240 Q241 | Q233-K237 PolarHBondContact O-N 3.11Å; V234-K237 WeakPolarHBondContact O-CB 3.46Å; V234-K237 PolarHBondContact O-N 2.93Å; V234-K237 VanDerWaalsContact O-N 3.14Å; C235-K237 PolarHBondContact O-N 3.3Å; K237-E240 WeakPolarHBondContact O-CB 3.5Å; K237-E240 PolarHBondContact O-N 3.49Å; K237-Q241 PolarHBondContact O-N 3.24Å |
| 238 | Q | 85.7 | Confident | 85.3 | Confident | 52 Ų | 52 | 60.3 Ų | 60.3 | 24% | 0.243 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -66.7 | -39.4 | 176.4 | -70.9 | 174.7 | -28.9 | 0 | 0 | 111.5 | W199 V234 C235 E240 Q241 Y242 | W199-Q238 HydrophobicContact CH2-CB 3.67Å; W199-Q238 HydrophobicContact CZ2-CB 3.47Å; W199-Q238 VanDerWaalsContact CZ2-CB 3.47Å; W199-Q238 HydrophobicContact CZ2-CG 4.39Å; V234-Q238 HydrophobicContact CG1-CG 4.49Å; V234-Q238 WeakPolarHBondContact O-CG 3.45Å; V234-Q238 PolarHBondContact O-N 2.83Å; C235-Q238 PolarHBondContact O-N 3.47Å; Q238-E240 VanDerWaalsContact C-N 3.33Å; Q238-E240 PolarHBondContact O-N 3.41Å; Q238-Q241 PolarHBondContact O-N 3.42Å; Q238-Y242 VanDerWaalsContact O-CD2 3.25Å; Q238-Y242 WeakPolarHBondContact O-CD2 3.38Å; Q238-Y242 PolarHBondContact O-N 3.45Å |
| 239 | I | 86.9 | Confident | 85.3 | Confident | 6 Ų | 6 | 59.2 Ų | 59.2 | 3% | 0.031 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -57.4 | -44.6 | 168.4 | -77.5 | -177.9 | 0 | 0 | 0 | 111 | W199 L203 C235 L236 Q241 Y242 S243 F284 L287 W288 L291 | W199-I239 HydrophobicContact CH2-CG1 3.85Å; W199-I239 HydrophobicContact CZ3-CG1 3.99Å; L203-I239 HydrophobicContact CD2-CD1 3.97Å; L203-I239 HydrophobicContact CD2-CG1 4.13Å; C235-I239 PolarHBondContact O-N 3.42Å; L236-I239 PolarHBondContact O-N 2.88Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 3.12Å; I239-Y242 PolarHBondContact O-N 3.05Å; I239-S243 VanDerWaalsContact O-CB 3.25Å; I239-S243 WeakPolarHBondContact O-CB 3.35Å; I239-S243 PolarHBondContact O-N 3.36Å; I239-S243 PolarHBondContact O-OG 3.44Å; I239-F284 HydrophobicContact CB-CD1 4.46Å; I239-F284 HydrophobicContact CG1-CD1 4.27Å; I239-F284 HydrophobicContact CG1-CE1 4.37Å; I239-F284 HydrophobicContact CG2-CD1 3.98Å; I239-F284 HydrophobicContact CG2-CE1 4.47Å; I239-L287 HydrophobicContact CD1-CB 4.29Å; I239-W288 HydrophobicContact CD1-CB 4.3Å; I239-W288 HydrophobicContact CG2-CB 4.24Å; I239-W288 HydrophobicContact CG2-CG 4.37Å; I239-L291 HydrophobicContact CD1-CD1 3.6Å |
| 240 | E | 83 | Confident | 85.4 | Confident | 105 Ų | 105 | 59.2 Ų | 59.2 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.5 | -31.4 | 178 | -155.8 | -157.3 | 133.5 | 0 | 0 | 112.6 | L236 K237 Q238 S243 K244 | L236-E240 PolarHBondContact O-N 2.94Å; K237-E240 WeakPolarHBondContact O-CB 3.5Å; K237-E240 PolarHBondContact O-N 3.49Å; Q238-E240 VanDerWaalsContact C-N 3.33Å; Q238-E240 PolarHBondContact O-N 3.41Å; E240-S243 WeakPolarHBondContact CA-OG 3.46Å; E240-S243 PolarHBondContact O-OG 2.96Å; E240-K244 VanDerWaalsContact O-CD 3.26Å; E240-K244 WeakPolarHBondContact O-CD 3.32Å; E240-K244 VanDerWaalsContact O-CE 3.31Å; E240-K244 WeakPolarHBondContact O-CE 3.34Å; E240-K244 VanDerWaalsContact O-CG 3.31Å; E240-K244 WeakPolarHBondContact O-CG 3.4Å; E240-K244 WeakPolarHBondContact OE1-CE 3.49Å; E240-K244 IonicContact OE1-NZ 3.95Å; E240-K244 PolarHBondContact OE1-NZ 2.9Å |
| 241 | Q | 82.7 | Confident | 85.3 | Confident | 121 Ų | 121 | 60.5 Ų | 60.5 | 57% | 0.565 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -73.6 | -53 | 174.8 | -174.7 | 172.2 | -8.6 | 0 | 0 | 111.5 | K237 Q238 I239 S243 K244 T245 | K237-Q241 PolarHBondContact O-N 3.24Å; Q238-Q241 PolarHBondContact O-N 3.42Å; I239-Q241 VanDerWaalsContact C-N 3.28Å; I239-Q241 PolarHBondContact O-N 3.12Å; Q241-S243 VanDerWaalsContact C-N 3.34Å; Q241-S243 PolarHBondContact O-N 2.92Å; Q241-K244 WeakPolarHBondContact O-CB 3.37Å; Q241-K244 PolarHBondContact O-N 3.5Å; Q241-T245 PolarHBondContact O-N 2.95Å; Q241-T245 PolarHBondContact O-OG1 3.43Å |
| 242 | Y | 85.5 | Confident | 85 | Confident | 78 Ų | 78 | 56.6 Ų | 56.6 | 31% | 0.306 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -68.5 | -28.5 | -179 | -70.7 | -67.9 | 0 | 0 | 0 | 113.6 | I196 W199 Q238 I239 K244 T245 L246 F284 | I196-Y242 HydrophobicContact CD1-CD1 4.44Å; I196-Y242 HydrophobicContact CG1-CD1 3.92Å; I196-Y242 HydrophobicContact CG1-CE1 4.36Å; W199-Y242 AromaticContact CD2-CD2 3.92Å; W199-Y242 HydrophobicContact CD2-CD2 3.92Å; W199-Y242 AromaticContact CD2-CE2 3.51Å; W199-Y242 HydrophobicContact CD2-CE2 3.51Å; W199-Y242 AromaticContact CE2-CE2 3.64Å; W199-Y242 AromaticContact CE3-CD2 3.61Å; W199-Y242 HydrophobicContact CE3-CD2 3.61Å; W199-Y242 AromaticContact CE3-CE2 3.73Å; W199-Y242 HydrophobicContact CE3-CE2 3.73Å; W199-Y242 HydrophobicContact CE3-CG 4.5Å; W199-Y242 AromaticContact CG-CE2 3.99Å; W199-Y242 HydrophobicContact CG-CE2 3.99Å; W199-Y242 AromaticContact CH2-CD2 3.93Å; W199-Y242 HydrophobicContact CH2-CD2 3.93Å; W199-Y242 HydrophobicContact CH2-CE2 4.18Å; W199-Y242 HydrophobicContact CZ2-CD2 4.22Å; W199-Y242 HydrophobicContact CZ2-CE2 4.01Å; W199-Y242 AromaticContact CZ3-CD2 3.61Å; W199-Y242 HydrophobicContact CZ3-CD2 3.61Å; W199-Y242 HydrophobicContact CZ3-CE2 4.06Å; Q238-Y242 VanDerWaalsContact O-CD2 3.25Å; Q238-Y242 WeakPolarHBondContact O-CD2 3.38Å; Q238-Y242 PolarHBondContact O-N 3.45Å; I239-Y242 PolarHBondContact O-N 3.05Å; Y242-K244 VanDerWaalsContact C-N 3.31Å; Y242-K244 PolarHBondContact O-N 3.37Å; Y242-T245 WeakPolarHBondContact O-CB 3.47Å; Y242-T245 PolarHBondContact O-N 3.23Å; Y242-L246 PolarHBondContact O-N 3.09Å; Y242-F284 VanDerWaalsContact CB-CZ 3.47Å |
| 243 | S | 84.7 | Confident | 84.8 | Confident | 40 Ų | 40 | 56.5 Ų | 56.5 | 28% | 0.28 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -67.6 | -29.6 | 173.7 | 56 | 0 | 0 | 0 | 0 | 112.8 | I239 E240 Q241 S247 | I239-S243 VanDerWaalsContact O-CB 3.25Å; I239-S243 WeakPolarHBondContact O-CB 3.35Å; I239-S243 PolarHBondContact O-N 3.36Å; I239-S243 PolarHBondContact O-OG 3.44Å; E240-S243 WeakPolarHBondContact CA-OG 3.46Å; E240-S243 PolarHBondContact O-OG 2.96Å; Q241-S243 VanDerWaalsContact C-N 3.34Å; Q241-S243 PolarHBondContact O-N 2.92Å; S243-S247 WeakPolarHBondContact O-CB 3.3Å; S243-S247 PolarHBondContact O-N 3.41Å; S243-S247 PolarHBondContact O-OG 3.21Å |
| 244 | K | 82.6 | Confident | 84.6 | Confident | 114 Ų | 114 | 53.5 Ų | 53.5 | 50% | 0.496 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -69.3 | -40.4 | 169.3 | -66.5 | 162.4 | -169.4 | 164.2 | 0 | 111.3 | E240 Q241 Y242 S247 T248 | E240-K244 VanDerWaalsContact O-CD 3.26Å; E240-K244 WeakPolarHBondContact O-CD 3.32Å; E240-K244 VanDerWaalsContact O-CE 3.31Å; E240-K244 WeakPolarHBondContact O-CE 3.34Å; E240-K244 VanDerWaalsContact O-CG 3.31Å; E240-K244 WeakPolarHBondContact O-CG 3.4Å; E240-K244 WeakPolarHBondContact OE1-CE 3.49Å; E240-K244 IonicContact OE1-NZ 3.95Å; E240-K244 PolarHBondContact OE1-NZ 2.9Å; Q241-K244 WeakPolarHBondContact O-CB 3.37Å; Q241-K244 PolarHBondContact O-N 3.5Å; Y242-K244 VanDerWaalsContact C-N 3.31Å; Y242-K244 PolarHBondContact O-N 3.37Å; K244-S247 PolarHBondContact O-N 3.02Å; K244-T248 PolarHBondContact O-N 2.74Å; K244-T248 PolarHBondContact O-OG1 3.26Å |
| 245 | T | 81.7 | Confident | 84.2 | Confident | 36 Ų | 36 | 55.7 Ų | 55.7 | 22% | 0.221 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -59.3 | -48.1 | 171.9 | -53.3 | 0 | 0 | 0 | 0 | 111.3 | F92 I196 Q241 Y242 S247 T248 I249 | F92-T245 HydrophobicContact CD1-CG2 4.49Å; F92-T245 HydrophobicContact CE1-CG2 3.6Å; F92-T245 HydrophobicContact CZ-CG2 3.83Å; I196-T245 HydrophobicContact CD1-CG2 4.2Å; Q241-T245 PolarHBondContact O-N 2.95Å; Q241-T245 PolarHBondContact O-OG1 3.43Å; Y242-T245 WeakPolarHBondContact O-CB 3.47Å; Y242-T245 PolarHBondContact O-N 3.23Å; T245-S247 VanDerWaalsContact C-N 3.34Å; T245-S247 PolarHBondContact O-N 3.08Å; T245-T248 PolarHBondContact O-N 3.4Å; T245-T248 PolarHBondContact O-OG1 3.47Å; T245-I249 HydrophobicContact CG2-CD1 4.13Å; T245-I249 WeakPolarHBondContact O-CG1 3.5Å; T245-I249 PolarHBondContact O-N 3.36Å |
| 246 | L | 86.9 | Confident | 83.7 | Confident | 4 Ų | 4 | 55.8 Ų | 55.8 | 2% | 0.021 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -64.2 | -38.2 | 177.4 | -170.4 | 64.5 | 0 | 0 | 0 | 112 | L193 Y242 I249 K250 V277 L280 E281 F284 | L193-L246 HydrophobicContact CD2-CD1 3.43Å; L193-L246 VanDerWaalsContact CD2-CD1 3.43Å; Y242-L246 PolarHBondContact O-N 3.09Å; L246-I249 PolarHBondContact O-N 3.23Å; L246-K250 WeakPolarHBondContact O-CB 3.29Å; L246-K250 PolarHBondContact O-N 2.9Å; L246-V277 HydrophobicContact CD1-CB 4.3Å; L246-V277 HydrophobicContact CD1-CG1 3.99Å; L246-V277 HydrophobicContact CD1-CG2 4.08Å; L246-V277 HydrophobicContact CG-CG1 4.24Å; L246-L280 HydrophobicContact CD1-CB 4.26Å; L246-L280 HydrophobicContact CD1-CD1 4.4Å; L246-L280 HydrophobicContact CD2-CB 3.82Å; L246-E281 HydrophobicContact CD2-CB 4.39Å; L246-E281 HydrophobicContact CD2-CG 3.7Å; L246-E281 HydrophobicContact CG-CG 4.43Å; L246-F284 HydrophobicContact CB-CE2 4.36Å; L246-F284 HydrophobicContact CD2-CD2 3.62Å; L246-F284 HydrophobicContact CD2-CE2 3.74Å |
| 247 | S | 85.5 | Confident | 83.2 | Confident | 60 Ų | 60 | 58.2 Ų | 58.2 | 42% | 0.42 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -63.7 | -41.7 | 175.8 | -60.8 | 0 | 0 | 0 | 0 | 112.5 | S243 K244 T245 K250 E251 | S243-S247 WeakPolarHBondContact O-CB 3.3Å; S243-S247 PolarHBondContact O-N 3.41Å; S243-S247 PolarHBondContact O-OG 3.21Å; K244-S247 PolarHBondContact O-N 3.02Å; T245-S247 VanDerWaalsContact C-N 3.34Å; T245-S247 PolarHBondContact O-N 3.08Å; S247-K250 WeakPolarHBondContact O-CB 3.27Å; S247-K250 PolarHBondContact O-N 3.33Å; S247-E251 WeakPolarHBondContact O-CG 3.48Å; S247-E251 PolarHBondContact O-N 3.47Å |
| 248 | T | 82.2 | Confident | 82.4 | Confident | 53 Ų | 53 | 58.8 Ų | 58.8 | 33% | 0.325 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -73.7 | -34 | 178 | 48.9 | 0 | 0 | 0 | 0 | 112.5 | F92 K244 T245 K250 L252 | F92-T248 WeakPolarHBondContact CE2-OG1 3.48Å; K244-T248 PolarHBondContact O-N 2.74Å; K244-T248 PolarHBondContact O-OG1 3.26Å; T245-T248 PolarHBondContact O-N 3.4Å; T245-T248 PolarHBondContact O-OG1 3.47Å; T248-K250 VanDerWaalsContact C-N 3.35Å; T248-L252 VanDerWaalsContact O-CB 3.3Å; T248-L252 WeakPolarHBondContact O-CB 3.39Å; T248-L252 PolarHBondContact O-N 3.32Å |
| 249 | I | 84.3 | Confident | 81.4 | Confident | 0 Ų | 0 | 58 Ų | 58 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.7 | -45.8 | 166.4 | -71 | 168.4 | 0 | 0 | 0 | 110.4 | F92 I189 D192 L193 T245 L246 L252 V253 V277 | F92-I249 HydrophobicContact CB-CG1 4.26Å; F92-I249 HydrophobicContact CD1-CD1 4.21Å; F92-I249 HydrophobicContact CD1-CG1 4.12Å; F92-I249 HydrophobicContact CD2-CD1 4.44Å; F92-I249 HydrophobicContact CD2-CG1 3.49Å; F92-I249 VanDerWaalsContact CD2-CG1 3.49Å; F92-I249 HydrophobicContact CE1-CG1 4.39Å; F92-I249 HydrophobicContact CE2-CG1 3.76Å; F92-I249 HydrophobicContact CG-CD1 4.19Å; F92-I249 HydrophobicContact CG-CG1 3.68Å; F92-I249 HydrophobicContact CZ-CG1 4.22Å; I189-I249 HydrophobicContact CG2-CG2 3.5Å; I189-I249 VanDerWaalsContact CG2-CG2 3.5Å; D192-I249 HydrophobicContact CB-CD1 4.42Å; L193-I249 HydrophobicContact CD2-CD1 4.14Å; L193-I249 HydrophobicContact CD2-CG2 4.22Å; T245-I249 HydrophobicContact CG2-CD1 4.13Å; T245-I249 WeakPolarHBondContact O-CG1 3.5Å; T245-I249 PolarHBondContact O-N 3.36Å; L246-I249 PolarHBondContact O-N 3.23Å; I249-L252 WeakPolarHBondContact O-CB 3.47Å; I249-L252 PolarHBondContact O-N 3.4Å; I249-V253 HydrophobicContact CG2-CG2 4.31Å; I249-V253 WeakPolarHBondContact O-CG2 3.4Å; I249-V253 PolarHBondContact O-N 2.91Å; I249-V277 HydrophobicContact CG2-CG2 4.02Å |
| 250 | K | 86.4 | Confident | 80.1 | Confident | 21 Ų | 21 | 58.4 Ų | 58.4 | 9% | 0.091 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -61.6 | -48.4 | 179.3 | -169.4 | 168 | -177.8 | 169.5 | 0 | 112.3 | L246 S247 T248 L252 V253 D254 V277 E281 Y754 | L246-K250 WeakPolarHBondContact O-CB 3.29Å; L246-K250 PolarHBondContact O-N 2.9Å; S247-K250 WeakPolarHBondContact O-CB 3.27Å; S247-K250 PolarHBondContact O-N 3.33Å; T248-K250 VanDerWaalsContact C-N 3.35Å; K250-L252 VanDerWaalsContact C-N 3.26Å; K250-L252 PolarHBondContact O-N 2.82Å; K250-V253 PolarHBondContact O-N 3.43Å; K250-D254 WeakPolarHBondContact O-CB 3.36Å; K250-D254 PolarHBondContact O-N 3.44Å; K250-V277 HydrophobicContact CB-CG1 3.82Å; K250-V277 HydrophobicContact CD-CG1 3.81Å; K250-V277 HydrophobicContact CG-CG1 3.88Å; K250-E281 WeakPolarHBondContact CD-OE1 3.36Å; K250-E281 IonicContact NZ-OE1 2.66Å; K250-E281 PolarHBondContact NZ-OE1 3.49Å; K250-E281 IonicContact NZ-OE2 3.77Å; K250-E281 PolarHBondContact NZ-OE2 2.88Å; K250-Y754 PolarHBondContact NZ-OH 2.92Å |
| 251 | E | 83.3 | Confident | 78.8 | Confident | 125 Ų | 125 | 60.7 Ų | 60.7 | 58% | 0.584 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -60.5 | -35.2 | 175.7 | -73 | -175.9 | 175.6 | 0 | 0 | 112.2 | S247 H255 | S247-E251 WeakPolarHBondContact O-CG 3.48Å; S247-E251 PolarHBondContact O-N 3.47Å; E251-H255 WeakPolarHBondContact O-CB 3.33Å; E251-H255 PolarHBondContact O-N 2.83Å |
| 252 | L | 81.4 | Confident | 77.7 | Confident | 16 Ų | 16 | 56.4 Ų | 56.4 | 8% | 0.084 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -69.9 | -42.9 | 175.4 | -178.1 | 58.4 | 0 | 0 | 0 | 112.5 | F92 L96 F185 I189 T248 I249 K250 H255 V256 | F92-L252 HydrophobicContact CD2-CD2 4.27Å; L96-L252 HydrophobicContact CD2-CB 4.44Å; L96-L252 HydrophobicContact CD2-CD1 4.09Å; L96-L252 HydrophobicContact CD2-CD2 4.09Å; L96-L252 HydrophobicContact CD2-CG 4.44Å; L96-L252 HydrophobicContact CG-CD2 4.27Å; F185-L252 HydrophobicContact CE2-CD1 4.38Å; F185-L252 HydrophobicContact CE2-CD2 3.91Å; F185-L252 HydrophobicContact CE2-CG 3.94Å; F185-L252 HydrophobicContact CZ-CG 4.16Å; I189-L252 HydrophobicContact CD1-CD2 4.35Å; T248-L252 VanDerWaalsContact O-CB 3.3Å; T248-L252 WeakPolarHBondContact O-CB 3.39Å; T248-L252 PolarHBondContact O-N 3.32Å; I249-L252 WeakPolarHBondContact O-CB 3.47Å; I249-L252 PolarHBondContact O-N 3.4Å; K250-L252 VanDerWaalsContact C-N 3.26Å; K250-L252 PolarHBondContact O-N 2.82Å; L252-H255 PolarHBondContact O-N 3.12Å; L252-V256 WeakPolarHBondContact O-CG2 3.21Å; L252-V256 PolarHBondContact O-N 2.97Å |
| 253 | V | 83.8 | Confident | 76.9 | Confident | 1 Ų | 1 | 58 Ų | 58 | 1% | 0.006 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -65.4 | -49.2 | 175.9 | 172.1 | 0 | 0 | 0 | 0 | 110.8 | I189 I249 K250 H255 V256 E257 L270 L273 | I189-V253 HydrophobicContact CD1-CG2 4.31Å; I249-V253 HydrophobicContact CG2-CG2 4.31Å; I249-V253 WeakPolarHBondContact O-CG2 3.4Å; I249-V253 PolarHBondContact O-N 2.91Å; K250-V253 PolarHBondContact O-N 3.43Å; V253-H255 VanDerWaalsContact C-N 3.27Å; V253-H255 PolarHBondContact O-N 3.36Å; V253-V256 PolarHBondContact O-N 3.37Å; V253-V256 VanDerWaalsContact O-N 3.1Å; V253-E257 PolarHBondContact O-N 3.33Å; V253-L270 HydrophobicContact CG1-CD2 4.41Å; V253-L273 HydrophobicContact CG2-CD2 3.83Å; V253-L273 HydrophobicContact CG2-CG 4.41Å |
| 254 | D | 81.7 | Confident | 76.4 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 31% | 0.305 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -56.4 | -41.9 | 174.4 | -76.8 | -12.6 | 0 | 0 | 0 | 110.9 | K250 V256 E257 L258 | K250-D254 WeakPolarHBondContact O-CB 3.36Å; K250-D254 PolarHBondContact O-N 3.44Å; D254-V256 PolarHBondContact O-N 3.1Å; D254-E257 PolarHBondContact O-N 3.07Å; D254-L258 WeakPolarHBondContact O-CB 3.48Å; D254-L258 VanDerWaalsContact O-CG 3.29Å; D254-L258 WeakPolarHBondContact O-CG 3.4Å; D254-L258 PolarHBondContact O-N 3.42Å |
| 255 | H | 78.8 | Confident | 76.3 | Confident | 116 Ų | 116 | 62.9 Ų | 62.9 | 54% | 0.537 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -68.2 | -32 | 178.4 | -163.8 | 86.6 | 0 | 0 | 0 | 112.9 | E251 L252 V253 N259 | E251-H255 WeakPolarHBondContact O-CB 3.33Å; E251-H255 PolarHBondContact O-N 2.83Å; L252-H255 PolarHBondContact O-N 3.12Å; V253-H255 VanDerWaalsContact C-N 3.27Å; V253-H255 PolarHBondContact O-N 3.36Å; H255-N259 PolarHBondContact CD2-ND2 3.35Å; H255-N259 VanDerWaalsContact CD2-ND2 3.31Å; H255-N259 PolarHBondContact NE2-ND2 2.97Å; H255-N259 VanDerWaalsContact NE2-ND2 3.12Å; H255-N259 VanDerWaalsContact O-CB 3.29Å; H255-N259 WeakPolarHBondContact O-CB 3.24Å; H255-N259 PolarHBondContact O-ND2 2.96Å |
| 256 | V | 77.7 | Confident | 76.3 | Confident | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.012 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -75.5 | -44.3 | 173.4 | 174.6 | 0 | 0 | 0 | 0 | 110.6 | P178 F179 F185 L252 V253 D254 L258 N259 T260 F266 L270 | P178-V256 HydrophobicContact CB-CG2 4.21Å; P178-V256 HydrophobicContact CG-CG2 3.94Å; F179-V256 HydrophobicContact CE1-CG1 4.08Å; F179-V256 HydrophobicContact CZ-CG1 4.43Å; F179-V256 HydrophobicContact CZ-CG2 4.37Å; F185-V256 HydrophobicContact CE1-CG1 4.43Å; F185-V256 HydrophobicContact CE1-CG2 4.23Å; F185-V256 HydrophobicContact CZ-CB 4.47Å; F185-V256 HydrophobicContact CZ-CG2 3.82Å; L252-V256 WeakPolarHBondContact O-CG2 3.21Å; L252-V256 PolarHBondContact O-N 2.97Å; V253-V256 PolarHBondContact O-N 3.37Å; V253-V256 VanDerWaalsContact O-N 3.1Å; D254-V256 PolarHBondContact O-N 3.1Å; V256-L258 PolarHBondContact O-N 3.38Å; V256-N259 CarbonylContact O-C 3.54Å; V256-N259 WeakPolarHBondContact O-CA 3.21Å; V256-N259 PolarHBondContact O-N 3.13Å; V256-T260 HydrophobicContact CG1-CG2 3.93Å; V256-T260 WeakPolarHBondContact O-CG2 3.39Å; V256-T260 PolarHBondContact O-N 2.9Å; V256-F266 HydrophobicContact CG1-CE1 3.8Å; V256-F266 HydrophobicContact CG1-CZ 4.09Å; V256-L270 HydrophobicContact CB-CD2 4.45Å; V256-L270 HydrophobicContact CG1-CD1 3.85Å; V256-L270 HydrophobicContact CG1-CD2 4.06Å |
| 257 | E | 76.6 | Confident | 75.9 | Confident | 77 Ų | 77 | 65.2 Ų | 65.2 | 36% | 0.36 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -55.6 | -52.9 | 178.1 | -168.2 | 178.4 | 170.7 | 0 | 0 | 111 | V253 D254 N259 T260 | V253-E257 PolarHBondContact O-N 3.33Å; D254-E257 PolarHBondContact O-N 3.07Å; E257-N259 PolarHBondContact O-N 3.09Å; E257-T260 PolarHBondContact O-N 2.82Å; E257-T260 PolarHBondContact O-OG1 3.22Å |
| 258 | L | 68.8 | Low | 75.8 | Confident | 151 Ų | 151 | 66.9 Ų | 66.9 | 79% | 0.791 | 34% | 0.343 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.2 | -18.4 | 175.3 | -73.5 | 169.3 | 0 | 0 | 0 | 114.6 | D254 V256 | D254-L258 WeakPolarHBondContact O-CB 3.48Å; D254-L258 VanDerWaalsContact O-CG 3.29Å; D254-L258 WeakPolarHBondContact O-CG 3.4Å; D254-L258 PolarHBondContact O-N 3.42Å; V256-L258 PolarHBondContact O-N 3.38Å |
| 259 | N | 65.4 | Low | 75.9 | Confident | 34 Ų | 34 | 67.5 Ų | 67.5 | 18% | 0.182 | 34% | 0.344 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.7 | 0.8 | -176.1 | -86.5 | -60.9 | 0 | 0 | 0 | 114.3 | F179 H255 V256 E257 R621 | F179-N259 HydrophobicContact CE1-CB 4.18Å; F179-N259 HydrophobicContact CZ-CB 3.71Å; H255-N259 PolarHBondContact CD2-ND2 3.35Å; H255-N259 VanDerWaalsContact CD2-ND2 3.31Å; H255-N259 PolarHBondContact NE2-ND2 2.97Å; H255-N259 VanDerWaalsContact NE2-ND2 3.12Å; H255-N259 VanDerWaalsContact O-CB 3.29Å; H255-N259 WeakPolarHBondContact O-CB 3.24Å; H255-N259 PolarHBondContact O-ND2 2.96Å; V256-N259 CarbonylContact O-C 3.54Å; V256-N259 WeakPolarHBondContact O-CA 3.21Å; V256-N259 PolarHBondContact O-N 3.13Å; E257-N259 PolarHBondContact O-N 3.09Å; N259-R621 PolarHBondContact O-NH1 3.17Å; N259-R621 PolarHBondContact O-NH2 3.27Å; N259-R621 VanDerWaalsContact O-NH2 3.08Å; N259-R621 PolarHBondContact OD1-NE 3.11Å; N259-R621 PolarHBondContact OD1-NH1 3.04Å; N259-R621 PolarHBondContact OD1-NH2 3.24Å |
| 260 | T | 59.6 | Low | 75.9 | Confident | 16 Ų | 16 | 67.5 Ų | 67.5 | 10% | 0.098 | 34% | 0.344 | C | S | . | . | trans | -90.7 | 119.2 | -178.1 | 48.9 | 0 | 0 | 0 | 0 | 113.2 | F179 V256 E257 A262 F266 Q267 L270 | F179-T260 HydrophobicContact CE1-CG2 4.19Å; V256-T260 HydrophobicContact CG1-CG2 3.93Å; V256-T260 WeakPolarHBondContact O-CG2 3.39Å; V256-T260 PolarHBondContact O-N 2.9Å; E257-T260 PolarHBondContact O-N 2.82Å; E257-T260 PolarHBondContact O-OG1 3.22Å; T260-A262 VanDerWaalsContact C-N 3.26Å; T260-A262 HydrophobicContact CG2-CB 3.69Å; T260-F266 HydrophobicContact CG2-CD1 3.88Å; T260-F266 HydrophobicContact CG2-CE1 3.73Å; T260-Q267 PolarHBondContact O-NE2 2.85Å; T260-Q267 PolarHBondContact OG1-NE2 3.32Å; T260-Q267 VanDerWaalsContact OG1-NE2 3.1Å; T260-L270 HydrophobicContact CG2-CD1 4.11Å | ||
| 261 | L | 56.2 | Low | 75.7 | Confident | 152 Ų | 152 | 71.7 Ų | 71.7 | 80% | 0.796 | 36% | 0.364 | S | S | * | . | trans | -102.7 | 41.6 | 149.5 | -164 | 91.9 | 0 | 0 | 0 | 108.2 | Y618 | L261-Y618 WeakPolarHBondContact CD1-OH 3.45Š| ||
| 262 | A | 59.3 | Low | 75.9 | Confident | 31 Ų | 31 | 70.1 Ų | 70.1 | 26% | 0.256 | 36% | 0.359 | S | S | . | . | trans | -95.5 | 178.9 | -167.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | T260 F266 | T260-A262 VanDerWaalsContact C-N 3.26Å; T260-A262 HydrophobicContact CG2-CB 3.69Å; A262-F266 HydrophobicContact CB-CD1 3.88Å | ||
| 263 | D | 67.4 | Low | 76.1 | Confident | 112 Ų | 112 | 69.9 Ų | 69.9 | 60% | 0.599 | 36% | 0.358 | S | S | * | . | trans | -61.2 | 146.9 | -176.3 | -151.2 | -36.1 | 0 | 0 | 0 | 112.1 | Q265 F266 Q267 | D263-Q265 PolarHBondContact O-N 2.9Å; D263-F266 WeakPolarHBondContact O-CA 3.36Å; D263-F266 WeakPolarHBondContact O-CB 3.25Å; D263-F266 PolarHBondContact O-N 2.97Å; D263-Q267 PolarHBondContact O-N 3.47Å | ||
| 264 | I | 75.9 | Confident | 76.3 | Confident | 118 Ų | 118 | 70.3 Ų | 70.3 | 61% | 0.605 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -59.5 | -34.9 | -178.4 | -60.4 | 174.4 | 0 | 0 | 0 | 110 | Q267 N268 | I264-Q267 PolarHBondContact O-N 3.48Å; I264-N268 WeakPolarHBondContact O-CB 3.5Å; I264-N268 PolarHBondContact O-N 3.4Å; I264-N268 PolarHBondContact O-ND2 2.86Å |
| 265 | Q | 79.8 | Confident | 76.6 | Confident | 139 Ų | 139 | 74.5 Ų | 74.5 | 65% | 0.65 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.5 | -37.9 | 174.8 | -173.8 | 173.5 | -8.8 | 0 | 0 | 112.5 | D263 N269 | D263-Q265 PolarHBondContact O-N 2.9Å; Q265-N269 WeakPolarHBondContact O-CB 3.43Å; Q265-N269 VanDerWaalsContact O-CG 3.22Å; Q265-N269 PolarHBondContact O-N 3.34Å; Q265-N269 VanDerWaalsContact O-N 3.09Å; Q265-N269 PolarHBondContact O-OD1 3.23Å |
| 266 | F | 81 | Confident | 77.1 | Confident | 10 Ų | 10 | 71.4 Ų | 71.4 | 4% | 0.044 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -70.7 | -40.6 | 176.5 | -172.3 | -113.6 | 0 | 0 | 0 | 111.1 | Q182 F185 L186 V256 T260 A262 D263 N269 L270 | Q182-F266 HydrophobicContact CB-CD2 3.85Å; Q182-F266 HydrophobicContact CB-CE2 3.56Å; Q182-F266 HydrophobicContact CB-CZ 4.14Å; Q182-F266 HydrophobicContact CG-CD2 4.16Å; Q182-F266 HydrophobicContact CG-CE1 4.32Å; Q182-F266 HydrophobicContact CG-CE2 3.8Å; Q182-F266 HydrophobicContact CG-CZ 3.88Å; F185-F266 HydrophobicContact CD1-CE2 4.39Å; F185-F266 HydrophobicContact CD1-CZ 4.15Å; F185-F266 HydrophobicContact CE1-CZ 4.48Å; L186-F266 HydrophobicContact CD1-CD2 3.72Å; L186-F266 HydrophobicContact CD1-CE2 3.83Å; L186-F266 HydrophobicContact CD2-CE2 4.24Å; L186-F266 HydrophobicContact CG-CD2 4.3Å; L186-F266 HydrophobicContact CG-CE2 3.88Å; V256-F266 HydrophobicContact CG1-CE1 3.8Å; V256-F266 HydrophobicContact CG1-CZ 4.09Å; T260-F266 HydrophobicContact CG2-CD1 3.88Å; T260-F266 HydrophobicContact CG2-CE1 3.73Å; A262-F266 HydrophobicContact CB-CD1 3.88Å; D263-F266 WeakPolarHBondContact O-CA 3.36Å; D263-F266 WeakPolarHBondContact O-CB 3.25Å; D263-F266 PolarHBondContact O-N 2.97Å; F266-N269 PolarHBondContact O-N 3.23Å; F266-L270 HydrophobicContact CD1-CD1 3.76Å; F266-L270 HydrophobicContact CD1-CG 4.39Å; F266-L270 HydrophobicContact CE1-CD1 3.6Å; F266-L270 HydrophobicContact CE1-CG 4.2Å; F266-L270 HydrophobicContact CZ-CD1 4.21Å; F266-L270 HydrophobicContact CZ-CD2 4.37Å; F266-L270 HydrophobicContact CZ-CG 4.36Å; F266-L270 WeakPolarHBondContact O-CG 3.46Å; F266-L270 PolarHBondContact O-N 2.7Å |
| 267 | Q | 78.9 | Confident | 77.6 | Confident | 79 Ų | 79 | 71.3 Ų | 71.3 | 37% | 0.369 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -65.5 | -40.9 | 175.6 | -67.1 | -167.6 | -40.3 | 0 | 0 | 112.7 | T260 D263 I264 N269 L270 H271 | T260-Q267 PolarHBondContact O-NE2 2.85Å; T260-Q267 PolarHBondContact OG1-NE2 3.32Å; T260-Q267 VanDerWaalsContact OG1-NE2 3.1Å; D263-Q267 PolarHBondContact O-N 3.47Å; I264-Q267 PolarHBondContact O-N 3.48Å; Q267-N269 VanDerWaalsContact C-N 3.34Å; Q267-N269 PolarHBondContact O-N 3.03Å; Q267-L270 PolarHBondContact O-N 2.86Å; Q267-H271 WeakPolarHBondContact O-CB 3.25Å; Q267-H271 PolarHBondContact O-N 2.85Å |
| 268 | N | 83.3 | Confident | 78.1 | Confident | 94 Ų | 94 | 69.2 Ų | 69.2 | 50% | 0.503 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.1 | -41.4 | 173.8 | -71.6 | -11.2 | 0 | 0 | 0 | 111.7 | I264 H271 N272 | I264-N268 WeakPolarHBondContact O-CB 3.5Å; I264-N268 PolarHBondContact O-N 3.4Å; I264-N268 PolarHBondContact O-ND2 2.86Å; N268-H271 PolarHBondContact O-N 3.45Å; N268-N272 VanDerWaalsContact O-CG 3.3Å; N268-N272 PolarHBondContact O-N 2.86Å; N268-N272 PolarHBondContact O-ND2 3.48Å |
| 269 | N | 84.1 | Confident | 79 | Confident | 66 Ų | 66 | 65.6 Ų | 65.6 | 35% | 0.353 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -66.9 | -41.6 | 176.8 | -72.4 | -1.4 | 0 | 0 | 0 | 112 | L186 Q265 F266 Q267 H271 N272 L273 | L186-N269 HydrophobicContact CD1-CB 3.6Å; L186-N269 HydrophobicContact CD2-CB 4.15Å; Q265-N269 WeakPolarHBondContact O-CB 3.43Å; Q265-N269 VanDerWaalsContact O-CG 3.22Å; Q265-N269 PolarHBondContact O-N 3.34Å; Q265-N269 VanDerWaalsContact O-N 3.09Å; Q265-N269 PolarHBondContact O-OD1 3.23Å; F266-N269 PolarHBondContact O-N 3.23Å; Q267-N269 VanDerWaalsContact C-N 3.34Å; Q267-N269 PolarHBondContact O-N 3.03Å; N269-H271 VanDerWaalsContact C-N 3.35Å; N269-H271 PolarHBondContact O-N 3.42Å; N269-N272 PolarHBondContact O-N 3.07Å; N269-L273 WeakPolarHBondContact O-CB 3.31Å; N269-L273 PolarHBondContact O-N 3.43Å |
| 270 | L | 84.2 | Confident | 80.2 | Confident | 1 Ų | 1 | 64.2 Ų | 64.2 | 1% | 0.005 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -60 | -42.4 | 172.6 | -74.7 | 169.2 | 0 | 0 | 0 | 112.1 | F185 L186 V253 V256 T260 F266 Q267 L273 S274 | F185-L270 HydrophobicContact CE1-CD2 4Å; L186-L270 HydrophobicContact CD2-CD2 4.27Å; V253-L270 HydrophobicContact CG1-CD2 4.41Å; V256-L270 HydrophobicContact CB-CD2 4.45Å; V256-L270 HydrophobicContact CG1-CD1 3.85Å; V256-L270 HydrophobicContact CG1-CD2 4.06Å; T260-L270 HydrophobicContact CG2-CD1 4.11Å; F266-L270 HydrophobicContact CD1-CD1 3.76Å; F266-L270 HydrophobicContact CD1-CG 4.39Å; F266-L270 HydrophobicContact CE1-CD1 3.6Å; F266-L270 HydrophobicContact CE1-CG 4.2Å; F266-L270 HydrophobicContact CZ-CD1 4.21Å; F266-L270 HydrophobicContact CZ-CD2 4.37Å; F266-L270 HydrophobicContact CZ-CG 4.36Å; F266-L270 WeakPolarHBondContact O-CG 3.46Å; F266-L270 PolarHBondContact O-N 2.7Å; Q267-L270 PolarHBondContact O-N 2.86Å; L270-L273 WeakPolarHBondContact O-CB 3.41Å; L270-L273 PolarHBondContact O-N 2.93Å; L270-S274 WeakPolarHBondContact O-CB 3.33Å; L270-S274 PolarHBondContact O-N 2.82Å |
| 271 | H | 83.7 | Confident | 81.5 | Confident | 108 Ų | 108 | 65.1 Ų | 65.1 | 50% | 0.5 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -65.7 | -39.1 | 178.1 | -174.4 | -80.2 | 0 | 0 | 0 | 111.9 | Q267 N268 N269 R275 | Q267-H271 WeakPolarHBondContact O-CB 3.25Å; Q267-H271 PolarHBondContact O-N 2.85Å; N268-H271 PolarHBondContact O-N 3.45Å; N269-H271 VanDerWaalsContact C-N 3.35Å; N269-H271 PolarHBondContact O-N 3.42Å; H271-R275 WeakPolarHBondContact O-CB 3.48Å; H271-R275 PolarHBondContact O-N 2.88Å |
| 272 | N | 85.8 | Confident | 83 | Confident | 92 Ų | 92 | 58.3 Ų | 58.3 | 49% | 0.492 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -63.8 | -42.1 | 172.2 | -69.4 | -17.6 | 0 | 0 | 0 | 111.6 | N268 N269 R275 S276 | N268-N272 VanDerWaalsContact O-CG 3.3Å; N268-N272 PolarHBondContact O-N 2.86Å; N268-N272 PolarHBondContact O-ND2 3.48Å; N269-N272 PolarHBondContact O-N 3.07Å; N272-R275 WeakPolarHBondContact O-CB 3.38Å; N272-R275 PolarHBondContact O-N 3.44Å; N272-S276 PolarHBondContact O-N 2.9Å; N272-S276 PolarHBondContact O-OG 3.28Å |
| 273 | L | 86.8 | Confident | 84.4 | Confident | 11 Ų | 11 | 59.5 Ų | 59.5 | 6% | 0.058 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -63.8 | -44.3 | 177.4 | -160.7 | 70.3 | 0 | 0 | 0 | 111.7 | L186 I189 D190 L193 V253 N269 L270 R275 S276 V277 | L186-L273 HydrophobicContact CD2-CD2 4.01Å; I189-L273 HydrophobicContact CB-CD1 4.46Å; I189-L273 HydrophobicContact CB-CD2 4.06Å; I189-L273 HydrophobicContact CD1-CD2 4.3Å; I189-L273 HydrophobicContact CG2-CD1 3.99Å; I189-L273 HydrophobicContact CG2-CD2 3.8Å; I189-L273 HydrophobicContact CG2-CG 4.07Å; D190-L273 HydrophobicContact CB-CD1 4.32Å; L193-L273 HydrophobicContact CD1-CD1 3.67Å; L193-L273 HydrophobicContact CD1-CG 4.12Å; V253-L273 HydrophobicContact CG2-CD2 3.83Å; V253-L273 HydrophobicContact CG2-CG 4.41Å; N269-L273 WeakPolarHBondContact O-CB 3.31Å; N269-L273 PolarHBondContact O-N 3.43Å; L270-L273 WeakPolarHBondContact O-CB 3.41Å; L270-L273 PolarHBondContact O-N 2.93Å; L273-R275 VanDerWaalsContact C-N 3.31Å; L273-R275 PolarHBondContact O-N 3.08Å; L273-S276 PolarHBondContact O-N 3.39Å; L273-V277 WeakPolarHBondContact O-CG2 3.43Å; L273-V277 PolarHBondContact O-N 3.43Å |
| 274 | S | 87.4 | Confident | 85.4 | Confident | 10 Ų | 10 | 54.6 Ų | 54.6 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -61.3 | -37.7 | 174.3 | -173.7 | 0 | 0 | 0 | 0 | 112 | L270 V277 C278 | L270-S274 WeakPolarHBondContact O-CB 3.33Å; L270-S274 PolarHBondContact O-N 2.82Å; S274-V277 PolarHBondContact O-N 3.01Å; S274-C278 PolarHBondContact O-N 3.37Å; S274-C278 VanDerWaalsContact O-N 3.09Å; S274-C278 PolarHBondContact O-SG 2.88Å |
| 275 | R | 88.3 | Confident | 85.8 | Confident | 146 Ų | 146 | 52.5 Ų | 52.5 | 55% | 0.551 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -63.9 | -49.7 | 171.7 | 178.9 | 179.5 | 174.6 | 127.5 | 18 | 111.8 | H271 N272 L273 V277 C278 E279 | H271-R275 WeakPolarHBondContact O-CB 3.48Å; H271-R275 PolarHBondContact O-N 2.88Å; N272-R275 WeakPolarHBondContact O-CB 3.38Å; N272-R275 PolarHBondContact O-N 3.44Å; L273-R275 VanDerWaalsContact C-N 3.31Å; L273-R275 PolarHBondContact O-N 3.08Å; R275-V277 VanDerWaalsContact C-N 3.27Å; R275-V277 PolarHBondContact O-N 2.73Å; R275-C278 PolarHBondContact O-N 3.08Å; R275-E279 HydrophobicContact CG-CG 4.45Å; R275-E279 IonicContact CZ-OE1 3.08Å; R275-E279 VanDerWaalsContact CZ-OE1 3.29Å; R275-E279 IonicContact NE-OE1 2.75Å; R275-E279 PolarHBondContact NE-OE1 2.82Å; R275-E279 IonicContact NH2-OE1 3.7Å; R275-E279 PolarHBondContact NH2-OE1 3.18Å; R275-E279 WeakPolarHBondContact O-CG 3.28Å; R275-E279 PolarHBondContact O-N 3.32Å |
| 276 | S | 88.7 | Confident | 86.2 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 35% | 0.35 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -62.5 | -33.6 | 177.4 | -61.7 | 0 | 0 | 0 | 0 | 112.7 | N272 L273 E279 L280 | N272-S276 PolarHBondContact O-N 2.9Å; N272-S276 PolarHBondContact O-OG 3.28Å; L273-S276 PolarHBondContact O-N 3.39Å; S276-E279 PolarHBondContact O-N 3.35Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 WeakPolarHBondContact O-CG 3.34Å; S276-L280 PolarHBondContact O-N 3.41Å |
| 277 | V | 89.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 49.7 Ų | 49.7 | 1% | 0.006 | 25% | 0.25 | C | C | . | . | H | α-helix | trans | -60.2 | -45.4 | 169.6 | 166.2 | 0 | 0 | 0 | 0 | 111.4 | L193 L246 I249 K250 L273 S274 R275 L280 E281 | L193-V277 HydrophobicContact CD1-CG2 3.78Å; L193-V277 HydrophobicContact CD2-CG2 3.93Å; L246-V277 HydrophobicContact CD1-CB 4.3Å; L246-V277 HydrophobicContact CD1-CG1 3.99Å; L246-V277 HydrophobicContact CD1-CG2 4.08Å; L246-V277 HydrophobicContact CG-CG1 4.24Å; I249-V277 HydrophobicContact CG2-CG2 4.02Å; K250-V277 HydrophobicContact CB-CG1 3.82Å; K250-V277 HydrophobicContact CD-CG1 3.81Å; K250-V277 HydrophobicContact CG-CG1 3.88Å; L273-V277 WeakPolarHBondContact O-CG2 3.43Å; L273-V277 PolarHBondContact O-N 3.43Å; S274-V277 PolarHBondContact O-N 3.01Å; R275-V277 VanDerWaalsContact C-N 3.27Å; R275-V277 PolarHBondContact O-N 2.73Å; V277-L280 PolarHBondContact O-N 3.46Å; V277-E281 WeakPolarHBondContact O-CG 3.4Å; V277-E281 PolarHBondContact O-N 3.36Å |
| 278 | C | 86.7 | Confident | 87.1 | Confident | 32 Ų | 32 | 48.8 Ų | 48.8 | 22% | 0.216 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -69.6 | -35.7 | 178.3 | -63.5 | 0 | 0 | 0 | 0 | 113.2 | S274 R275 L280 E281 A282 | S274-C278 PolarHBondContact O-N 3.37Å; S274-C278 VanDerWaalsContact O-N 3.09Å; S274-C278 PolarHBondContact O-SG 2.88Å; R275-C278 PolarHBondContact O-N 3.08Å; C278-L280 VanDerWaalsContact C-N 3.32Å; C278-E281 PolarHBondContact O-N 3.25Å; C278-A282 PolarHBondContact O-N 2.94Å; C278-A282 VanDerWaalsContact O-N 3.09Å |
| 279 | E | 88.5 | Confident | 87.3 | Confident | 75 Ų | 75 | 49.2 Ų | 49.2 | 35% | 0.35 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -65.8 | -36 | 173.9 | -71 | 169.4 | 170.9 | 0 | 0 | 110.8 | R275 S276 K283 | R275-E279 HydrophobicContact CG-CG 4.45Å; R275-E279 IonicContact CZ-OE1 3.08Å; R275-E279 VanDerWaalsContact CZ-OE1 3.29Å; R275-E279 IonicContact NE-OE1 2.75Å; R275-E279 PolarHBondContact NE-OE1 2.82Å; R275-E279 IonicContact NH2-OE1 3.7Å; R275-E279 PolarHBondContact NH2-OE1 3.18Å; R275-E279 WeakPolarHBondContact O-CG 3.28Å; R275-E279 PolarHBondContact O-N 3.32Å; S276-E279 PolarHBondContact O-N 3.35Å; E279-K283 PolarHBondContact O-N 3.38Å; E279-K283 VanDerWaalsContact O-N 3.12Å |
| 280 | L | 89.1 | Confident | 87.3 | Confident | 5 Ų | 5 | 47.4 Ų | 47.4 | 3% | 0.026 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -70.3 | -41.2 | 171.6 | -80.8 | 166 | 0 | 0 | 0 | 113.5 | L193 I196 D197 L200 L246 S276 V277 C278 A282 K283 F284 | L193-L280 HydrophobicContact CB-CD1 3.82Å; L193-L280 HydrophobicContact CD2-CD1 3.7Å; L193-L280 HydrophobicContact CG-CD1 4.24Å; I196-L280 HydrophobicContact CG2-CD2 4.16Å; D197-L280 HydrophobicContact CB-CD2 3.85Å; D197-L280 VanDerWaalsContact OD1-CD2 3.25Å; D197-L280 WeakPolarHBondContact OD1-CD2 3.5Å; L200-L280 HydrophobicContact CD1-CD2 3.74Å; L246-L280 HydrophobicContact CD1-CB 4.26Å; L246-L280 HydrophobicContact CD1-CD1 4.4Å; L246-L280 HydrophobicContact CD2-CB 3.82Å; S276-L280 WeakPolarHBondContact O-CB 3.46Å; S276-L280 WeakPolarHBondContact O-CG 3.34Å; S276-L280 PolarHBondContact O-N 3.41Å; V277-L280 PolarHBondContact O-N 3.46Å; C278-L280 VanDerWaalsContact C-N 3.32Å; L280-A282 VanDerWaalsContact C-N 3.25Å; L280-A282 PolarHBondContact O-N 3.5Å; L280-K283 PolarHBondContact O-N 3.46Å; L280-F284 VanDerWaalsContact O-CD2 3.26Å; L280-F284 WeakPolarHBondContact O-CD2 3.4Å; L280-F284 PolarHBondContact O-N 3.41Å |
| 281 | E | 88 | Confident | 87.6 | Confident | 35 Ų | 35 | 47.4 Ų | 47.4 | 16% | 0.164 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -55.7 | -43 | 172.5 | -76.8 | 176 | 141.1 | 0 | 0 | 110.9 | L246 K250 V277 C278 F284 H285 | L246-E281 HydrophobicContact CD2-CB 4.39Å; L246-E281 HydrophobicContact CD2-CG 3.7Å; L246-E281 HydrophobicContact CG-CG 4.43Å; K250-E281 WeakPolarHBondContact CD-OE1 3.36Å; K250-E281 IonicContact NZ-OE1 2.66Å; K250-E281 PolarHBondContact NZ-OE1 3.49Å; K250-E281 IonicContact NZ-OE2 3.77Å; K250-E281 PolarHBondContact NZ-OE2 2.88Å; V277-E281 WeakPolarHBondContact O-CG 3.4Å; V277-E281 PolarHBondContact O-N 3.36Å; C278-E281 PolarHBondContact O-N 3.25Å; E281-F284 WeakPolarHBondContact O-CB 3.5Å; E281-F284 PolarHBondContact O-N 3.27Å; E281-H285 PolarHBondContact O-CD2 2.85Å; E281-H285 PolarHBondContact O-N 3.42Å |
| 282 | A | 87.2 | Confident | 87.7 | Confident | 9 Ų | 9 | 43.2 Ų | 43.2 | 7% | 0.074 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | C278 L280 F284 H285 T286 L766 | C278-A282 PolarHBondContact O-N 2.94Å; C278-A282 VanDerWaalsContact O-N 3.09Å; L280-A282 VanDerWaalsContact C-N 3.25Å; L280-A282 PolarHBondContact O-N 3.5Å; A282-F284 VanDerWaalsContact C-N 3.32Å; A282-F284 PolarHBondContact O-N 3.05Å; A282-H285 PolarHBondContact O-N 3.38Å; A282-T286 PolarHBondContact O-N 3.01Å; A282-T286 PolarHBondContact O-OG1 3.45Å; A282-L766 HydrophobicContact CB-CD2 3.79Å |
| 283 | K | 88.6 | Confident | 87.8 | Confident | 56 Ų | 56 | 41 Ų | 41 | 24% | 0.243 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57 | -43.4 | 174.3 | -75.5 | -172.3 | 176.7 | -173 | 0 | 112.3 | D197 L200 N201 E279 L280 T286 L287 | D197-K283 WeakPolarHBondContact OD1-CD 3.37Å; D197-K283 WeakPolarHBondContact OD1-CE 3.31Å; D197-K283 IonicContact OD1-NZ 2.64Å; D197-K283 PolarHBondContact OD1-NZ 3.3Å; D197-K283 IonicContact OD2-NZ 3.04Å; D197-K283 PolarHBondContact OD2-NZ 3.01Å; L200-K283 HydrophobicContact CD1-CB 4.03Å; N201-K283 PolarHBondContact OD1-NZ 3.19Å; E279-K283 PolarHBondContact O-N 3.38Å; E279-K283 VanDerWaalsContact O-N 3.12Å; L280-K283 PolarHBondContact O-N 3.46Å; K283-T286 PolarHBondContact O-N 2.85Å; K283-L287 WeakPolarHBondContact O-CB 3.38Å; K283-L287 PolarHBondContact O-N 3.1Å |
| 284 | F | 88.1 | Confident | 87.7 | Confident | 9 Ų | 9 | 40.5 Ų | 40.5 | 4% | 0.039 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -58 | -49.7 | 176 | -91.1 | -65.9 | 0 | 0 | 0 | 112.3 | I196 W199 L200 I239 Y242 L246 L280 E281 A282 L287 W288 | I196-F284 HydrophobicContact CG2-CE2 3.55Å; I196-F284 HydrophobicContact CG2-CZ 3.54Å; W199-F284 HydrophobicContact CZ3-CE1 4.24Å; L200-F284 HydrophobicContact CD1-CD1 4.3Å; L200-F284 HydrophobicContact CD1-CD2 3.9Å; L200-F284 HydrophobicContact CD1-CE1 4.2Å; L200-F284 HydrophobicContact CD1-CE2 3.76Å; L200-F284 HydrophobicContact CD1-CG 4.14Å; L200-F284 HydrophobicContact CD1-CZ 3.89Å; L200-F284 HydrophobicContact CD2-CD1 3.76Å; L200-F284 HydrophobicContact CD2-CE1 3.64Å; L200-F284 HydrophobicContact CD2-CG 4.34Å; L200-F284 HydrophobicContact CD2-CZ 4.1Å; L200-F284 HydrophobicContact CG-CE1 4.25Å; L200-F284 HydrophobicContact CG-CZ 4.2Å; I239-F284 HydrophobicContact CB-CD1 4.46Å; I239-F284 HydrophobicContact CG1-CD1 4.27Å; I239-F284 HydrophobicContact CG1-CE1 4.37Å; I239-F284 HydrophobicContact CG2-CD1 3.98Å; I239-F284 HydrophobicContact CG2-CE1 4.47Å; Y242-F284 VanDerWaalsContact CB-CZ 3.47Å; L246-F284 HydrophobicContact CB-CE2 4.36Å; L246-F284 HydrophobicContact CD2-CD2 3.62Å; L246-F284 HydrophobicContact CD2-CE2 3.74Å; L280-F284 VanDerWaalsContact O-CD2 3.26Å; L280-F284 WeakPolarHBondContact O-CD2 3.4Å; L280-F284 PolarHBondContact O-N 3.41Å; E281-F284 WeakPolarHBondContact O-CB 3.5Å; E281-F284 PolarHBondContact O-N 3.27Å; A282-F284 VanDerWaalsContact C-N 3.32Å; A282-F284 PolarHBondContact O-N 3.05Å; F284-L287 PolarHBondContact O-N 3.02Å; F284-W288 WeakPolarHBondContact O-CB 3.44Å; F284-W288 PolarHBondContact O-N 3.01Å |
| 285 | H | 85.4 | Confident | 87.7 | Confident | 75 Ų | 75 | 41.1 Ų | 41.1 | 35% | 0.347 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -62.4 | -44 | -179.9 | -75 | -59.6 | 0 | 0 | 0 | 112 | E281 A282 W288 L289 | E281-H285 PolarHBondContact O-CD2 2.85Å; E281-H285 PolarHBondContact O-N 3.42Å; A282-H285 PolarHBondContact O-N 3.38Å; H285-W288 PolarHBondContact O-N 2.93Å; H285-L289 WeakPolarHBondContact O-CB 3.46Å; H285-L289 WeakPolarHBondContact O-CG 3.43Å; H285-L289 PolarHBondContact O-N 3.45Å |
| 286 | T | 88 | Confident | 87.4 | Confident | 71 Ų | 71 | 36.9 Ų | 36.9 | 44% | 0.436 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -61.8 | -47.2 | 177.5 | -58.9 | 0 | 0 | 0 | 0 | 112 | A282 K283 R290 | A282-T286 PolarHBondContact O-N 3.01Å; A282-T286 PolarHBondContact O-OG1 3.45Å; K283-T286 PolarHBondContact O-N 2.85Å; T286-R290 WeakPolarHBondContact O-CB 3.46Å; T286-R290 PolarHBondContact O-N 3Å |
| 287 | L | 88.6 | Confident | 87.2 | Confident | 18 Ų | 18 | 35.9 Ų | 35.9 | 9% | 0.094 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.3 | -35.1 | 179.4 | -76.5 | 163 | 0 | 0 | 0 | 112.8 | L200 A204 L207 I239 K283 F284 R290 L291 | L200-L287 HydrophobicContact CB-CD1 3.95Å; L200-L287 HydrophobicContact CD2-CD1 3.7Å; L200-L287 HydrophobicContact CG-CD1 4.37Å; L200-L287 WeakPolarHBondContact O-CD1 3.25Å; A204-L287 HydrophobicContact CB-CD1 4.39Å; A204-L287 HydrophobicContact CB-CD2 3.8Å; L207-L287 HydrophobicContact CD1-CD2 3.79Å; I239-L287 HydrophobicContact CD1-CB 4.29Å; K283-L287 WeakPolarHBondContact O-CB 3.38Å; K283-L287 PolarHBondContact O-N 3.1Å; F284-L287 PolarHBondContact O-N 3.02Å; L287-R290 PolarHBondContact O-N 2.85Å; L287-L291 WeakPolarHBondContact O-CB 3.17Å; L287-L291 PolarHBondContact O-N 2.97Å |
| 288 | W | 89.1 | Confident | 86.8 | Confident | 61 Ų | 61 | 35.9 Ų | 35.9 | 23% | 0.231 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.7 | -47.7 | 174.8 | -177.9 | 79.5 | 0 | 0 | 0 | 112 | L236 I239 F284 H285 R290 L291 L292 | L236-W288 HydrophobicContact CD2-CG 4.35Å; I239-W288 HydrophobicContact CD1-CB 4.3Å; I239-W288 HydrophobicContact CG2-CB 4.24Å; I239-W288 HydrophobicContact CG2-CG 4.37Å; F284-W288 WeakPolarHBondContact O-CB 3.44Å; F284-W288 PolarHBondContact O-N 3.01Å; H285-W288 PolarHBondContact O-N 2.93Å; W288-R290 VanDerWaalsContact C-N 3.31Å; W288-R290 PolarHBondContact O-N 2.77Å; W288-L291 PolarHBondContact O-N 3.49Å; W288-L292 HydrophobicContact CD2-CD1 3.81Å; W288-L292 HydrophobicContact CE3-CD1 3.8Å; W288-L292 HydrophobicContact CH2-CD1 3.62Å; W288-L292 HydrophobicContact CZ2-CD1 3.61Å; W288-L292 HydrophobicContact CZ3-CD1 3.71Å; W288-L292 WeakPolarHBondContact O-CG 3.45Å; W288-L292 PolarHBondContact O-N 3.1Å |
| 289 | L | 88.1 | Confident | 86.5 | Confident | 102 Ų | 102 | 37 Ų | 37 | 53% | 0.534 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -59.8 | -42.2 | 174.6 | -72 | 172.7 | 0 | 0 | 0 | 111.5 | H285 L292 E293 | H285-L289 WeakPolarHBondContact O-CB 3.46Å; H285-L289 WeakPolarHBondContact O-CG 3.43Å; H285-L289 PolarHBondContact O-N 3.45Å; L289-L292 PolarHBondContact O-N 3.25Å; L289-E293 PolarHBondContact O-N 2.95Å |
| 290 | R | 84.8 | Confident | 86.1 | Confident | 29 Ų | 29 | 38.2 Ų | 38.2 | 11% | 0.109 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -65.8 | -40.8 | 178.9 | -172.9 | 60.1 | 178.2 | 155.6 | 8 | 112.8 | P208 N209 T286 L287 W288 E293 L294 | P208-R290 PolarHBondContact O-NH2 2.97Å; N209-R290 PolarHBondContact O-NH2 2.58Å; T286-R290 WeakPolarHBondContact O-CB 3.46Å; T286-R290 PolarHBondContact O-N 3Å; L287-R290 PolarHBondContact O-N 2.85Å; W288-R290 VanDerWaalsContact C-N 3.31Å; W288-R290 PolarHBondContact O-N 2.77Å; R290-E293 WeakPolarHBondContact CD-OE2 3.36Å; R290-E293 IonicContact CZ-OE2 2.77Å; R290-E293 IonicContact NE-OE2 2.98Å; R290-E293 VanDerWaalsContact NH1-CD 3.27Å; R290-E293 IonicContact NH1-OE1 3.82Å; R290-E293 PolarHBondContact NH1-OE1 3.44Å; R290-E293 IonicContact NH1-OE2 2.64Å; R290-E293 PolarHBondContact NH1-OE2 3.27Å; R290-E293 PolarHBondContact O-N 3.12Å; R290-L294 HydrophobicContact CG-CD1 4.18Å; R290-L294 WeakPolarHBondContact O-CB 3.29Å; R290-L294 WeakPolarHBondContact O-CD1 3.48Å; R290-L294 WeakPolarHBondContact O-CG 3.35Å; R290-L294 PolarHBondContact O-N 3.31Å; R290-L294 VanDerWaalsContact O-N 3.1Å |
| 291 | L | 89 | Confident | 85.4 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.4 | -36.9 | 172.5 | -86.7 | 160.5 | 0 | 0 | 0 | 112.4 | L203 L207 Y232 C235 L236 I239 L287 W288 S295 | L203-L291 HydrophobicContact CD1-CD1 4.48Å; L203-L291 HydrophobicContact CD2-CD1 4.08Å; L207-L291 HydrophobicContact CD1-CD2 4.44Å; L207-L291 HydrophobicContact CD1-CG 4.07Å; L207-L291 HydrophobicContact CD2-CD2 3.72Å; L207-L291 HydrophobicContact CD2-CG 4.18Å; Y232-L291 HydrophobicContact CD1-CD2 3.52Å; Y232-L291 HydrophobicContact CE1-CD2 4.3Å; Y232-L291 HydrophobicContact CG-CD2 3.71Å; C235-L291 HydrophobicContact CB-CD1 3.89Å; C235-L291 HydrophobicContact CB-CD2 4.04Å; L236-L291 HydrophobicContact CD2-CB 3.69Å; L236-L291 HydrophobicContact CD2-CD1 4.35Å; L236-L291 HydrophobicContact CG-CB 4.02Å; I239-L291 HydrophobicContact CD1-CD1 3.6Å; L287-L291 WeakPolarHBondContact O-CB 3.17Å; L287-L291 PolarHBondContact O-N 2.97Å; W288-L291 PolarHBondContact O-N 3.49Å; L291-S295 VanDerWaalsContact O-CB 3.29Å; L291-S295 WeakPolarHBondContact O-CB 3.29Å; L291-S295 PolarHBondContact O-N 2.82Å; L291-S295 PolarHBondContact O-OG 2.9Å |
| 292 | L | 87.2 | Confident | 84.6 | Confident | 20 Ų | 20 | 39.6 Ų | 39.6 | 11% | 0.105 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -64.9 | -46.3 | 174 | -74.9 | 175.8 | 0 | 0 | 0 | 111.8 | L236 W288 L289 L294 S295 I296 Y739 | L236-L292 HydrophobicContact CD1-CD2 4.14Å; L236-L292 HydrophobicContact CD2-CD2 4.44Å; L236-L292 HydrophobicContact CD2-CG 4.35Å; W288-L292 HydrophobicContact CD2-CD1 3.81Å; W288-L292 HydrophobicContact CE3-CD1 3.8Å; W288-L292 HydrophobicContact CH2-CD1 3.62Å; W288-L292 HydrophobicContact CZ2-CD1 3.61Å; W288-L292 HydrophobicContact CZ3-CD1 3.71Å; W288-L292 WeakPolarHBondContact O-CG 3.45Å; W288-L292 PolarHBondContact O-N 3.1Å; L289-L292 PolarHBondContact O-N 3.25Å; L292-L294 PolarHBondContact O-N 3.25Å; L292-S295 WeakPolarHBondContact CA-OG 3.35Å; L292-S295 PolarHBondContact O-N 2.93Å; L292-S295 PolarHBondContact O-OG 3.29Å; L292-S295 VanDerWaalsContact O-OG 3.05Å; L292-I296 VanDerWaalsContact O-CB 3.28Å; L292-I296 WeakPolarHBondContact O-CB 3.4Å; L292-I296 WeakPolarHBondContact O-CD1 3.34Å; L292-I296 WeakPolarHBondContact O-CG1 3.41Å; L292-I296 PolarHBondContact O-N 3.33Å; L292-Y739 HydrophobicContact CD2-CE1 4.47Å |
| 293 | E | 86.2 | Confident | 83.7 | Confident | 46 Ų | 46 | 43.1 Ų | 43.1 | 22% | 0.215 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -55.2 | -51.8 | 175.2 | -175.8 | -170.1 | -172.9 | 0 | 0 | 111.6 | W213 L289 R290 I296 Y297 | W213-E293 HydrophobicContact CH2-CG 4.24Å; W213-E293 HydrophobicContact CZ2-CG 4.44Å; W213-E293 WeakPolarHBondContact CZ2-OE1 3.17Å; L289-E293 PolarHBondContact O-N 2.95Å; R290-E293 WeakPolarHBondContact CD-OE2 3.36Å; R290-E293 IonicContact CZ-OE2 2.77Å; R290-E293 IonicContact NE-OE2 2.98Å; R290-E293 VanDerWaalsContact NH1-CD 3.27Å; R290-E293 IonicContact NH1-OE1 3.82Å; R290-E293 PolarHBondContact NH1-OE1 3.44Å; R290-E293 IonicContact NH1-OE2 2.64Å; R290-E293 PolarHBondContact NH1-OE2 3.27Å; R290-E293 PolarHBondContact O-N 3.12Å; E293-I296 PolarHBondContact O-N 3.46Å; E293-Y297 PolarHBondContact O-N 2.94Å |
| 294 | L | 86.5 | Confident | 82.8 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -65.8 | -40.5 | -178.3 | -66.8 | 167.8 | 0 | 0 | 0 | 112.6 | L207 P208 W213 L217 Y232 R290 L292 I298 | L207-L294 HydrophobicContact CD2-CD1 3.74Å; P208-L294 HydrophobicContact CG-CD1 4.09Å; P208-L294 HydrophobicContact CG-CD2 3.87Å; W213-L294 HydrophobicContact CB-CD2 3.84Å; W213-L294 HydrophobicContact CD2-CD2 3.91Å; W213-L294 HydrophobicContact CE3-CD2 3.54Å; W213-L294 HydrophobicContact CG-CD2 4.08Å; W213-L294 HydrophobicContact CZ3-CD2 4.31Å; L217-L294 HydrophobicContact CD1-CD2 3.83Å; Y232-L294 HydrophobicContact CD2-CB 4.08Å; Y232-L294 HydrophobicContact CE2-CB 3.6Å; Y232-L294 HydrophobicContact CE2-CD1 4.44Å; R290-L294 HydrophobicContact CG-CD1 4.18Å; R290-L294 WeakPolarHBondContact O-CB 3.29Å; R290-L294 WeakPolarHBondContact O-CD1 3.48Å; R290-L294 WeakPolarHBondContact O-CG 3.35Å; R290-L294 PolarHBondContact O-N 3.31Å; R290-L294 VanDerWaalsContact O-N 3.1Å; L292-L294 PolarHBondContact O-N 3.25Å; L294-I298 WeakPolarHBondContact O-CG1 3.38Å; L294-I298 PolarHBondContact O-N 2.85Å |
| 295 | S | 85.9 | Confident | 81.5 | Confident | 24 Ų | 24 | 45 Ų | 45 | 17% | 0.168 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -68.1 | -45.1 | 176.6 | 56.1 | 0 | 0 | 0 | 0 | 111.8 | L291 L292 Y297 I298 D299 | L291-S295 VanDerWaalsContact O-CB 3.29Å; L291-S295 WeakPolarHBondContact O-CB 3.29Å; L291-S295 PolarHBondContact O-N 2.82Å; L291-S295 PolarHBondContact O-OG 2.9Å; L292-S295 WeakPolarHBondContact CA-OG 3.35Å; L292-S295 PolarHBondContact O-N 2.93Å; L292-S295 PolarHBondContact O-OG 3.29Å; L292-S295 VanDerWaalsContact O-OG 3.05Å; S295-Y297 VanDerWaalsContact C-N 3.26Å; S295-Y297 PolarHBondContact O-N 3.24Å; S295-I298 PolarHBondContact O-N 2.87Å; S295-D299 WeakPolarHBondContact O-CB 3.36Å; S295-D299 PolarHBondContact O-N 3.36Å |
| 296 | I | 83.3 | Confident | 80.2 | Confident | 57 Ų | 57 | 45.6 Ų | 45.6 | 29% | 0.292 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -57.6 | -38.5 | 176 | -72.3 | 166.7 | 0 | 0 | 0 | 111.5 | L292 E293 D299 Q300 | L292-I296 VanDerWaalsContact O-CB 3.28Å; L292-I296 WeakPolarHBondContact O-CB 3.4Å; L292-I296 WeakPolarHBondContact O-CD1 3.34Å; L292-I296 WeakPolarHBondContact O-CG1 3.41Å; L292-I296 PolarHBondContact O-N 3.33Å; E293-I296 PolarHBondContact O-N 3.46Å; I296-D299 PolarHBondContact O-N 2.86Å; I296-Q300 VanDerWaalsContact CG2-NE2 3.26Å; I296-Q300 WeakPolarHBondContact O-CG 3.4Å; I296-Q300 PolarHBondContact O-N 2.82Å |
| 297 | Y | 83 | Confident | 78.8 | Confident | 28 Ų | 28 | 46.8 Ų | 46.8 | 11% | 0.11 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -66.5 | -45.7 | 176.9 | -174.4 | -90.5 | 0 | 0 | 0 | 112.7 | W213 M214 L217 M218 E293 S295 D299 Q300 N301 | W213-Y297 AromaticContact CH2-CD2 3.91Å; W213-Y297 HydrophobicContact CH2-CD2 3.91Å; W213-Y297 HydrophobicContact CH2-CE2 4.32Å; W213-Y297 HydrophobicContact CH2-CG 4.34Å; W213-Y297 HydrophobicContact CZ3-CD1 4.12Å; W213-Y297 AromaticContact CZ3-CD2 3.58Å; W213-Y297 HydrophobicContact CZ3-CD2 3.58Å; W213-Y297 HydrophobicContact CZ3-CE2 4.02Å; W213-Y297 AromaticContact CZ3-CG 3.61Å; W213-Y297 HydrophobicContact CZ3-CG 3.61Å; M214-Y297 HydrophobicContact CG-CE2 4.26Å; L217-Y297 HydrophobicContact CB-CD1 3.84Å; L217-Y297 HydrophobicContact CB-CE1 3.63Å; L217-Y297 HydrophobicContact CD1-CD1 3.47Å; L217-Y297 VanDerWaalsContact CD1-CD1 3.47Å; L217-Y297 HydrophobicContact CD1-CE1 4.08Å; L217-Y297 HydrophobicContact CD1-CG 4.19Å; L217-Y297 HydrophobicContact CG-CD1 4.32Å; M218-Y297 WeakPolarHBondContact CE-OH 3.25Å; M218-Y297 WeakPolarHBondContact CG-OH 3.34Å; E293-Y297 PolarHBondContact O-N 2.94Å; S295-Y297 VanDerWaalsContact C-N 3.26Å; S295-Y297 PolarHBondContact O-N 3.24Å; Y297-D299 VanDerWaalsContact C-N 3.29Å; Y297-D299 PolarHBondContact O-N 3.02Å; Y297-Q300 PolarHBondContact O-N 3.33Å; Y297-N301 WeakPolarHBondContact CE1-ND2 3.46Å; Y297-N301 PolarHBondContact O-N 3.22Å |
| 298 | I | 82 | Confident | 77.4 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61 | -43.2 | 174.7 | -64.2 | 170.2 | 0 | 0 | 0 | 110.3 | L217 K225 T228 A229 Y232 L294 S295 Q300 N301 I302 | L217-I298 HydrophobicContact CD1-CG1 4.03Å; L217-I298 HydrophobicContact CD2-CD1 3.84Å; L217-I298 HydrophobicContact CD2-CG1 3.94Å; K225-I298 HydrophobicContact CB-CG2 4.03Å; K225-I298 WeakPolarHBondContact O-CG2 3.36Å; T228-I298 HydrophobicContact CG2-CD1 3.63Å; A229-I298 HydrophobicContact CB-CG2 3.93Å; Y232-I298 HydrophobicContact CD2-CD1 3.89Å; Y232-I298 HydrophobicContact CE2-CD1 3.62Å; L294-I298 WeakPolarHBondContact O-CG1 3.38Å; L294-I298 PolarHBondContact O-N 2.85Å; S295-I298 PolarHBondContact O-N 2.87Å; I298-Q300 PolarHBondContact O-N 3.04Å; I298-N301 PolarHBondContact O-N 2.94Å; I298-I302 HydrophobicContact CG2-CD1 3.65Å; I298-I302 HydrophobicContact CG2-CG1 4.13Å; I298-I302 WeakPolarHBondContact O-CG1 3.37Å; I298-I302 PolarHBondContact O-N 3.3Å |
| 299 | D | 80.3 | Confident | 75.7 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 30% | 0.299 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -61.6 | -27.8 | 179.1 | -130.3 | 50 | 0 | 0 | 0 | 112.9 | S295 I296 Y297 K303 W732 | S295-D299 WeakPolarHBondContact O-CB 3.36Å; S295-D299 PolarHBondContact O-N 3.36Å; I296-D299 PolarHBondContact O-N 2.86Å; Y297-D299 VanDerWaalsContact C-N 3.29Å; Y297-D299 PolarHBondContact O-N 3.02Å; D299-K303 VanDerWaalsContact CG-NZ 3.29Å; D299-K303 VanDerWaalsContact O-CD 3.29Å; D299-K303 WeakPolarHBondContact O-CD 3.26Å; D299-K303 WeakPolarHBondContact O-CE 3.31Å; D299-K303 WeakPolarHBondContact O-CG 3.24Å; D299-K303 PolarHBondContact O-NZ 2.69Å; D299-K303 IonicContact OD2-NZ 2.64Å; D299-K303 PolarHBondContact OD2-NZ 3.3Å; D299-W732 VanDerWaalsContact OD2-CD1 3.31Å; D299-W732 PolarHBondContact OD2-NE1 3.37Å |
| 300 | Q | 79 | Confident | 73.9 | Confident | 100 Ų | 100 | 55.3 Ų | 55.3 | 47% | 0.467 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -80.6 | -45.7 | 172.8 | -72.9 | 177.2 | 44.9 | 0 | 0 | 111.5 | I296 Y297 I298 I302 K303 T304 | I296-Q300 VanDerWaalsContact CG2-NE2 3.26Å; I296-Q300 WeakPolarHBondContact O-CG 3.4Å; I296-Q300 PolarHBondContact O-N 2.82Å; Y297-Q300 PolarHBondContact O-N 3.33Å; I298-Q300 PolarHBondContact O-N 3.04Å; Q300-I302 PolarHBondContact O-N 2.95Å; Q300-K303 CarbonylContact O-C 3.57Å; Q300-K303 WeakPolarHBondContact O-CA 3.26Å; Q300-K303 WeakPolarHBondContact O-CB 3.35Å; Q300-K303 PolarHBondContact O-N 2.99Å; Q300-K303 VanDerWaalsContact O-N 3.08Å; Q300-T304 PolarHBondContact O-N 2.97Å |
| 301 | N | 74.9 | Confident | 72.4 | Confident | 22 Ų | 22 | 56.4 Ų | 56.4 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -64.1 | -37.7 | -179.8 | -81 | 0.1 | 0 | 0 | 0 | 113.2 | Y297 I298 K303 T304 D305 | Y297-N301 WeakPolarHBondContact CE1-ND2 3.46Å; Y297-N301 PolarHBondContact O-N 3.22Å; I298-N301 PolarHBondContact O-N 2.94Å; N301-K303 VanDerWaalsContact C-N 3.29Å; N301-K303 PolarHBondContact O-N 2.76Å; N301-T304 WeakPolarHBondContact CA-OG1 3.45Å; N301-T304 PolarHBondContact O-N 3.45Å; N301-T304 PolarHBondContact O-OG1 3.34Å; N301-D305 VanDerWaalsContact O-CG 3.3Å; N301-D305 PolarHBondContact O-N 2.82Å |
| 302 | I | 72.5 | Confident | 70.7 | Confident | 47 Ų | 47 | 60 Ų | 60 | 24% | 0.241 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -61.6 | -41.5 | 172.9 | -68.6 | 173 | 0 | 0 | 0 | 110 | K225 I298 Q300 D305 V306 | K225-I302 HydrophobicContact CB-CD1 4.34Å; K225-I302 HydrophobicContact CB-CG1 4.25Å; I298-I302 HydrophobicContact CG2-CD1 3.65Å; I298-I302 HydrophobicContact CG2-CG1 4.13Å; I298-I302 WeakPolarHBondContact O-CG1 3.37Å; I298-I302 PolarHBondContact O-N 3.3Å; Q300-I302 PolarHBondContact O-N 2.95Å; I302-D305 PolarHBondContact O-N 2.92Å; I302-V306 WeakPolarHBondContact O-CG2 3.39Å; I302-V306 PolarHBondContact O-N 2.75Å |
| 303 | K | 67.8 | Low | 68.6 | Low | 84 Ų | 84 | 64.4 Ų | 64.4 | 37% | 0.365 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -68.8 | -33.7 | 177.9 | -67.6 | 175.8 | -167.9 | 105.3 | 0 | 112.4 | D299 Q300 N301 N307 | D299-K303 VanDerWaalsContact CG-NZ 3.29Å; D299-K303 VanDerWaalsContact O-CD 3.29Å; D299-K303 WeakPolarHBondContact O-CD 3.26Å; D299-K303 WeakPolarHBondContact O-CE 3.31Å; D299-K303 WeakPolarHBondContact O-CG 3.24Å; D299-K303 PolarHBondContact O-NZ 2.69Å; D299-K303 IonicContact OD2-NZ 2.64Å; D299-K303 PolarHBondContact OD2-NZ 3.3Å; Q300-K303 CarbonylContact O-C 3.57Å; Q300-K303 WeakPolarHBondContact O-CA 3.26Å; Q300-K303 WeakPolarHBondContact O-CB 3.35Å; Q300-K303 PolarHBondContact O-N 2.99Å; Q300-K303 VanDerWaalsContact O-N 3.08Å; N301-K303 VanDerWaalsContact C-N 3.29Å; N301-K303 PolarHBondContact O-N 2.76Å; K303-N307 PolarHBondContact O-N 2.89Å; K303-N307 PolarHBondContact O-ND2 3.03Å |
| 304 | T | 68.8 | Low | 66.9 | Low | 69 Ų | 69 | 67.9 Ų | 67.9 | 42% | 0.423 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -70.4 | -42.1 | 174.8 | 51 | 0 | 0 | 0 | 0 | 112.5 | Q300 N301 V306 N307 Q308 | Q300-T304 PolarHBondContact O-N 2.97Å; N301-T304 WeakPolarHBondContact CA-OG1 3.45Å; N301-T304 PolarHBondContact O-N 3.45Å; N301-T304 PolarHBondContact O-OG1 3.34Å; T304-V306 VanDerWaalsContact C-N 3.34Å; T304-V306 PolarHBondContact O-N 3.26Å; T304-N307 PolarHBondContact O-N 3.4Å; T304-Q308 PolarHBondContact O-N 3.43Å |
| 305 | D | 60.8 | Low | 64.9 | Low | 34 Ų | 34 | 71.9 Ų | 71.9 | 18% | 0.182 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -64.2 | -38.4 | -178.4 | -69.2 | -18.8 | 0 | 0 | 0 | 112.3 | N222 K225 N301 I302 Q308 R309 | N222-D305 VanDerWaalsContact CG-OD2 3.28Å; N222-D305 WeakPolarHBondContact ND2-CB 3.41Å; N222-D305 PolarHBondContact ND2-OD2 3.46Å; N222-D305 PolarHBondContact OD1-OD2 3.28Å; N222-D305 VanDerWaalsContact OD1-OD2 3.09Å; K225-D305 IonicContact NZ-OD2 3.02Å; K225-D305 PolarHBondContact NZ-OD2 3.3Å; N301-D305 VanDerWaalsContact O-CG 3.3Å; N301-D305 PolarHBondContact O-N 2.82Å; I302-D305 PolarHBondContact O-N 2.92Å; D305-Q308 PolarHBondContact O-N 3.16Å; D305-R309 PolarHBondContact O-N 2.9Å; D305-R309 VanDerWaalsContact O-N 3.15Å |
| 306 | V | 59.6 | Low | 62.9 | Low | 88 Ų | 88 | 78.2 Ų | 78.2 | 53% | 0.533 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.2 | 171.7 | 0 | 0 | 0 | 0 | 111.1 | I302 T304 Q308 V310 | I302-V306 WeakPolarHBondContact O-CG2 3.39Å; I302-V306 PolarHBondContact O-N 2.75Å; T304-V306 VanDerWaalsContact C-N 3.34Å; T304-V306 PolarHBondContact O-N 3.26Å; V306-Q308 VanDerWaalsContact C-N 3.35Å; V306-Q308 PolarHBondContact O-N 3.41Å; V306-V310 WeakPolarHBondContact O-CG2 3.4Å; V306-V310 PolarHBondContact O-N 2.89Å |
| 307 | N | 57.8 | Low | 61.2 | Low | 96 Ų | 96 | 82.3 Ų | 82.3 | 51% | 0.513 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -69.2 | -29.8 | 178.2 | -77.6 | -77 | 0 | 0 | 0 | 113.1 | K303 T304 T311 | K303-N307 PolarHBondContact O-N 2.89Å; K303-N307 PolarHBondContact O-ND2 3.03Å; T304-N307 PolarHBondContact O-N 3.4Å; N307-T311 PolarHBondContact O-N 2.87Å; N307-T311 PolarHBondContact O-OG1 3.46Å |
| 308 | Q | 58.6 | Low | 59.2 | Low | 107 Ų | 107 | 84.9 Ų | 84.9 | 50% | 0.5 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -71.3 | -45.4 | 176.2 | -78.3 | -168.7 | -4.9 | 0 | 0 | 112.6 | T304 D305 V306 V310 T311 T312 | T304-Q308 PolarHBondContact O-N 3.43Å; D305-Q308 PolarHBondContact O-N 3.16Å; V306-Q308 VanDerWaalsContact C-N 3.35Å; V306-Q308 PolarHBondContact O-N 3.41Å; Q308-V310 VanDerWaalsContact C-N 3.32Å; Q308-V310 PolarHBondContact O-N 3.45Å; Q308-T311 CarbonylContact O-C 3.57Å; Q308-T311 PolarHBondContact O-N 3.27Å; Q308-T311 PolarHBondContact O-OG1 2.93Å; Q308-T311 VanDerWaalsContact O-OG1 3.08Å; Q308-T312 PolarHBondContact O-N 3.21Å; Q308-T312 PolarHBondContact O-OG1 3.46Å |
| 309 | R | 53.2 | Low | 57.2 | Low | 164 Ų | 164 | 90.3 Ų | 90.3 | 62% | 0.619 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.3 | -44.2 | 176.9 | -68.1 | -176.9 | -175.2 | -150.4 | 0.1 | 112.1 | D305 T311 T312 D313 | D305-R309 PolarHBondContact O-N 2.9Å; D305-R309 VanDerWaalsContact O-N 3.15Å; R309-T311 PolarHBondContact O-N 2.92Å; R309-T311 VanDerWaalsContact O-N 3.12Å; R309-T312 PolarHBondContact O-N 3.22Å; R309-T312 PolarHBondContact O-OG1 3.08Å; R309-D313 PolarHBondContact O-N 3.2Å |
| 310 | V | 51.7 | Low | 55.3 | Low | 89 Ų | 89 | 92.2 Ų | 92.2 | 54% | 0.539 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.3 | -22.3 | 174.9 | 173.1 | 0 | 0 | 0 | 0 | 112.7 | V306 Q308 I314 | V306-V310 WeakPolarHBondContact O-CG2 3.4Å; V306-V310 PolarHBondContact O-N 2.89Å; Q308-V310 VanDerWaalsContact C-N 3.32Å; Q308-V310 PolarHBondContact O-N 3.45Å; V310-I314 WeakPolarHBondContact O-CD1 3.31Å; V310-I314 WeakPolarHBondContact O-CG1 3.45Å |
| 311 | T | 52.1 | Low | 53.4 | Low | 53 Ų | 53 | 94.9 Ų | 94.9 | 33% | 0.325 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -98.8 | -22.6 | 176.2 | 42.4 | 0 | 0 | 0 | 0 | 114.9 | N307 Q308 R309 C315 Y851 | N307-T311 PolarHBondContact O-N 2.87Å; N307-T311 PolarHBondContact O-OG1 3.46Å; Q308-T311 CarbonylContact O-C 3.57Å; Q308-T311 PolarHBondContact O-N 3.27Å; Q308-T311 PolarHBondContact O-OG1 2.93Å; Q308-T311 VanDerWaalsContact O-OG1 3.08Å; R309-T311 PolarHBondContact O-N 2.92Å; R309-T311 VanDerWaalsContact O-N 3.12Å; T311-C315 PolarHBondContact O-SG 3.29Å; T311-Y851 HydrophobicContact CG2-CE1 4.26Å; T311-Y851 PolarHBondContact OG1-OH 3.2Å |
| 312 | T | 53.2 | Low | 51.4 | Low | 75 Ų | 75 | 103 Ų | 103 | 46% | 0.46 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -70.7 | -42.8 | 173.9 | 47.2 | 0 | 0 | 0 | 0 | 112.4 | Q308 R309 I314 C315 | Q308-T312 PolarHBondContact O-N 3.21Å; Q308-T312 PolarHBondContact O-OG1 3.46Å; R309-T312 PolarHBondContact O-N 3.22Å; R309-T312 PolarHBondContact O-OG1 3.08Å; T312-I314 VanDerWaalsContact C-N 3.34Å; T312-I314 PolarHBondContact O-N 3.18Å; T312-C315 PolarHBondContact O-N 3.39Å; T312-C315 VanDerWaalsContact O-N 3.12Å |
| 313 | D | 44.7 | Very low | 49.7 | Very low | 112 Ų | 112 | 106.7 Ų | 106.7 | 60% | 0.599 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -71.3 | -35.5 | -170.2 | -58.2 | -5.3 | 0 | 0 | 0 | 110.6 | R309 C315 H316 | R309-D313 PolarHBondContact O-N 3.2Å; D313-C315 VanDerWaalsContact C-N 3.26Å; D313-C315 PolarHBondContact O-N 3.28Å; D313-H316 PolarHBondContact O-N 2.83Å |
| 314 | I | 49.5 | Very low | 48.1 | Very low | 119 Ų | 119 | 113.4 Ų | 113.4 | 61% | 0.61 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -64.5 | -27.1 | 174.1 | -62.8 | 178.1 | 0 | 0 | 0 | 112.3 | V310 T312 | V310-I314 WeakPolarHBondContact O-CD1 3.31Å; V310-I314 WeakPolarHBondContact O-CG1 3.45Å; T312-I314 VanDerWaalsContact C-N 3.34Å; T312-I314 PolarHBondContact O-N 3.18Å |
| 315 | C | 45.1 | Very low | 46.5 | Very low | 85 Ų | 85 | 118.9 Ų | 118.9 | 57% | 0.574 | 63% | 0.629 | S | S | * | * | H | α-helix | trans | -79.4 | -21.6 | -177.2 | -80.4 | 0 | 0 | 0 | 0 | 114.4 | T311 T312 D313 | T311-C315 PolarHBondContact O-SG 3.29Å; T312-C315 PolarHBondContact O-N 3.39Å; T312-C315 VanDerWaalsContact O-N 3.12Å; D313-C315 VanDerWaalsContact C-N 3.26Å; D313-C315 PolarHBondContact O-N 3.28Å |
| 316 | H | 44.1 | Very low | 45.2 | Very low | 157 Ų | 157 | 124.1 Ų | 124.1 | 73% | 0.727 | 66% | 0.657 | S | S | * | * | H | α-helix | trans | -77.8 | -41.6 | -176.5 | -93.4 | -77.8 | 0 | 0 | 0 | 113.5 | D313 A318 | D313-H316 PolarHBondContact O-N 2.83Å; H316-A318 PolarHBondContact O-N 3.33Å |
| 317 | D | 46.7 | Very low | 44 | Very low | 142 Ų | 142 | 125.6 Ų | 125.6 | 76% | 0.759 | 67% | 0.666 | S | S | * | * | H | α-helix | trans | -71.6 | -29.5 | 179.2 | -73.5 | -21 | 0 | 0 | 0 | 113 | C319 S320 | D317-C319 PolarHBondContact O-N 3.5Å; D317-C319 VanDerWaalsContact O-N 3.11Å; D317-S320 PolarHBondContact O-N 2.91Å |
| 318 | A | 41.9 | Very low | 42.9 | Very low | 82 Ų | 82 | 129.3 Ų | 129.3 | 68% | 0.678 | 69% | 0.685 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -63.2 | -19.2 | -175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | H316 | H316-A318 PolarHBondContact O-N 3.33Š|
| 319 | C | 39.6 | Very low | 41.7 | Very low | 116 Ų | 116 | 132 Ų | 132 | 78% | 0.784 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.3 | -4.1 | -177.6 | -72.4 | 0 | 0 | 0 | 0 | 115.1 | D317 | D317-C319 PolarHBondContact O-N 3.5Å; D317-C319 VanDerWaalsContact O-N 3.11Å |
| 320 | S | 39 | Very low | 40.9 | Very low | 95 Ų | 95 | 133.4 Ų | 133.4 | 66% | 0.664 | 71% | 0.71 | S | S | * | * | S | Bend | trans | -79.8 | -30 | -167.7 | -167.3 | 0 | 0 | 0 | 0 | 116 | D317 | D317-S320 PolarHBondContact O-N 2.91Š|
| 321 | N | 39.6 | Very low | 40 | Very low | 156 Ų | 156 | 135.2 Ų | 135.2 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | -115.2 | 92.6 | -163.3 | -80.8 | -44.8 | 0 | 0 | 0 | 114.9 | ||||
| 322 | K | 34.2 | Very low | 39.2 | Very low | 193 Ų | 193 | 144.5 Ų | 144.5 | 84% | 0.839 | 75% | 0.748 | S | S | * | * | trans | -88.3 | 130.1 | 161.2 | -74.1 | 175.3 | 176 | 171 | 0 | 110.6 | ||||
| 323 | T | 36.4 | Very low | 38.4 | Very low | 124 Ų | 124 | 144.2 Ų | 144.2 | 76% | 0.761 | 76% | 0.76 | S | S | * | * | 159.3 | 140.6 | 124.5 | 40.7 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 324 | R | 33.6 | Very low | 37.9 | Very low | 225 Ų | 225 | 146.7 Ų | 146.7 | 85% | 0.849 | 77% | 0.773 | S | S | * | * | trans | 64.3 | 140.7 | 167.1 | -59.3 | 166.1 | 178.3 | 159.9 | -1.8 | 114.9 | ||||
| 325 | H | 36 | Very low | 37.2 | Very low | 185 Ų | 185 | 146.1 Ų | 146.1 | 86% | 0.856 | 78% | 0.779 | S | S | * | * | cis | -141.2 | 173.8 | 28.6 | -119.3 | -77.8 | 0 | 0 | 0 | 113.4 | ||||
| 326 | D | 32.6 | Very low | 36.6 | Very low | 143 Ų | 143 | 153.2 Ų | 153.2 | 77% | 0.765 | 80% | 0.796 | S | S | * | * | trans | -114.8 | 161.1 | -165.2 | -119.2 | -47.5 | 0 | 0 | 0 | 114.8 | ||||
| 327 | V | 33.8 | Very low | 35.9 | Very low | 120 Ų | 120 | 153.2 Ų | 153.2 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 59 | 117.3 | 156.7 | 177 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 328 | L | 36.4 | Very low | 35.2 | Very low | 173 Ų | 173 | 152 Ų | 152 | 91% | 0.906 | 80% | 0.803 | S | S | * | * | -163.8 | 129.7 | 122 | -108.3 | 171.1 | 0 | 0 | 0 | 111.9 | |||||
| 329 | H | 32.2 | Very low | 34.7 | Very low | 163 Ų | 163 | 157.3 Ų | 157.3 | 76% | 0.755 | 81% | 0.814 | S | S | * | * | trans | -130.1 | 136.3 | -176.4 | -129.4 | -75 | 0 | 0 | 0 | 109 | ||||
| 330 | Q | 37.1 | Very low | 34.3 | Very low | 194 Ų | 194 | 160.3 Ų | 160.3 | 91% | 0.907 | 81% | 0.814 | S | S | * | * | trans | -164.1 | 163.5 | 151.8 | -114.3 | 166.4 | 25 | 0 | 0 | 113.1 | ||||
| 331 | N | 32.7 | Very low | 34 | Very low | 128 Ų | 128 | 162.7 Ų | 162.7 | 68% | 0.684 | 82% | 0.819 | S | S | * | * | trans | -118.1 | 149.9 | -153.9 | -50 | -41.8 | 0 | 0 | 0 | 114 | ||||
| 332 | Y | 35.9 | Very low | 33.7 | Very low | 248 Ų | 248 | 162 Ų | 162 | 97% | 0.973 | 82% | 0.821 | S | S | * | * | trans | -169.7 | 138.2 | 145.2 | -90.2 | -69.9 | 0 | 0 | 0 | 107.6 | ||||
| 333 | G | 35.2 | Very low | 33.6 | Very low | 68 Ų | 68 | 163 Ų | 163 | 70% | 0.701 | 83% | 0.825 | S | S | * | * | cis | -168.8 | 159.2 | -7.1 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 334 | N | 34.3 | Very low | 33.5 | Very low | 164 Ų | 164 | 166.3 Ų | 166.3 | 88% | 0.877 | 83% | 0.832 | S | S | * | * | trans | -85.5 | 156.9 | -166.1 | -62.1 | -22.1 | 0 | 0 | 0 | 115.3 | ||||
| 335 | S | 34.3 | Very low | 33.6 | Very low | 107 Ų | 107 | 164 Ų | 164 | 75% | 0.748 | 83% | 0.834 | S | S | * | * | -171.8 | 159.8 | 124 | -82.6 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 336 | Y | 33.7 | Very low | 33.5 | Very low | 235 Ų | 235 | 158.7 Ų | 158.7 | 92% | 0.922 | 83% | 0.83 | S | S | * | * | trans | 70.7 | 80.4 | 175.8 | -64.2 | -74.1 | 0 | 0 | 0 | 118.2 | ||||
| 337 | L | 29.2 | Very low | 33.6 | Very low | 157 Ų | 157 | 159 Ų | 159 | 82% | 0.822 | 83% | 0.83 | S | S | * | * | trans | -152.7 | 103.8 | 160.9 | -154.7 | -172.7 | 0 | 0 | 0 | 108.8 | ||||
| 338 | S | 32.3 | Very low | 33.7 | Very low | 115 Ų | 115 | 161.2 Ų | 161.2 | 80% | 0.804 | 83% | 0.832 | S | S | * | * | trans | 179.6 | 105.3 | 158.9 | 56.4 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 339 | E | 30.4 | Very low | 33.8 | Very low | 194 Ų | 194 | 159.8 Ų | 159.8 | 91% | 0.907 | 82% | 0.82 | S | S | * | * | trans | -150.4 | 124.2 | 130.6 | -154.8 | 161 | -139.9 | 0 | 0 | 107 | ||||
| 340 | F | 32.2 | Very low | 33.9 | Very low | 179 Ų | 179 | 158.7 Ų | 158.7 | 79% | 0.785 | 82% | 0.819 | S | S | * | * | trans | -144.7 | 150.4 | -168.5 | -128.2 | -82.8 | 0 | 0 | 0 | 109.9 | ||||
| 341 | N | 32.5 | Very low | 33.8 | Very low | 146 Ų | 146 | 153.4 Ų | 153.4 | 78% | 0.781 | 80% | 0.804 | S | S | * | * | trans | -46.6 | 140.2 | -174.9 | -59 | -32.4 | 0 | 0 | 0 | 114.8 | ||||
| 342 | T | 33 | Very low | 34 | Very low | 141 Ų | 141 | 155 Ų | 155 | 87% | 0.865 | 81% | 0.807 | S | S | * | * | trans | -159.7 | 115.3 | 145.3 | 1.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 343 | K | 31.6 | Very low | 34 | Very low | 214 Ų | 214 | 151 Ų | 151 | 93% | 0.93 | 80% | 0.797 | S | S | * | * | trans | -159.1 | 85.4 | 167.3 | -127.7 | -170.8 | -173.4 | -175.7 | 0 | 110.5 | ||||
| 344 | E | 34.8 | Very low | 33.8 | Very low | 193 Ų | 193 | 155.3 Ų | 155.3 | 90% | 0.902 | 80% | 0.804 | S | S | * | * | trans | -149.5 | 163.2 | 156.8 | -148.1 | 162.2 | -155.2 | 0 | 0 | 110.9 | ||||
| 345 | I | 35.4 | Very low | 33.7 | Very low | 176 Ų | 176 | 150.6 Ų | 150.6 | 90% | 0.903 | 80% | 0.795 | S | S | * | * | trans | -133.6 | 134.5 | -162.5 | -60.7 | 169 | 0 | 0 | 0 | 108.3 | ||||
| 346 | G | 34.4 | Very low | 33.8 | Very low | 74 Ų | 74 | 153.7 Ų | 153.7 | 76% | 0.763 | 80% | 0.797 | S | S | * | * | trans | 137.8 | 116.5 | 165.7 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 347 | I | 34.1 | Very low | 33.9 | Very low | 149 Ų | 149 | 150 Ų | 150 | 76% | 0.764 | 79% | 0.788 | S | S | * | * | trans | -102.2 | 133.8 | 168.1 | -65.1 | 165 | 0 | 0 | 0 | 107.1 | ||||
| 348 | H | 36.8 | Very low | 34.3 | Very low | 167 Ų | 167 | 148.2 Ų | 148.2 | 77% | 0.773 | 79% | 0.789 | S | S | * | * | trans | -178.4 | 107.8 | 130.4 | -107.1 | -84 | 0 | 0 | 0 | 114.9 | ||||
| 349 | H | 36.6 | Very low | 34.6 | Very low | 143 Ų | 143 | 146.1 Ų | 146.1 | 66% | 0.662 | 79% | 0.785 | S | S | * | * | trans | 58.8 | 127.7 | 134.2 | -82.5 | -101.5 | 0 | 0 | 0 | 125.2 | ||||
| 350 | L | 35.5 | Very low | 34.7 | Very low | 140 Ų | 140 | 146 Ų | 146 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 87 | 89.3 | 132 | -71.6 | 167.1 | 0 | 0 | 0 | 123.7 | ||||
| 351 | S | 35.2 | Very low | 34.9 | Very low | 83 Ų | 83 | 145.9 Ų | 145.9 | 58% | 0.58 | 78% | 0.784 | S | S | * | * | 76.9 | 140.4 | 105.7 | 73.9 | 0 | 0 | 0 | 0 | 125.1 | |||||
| 352 | H | 36.1 | Very low | 35 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 76% | 0.755 | 78% | 0.78 | S | S | * | * | trans | 71.4 | 145.4 | 149.9 | -71.8 | -54.5 | 0 | 0 | 0 | 119 | ||||
| 353 | Q | 35.4 | Very low | 34.9 | Very low | 164 Ų | 164 | 144.7 Ų | 144.7 | 77% | 0.766 | 78% | 0.775 | S | S | * | * | cis | -158.1 | -170.7 | -14.4 | -149.9 | 163.5 | -7.1 | 0 | 0 | 111 | ||||
| 354 | N | 32.9 | Very low | 34.9 | Very low | 157 Ų | 157 | 142.4 Ų | 142.4 | 84% | 0.84 | 77% | 0.767 | S | S | * | * | trans | -80.2 | 154.6 | -163.9 | -53.8 | -16.5 | 0 | 0 | 0 | 116.7 | ||||
| 355 | G | 31.3 | Very low | 34.7 | Very low | 66 Ų | 66 | 138.6 Ų | 138.6 | 68% | 0.68 | 76% | 0.762 | S | S | * | * | trans | -82.6 | -163.6 | 177.1 | 0 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 356 | H | 36.8 | Very low | 34.7 | Very low | 172 Ų | 172 | 136.2 Ų | 136.2 | 80% | 0.796 | 76% | 0.758 | S | S | * | * | trans | -167.6 | 150.4 | 171.2 | -113.7 | -102.3 | 0 | 0 | 0 | 115 | ||||
| 357 | E | 36.1 | Very low | 34.8 | Very low | 156 Ų | 156 | 137.7 Ų | 137.7 | 73% | 0.729 | 75% | 0.754 | S | S | * | * | trans | 78.9 | 132.2 | 141.5 | -88.5 | 161.5 | -140.9 | 0 | 0 | 130.1 | ||||
| 358 | S | 37.7 | Very low | 34.7 | Very low | 121 Ų | 121 | 138.3 Ų | 138.3 | 85% | 0.846 | 76% | 0.758 | S | S | * | * | trans | 69.4 | 146.5 | 151.3 | 70.5 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 359 | G | 37.2 | Very low | 34.4 | Very low | 70 Ų | 70 | 139.9 Ų | 139.9 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | cis | 167.4 | 175.4 | -1.9 | 0 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 360 | F | 33.5 | Very low | 34.1 | Very low | 191 Ų | 191 | 137.4 Ų | 137.4 | 84% | 0.838 | 76% | 0.761 | S | S | * | * | cis | -170.8 | 147.5 | -14.4 | -125 | -65.5 | 0 | 0 | 0 | 109.9 | ||||
| 361 | E | 36.9 | Very low | 33.8 | Very low | 177 Ų | 177 | 141 Ų | 141 | 83% | 0.827 | 77% | 0.766 | S | S | * | * | trans | 60.7 | 164.1 | 168.8 | -53.8 | -167.4 | 162 | 0 | 0 | 119 | ||||
| 362 | S | 32.9 | Very low | 33.7 | Very low | 100 Ų | 100 | 147.1 Ų | 147.1 | 70% | 0.699 | 78% | 0.779 | S | S | * | * | cis | -160.5 | 176 | -43.3 | 64.6 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 363 | E | 31.7 | Very low | 33.1 | Very low | 163 Ų | 163 | 144.4 Ų | 144.4 | 76% | 0.762 | 78% | 0.778 | S | S | * | * | trans | 73 | 120.3 | 168 | -56.9 | -153.5 | 119.6 | 0 | 0 | 123.9 | ||||
| 364 | Q | 31 | Very low | 32.9 | Very low | 166 Ų | 166 | 146.6 Ų | 146.6 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | 42.8 | 122.5 | 138.7 | -50.2 | -170.8 | 31.1 | 0 | 0 | 124.2 | ||||
| 365 | S | 32.2 | Very low | 32.6 | Very low | 112 Ų | 112 | 144.5 Ų | 144.5 | 78% | 0.783 | 78% | 0.778 | S | S | * | * | trans | 14 | 138.9 | 142.1 | -51.1 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 366 | P | 34 | Very low | 32.6 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 83% | 0.825 | 79% | 0.785 | S | S | * | * | -139.8 | -115.1 | 57 | 27.9 | -0.3 | 0 | 0 | 0 | 118 | |||||
| 367 | P | 37.1 | Very low | 32.1 | Very low | 105 Ų | 105 | 146.3 Ų | 146.3 | 68% | 0.682 | 79% | 0.786 | S | S | * | * | -128.5 | 173 | -121.8 | 41.7 | -23.4 | 0 | 0 | 0 | 118.4 | |||||
| 368 | L | 32.1 | Very low | 31.9 | Very low | 162 Ų | 162 | 147 Ų | 147 | 85% | 0.848 | 80% | 0.795 | S | S | * | * | trans | 44.1 | 100.9 | 153.3 | -77.1 | 166.1 | 0 | 0 | 0 | 119.8 | ||||
| 369 | K | 30.3 | Very low | 31.3 | Very low | 200 Ų | 200 | 147.4 Ų | 147.4 | 87% | 0.87 | 79% | 0.792 | S | S | * | * | 175.1 | 139.1 | 124 | -100.5 | 167.3 | -177.5 | 179.1 | 0 | 116.4 | |||||
| 370 | S | 30.5 | Very low | 30.9 | Very low | 90 Ų | 90 | 152.1 Ų | 152.1 | 63% | 0.629 | 80% | 0.799 | S | S | * | * | trans | 24.3 | 147.2 | 142.5 | 67 | 0 | 0 | 0 | 0 | 124.6 | ||||
| 371 | Y | 29.9 | Very low | 30.6 | Very low | 215 Ų | 215 | 149.7 Ų | 149.7 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | 70.4 | 134.2 | 161 | -71.3 | -77.2 | 0 | 0 | 0 | 118.9 | ||||
| 372 | Y | 32 | Very low | 30.2 | Very low | 213 Ų | 213 | 145.1 Ų | 145.1 | 84% | 0.835 | 80% | 0.801 | S | S | * | * | trans | -150.9 | 133.5 | 131.6 | -106.1 | -72.4 | 0 | 0 | 0 | 111 | Y374 | Y372-Y374 HydrophobicContact CD1-CE2 4.21Š| ||
| 373 | S | 24.6 | Very low | 29.8 | Very low | 106 Ų | 106 | 145.8 Ų | 145.8 | 74% | 0.741 | 81% | 0.805 | S | S | * | * | trans | -107.2 | 157 | 163.5 | 57.2 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 374 | Y | 31 | Very low | 29.7 | Very low | 210 Ų | 210 | 146 Ų | 146 | 82% | 0.824 | 81% | 0.812 | S | S | * | * | trans | -135.3 | 134.3 | 172.6 | -104.6 | -88.3 | 0 | 0 | 0 | 111.2 | Y372 | Y372-Y374 HydrophobicContact CD1-CE2 4.21Š| ||
| 375 | S | 25.9 | Very low | 29.4 | Very low | 112 Ų | 112 | 143.9 Ų | 143.9 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | -138.2 | 134.6 | 175.3 | 60.7 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 376 | C | 30.5 | Very low | 29.2 | Very low | 121 Ų | 121 | 146.9 Ų | 146.9 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -130.4 | 117.4 | 170.8 | -71.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 377 | N | 27.2 | Very low | 28.8 | Very low | 156 Ų | 156 | 146.3 Ų | 146.3 | 83% | 0.834 | 81% | 0.811 | S | S | * | * | trans | -82.9 | 151.8 | 164 | -76.6 | -30.4 | 0 | 0 | 0 | 109.7 | ||||
| 378 | N | 31 | Very low | 28.3 | Very low | 170 Ų | 170 | 147.1 Ų | 147.1 | 91% | 0.909 | 81% | 0.813 | S | S | * | * | trans | -160.7 | 132.4 | 135.4 | -103.6 | -25.3 | 0 | 0 | 0 | 111.3 | ||||
| 379 | T | 26 | Very low | 28.1 | Very low | 129 Ų | 129 | 149 Ų | 149 | 79% | 0.791 | 82% | 0.815 | S | S | * | * | trans | -97.8 | 151.2 | 175.9 | 46.6 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 380 | I | 29.1 | Very low | 27.9 | Very low | 170 Ų | 170 | 146.4 Ų | 146.4 | 87% | 0.872 | 81% | 0.81 | S | S | * | * | trans | -158.3 | 157 | 141.8 | -106.3 | 151.4 | 0 | 0 | 0 | 109.9 | ||||
| 381 | T | 26.3 | Very low | 27.9 | Very low | 139 Ų | 139 | 150.2 Ų | 150.2 | 85% | 0.853 | 82% | 0.818 | S | S | * | * | trans | -96.3 | 151.1 | -164.6 | 49.8 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 382 | G | 28.5 | Very low | 27.7 | Very low | 81 Ų | 81 | 147.4 Ų | 147.4 | 84% | 0.835 | 82% | 0.817 | S | S | * | * | trans | -169.1 | 125.3 | 162.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 383 | S | 25.2 | Very low | 27.7 | Very low | 114 Ų | 114 | 147.7 Ų | 147.7 | 80% | 0.797 | 82% | 0.817 | S | S | * | * | trans | -144.7 | 135.8 | -174.3 | 57.4 | 0 | 0 | 0 | 0 | 111 | ||||
| 384 | D | 29.9 | Very low | 27.8 | Very low | 168 Ų | 168 | 150 Ų | 150 | 90% | 0.898 | 82% | 0.82 | S | S | * | * | trans | -152.9 | 150.9 | 165.6 | -109.7 | -38.2 | 0 | 0 | 0 | 111.5 | ||||
| 385 | T | 23.3 | Very low | 27.8 | Very low | 122 Ų | 122 | 152.1 Ų | 152.1 | 75% | 0.748 | 83% | 0.826 | S | S | * | * | trans | -140.8 | 126.1 | -170.8 | 42.6 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 386 | L | 28.2 | Very low | 27.9 | Very low | 174 Ų | 174 | 154.5 Ų | 154.5 | 91% | 0.911 | 82% | 0.822 | S | S | * | * | trans | -143.5 | 109 | 165.4 | -73.9 | 172.7 | 0 | 0 | 0 | 107.2 | ||||
| 387 | V | 26.9 | Very low | 27.9 | Very low | 116 Ų | 116 | 153.6 Ų | 153.6 | 70% | 0.703 | 81% | 0.81 | S | S | * | * | 90.3 | 88.4 | 50.6 | -179.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 388 | V | 25.9 | Very low | 28.1 | Very low | 121 Ų | 121 | 154.1 Ų | 154.1 | 73% | 0.733 | 81% | 0.812 | S | S | * | * | trans | 53.8 | 124.4 | 133.2 | -179.2 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 389 | K | 28.2 | Very low | 27.9 | Very low | 202 Ų | 202 | 151.2 Ų | 151.2 | 88% | 0.878 | 81% | 0.805 | S | S | * | * | -165.2 | 122.7 | 123.3 | -112.5 | 173.8 | -175.9 | -179.1 | 0 | 115 | |||||
| 390 | D | 26.7 | Very low | 28.1 | Very low | 145 Ų | 145 | 156.4 Ų | 156.4 | 78% | 0.775 | 81% | 0.811 | S | S | * | * | trans | -87.5 | 154.9 | 162.7 | -58.5 | -72.3 | 0 | 0 | 0 | 111.6 | ||||
| 391 | E | 30 | Very low | 28.1 | Very low | 171 Ų | 171 | 153.5 Ų | 153.5 | 80% | 0.799 | 81% | 0.805 | S | S | * | * | trans | -142.9 | 112.1 | 143.3 | -91.1 | -145.8 | 132.2 | 0 | 0 | 111.2 | ||||
| 392 | L | 26.1 | Very low | 28.3 | Very low | 156 Ų | 156 | 154 Ų | 154 | 82% | 0.817 | 80% | 0.802 | S | S | * | * | trans | -85.3 | 132.4 | 168.5 | -92.4 | 158.2 | 0 | 0 | 0 | 110.7 | ||||
| 393 | R | 30.9 | Very low | 28.6 | Very low | 219 Ų | 219 | 155.3 Ų | 155.3 | 83% | 0.826 | 80% | 0.796 | S | S | * | * | trans | -140.3 | 103.2 | 159 | -73.4 | -161.4 | 178.1 | -165.4 | 0.1 | 113.9 | ||||
| 394 | L | 28 | Very low | 28.8 | Very low | 155 Ų | 155 | 155.6 Ų | 155.6 | 81% | 0.812 | 79% | 0.788 | S | S | * | * | trans | -65.7 | 149.7 | 163.5 | -68.9 | 125.5 | 0 | 0 | 0 | 111.9 | ||||
| 395 | R | 30.3 | Very low | 29.1 | Very low | 254 Ų | 254 | 153.4 Ų | 153.4 | 96% | 0.958 | 78% | 0.777 | S | S | * | * | trans | -147.8 | 165.1 | 142.9 | -111.5 | 172.3 | -168.9 | -167.1 | 1.6 | 110.4 | ||||
| 396 | K | 28.6 | Very low | 29.5 | Very low | 161 Ų | 161 | 154.9 Ų | 154.9 | 70% | 0.7 | 77% | 0.773 | S | S | * | * | trans | -145.1 | 155.9 | -141.6 | -144.2 | -174.6 | 164.4 | -75.4 | 0 | 112.7 | ||||
| 397 | D | 29.5 | Very low | 29.9 | Very low | 103 Ų | 103 | 153.2 Ų | 153.2 | 55% | 0.551 | 77% | 0.765 | S | S | * | * | trans | 58.4 | 123.2 | 159.8 | -51.6 | -39.6 | 0 | 0 | 0 | 119.1 | ||||
| 398 | N | 32.4 | Very low | 30.6 | Very low | 167 Ų | 167 | 153.3 Ų | 153.3 | 89% | 0.893 | 76% | 0.758 | S | S | * | * | -172.1 | 148.3 | 98.1 | -96.8 | -71 | 0 | 0 | 0 | 112.2 | |||||
| 399 | S | 25.4 | Very low | 31.1 | Very low | 109 Ų | 109 | 152.3 Ų | 152.3 | 76% | 0.762 | 75% | 0.747 | S | S | * | * | trans | -108.2 | 155.8 | -170.5 | 56.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 400 | R | 30.3 | Very low | 31.5 | Very low | 238 Ų | 238 | 146.6 Ų | 146.6 | 90% | 0.898 | 73% | 0.725 | S | S | * | * | trans | -167 | 113 | 151.6 | -110.7 | 162.5 | -166.2 | -161.2 | 1.8 | 115.3 | ||||
| 401 | S | 29.8 | Very low | 32 | Very low | 109 Ų | 109 | 141.5 Ų | 141.5 | 76% | 0.762 | 71% | 0.707 | S | S | * | * | trans | 48.1 | 120.3 | 142 | 55.7 | 0 | 0 | 0 | 0 | 122.7 | ||||
| 402 | L | 30.2 | Very low | 32.5 | Very low | 149 Ų | 149 | 139.3 Ų | 139.3 | 78% | 0.78 | 70% | 0.695 | S | S | * | * | trans | -57.4 | 156.2 | 151.3 | -93.2 | 85.7 | 0 | 0 | 0 | 112.4 | ||||
| 403 | P | 34.4 | Very low | 32.9 | Very low | 109 Ų | 109 | 136.7 Ų | 136.7 | 71% | 0.708 | 68% | 0.681 | S | S | * | * | -142.5 | 172.5 | 78 | 29.5 | -7.8 | 0 | 0 | 0 | 116.2 | |||||
| 404 | D | 30.8 | Very low | 33.2 | Very low | 120 Ų | 120 | 131.3 Ų | 131.3 | 64% | 0.642 | 67% | 0.669 | S | S | * | * | cis | -159 | 0.1 | -24.9 | -96.8 | -16.7 | 0 | 0 | 0 | 114.4 | F406 | D404-F406 VanDerWaalsContact C-N 3.29Å; D404-F406 PolarHBondContact O-N 3.38Å | ||
| 405 | D | 36.1 | Very low | 33.6 | Very low | 122 Ų | 122 | 129.2 Ų | 129.2 | 65% | 0.652 | 66% | 0.659 | S | S | * | * | trans | -65.4 | 14.6 | -149.8 | -59.3 | -14.3 | 0 | 0 | 0 | 120.4 | N407 E408 I409 | D405-N407 VanDerWaalsContact C-N 3.27Å; D405-N407 PolarHBondContact O-N 3.46Å; D405-N407 VanDerWaalsContact O-N 3.11Å; D405-E408 PolarHBondContact O-N 3.19Å; D405-I409 PolarHBondContact O-N 3.48Å | ||
| 406 | F | 31.5 | Very low | 33.9 | Very low | 153 Ų | 153 | 120.7 Ų | 120.7 | 67% | 0.671 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -60.1 | -30.8 | -169.2 | -143.2 | -96.3 | 0 | 0 | 0 | 114.7 | D404 I410 | D404-F406 VanDerWaalsContact C-N 3.29Å; D404-F406 PolarHBondContact O-N 3.38Å; F406-I410 HydrophobicContact CD1-CD1 3.99Å; F406-I410 HydrophobicContact CE1-CD1 4.2Å; F406-I410 PolarHBondContact O-N 2.87Å |
| 407 | N | 35.9 | Very low | 34.1 | Very low | 139 Ų | 139 | 120 Ų | 120 | 74% | 0.743 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -75.2 | -27.2 | 178.4 | -70.9 | -51.5 | 0 | 0 | 0 | 113.7 | D405 G411 | D405-N407 VanDerWaalsContact C-N 3.27Å; D405-N407 PolarHBondContact O-N 3.46Å; D405-N407 VanDerWaalsContact O-N 3.11Å; N407-G411 PolarHBondContact O-N 2.7Å |
| 408 | E | 41.8 | Very low | 34.5 | Very low | 118 Ų | 118 | 120.5 Ų | 120.5 | 55% | 0.551 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -78.5 | -25.8 | 178.5 | -170.8 | 168.8 | 153.3 | 0 | 0 | 111.6 | D405 K412 | D405-E408 PolarHBondContact O-N 3.19Å; E408-K412 HydrophobicContact CG-CD 4.33Å; E408-K412 WeakPolarHBondContact O-CD 3.26Å; E408-K412 VanDerWaalsContact O-CG 3.3Å; E408-K412 WeakPolarHBondContact O-CG 3.46Å; E408-K412 PolarHBondContact O-N 2.97Å; E408-K412 VanDerWaalsContact OE1-CE 3.27Å; E408-K412 WeakPolarHBondContact OE1-CE 3.49Å; E408-K412 IonicContact OE1-NZ 3.43Å; E408-K412 PolarHBondContact OE1-NZ 3.22Å |
| 409 | I | 35.9 | Very low | 34.7 | Very low | 99 Ų | 99 | 116.9 Ų | 116.9 | 51% | 0.508 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -70.2 | -48.9 | 173.8 | -62.7 | 172.6 | 0 | 0 | 0 | 110.5 | D405 G411 K412 L413 | D405-I409 PolarHBondContact O-N 3.48Å; I409-G411 PolarHBondContact O-N 3.47Å; I409-K412 PolarHBondContact O-N 3.28Å; I409-K412 VanDerWaalsContact O-N 3.15Å; I409-L413 PolarHBondContact O-N 3.24Å |
| 410 | I | 37.4 | Very low | 35.2 | Very low | 83 Ų | 83 | 117.4 Ų | 117.4 | 43% | 0.426 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -60.1 | -47 | 177.5 | -65.1 | 171.3 | 0 | 0 | 0 | 110.6 | F406 K412 L413 D414 | F406-I410 HydrophobicContact CD1-CD1 3.99Å; F406-I410 HydrophobicContact CE1-CD1 4.2Å; F406-I410 PolarHBondContact O-N 2.87Å; I410-K412 PolarHBondContact O-N 3.32Å; I410-K412 VanDerWaalsContact O-N 3.11Å; I410-L413 PolarHBondContact O-N 3.48Å; I410-D414 PolarHBondContact O-N 2.64Å |
| 411 | G | 36.9 | Very low | 35.3 | Very low | 38 Ų | 38 | 114.3 Ų | 114.3 | 39% | 0.392 | 62% | 0.618 | S | S | . | * | H | α-helix | trans | -62.9 | -17.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | N407 I409 N415 | N407-G411 PolarHBondContact O-N 2.7Å; I409-G411 PolarHBondContact O-N 3.47Å; G411-N415 PolarHBondContact O-ND2 2.95Å |
| 412 | K | 39.5 | Very low | 35.4 | Very low | 124 Ų | 124 | 114.5 Ų | 114.5 | 54% | 0.539 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -93.7 | -35 | 173.9 | -73.3 | 171.9 | -173.9 | 169.7 | 0 | 112.7 | E408 I409 I410 N415 A416 | E408-K412 HydrophobicContact CG-CD 4.33Å; E408-K412 WeakPolarHBondContact O-CD 3.26Å; E408-K412 VanDerWaalsContact O-CG 3.3Å; E408-K412 WeakPolarHBondContact O-CG 3.46Å; E408-K412 PolarHBondContact O-N 2.97Å; E408-K412 VanDerWaalsContact OE1-CE 3.27Å; E408-K412 WeakPolarHBondContact OE1-CE 3.49Å; E408-K412 IonicContact OE1-NZ 3.43Å; E408-K412 PolarHBondContact OE1-NZ 3.22Å; I409-K412 PolarHBondContact O-N 3.28Å; I409-K412 VanDerWaalsContact O-N 3.15Å; I410-K412 PolarHBondContact O-N 3.32Å; I410-K412 VanDerWaalsContact O-N 3.11Å; K412-N415 PolarHBondContact O-N 3.31Å; K412-A416 PolarHBondContact O-N 3.14Å |
| 413 | L | 34.6 | Very low | 35.7 | Very low | 101 Ų | 101 | 114.4 Ų | 114.4 | 53% | 0.529 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -57.7 | -50.3 | 175.2 | -118.3 | 70 | 0 | 0 | 0 | 111.5 | I409 I410 N415 A416 L417 | I409-L413 PolarHBondContact O-N 3.24Å; I410-L413 PolarHBondContact O-N 3.48Å; L413-N415 PolarHBondContact O-N 2.93Å; L413-N415 VanDerWaalsContact O-N 3.16Å; L413-A416 PolarHBondContact O-N 3.27Å; L413-L417 PolarHBondContact O-N 3.39Å |
| 414 | D | 36.9 | Very low | 35.9 | Very low | 106 Ų | 106 | 115 Ų | 115 | 57% | 0.567 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.1 | -19.3 | -176.3 | -72.2 | -13.4 | 0 | 0 | 0 | 114 | I410 | I410-D414 PolarHBondContact O-N 2.64Å |
| 415 | N | 38.1 | Very low | 35.8 | Very low | 112 Ų | 112 | 118 Ų | 118 | 60% | 0.599 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -99.2 | -25 | -178.7 | -76 | -76.4 | 0 | 0 | 0 | 113.8 | G411 K412 L413 N419 | G411-N415 PolarHBondContact O-ND2 2.95Å; K412-N415 PolarHBondContact O-N 3.31Å; L413-N415 PolarHBondContact O-N 2.93Å; L413-N415 VanDerWaalsContact O-N 3.16Å; N415-N419 PolarHBondContact O-ND2 3.43Å; N415-N419 VanDerWaalsContact O-ND2 3.14Å |
| 416 | A | 35.5 | Very low | 35.3 | Very low | 74 Ų | 74 | 118.2 Ų | 118.2 | 61% | 0.612 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -79.6 | -41.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | K412 L413 L418 | K412-A416 PolarHBondContact O-N 3.14Å; L413-A416 PolarHBondContact O-N 3.27Å; A416-L418 PolarHBondContact O-N 3.05Å |
| 417 | L | 33.8 | Very low | 35.3 | Very low | 148 Ų | 148 | 119.2 Ų | 119.2 | 78% | 0.775 | 62% | 0.618 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.9 | -0.9 | -175.1 | -73.3 | 165.7 | 0 | 0 | 0 | 115 | L413 | L413-L417 PolarHBondContact O-N 3.39Š|
| 418 | L | 37.5 | Very low | 35 | Very low | 112 Ų | 112 | 119.1 Ų | 119.1 | 59% | 0.586 | 62% | 0.622 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -112.7 | 1.1 | -165.1 | -112.8 | 171.5 | 0 | 0 | 0 | 115.8 | A416 L422 | A416-L418 PolarHBondContact O-N 3.05Å; L418-L422 HydrophobicContact CD2-CD1 3.87Å |
| 419 | N | 35.7 | Very low | 34.4 | Very low | 91 Ų | 91 | 119.5 Ų | 119.5 | 49% | 0.487 | 63% | 0.626 | S | S | . | * | S | Bend | trans | -118.1 | -33.4 | -166.4 | -81.8 | -71 | 0 | 0 | 0 | 117.5 | N415 K423 | N415-N419 PolarHBondContact O-ND2 3.43Å; N415-N419 VanDerWaalsContact O-ND2 3.14Å; N419-K423 PolarHBondContact O-NZ 3.35Å |
| 420 | D | 35.9 | Very low | 33.9 | Very low | 120 Ų | 120 | 122.7 Ų | 122.7 | 64% | 0.642 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -109.5 | -35.5 | -161.6 | -66 | -43.7 | 0 | 0 | 0 | 116.3 | K423 | D420-K423 IonicContact OD1-NZ 3.54Å; D420-K423 PolarHBondContact OD1-NZ 3.21Å |
| 421 | E | 33.2 | Very low | 33.4 | Very low | 173 Ų | 173 | 124.3 Ų | 124.3 | 81% | 0.808 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -73.9 | -31.6 | 171.4 | -67.6 | -170.8 | 134.1 | 0 | 0 | 113 | K423 I424 | E421-K423 PolarHBondContact O-N 3.35Å; E421-I424 PolarHBondContact O-N 3.12Å |
| 422 | L | 31.7 | Very low | 32.8 | Very low | 114 Ų | 114 | 129.4 Ų | 129.4 | 60% | 0.597 | 67% | 0.671 | S | S | * | * | G | 310 helix | trans | -68.6 | 2.9 | -174.7 | -79 | 168.2 | 0 | 0 | 0 | 115.1 | L418 | L418-L422 HydrophobicContact CD2-CD1 3.87Š|
| 423 | K | 36.7 | Very low | 32.2 | Very low | 146 Ų | 146 | 133.3 Ų | 133.3 | 64% | 0.635 | 69% | 0.691 | S | S | * | * | G | 310 helix | trans | -95.2 | -16.2 | 174.8 | -65.8 | -171.8 | -170.7 | 85.4 | 0 | 114.3 | N419 D420 E421 | N419-K423 PolarHBondContact O-NZ 3.35Å; D420-K423 IonicContact OD1-NZ 3.54Å; D420-K423 PolarHBondContact OD1-NZ 3.21Å; E421-K423 PolarHBondContact O-N 3.35Å |
| 424 | I | 38.1 | Very low | 31.7 | Very low | 122 Ų | 122 | 133 Ų | 133 | 63% | 0.626 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.8 | -29.6 | -170.8 | -58 | -178.8 | 0 | 0 | 0 | 112.2 | E421 | E421-I424 PolarHBondContact O-N 3.12Š|
| 425 | Y | 29.6 | Very low | 31.1 | Very low | 183 Ų | 183 | 133.5 Ų | 133.5 | 72% | 0.718 | 70% | 0.704 | S | S | * | * | trans | -127.9 | 88.7 | -179.6 | -67.3 | -75 | 0 | 0 | 0 | 112.7 | E427 | Y425-E427 PolarHBondContact O-N 3.01Š| ||
| 426 | P | 25.5 | Very low | 30.6 | Very low | 126 Ų | 126 | 136.4 Ų | 136.4 | 82% | 0.818 | 71% | 0.711 | S | S | * | * | trans | -80.6 | 40.3 | -175.6 | 35.2 | -38 | 0 | 0 | 0 | 113.8 | ||||
| 427 | E | 30.7 | Very low | 30.2 | Very low | 174 Ų | 174 | 138 Ų | 138 | 81% | 0.813 | 72% | 0.717 | S | S | * | * | trans | -149.7 | 39.3 | -175.7 | -146.6 | 162.2 | -122.5 | 0 | 0 | 114.8 | Y425 | Y425-E427 PolarHBondContact O-N 3.01Š| ||
| 428 | V | 30.4 | Very low | 29.7 | Very low | 137 Ų | 137 | 139.9 Ų | 139.9 | 83% | 0.83 | 73% | 0.727 | S | S | * | * | trans | -113.6 | 121.9 | 162.7 | -175.7 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 429 | I | 28.7 | Very low | 29.1 | Very low | 127 Ų | 127 | 138.9 Ų | 138.9 | 65% | 0.651 | 73% | 0.729 | S | S | * | * | trans | -116.2 | 145.6 | -163.2 | -68.5 | 170.5 | 0 | 0 | 0 | 110.4 | I431 | I429-I431 HydrophobicContact CG2-CG1 4.47Å; I429-I431 PolarHBondContact O-N 3.5Å; I429-I431 VanDerWaalsContact O-N 3.17Å | ||
| 430 | N | 25.3 | Very low | 28.6 | Very low | 165 Ų | 165 | 139.5 Ų | 139.5 | 88% | 0.882 | 74% | 0.74 | S | S | * | * | trans | -52.3 | 116.1 | 165.8 | -86.2 | -3.2 | 0 | 0 | 0 | 110.7 | ||||
| 431 | I | 26.5 | Very low | 28.2 | Very low | 117 Ų | 117 | 141.6 Ų | 141.6 | 60% | 0.6 | 75% | 0.747 | S | S | * | * | trans | -127.4 | 100.9 | 171.2 | -64.3 | 179.8 | 0 | 0 | 0 | 108.4 | I429 V435 | I429-I431 HydrophobicContact CG2-CG1 4.47Å; I429-I431 PolarHBondContact O-N 3.5Å; I429-I431 VanDerWaalsContact O-N 3.17Å; I431-V435 HydrophobicContact CG2-CB 4.44Å; I431-V435 HydrophobicContact CG2-CG2 3.82Å | ||
| 432 | D | 25.3 | Very low | 27.8 | Very low | 145 Ų | 145 | 137.8 Ų | 137.8 | 78% | 0.775 | 74% | 0.739 | S | S | * | * | trans | -53.8 | 159.5 | 159 | -85.5 | -52.6 | 0 | 0 | 0 | 110.5 | S434 | D432-S434 VanDerWaalsContact C-N 3.33Å; D432-S434 PolarHBondContact O-N 3.21Å; D432-S434 PolarHBondContact O-OG 3.14Å | ||
| 433 | E | 26.4 | Very low | 27.5 | Very low | 207 Ų | 207 | 138.9 Ų | 138.9 | 97% | 0.967 | 75% | 0.745 | S | S | * | * | S | Bend | trans | -55.8 | 78.5 | -176.2 | -59.7 | -179.4 | 108.3 | 0 | 0 | 114.2 | ||
| 434 | S | 24.3 | Very low | 27 | Very low | 95 Ų | 95 | 138.8 Ų | 138.8 | 66% | 0.664 | 75% | 0.751 | S | S | * | * | trans | -157.6 | 16.4 | -167.1 | 60.4 | 0 | 0 | 0 | 0 | 116.6 | D432 | D432-S434 VanDerWaalsContact C-N 3.33Å; D432-S434 PolarHBondContact O-N 3.21Å; D432-S434 PolarHBondContact O-OG 3.14Å | ||
| 435 | V | 24.3 | Very low | 26.4 | Very low | 115 Ų | 115 | 142.6 Ų | 142.6 | 70% | 0.697 | 76% | 0.763 | S | S | * | * | trans | -137.5 | 105.4 | 177.5 | -173.2 | 0 | 0 | 0 | 0 | 112.8 | I431 | I431-V435 HydrophobicContact CG2-CB 4.44Å; I431-V435 HydrophobicContact CG2-CG2 3.82Å | ||
| 436 | K | 27.4 | Very low | 26.3 | Very low | 174 Ų | 174 | 142.2 Ų | 142.2 | 76% | 0.757 | 77% | 0.766 | S | S | * | * | trans | -137.8 | 144.7 | 163 | -88.4 | -179.3 | -179.7 | 167.6 | 0 | 112.7 | L438 | K436-L438 PolarHBondContact O-N 3.35Š| ||
| 437 | C | 26.3 | Very low | 26.4 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 73% | 0.73 | 77% | 0.766 | S | S | * | * | trans | 52.9 | 41.8 | 148.1 | -61.2 | 0 | 0 | 0 | 0 | 121.4 | S439 | C437-S439 VanDerWaalsContact C-N 3.33Å; C437-S439 PolarHBondContact O-N 3.11Å | ||
| 438 | L | 23.7 | Very low | 26.2 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 97% | 0.974 | 77% | 0.768 | S | S | * | * | trans | -74.4 | 86 | 151.8 | -87.1 | 174.9 | 0 | 0 | 0 | 111.1 | K436 | K436-L438 PolarHBondContact O-N 3.35Š| ||
| 439 | S | 25.1 | Very low | 26 | Very low | 91 Ų | 91 | 146.2 Ų | 146.2 | 64% | 0.636 | 77% | 0.767 | S | S | * | * | trans | -139.7 | 147.6 | 164.5 | 77 | 0 | 0 | 0 | 0 | 111.8 | C437 | C437-S439 VanDerWaalsContact C-N 3.33Å; C437-S439 PolarHBondContact O-N 3.11Å | ||
| 440 | S | 25.6 | Very low | 26.1 | Very low | 104 Ų | 104 | 147.4 Ų | 147.4 | 73% | 0.727 | 77% | 0.774 | S | S | * | * | trans | 55 | 78.1 | -179.7 | 62.1 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 441 | Q | 27 | Very low | 26.2 | Very low | 165 Ų | 165 | 149.6 Ų | 149.6 | 77% | 0.771 | 78% | 0.776 | S | S | * | * | trans | -147.2 | 127.3 | 142.4 | -142.7 | 160.6 | -8 | 0 | 0 | 110.5 | ||||
| 442 | S | 24.4 | Very low | 26.2 | Very low | 92 Ų | 92 | 149.6 Ų | 149.6 | 64% | 0.643 | 79% | 0.785 | S | S | * | * | trans | -82.5 | 169.6 | 170.9 | 55.8 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 443 | D | 25.3 | Very low | 26.3 | Very low | 137 Ų | 137 | 150.5 Ų | 150.5 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 69.1 | 57.4 | 161.5 | -48.8 | -54.3 | 0 | 0 | 0 | 117.7 | ||||
| 444 | L | 26.3 | Very low | 26.3 | Very low | 145 Ų | 145 | 149.5 Ų | 149.5 | 76% | 0.759 | 78% | 0.78 | S | S | * | * | trans | -141.1 | 103.3 | 158.7 | -119.3 | 156.4 | 0 | 0 | 0 | 112.3 | F446 | L444-F446 HydrophobicContact CD2-CD2 4.43Å; L444-F446 HydrophobicContact CD2-CE2 4.02Å; L444-F446 PolarHBondContact O-N 3.39Å | ||
| 445 | F | 26.3 | Very low | 26.5 | Very low | 202 Ų | 202 | 150.8 Ų | 150.8 | 89% | 0.886 | 78% | 0.779 | S | S | * | * | trans | -82.8 | 100.8 | 177.4 | -81.6 | -96.4 | 0 | 0 | 0 | 111.4 | ||||
| 446 | F | 27.5 | Very low | 26.6 | Very low | 175 Ų | 175 | 155.5 Ų | 155.5 | 77% | 0.768 | 79% | 0.791 | S | S | * | * | trans | -79.8 | 127.5 | 165 | -85.8 | -87.5 | 0 | 0 | 0 | 111.4 | L444 | L444-F446 HydrophobicContact CD2-CD2 4.43Å; L444-F446 HydrophobicContact CD2-CE2 4.02Å; L444-F446 PolarHBondContact O-N 3.39Å | ||
| 447 | K | 27.8 | Very low | 26.7 | Very low | 189 Ų | 189 | 156.4 Ų | 156.4 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -80.2 | 125.1 | 169.5 | -77.2 | -174.5 | 173.7 | -175.3 | 0 | 110.1 | E449 | K447-E449 PolarHBondContact O-N 3.07Š| ||
| 448 | N | 26.8 | Very low | 26.7 | Very low | 161 Ų | 161 | 155 Ų | 155 | 86% | 0.861 | 79% | 0.794 | S | S | * | * | trans | -87.5 | 89.6 | 174.8 | -82.4 | -39.3 | 0 | 0 | 0 | 111.8 | ||||
| 449 | E | 25.4 | Very low | 27 | Very low | 170 Ų | 170 | 155 Ų | 155 | 79% | 0.794 | 79% | 0.786 | S | S | * | * | trans | -132.2 | 65.5 | 169.2 | -73 | -171 | 174.3 | 0 | 0 | 112.2 | K447 | K447-E449 PolarHBondContact O-N 3.07Š| ||
| 450 | D | 30.3 | Very low | 27.1 | Very low | 152 Ų | 152 | 158.3 Ų | 158.3 | 81% | 0.813 | 80% | 0.797 | S | S | * | * | trans | -163.4 | 75.3 | 153.3 | -121.2 | -23.9 | 0 | 0 | 0 | 114.3 | C452 | D450-C452 PolarHBondContact O-N 3.24Å; D450-C452 VanDerWaalsContact O-N 3.12Å | ||
| 451 | K | 27.9 | Very low | 27.2 | Very low | 211 Ų | 211 | 160.2 Ų | 160.2 | 92% | 0.917 | 80% | 0.798 | S | S | * | * | trans | -84.9 | 71.9 | 175 | -81.5 | -172.3 | 176.1 | 177.1 | 0 | 112.4 | K453 | K451-K453 PolarHBondContact O-N 3.14Š| ||
| 452 | C | 27.7 | Very low | 27.3 | Very low | 118 Ų | 118 | 161.3 Ų | 161.3 | 80% | 0.797 | 80% | 0.801 | S | S | * | * | trans | -67.3 | 109.1 | 166.2 | -91.2 | 0 | 0 | 0 | 0 | 111.2 | D450 M454 | D450-C452 PolarHBondContact O-N 3.24Å; D450-C452 VanDerWaalsContact O-N 3.12Å; C452-M454 PolarHBondContact O-N 3.33Å | ||
| 453 | K | 26.5 | Very low | 27.4 | Very low | 164 Ų | 164 | 161.4 Ų | 161.4 | 71% | 0.713 | 80% | 0.801 | S | S | * | * | trans | -69.3 | 111.3 | -179.6 | -65.6 | -179.2 | 178.3 | -178 | 0 | 111.9 | K451 | K451-K453 PolarHBondContact O-N 3.14Š| ||
| 454 | M | 26.6 | Very low | 27.5 | Very low | 185 Ų | 185 | 160.6 Ų | 160.6 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -91.5 | 124.6 | 154 | -92.3 | -66.2 | 112.4 | 0 | 0 | 109.7 | C452 | C452-M454 PolarHBondContact O-N 3.33Š| ||
| 455 | N | 28.5 | Very low | 27.5 | Very low | 123 Ų | 123 | 158.7 Ų | 158.7 | 66% | 0.658 | 81% | 0.805 | S | S | * | * | trans | -82.4 | 135.7 | -173.1 | -77.1 | -33.3 | 0 | 0 | 0 | 112.2 | Y457 | N455-Y457 VanDerWaalsContact C-N 3.32Å; N455-Y457 HydrophobicContact CB-CD2 4.25Å; N455-Y457 PolarHBondContact O-N 3.01Å | ||
| 456 | K | 26.9 | Very low | 27.8 | Very low | 214 Ų | 214 | 158.7 Ų | 158.7 | 93% | 0.93 | 81% | 0.808 | S | S | * | * | trans | -64.5 | 90.3 | 156 | -88.5 | -174.8 | 171.1 | 179.3 | 0 | 109.6 | ||||
| 457 | Y | 29.5 | Very low | 27.8 | Very low | 193 Ų | 193 | 159.3 Ų | 159.3 | 76% | 0.757 | 81% | 0.813 | S | S | * | * | trans | -143.7 | 84.8 | 165.8 | -94.4 | -66.9 | 0 | 0 | 0 | 111.5 | N455 K459 | N455-Y457 VanDerWaalsContact C-N 3.32Å; N455-Y457 HydrophobicContact CB-CD2 4.25Å; N455-Y457 PolarHBondContact O-N 3.01Å; Y457-K459 PolarHBondContact O-N 3.4Å | ||
| 458 | G | 24.8 | Very low | 28 | Very low | 78 Ų | 78 | 158.7 Ų | 158.7 | 80% | 0.804 | 81% | 0.813 | S | S | * | * | trans | -76.3 | 109.6 | 162 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 459 | K | 30.8 | Very low | 28.2 | Very low | 186 Ų | 186 | 157.8 Ų | 157.8 | 81% | 0.809 | 81% | 0.808 | S | S | * | * | trans | -168.9 | 103.4 | 157.7 | -110.5 | 157.8 | -172.9 | 172.9 | 0 | 113 | Y457 | Y457-K459 PolarHBondContact O-N 3.4Š| ||
| 460 | N | 26.7 | Very low | 28.6 | Very low | 161 Ų | 161 | 158 Ų | 158 | 86% | 0.861 | 81% | 0.813 | S | S | * | * | trans | 16 | 104.7 | 149.6 | -53.7 | -1.6 | 0 | 0 | 0 | 117.8 | ||||
| 461 | L | 28.7 | Very low | 28.7 | Very low | 143 Ų | 143 | 159.7 Ų | 159.7 | 75% | 0.749 | 81% | 0.813 | S | S | * | * | trans | -142.9 | 96.5 | 164.9 | -75 | 177.6 | 0 | 0 | 0 | 112.1 | ||||
| 462 | F | 27.9 | Very low | 28.9 | Very low | 189 Ų | 189 | 160.3 Ų | 160.3 | 83% | 0.829 | 81% | 0.81 | S | S | * | * | trans | 61.1 | 159.5 | 150.8 | -60.8 | -74.4 | 0 | 0 | 0 | 120 | ||||
| 463 | S | 26.3 | Very low | 29 | Very low | 93 Ų | 93 | 161 Ų | 161 | 65% | 0.65 | 81% | 0.805 | S | S | * | * | cis | 178.7 | 152.7 | -41.4 | 54.6 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 464 | S | 27.5 | Very low | 29.2 | Very low | 120 Ų | 120 | 162.6 Ų | 162.6 | 84% | 0.839 | 81% | 0.808 | S | S | * | * | trans | 70.8 | 131.7 | 173.6 | -166.4 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 465 | S | 27.1 | Very low | 29.2 | Very low | 105 Ų | 105 | 163.2 Ų | 163.2 | 73% | 0.734 | 80% | 0.801 | S | S | * | * | cis | -147.5 | 126.9 | 7.3 | 48.1 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 466 | E | 31.9 | Very low | 29.3 | Very low | 203 Ų | 203 | 163.1 Ų | 163.1 | 95% | 0.949 | 80% | 0.799 | S | S | * | * | -155 | 142.5 | 126.4 | -116.3 | 171.5 | -171.2 | 0 | 0 | 108.3 | |||||
| 467 | Q | 27.5 | Very low | 29.4 | Very low | 187 Ų | 187 | 159.4 Ų | 159.4 | 87% | 0.874 | 79% | 0.785 | S | S | * | * | trans | -142.3 | 96.9 | -166.2 | -179.1 | -171.2 | -5.6 | 0 | 0 | 110.7 | ||||
| 468 | Q | 33.1 | Very low | 29.1 | Very low | 177 Ų | 177 | 158.3 Ų | 158.3 | 83% | 0.827 | 79% | 0.789 | S | S | * | * | trans | -159 | 119.9 | 154.3 | -115.6 | 153 | 28.5 | 0 | 0 | 112.1 | ||||
| 469 | D | 30.8 | Very low | 29.4 | Very low | 141 Ų | 141 | 161.4 Ų | 161.4 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | 40.4 | 113.9 | 146.6 | -48.9 | -30.4 | 0 | 0 | 0 | 118.6 | ||||
| 470 | I | 33.9 | Very low | 29.2 | Very low | 175 Ų | 175 | 161.1 Ų | 161.1 | 90% | 0.897 | 79% | 0.794 | S | S | * | * | -156.9 | 154 | 75.2 | -88.7 | 156.4 | 0 | 0 | 0 | 111.9 | |||||
| 471 | K | 31.5 | Very low | 29.4 | Very low | 188 Ų | 188 | 159.6 Ų | 159.6 | 82% | 0.817 | 80% | 0.796 | S | S | * | * | trans | -108.2 | 139.7 | -175.4 | -64.8 | 174.5 | 177.3 | 173.3 | 0 | 114.4 | ||||
| 472 | R | 31.8 | Very low | 29.4 | Very low | 223 Ų | 223 | 156 Ų | 156 | 84% | 0.842 | 79% | 0.794 | S | S | * | * | trans | 162.8 | 124.7 | 130.7 | -89 | 154.4 | 175.2 | 155.4 | -2.7 | 109.3 | ||||
| 473 | N | 30.2 | Very low | 29.3 | Very low | 132 Ų | 132 | 154.1 Ų | 154.1 | 71% | 0.706 | 79% | 0.793 | S | S | * | * | 60.4 | 128.2 | 81.2 | -58.3 | 14.4 | 0 | 0 | 0 | 111.8 | |||||
| 474 | Y | 30.9 | Very low | 29.3 | Very low | 199 Ų | 199 | 158.6 Ų | 158.6 | 78% | 0.78 | 80% | 0.801 | S | S | * | * | cis | -131.5 | 165.3 | 19.3 | -73.9 | -111.4 | 0 | 0 | 0 | 110.2 | ||||
| 475 | R | 27.6 | Very low | 29.4 | Very low | 198 Ų | 198 | 160.2 Ų | 160.2 | 75% | 0.747 | 80% | 0.799 | S | S | * | * | cis | 87.5 | 142.1 | 21.6 | -165.6 | 178.2 | 178 | -154.4 | -9.1 | 115.9 | E477 | R475-E477 IonicContact NH2-OE1 3.68Å; R475-E477 PolarHBondContact NH2-OE1 2.9Å | ||
| 476 | L | 29 | Very low | 29.2 | Very low | 121 Ų | 121 | 165.2 Ų | 165.2 | 63% | 0.634 | 80% | 0.802 | S | S | * | * | trans | 89.8 | 143.1 | 175.7 | -50 | 173.9 | 0 | 0 | 0 | 112.8 | ||||
| 477 | E | 29.5 | Very low | 29.1 | Very low | 135 Ų | 135 | 163.3 Ų | 163.3 | 63% | 0.631 | 80% | 0.798 | S | S | * | * | cis | 177.1 | 124.4 | -25 | -107.2 | 158.4 | -151.6 | 0 | 0 | 103 | R475 | R475-E477 IonicContact NH2-OE1 3.68Å; R475-E477 PolarHBondContact NH2-OE1 2.9Å | ||
| 478 | M | 24.1 | Very low | 29 | Very low | 170 Ų | 170 | 160.7 Ų | 160.7 | 84% | 0.837 | 79% | 0.791 | S | S | * | * | 64.3 | 105.4 | 88 | -80.5 | -68.6 | -150.3 | 0 | 0 | 116.7 | |||||
| 479 | T | 30.6 | Very low | 28.8 | Very low | 144 Ų | 144 | 159.3 Ų | 159.3 | 88% | 0.883 | 79% | 0.794 | S | S | * | * | trans | -154.6 | 153.2 | 145.7 | 13 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 480 | E | 26.4 | Very low | 28.6 | Very low | 179 Ų | 179 | 156 Ų | 156 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | -106.1 | -168.8 | -176.3 | -60.6 | 168.7 | 112.5 | 0 | 0 | 111.7 | ||||
| 481 | S | 30.9 | Very low | 28.2 | Very low | 129 Ų | 129 | 156.1 Ų | 156.1 | 90% | 0.902 | 80% | 0.796 | S | S | * | * | trans | 75.4 | 147.2 | -179.7 | 77.1 | 0 | 0 | 0 | 0 | 116 | ||||
| 482 | G | 28.2 | Very low | 28.1 | Very low | 69 Ų | 69 | 151 Ų | 151 | 71% | 0.711 | 80% | 0.797 | S | S | * | * | cis | -167.8 | 178.1 | -1.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 483 | D | 25.5 | Very low | 27.8 | Very low | 149 Ų | 149 | 146.2 Ų | 146.2 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | trans | -59.1 | 159.2 | 179.7 | -50.6 | -82.7 | 0 | 0 | 0 | 113.2 | ||||
| 484 | F | 27.8 | Very low | 27.9 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 82% | 0.82 | 79% | 0.794 | S | S | * | * | 177.9 | 120.2 | 110.2 | -107.3 | -87.1 | 0 | 0 | 0 | 113.4 | |||||
| 485 | L | 28.2 | Very low | 27.8 | Very low | 153 Ų | 153 | 142.9 Ų | 142.9 | 80% | 0.801 | 78% | 0.781 | S | S | * | * | trans | 38.7 | 144.3 | 147.5 | -86.2 | 160.3 | 0 | 0 | 0 | 124.3 | ||||
| 486 | W | 24.5 | Very low | 27.9 | Very low | 210 Ų | 210 | 138.3 Ų | 138.3 | 80% | 0.795 | 79% | 0.786 | S | S | * | * | trans | -55.9 | 154.2 | 170.3 | -70.7 | 22.6 | 0 | 0 | 0 | 114.8 | ||||
| 487 | N | 29.4 | Very low | 27.9 | Very low | 163 Ų | 163 | 137.8 Ų | 137.8 | 87% | 0.872 | 79% | 0.788 | S | S | * | * | -159.6 | 144.6 | 118.2 | -103.6 | -36.2 | 0 | 0 | 0 | 113.4 | |||||
| 488 | N | 25.2 | Very low | 27.9 | Very low | 133 Ų | 133 | 138.3 Ų | 138.3 | 71% | 0.711 | 79% | 0.793 | S | S | * | * | trans | -81.9 | 135 | 168.1 | -68.6 | -51.1 | 0 | 0 | 0 | 110.1 | ||||
| 489 | T | 27.7 | Very low | 28.2 | Very low | 147 Ų | 147 | 138.1 Ų | 138.1 | 90% | 0.902 | 79% | 0.79 | S | S | * | * | trans | -175.5 | 140.7 | 140.1 | 24.1 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 490 | G | 26.7 | Very low | 28.2 | Very low | 73 Ų | 73 | 137.2 Ų | 137.2 | 75% | 0.753 | 78% | 0.78 | S | S | * | * | trans | 95.3 | 108.6 | 130.6 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 491 | N | 27.4 | Very low | 28.5 | Very low | 177 Ų | 177 | 136.5 Ų | 136.5 | 95% | 0.947 | 78% | 0.782 | S | S | * | * | trans | -56.1 | 143.4 | 165.8 | -52.1 | -16.1 | 0 | 0 | 0 | 112.1 | ||||
| 492 | G | 29.4 | Very low | 28.7 | Very low | 80 Ų | 80 | 133.5 Ų | 133.5 | 83% | 0.825 | 77% | 0.772 | S | S | * | * | trans | -171.7 | 88.6 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 493 | L | 25.1 | Very low | 28.7 | Very low | 122 Ų | 122 | 135 Ų | 135 | 64% | 0.639 | 77% | 0.771 | S | S | * | * | trans | -90.2 | 136 | 169.5 | -111.8 | 162.2 | 0 | 0 | 0 | 109.8 | N1196 | L493-N1196 HydrophobicContact CD2-CB 4.22Š| ||
| 494 | I | 32.7 | Very low | 29 | Very low | 165 Ų | 165 | 136.6 Ų | 136.6 | 85% | 0.846 | 77% | 0.774 | S | S | * | * | trans | 171.8 | 138.3 | 142 | -91.8 | 155.1 | 0 | 0 | 0 | 109.8 | ||||
| 495 | D | 26.8 | Very low | 29.1 | Very low | 96 Ų | 96 | 132 Ų | 132 | 51% | 0.513 | 77% | 0.765 | S | S | . | * | trans | -71.2 | 156.1 | -179.7 | -72.9 | -68.7 | 0 | 0 | 0 | 115.9 | N1197 | D495-N1197 PolarHBondContact OD2-ND2 3.32Š| ||
| 496 | A | 31.2 | Very low | 29.1 | Very low | 103 Ų | 103 | 129.2 Ų | 129.2 | 85% | 0.851 | 76% | 0.758 | S | S | * | * | trans | -146.9 | 114.2 | 146.3 | 0 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 497 | T | 28.3 | Very low | 29.4 | Very low | 109 Ų | 109 | 126 Ų | 126 | 67% | 0.669 | 76% | 0.757 | S | S | * | * | trans | -92.5 | -175.9 | -176.8 | 50.6 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 498 | I | 29.8 | Very low | 29.4 | Very low | 146 Ų | 146 | 122.6 Ų | 122.6 | 75% | 0.749 | 75% | 0.746 | S | S | * | * | trans | 80.3 | 134.7 | 164.3 | -61 | 162.3 | 0 | 0 | 0 | 113.8 | ||||
| 499 | Q | 30.7 | Very low | 29.7 | Very low | 166 Ų | 166 | 124.6 Ų | 124.6 | 78% | 0.776 | 75% | 0.748 | S | S | * | * | cis | -147.5 | 171.6 | 11.1 | -148.3 | 148.2 | 19 | 0 | 0 | 115 | ||||
| 500 | D | 30.3 | Very low | 29.9 | Very low | 125 Ų | 125 | 124.7 Ų | 124.7 | 67% | 0.668 | 74% | 0.743 | S | S | * | * | trans | -58.1 | 156.1 | 171.4 | -42 | -100.3 | 0 | 0 | 0 | 116 | ||||
| 501 | N | 32.8 | Very low | 30.1 | Very low | 165 Ų | 165 | 125.5 Ų | 125.5 | 88% | 0.882 | 74% | 0.743 | S | S | * | * | 165.1 | 163.2 | 107.5 | -91.6 | -73.2 | 0 | 0 | 0 | 112.6 | |||||
| 502 | G | 34 | Very low | 30.2 | Very low | 66 Ų | 66 | 122 Ų | 122 | 68% | 0.68 | 74% | 0.738 | S | S | * | * | trans | 122 | 42.4 | 149.6 | 0 | 0 | 0 | 0 | 0 | 120.7 | ||||
| 503 | S | 29.8 | Very low | 30.3 | Very low | 100 Ų | 100 | 121.5 Ų | 121.5 | 70% | 0.699 | 73% | 0.733 | S | S | * | * | trans | 13.1 | 144.9 | 138 | 63.8 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 504 | Q | 31.1 | Very low | 30.5 | Very low | 182 Ų | 182 | 120.6 Ų | 120.6 | 85% | 0.85 | 74% | 0.737 | S | S | * | * | trans | 73.8 | 154.5 | 153.8 | -66.9 | 171.1 | 20.1 | 0 | 0 | 118.3 | ||||
| 505 | S | 29.7 | Very low | 30.3 | Very low | 90 Ų | 90 | 119 Ų | 119 | 63% | 0.629 | 74% | 0.735 | S | S | * | * | cis | -164.2 | 147 | -25 | 56.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 506 | S | 29.4 | Very low | 30.4 | Very low | 96 Ų | 96 | 119 Ų | 119 | 67% | 0.671 | 74% | 0.742 | S | S | * | * | trans | 51.7 | 137.8 | 142.2 | 77.7 | 0 | 0 | 0 | 0 | 124.1 | ||||
| 507 | N | 30.4 | Very low | 30.3 | Very low | 142 Ų | 142 | 119.1 Ų | 119.1 | 76% | 0.759 | 74% | 0.736 | S | S | * | * | trans | 82.2 | 86.2 | 134.8 | -70.4 | -21.6 | 0 | 0 | 0 | 123.7 | ||||
| 508 | S | 29.1 | Very low | 30.5 | Very low | 92 Ų | 92 | 121.2 Ų | 121.2 | 64% | 0.643 | 74% | 0.738 | S | S | * | * | 89.9 | 150.9 | 101.8 | 82.7 | 0 | 0 | 0 | 0 | 123 | |||||
| 509 | K | 31.5 | Very low | 30.4 | Very low | 175 Ų | 175 | 122.1 Ų | 122.1 | 76% | 0.761 | 74% | 0.739 | S | S | * | * | trans | 60.6 | 106.9 | 145.2 | -74 | 168.5 | -180 | 173.1 | 0 | 119.6 | ||||
| 510 | N | 31.4 | Very low | 30.4 | Very low | 148 Ų | 148 | 122.3 Ų | 122.3 | 79% | 0.791 | 75% | 0.746 | S | S | * | * | 175 | 138.2 | 96.7 | -85.7 | -39.8 | 0 | 0 | 0 | 109.1 | |||||
| 511 | A | 30.6 | Very low | 30.3 | Very low | 91 Ų | 91 | 120 Ų | 120 | 75% | 0.752 | 74% | 0.744 | S | S | * | * | 63.9 | 141.8 | 83.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | |||||
| 512 | A | 30.9 | Very low | 30.3 | Very low | 103 Ų | 103 | 116.1 Ų | 116.1 | 85% | 0.851 | 74% | 0.743 | S | S | * | * | cis | -155.1 | 180 | 9.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 513 | G | 31.3 | Very low | 30 | Very low | 69 Ų | 69 | 118.4 Ų | 118.4 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 106.9 | 142.3 | 155 | 0 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 514 | S | 28.6 | Very low | 29.8 | Very low | 103 Ų | 103 | 120 Ų | 120 | 72% | 0.72 | 74% | 0.743 | S | S | * | * | cis | 175.2 | 144.2 | -31.4 | 35.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 515 | T | 29.2 | Very low | 29.6 | Very low | 132 Ų | 132 | 120.6 Ų | 120.6 | 81% | 0.81 | 74% | 0.738 | S | S | * | * | trans | 61 | 158.4 | 153.6 | 49.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 516 | S | 28.8 | Very low | 29.6 | Very low | 95 Ų | 95 | 124.5 Ų | 124.5 | 66% | 0.664 | 74% | 0.743 | S | S | * | * | cis | -145.7 | 152.4 | -0.9 | 1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 517 | C | 27.7 | Very low | 29.5 | Very low | 106 Ų | 106 | 126.8 Ų | 126.8 | 72% | 0.716 | 74% | 0.741 | S | S | * | * | 52.3 | 138.8 | 85 | -40.5 | 0 | 0 | 0 | 0 | 113.4 | |||||
| 518 | H | 33.6 | Very low | 29.3 | Very low | 154 Ų | 154 | 127.8 Ų | 127.8 | 71% | 0.713 | 74% | 0.739 | S | S | * | * | cis | -127.4 | 154 | 8.8 | -92 | -88 | 0 | 0 | 0 | 109.7 | ||||
| 519 | E | 27 | Very low | 29.1 | Very low | 164 Ų | 164 | 128.8 Ų | 128.8 | 77% | 0.766 | 75% | 0.746 | S | S | * | * | 40.8 | 127.6 | 85.2 | -52.7 | -179 | 135.3 | 0 | 0 | 115 | |||||
| 520 | D | 31.5 | Very low | 29.1 | Very low | 171 Ų | 171 | 125.5 Ų | 125.5 | 91% | 0.914 | 75% | 0.745 | S | S | * | * | -159 | 155.2 | 110.8 | -138.5 | -25.2 | 0 | 0 | 0 | 111.8 | |||||
| 521 | A | 27.2 | Very low | 28.8 | Very low | 77 Ų | 77 | 126.8 Ų | 126.8 | 64% | 0.636 | 75% | 0.746 | S | S | * | * | trans | -116.8 | 114.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | V523 | A521-V523 WeakPolarHBondContact O-CG2 3.47Š| ||
| 522 | G | 32.8 | Very low | 28.6 | Very low | 83 Ų | 83 | 126.2 Ų | 126.2 | 86% | 0.856 | 74% | 0.737 | S | S | * | * | trans | -124.7 | 81.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 523 | V | 28 | Very low | 28.5 | Very low | 114 Ų | 114 | 127.6 Ų | 127.6 | 69% | 0.691 | 74% | 0.739 | S | S | * | * | 69.7 | 100.9 | 63.6 | -179.8 | 0 | 0 | 0 | 0 | 113.4 | A521 | A521-V523 WeakPolarHBondContact O-CG2 3.47Š| |||
| 524 | L | 26.3 | Very low | 28.4 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 70% | 0.696 | 74% | 0.738 | S | S | * | * | trans | 74.4 | 139.7 | 149.3 | -72.3 | 171.7 | 0 | 0 | 0 | 122.4 | ||||
| 525 | R | 26.2 | Very low | 28.3 | Very low | 195 Ų | 195 | 132.9 Ų | 132.9 | 74% | 0.736 | 74% | 0.741 | S | S | * | * | trans | 90.9 | 135.1 | 131 | -88.6 | 163.4 | -175.6 | -175.2 | 0.9 | 120.6 | ||||
| 526 | K | 29.3 | Very low | 28.1 | Very low | 171 Ų | 171 | 133.7 Ų | 133.7 | 74% | 0.743 | 74% | 0.741 | S | S | * | * | trans | 73.3 | 148 | 149.3 | -66 | 165.3 | -179.4 | 179.4 | 0 | 115.1 | ||||
| 527 | K | 27.2 | Very low | 28.2 | Very low | 145 Ų | 145 | 138.4 Ų | 138.4 | 63% | 0.63 | 75% | 0.75 | S | S | * | * | cis | -166.5 | 153 | -11.9 | -123.5 | 174.5 | 164.7 | -159.2 | 0 | 109.3 | ||||
| 528 | F | 27.4 | Very low | 28.1 | Very low | 163 Ų | 163 | 139.1 Ų | 139.1 | 72% | 0.715 | 75% | 0.75 | S | S | * | * | trans | 63.3 | 146 | 161.3 | -55 | -46.3 | 0 | 0 | 0 | 116.1 | ||||
| 529 | S | 25.2 | Very low | 27.9 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 75% | 0.752 | S | S | * | * | cis | 85 | 79.1 | 26.7 | -49.6 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 530 | S | 30.7 | Very low | 27.9 | Very low | 105 Ų | 105 | 137.5 Ų | 137.5 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -146.5 | 115.6 | 148 | 47.7 | 0 | 0 | 0 | 0 | 105.7 | ||||
| 531 | E | 26.3 | Very low | 27.9 | Very low | 176 Ų | 176 | 138.5 Ų | 138.5 | 82% | 0.822 | 74% | 0.739 | S | S | * | * | 97.4 | 122.7 | 64.8 | -84.2 | 177 | 142.6 | 0 | 0 | 112.7 | |||||
| 532 | S | 25.7 | Very low | 28.1 | Very low | 79 Ų | 79 | 142.1 Ų | 142.1 | 55% | 0.552 | 74% | 0.743 | S | S | * | * | trans | 32.5 | 114 | 152.8 | 59.9 | 0 | 0 | 0 | 0 | 121.5 | N534 | S532-N534 WeakPolarHBondContact CB-ND2 3.45Š| ||
| 533 | C | 28.7 | Very low | 28.1 | Very low | 132 Ų | 132 | 143.4 Ų | 143.4 | 89% | 0.892 | 74% | 0.735 | S | S | * | * | -128.4 | 107.9 | 109 | -78.5 | 0 | 0 | 0 | 0 | 105.9 | |||||
| 534 | N | 29.6 | Very low | 28.1 | Very low | 130 Ų | 130 | 144.3 Ų | 144.3 | 70% | 0.695 | 73% | 0.734 | S | S | * | * | 44.1 | 92.6 | 52.2 | -64.7 | -4.2 | 0 | 0 | 0 | 109.3 | S532 | S532-N534 WeakPolarHBondContact CB-ND2 3.45Š| |||
| 535 | L | 25.8 | Very low | 28.4 | Very low | 152 Ų | 152 | 145.4 Ų | 145.4 | 80% | 0.796 | 74% | 0.735 | S | S | * | * | cis | 64 | 63.4 | 37.7 | -147.5 | 174.2 | 0 | 0 | 0 | 111.6 | ||||
| 536 | N | 26 | Very low | 28.7 | Very low | 149 Ų | 149 | 144 Ų | 144 | 80% | 0.797 | 73% | 0.734 | S | S | * | * | trans | -174.1 | 158.7 | 146.8 | -102.2 | -45 | 0 | 0 | 0 | 112 | ||||
| 537 | K | 30.1 | Very low | 28.8 | Very low | 195 Ų | 195 | 141.4 Ų | 141.4 | 85% | 0.848 | 74% | 0.736 | S | S | * | * | trans | 73.5 | 115 | -178.6 | -55.6 | -177.2 | 179.5 | -178.4 | 0 | 114.7 | ||||
| 538 | V | 25.6 | Very low | 28.8 | Very low | 121 Ų | 121 | 142.3 Ų | 142.3 | 73% | 0.733 | 75% | 0.747 | S | S | * | * | cis | 91.4 | 145.6 | 27.6 | -174.8 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 539 | Q | 29.8 | Very low | 28.9 | Very low | 158 Ų | 158 | 139.8 Ų | 139.8 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 78.5 | 107.4 | -174.5 | -75.6 | 138.8 | -14.6 | 0 | 0 | 114.4 | ||||
| 540 | N | 27.1 | Very low | 29.2 | Very low | 125 Ų | 125 | 142.4 Ų | 142.4 | 67% | 0.668 | 75% | 0.754 | S | S | * | * | 81.7 | 134.8 | 84.8 | -67.8 | 14.5 | 0 | 0 | 0 | 110.2 | |||||
| 541 | Y | 31.6 | Very low | 29.2 | Very low | 193 Ų | 193 | 142 Ų | 142 | 76% | 0.757 | 75% | 0.749 | S | S | * | * | cis | -125.8 | 152.4 | 28.9 | -78.6 | -99.3 | 0 | 0 | 0 | 111.5 | ||||
| 542 | E | 30.1 | Very low | 29.4 | Very low | 153 Ų | 153 | 140.9 Ų | 140.9 | 72% | 0.715 | 75% | 0.749 | S | S | * | * | 63.2 | 133.3 | 78.8 | -118.1 | 171.7 | -130.2 | 0 | 0 | 112.4 | |||||
| 543 | T | 33.1 | Very low | 29.4 | Very low | 110 Ų | 110 | 141.6 Ų | 141.6 | 68% | 0.675 | 76% | 0.759 | S | S | * | * | cis | -150 | 122.7 | 23.8 | -53.7 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 544 | I | 28 | Very low | 29.4 | Very low | 133 Ų | 133 | 144.1 Ų | 144.1 | 68% | 0.682 | 76% | 0.755 | S | S | * | * | trans | 18.3 | 124.9 | 134 | -36.7 | 172.1 | 0 | 0 | 0 | 118.9 | ||||
| 545 | H | 34 | Very low | 29.1 | Very low | 155 Ų | 155 | 142.5 Ų | 142.5 | 72% | 0.718 | 75% | 0.754 | S | S | * | * | -175.1 | 152.8 | 117.9 | -109.7 | -113.5 | 0 | 0 | 0 | 116.9 | |||||
| 546 | K | 30.6 | Very low | 29.2 | Very low | 166 Ų | 166 | 144.6 Ų | 144.6 | 72% | 0.722 | 76% | 0.757 | S | S | * | * | trans | -44.6 | 161.3 | -178.5 | -44.8 | 166.6 | -174.2 | 176.9 | 0 | 116 | ||||
| 547 | C | 33.2 | Very low | 29.2 | Very low | 116 Ų | 116 | 142.6 Ų | 142.6 | 78% | 0.784 | 75% | 0.75 | S | S | * | * | cis | -134.5 | 155.3 | 9.8 | -54.3 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 548 | L | 26.5 | Very low | 29 | Very low | 164 Ų | 164 | 138.8 Ų | 138.8 | 86% | 0.859 | 74% | 0.743 | S | S | * | * | cis | 80.5 | 75.4 | 9.7 | -127.1 | -178.4 | 0 | 0 | 0 | 117.7 | ||||
| 549 | S | 30.4 | Very low | 29.2 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 74% | 0.744 | S | S | * | * | trans | -169.8 | 92.9 | 141.8 | 53.9 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 550 | L | 31.3 | Very low | 29.2 | Very low | 168 Ų | 168 | 135.2 Ų | 135.2 | 88% | 0.88 | 74% | 0.741 | S | S | * | * | trans | -77.2 | 154.2 | 135.4 | -146.7 | 78 | 0 | 0 | 0 | 106.4 | ||||
| 551 | P | 29.5 | Very low | 29.4 | Very low | 98 Ų | 98 | 135 Ų | 135 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | -160.2 | 170.9 | 107.6 | 41.4 | -23.1 | 0 | 0 | 0 | 118.1 | |||||
| 552 | N | 30.3 | Very low | 29.3 | Very low | 152 Ų | 152 | 134.5 Ų | 134.5 | 81% | 0.813 | 74% | 0.741 | S | S | * | * | trans | 69.7 | 132.2 | 145.1 | -67.2 | -20.1 | 0 | 0 | 0 | 122.1 | ||||
| 553 | A | 25.9 | Very low | 29.2 | Very low | 93 Ų | 93 | 132 Ų | 132 | 77% | 0.769 | 74% | 0.741 | S | S | * | * | trans | -93.3 | 148.8 | 159 | 0 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 554 | K | 28.9 | Very low | 29 | Very low | 185 Ų | 185 | 136.1 Ų | 136.1 | 80% | 0.804 | 75% | 0.75 | S | S | * | * | trans | -178.4 | 121.3 | 157.7 | -94.7 | 149.8 | -175.9 | -176.9 | 0 | 104.3 | ||||
| 555 | S | 23.4 | Very low | 29 | Very low | 97 Ų | 97 | 134.2 Ų | 134.2 | 68% | 0.678 | 75% | 0.748 | S | S | * | * | 62.9 | 141.9 | 52.7 | 85.3 | 0 | 0 | 0 | 0 | 113.7 | |||||
| 556 | F | 27.6 | Very low | 28.8 | Very low | 195 Ų | 195 | 133.9 Ų | 133.9 | 86% | 0.855 | 75% | 0.75 | S | S | * | * | trans | 83.7 | 145.4 | -172.1 | -71.5 | -105.1 | 0 | 0 | 0 | 117.8 | ||||
| 557 | V | 26.7 | Very low | 28.8 | Very low | 107 Ų | 107 | 133.1 Ų | 133.1 | 65% | 0.648 | 75% | 0.754 | S | S | * | * | cis | -170.2 | 147.6 | -35.8 | 105 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 558 | T | 26.5 | Very low | 28.7 | Very low | 115 Ų | 115 | 132.9 Ų | 132.9 | 71% | 0.706 | 74% | 0.744 | S | S | * | * | trans | 56.7 | 147.5 | 162.3 | 55.6 | 0 | 0 | 0 | 0 | 122.2 | I560 | T558-I560 HydrophobicContact CG2-CD1 4.02Å; T558-I560 HydrophobicContact CG2-CG1 4.47Å | ||
| 559 | G | 29.6 | Very low | 28.9 | Very low | 72 Ų | 72 | 130.7 Ų | 130.7 | 74% | 0.742 | 74% | 0.739 | S | S | * | * | trans | 161.6 | 38.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 560 | I | 29.1 | Very low | 28.9 | Very low | 133 Ų | 133 | 132.5 Ų | 132.5 | 68% | 0.682 | 73% | 0.734 | S | S | * | * | 45.2 | 89.3 | 100.5 | -52.2 | 172.8 | 0 | 0 | 0 | 113.4 | T558 | T558-I560 HydrophobicContact CG2-CD1 4.02Å; T558-I560 HydrophobicContact CG2-CG1 4.47Å | |||
| 561 | N | 31.1 | Very low | 28.7 | Very low | 121 Ų | 121 | 132 Ų | 132 | 65% | 0.647 | 73% | 0.73 | S | S | * | * | 178.5 | 143 | 119.4 | -98.5 | -67.6 | 0 | 0 | 0 | 112.3 | |||||
| 562 | K | 30.7 | Very low | 28.6 | Very low | 181 Ų | 181 | 132.5 Ų | 132.5 | 79% | 0.787 | 74% | 0.736 | S | S | * | * | trans | 37.9 | 142.3 | 138.3 | -60.1 | 167.4 | -174 | 174.4 | 0 | 121 | ||||
| 563 | S | 26.5 | Very low | 28.5 | Very low | 100 Ų | 100 | 131.7 Ų | 131.7 | 70% | 0.699 | 73% | 0.732 | S | S | * | * | cis | 171.4 | 146.2 | -20.3 | 45.1 | 0 | 0 | 0 | 0 | 108 | ||||
| 564 | K | 30.1 | Very low | 28.7 | Very low | 198 Ų | 198 | 131.4 Ų | 131.4 | 86% | 0.861 | 72% | 0.724 | S | S | * | * | trans | 106 | 112.9 | -179.8 | -66.5 | 177.8 | 175.8 | -175.6 | 0 | 111.6 | ||||
| 565 | S | 27.6 | Very low | 28.8 | Very low | 92 Ų | 92 | 132 Ų | 132 | 64% | 0.643 | 72% | 0.721 | S | S | * | * | cis | 96.3 | 139.9 | 29.7 | 75.8 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 566 | I | 30.1 | Very low | 29.1 | Very low | 148 Ų | 148 | 135.1 Ų | 135.1 | 76% | 0.759 | 73% | 0.725 | S | S | * | * | trans | 84.8 | 119.5 | 171.9 | -54.4 | 162.4 | 0 | 0 | 0 | 111 | ||||
| 567 | D | 30.2 | Very low | 29.3 | Very low | 150 Ų | 150 | 131.2 Ų | 131.2 | 80% | 0.802 | 72% | 0.716 | S | S | * | * | cis | -135.6 | 166 | 13.2 | -121.3 | -31.4 | 0 | 0 | 0 | 116.4 | ||||
| 568 | L | 30.7 | Very low | 29.6 | Very low | 112 Ų | 112 | 133 Ų | 133 | 59% | 0.586 | 72% | 0.722 | S | S | * | * | trans | -150.4 | 135.2 | 178.6 | -125.8 | 175.1 | 0 | 0 | 0 | 109.5 | F570 | L568-F570 HydrophobicContact CB-CD2 4.42Å; L568-F570 HydrophobicContact CB-CE2 4.23Å; L568-F570 HydrophobicContact CD1-CE2 4.44Å; L568-F570 HydrophobicContact CD1-CZ 4.38Å | ||
| 569 | P | 31.5 | Very low | 29.9 | Very low | 117 Ų | 117 | 132.2 Ų | 132.2 | 76% | 0.76 | 71% | 0.714 | S | S | * | * | -128.8 | 131.7 | 120.9 | 2.7 | 18.8 | 0 | 0 | 0 | 112.6 | |||||
| 570 | F | 29.8 | Very low | 30 | Very low | 149 Ų | 149 | 138.3 Ų | 138.3 | 65% | 0.654 | 71% | 0.714 | S | S | * | * | 63.1 | 112 | 68.7 | -64.7 | -63.7 | 0 | 0 | 0 | 111.6 | L568 | L568-F570 HydrophobicContact CB-CD2 4.42Å; L568-F570 HydrophobicContact CB-CE2 4.23Å; L568-F570 HydrophobicContact CD1-CE2 4.44Å; L568-F570 HydrophobicContact CD1-CZ 4.38Å | |||
| 571 | I | 26.5 | Very low | 30.1 | Very low | 156 Ų | 156 | 136.6 Ų | 136.6 | 80% | 0.8 | 71% | 0.714 | S | S | * | * | 60.6 | 90.7 | 54.7 | -49.7 | 177.4 | 0 | 0 | 0 | 113.2 | |||||
| 572 | S | 28.9 | Very low | 30 | Very low | 110 Ų | 110 | 136.4 Ų | 136.4 | 77% | 0.769 | 72% | 0.721 | S | S | * | * | trans | -151 | 123 | 145.3 | -169.1 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 573 | N | 27 | Very low | 29.9 | Very low | 135 Ų | 135 | 132.8 Ų | 132.8 | 72% | 0.722 | 72% | 0.718 | S | S | * | * | cis | 80.1 | 144.8 | 35.8 | -159 | 7.5 | 0 | 0 | 0 | 113.5 | ||||
| 574 | C | 29.3 | Very low | 30.1 | Very low | 87 Ų | 87 | 136.3 Ų | 136.3 | 59% | 0.588 | 73% | 0.726 | S | S | * | * | trans | 76.7 | 146 | -176.9 | -57.8 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 575 | R | 31.1 | Very low | 30 | Very low | 197 Ų | 197 | 134.6 Ų | 134.6 | 74% | 0.743 | 72% | 0.72 | S | S | * | * | cis | -168 | 133.2 | -13.7 | -111.2 | 173.2 | -161.2 | -167.6 | 5.6 | 111.4 | ||||
| 576 | Q | 29.7 | Very low | 30.1 | Very low | 163 Ų | 163 | 136.2 Ų | 136.2 | 76% | 0.762 | 73% | 0.726 | S | S | * | * | trans | 62.2 | 172 | 145.8 | -57.3 | 163.7 | -43.3 | 0 | 0 | 115.6 | ||||
| 577 | V | 32.9 | Very low | 29.9 | Very low | 113 Ų | 113 | 135.3 Ų | 135.3 | 69% | 0.685 | 72% | 0.723 | S | S | * | * | cis | -147.4 | 126.6 | 18.7 | 176.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 578 | N | 32.6 | Very low | 29.8 | Very low | 143 Ų | 143 | 134.7 Ų | 134.7 | 77% | 0.765 | 72% | 0.718 | S | S | * | * | trans | 54.7 | 165.6 | 154.1 | -54.2 | -4.9 | 0 | 0 | 0 | 119.9 | ||||
| 579 | D | 32.7 | Very low | 29.7 | Very low | 99 Ų | 99 | 134.9 Ų | 134.9 | 53% | 0.529 | 72% | 0.724 | S | S | . | * | cis | -149.4 | 151.6 | 3.8 | -143.7 | -0.5 | 0 | 0 | 0 | 112.6 | ||||
| 580 | R | 32.4 | Very low | 29.5 | Very low | 201 Ų | 201 | 135.9 Ų | 135.9 | 76% | 0.758 | 72% | 0.723 | S | S | * | * | trans | 35.8 | 160.5 | 143.8 | -76.6 | 165.2 | -170.8 | 162.2 | -8.5 | 123 | ||||
| 581 | S | 30.5 | Very low | 29.4 | Very low | 96 Ų | 96 | 134.7 Ų | 134.7 | 67% | 0.671 | 72% | 0.723 | S | S | * | * | cis | 177.9 | 160.3 | -20.8 | 55.2 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 582 | C | 29.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 132.5 Ų | 132.5 | 80% | 0.797 | 71% | 0.713 | S | S | * | * | cis | -174.5 | 145.3 | -23.6 | -94.9 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 583 | S | 28.7 | Very low | 29.6 | Very low | 104 Ų | 104 | 133.5 Ų | 133.5 | 73% | 0.727 | 71% | 0.71 | S | S | * | * | trans | 55.1 | 139.4 | 143 | -158.3 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 584 | M | 29.8 | Very low | 29.6 | Very low | 175 Ų | 175 | 133.7 Ų | 133.7 | 86% | 0.862 | 71% | 0.711 | S | S | * | * | 161.8 | 104.8 | 107.9 | -164.3 | 167.6 | -166.5 | 0 | 0 | 110.4 | |||||
| 585 | H | 27.9 | Very low | 29.6 | Very low | 161 Ų | 161 | 136 Ų | 136 | 75% | 0.745 | 72% | 0.716 | S | S | * | * | 90.1 | 152.2 | 70.6 | -119.4 | -78 | 0 | 0 | 0 | 115.7 | |||||
| 586 | V | 29.9 | Very low | 29.6 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | 78 | 145.7 | 172 | -169.7 | 0 | 0 | 0 | 0 | 115.5 | ||||
| 587 | N | 26.1 | Very low | 29.5 | Very low | 129 Ų | 129 | 135.6 Ų | 135.6 | 69% | 0.69 | 72% | 0.718 | S | S | * | * | cis | 168.8 | 154.2 | -40.1 | -127.2 | -10.5 | 0 | 0 | 0 | 106.5 | ||||
| 588 | I | 27.5 | Very low | 29.3 | Very low | 136 Ų | 136 | 139.4 Ų | 139.4 | 70% | 0.697 | 73% | 0.725 | S | S | * | * | trans | 76.9 | 101.3 | 145.5 | -70.6 | 168.5 | 0 | 0 | 0 | 120.2 | ||||
| 589 | V | 28 | Very low | 29.3 | Very low | 117 Ų | 117 | 138.4 Ų | 138.4 | 71% | 0.709 | 72% | 0.724 | S | S | * | * | 88.5 | 134.9 | 122.4 | 170.6 | 0 | 0 | 0 | 0 | 122.9 | |||||
| 590 | N | 28.8 | Very low | 29.3 | Very low | 138 Ų | 138 | 141.1 Ų | 141.1 | 74% | 0.738 | 74% | 0.737 | S | S | * | * | trans | 72.4 | 101.9 | 155.4 | -81.3 | -16.2 | 0 | 0 | 0 | 123.5 | ||||
| 591 | N | 27.7 | Very low | 29.3 | Very low | 124 Ų | 124 | 137 Ų | 137 | 66% | 0.663 | 74% | 0.739 | S | S | * | * | 74 | 153.5 | 98.2 | -153.9 | 16 | 0 | 0 | 0 | 120.6 | |||||
| 592 | N | 31 | Very low | 29.2 | Very low | 110 Ų | 110 | 135.5 Ų | 135.5 | 59% | 0.588 | 74% | 0.739 | S | S | * | * | trans | 68.6 | 95.6 | 166 | -66.5 | -38.5 | 0 | 0 | 0 | 119.5 | ||||
| 593 | N | 27.3 | Very low | 29.4 | Very low | 131 Ų | 131 | 142.1 Ų | 142.1 | 70% | 0.701 | 75% | 0.747 | S | S | * | * | 62.9 | 127.6 | 113.9 | -61.9 | -27.9 | 0 | 0 | 0 | 121.5 | |||||
| 594 | N | 27.9 | Very low | 29.4 | Very low | 138 Ų | 138 | 147.2 Ų | 147.2 | 74% | 0.738 | 76% | 0.756 | S | S | * | * | 90.9 | 127.8 | 126.3 | -82.5 | -12.3 | 0 | 0 | 0 | 122.2 | |||||
| 595 | I | 28.8 | Very low | 29.4 | Very low | 135 Ų | 135 | 143.9 Ų | 143.9 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | trans | 67.1 | 102.9 | 148.8 | -47.5 | 150.6 | 0 | 0 | 0 | 117.3 | ||||
| 596 | L | 31.6 | Very low | 29.4 | Very low | 146 Ų | 146 | 144.5 Ų | 144.5 | 76% | 0.764 | 76% | 0.757 | S | S | * | * | 178.6 | 107.2 | 112.6 | -107.2 | 113.5 | 0 | 0 | 0 | 107.3 | |||||
| 597 | R | 28.1 | Very low | 29.4 | Very low | 206 Ų | 206 | 145 Ų | 145 | 78% | 0.777 | 76% | 0.761 | S | S | * | * | 78.1 | 117.3 | 89.8 | -83.6 | -173.7 | 173.9 | -179.8 | 0.4 | 115 | |||||
| 598 | K | 27.7 | Very low | 29.6 | Very low | 194 Ų | 194 | 145.5 Ų | 145.5 | 84% | 0.843 | 77% | 0.769 | S | S | * | * | trans | 48.1 | 123.8 | 144 | -60.6 | -175.6 | 168.8 | -169.9 | 0 | 118.7 | ||||
| 599 | V | 32.6 | Very low | 29.7 | Very low | 121 Ų | 121 | 149 Ų | 149 | 73% | 0.733 | 78% | 0.779 | S | S | * | * | -180 | 121.1 | 97.3 | 151.6 | 0 | 0 | 0 | 0 | 109.9 | |||||
| 600 | I | 34.2 | Very low | 29.8 | Very low | 157 Ų | 157 | 153.9 Ų | 153.9 | 81% | 0.805 | 79% | 0.786 | S | S | * | * | trans | 38.5 | 136.6 | 134 | -53.8 | 175 | 0 | 0 | 0 | 118.8 | ||||
| 601 | S | 31.1 | Very low | 30.1 | Very low | 114 Ų | 114 | 154 Ų | 154 | 80% | 0.797 | 79% | 0.787 | S | S | * | * | cis | -175.1 | 156.9 | -13.6 | -178.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 602 | G | 28.8 | Very low | 30.6 | Very low | 65 Ų | 65 | 155.2 Ų | 155.2 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | 80.6 | 74.7 | 132.3 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 603 | R | 33.5 | Very low | 30.9 | Very low | 256 Ų | 256 | 156.5 Ų | 156.5 | 97% | 0.966 | 80% | 0.8 | S | S | * | * | -166.6 | 120.9 | 123.9 | -105.8 | 167.7 | -177.4 | -175 | -0.3 | 110.3 | |||||
| 604 | K | 29.5 | Very low | 31.2 | Very low | 211 Ų | 211 | 156.7 Ų | 156.7 | 92% | 0.917 | 80% | 0.796 | S | S | * | * | trans | -133.6 | 116.6 | 175.5 | -84.8 | -174.1 | 175.6 | -179.1 | 0 | 109 | ||||
| 605 | S | 29.9 | Very low | 31.6 | Very low | 105 Ų | 105 | 156 Ų | 156 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -165.6 | 153.7 | 159.2 | 42.8 | 0 | 0 | 0 | 0 | 111.6 | T607 | S605-T607 PolarHBondContact O-N 3.47Š| ||
| 606 | L | 28.5 | Very low | 31.8 | Very low | 174 Ų | 174 | 157.9 Ų | 157.9 | 91% | 0.911 | 80% | 0.796 | S | S | * | * | S | Bend | trans | 71.8 | 12.1 | 158.1 | -107.3 | 72.6 | 0 | 0 | 0 | 123.4 | ||
| 607 | T | 29.5 | Very low | 31.9 | Very low | 137 Ų | 137 | 158.8 Ų | 158.8 | 84% | 0.84 | 79% | 0.79 | S | S | * | * | trans | -122.5 | 39.7 | 176.4 | 51 | 0 | 0 | 0 | 0 | 117.1 | S605 | S605-T607 PolarHBondContact O-N 3.47Š| ||
| 608 | T | 29.2 | Very low | 32.2 | Very low | 141 Ų | 141 | 154.5 Ų | 154.5 | 87% | 0.865 | 78% | 0.775 | S | S | * | * | trans | -147.3 | 102.3 | 165.6 | 50.6 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 609 | K | 30.6 | Very low | 32.6 | Very low | 210 Ų | 210 | 152.1 Ų | 152.1 | 91% | 0.913 | 77% | 0.771 | S | S | * | * | S | Bend | trans | -146.7 | -5.1 | 166.6 | -126.9 | -178.7 | -177.8 | -174.9 | 0 | 116.9 | ||
| 610 | Y | 30.3 | Very low | 32.8 | Very low | 218 Ų | 218 | 155 Ų | 155 | 86% | 0.855 | 77% | 0.773 | S | S | * | * | S | Bend | trans | -106.9 | -8.4 | -164.8 | -98.3 | -79.5 | 0 | 0 | 0 | 118.6 | ||
| 611 | N | 34.5 | Very low | 33.1 | Very low | 142 Ų | 142 | 154.4 Ų | 154.4 | 76% | 0.759 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -99.3 | 10.3 | -168.1 | -79.3 | -15.6 | 0 | 0 | 0 | 117.2 | ||
| 612 | N | 38.3 | Very low | 33.4 | Very low | 149 Ų | 149 | 154.4 Ų | 154.4 | 80% | 0.797 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -102 | -14.1 | -174.4 | -80.2 | -10.5 | 0 | 0 | 0 | 116.4 | ||
| 613 | L | 36.6 | Very low | 33.6 | Very low | 137 Ų | 137 | 153.5 Ų | 153.5 | 72% | 0.717 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -77.8 | -35.1 | 175 | -101.9 | 72.5 | 0 | 0 | 0 | 113 | N615 F616 | L613-N615 VanDerWaalsContact C-N 3.27Å; L613-N615 PolarHBondContact O-N 3.34Å; L613-F616 WeakPolarHBondContact O-CB 3.47Å; L613-F616 PolarHBondContact O-N 3.35Å |
| 614 | H | 34.8 | Very low | 34 | Very low | 135 Ų | 135 | 147.9 Ų | 147.9 | 63% | 0.625 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -65 | -27.1 | -167.1 | -150.1 | -54.9 | 0 | 0 | 0 | 114.1 | Y618 | H614-Y618 AromaticContact CE1-CE2 3.72Å; H614-Y618 AromaticContact ND1-CD2 3.84Å; H614-Y618 AromaticContact ND1-CE2 4Å |
| 615 | N | 35.3 | Very low | 34.8 | Very low | 123 Ų | 123 | 142.3 Ų | 142.3 | 66% | 0.658 | 72% | 0.718 | S | S | * | * | H | α-helix | trans | -80.4 | -16.3 | 175.1 | -84 | -48.9 | 0 | 0 | 0 | 113.8 | L613 | L613-N615 VanDerWaalsContact C-N 3.27Å; L613-N615 PolarHBondContact O-N 3.34Å |
| 616 | F | 33.6 | Very low | 35.9 | Very low | 175 Ų | 175 | 145.2 Ų | 145.2 | 77% | 0.768 | 71% | 0.713 | S | S | * | * | H | α-helix | trans | -79.7 | -36.9 | 178.9 | -147.1 | -94.2 | 0 | 0 | 0 | 111.6 | L613 | L613-F616 WeakPolarHBondContact O-CB 3.47Å; L613-F616 PolarHBondContact O-N 3.35Å |
| 617 | Y | 32.6 | Very low | 36.5 | Very low | 165 Ų | 165 | 142.2 Ų | 142.2 | 65% | 0.647 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -70.9 | -39.2 | 175.6 | -91.3 | -89.9 | 0 | 0 | 0 | 113.2 | L619 K620 | Y617-L619 PolarHBondContact O-N 2.92Å; Y617-K620 WeakPolarHBondContact O-CB 3.44Å; Y617-K620 PolarHBondContact O-N 3.23Å |
| 618 | Y | 35.8 | Very low | 37.4 | Very low | 115 Ų | 115 | 141.1 Ų | 141.1 | 45% | 0.451 | 68% | 0.684 | S | S | . | * | H | α-helix | trans | -65.4 | -20.9 | -177.2 | -102.1 | -99.1 | 0 | 0 | 0 | 114.8 | L261 H614 K620 | L261-Y618 WeakPolarHBondContact CD1-OH 3.45Å; H614-Y618 AromaticContact CE1-CE2 3.72Å; H614-Y618 AromaticContact ND1-CD2 3.84Å; H614-Y618 AromaticContact ND1-CE2 4Å; Y618-K620 VanDerWaalsContact C-N 3.31Å; Y618-K620 PolarHBondContact O-N 2.87Å |
| 619 | L | 34.5 | Very low | 39 | Very low | 144 Ų | 144 | 142.4 Ų | 142.4 | 75% | 0.754 | 67% | 0.673 | S | S | * | * | G | 310 helix | trans | -75 | -16.2 | 173.6 | -84 | 163.8 | 0 | 0 | 0 | 113.9 | Y617 R621 | Y617-L619 PolarHBondContact O-N 2.92Å; L619-R621 VanDerWaalsContact C-N 3.29Å; L619-R621 PolarHBondContact O-N 3.24Å |
| 620 | K | 38.5 | Very low | 40.2 | Very low | 182 Ų | 182 | 138 Ų | 138 | 79% | 0.791 | 66% | 0.656 | S | S | * | * | G | 310 helix | trans | -77.3 | -9.8 | -176.6 | -157.8 | 176 | -180 | -175.1 | 0 | 113.8 | Y617 Y618 | Y617-K620 WeakPolarHBondContact O-CB 3.44Å; Y617-K620 PolarHBondContact O-N 3.23Å; Y618-K620 VanDerWaalsContact C-N 3.31Å; Y618-K620 PolarHBondContact O-N 2.87Å |
| 621 | R | 38.8 | Very low | 41.3 | Very low | 145 Ų | 145 | 132.1 Ų | 132.1 | 55% | 0.547 | 64% | 0.638 | S | S | . | * | G | 310 helix | trans | -121.8 | 5.6 | -165.3 | -142.3 | 168 | 176.9 | -152.7 | -1.9 | 115.8 | N259 L619 | N259-R621 PolarHBondContact O-NH1 3.17Å; N259-R621 PolarHBondContact O-NH2 3.27Å; N259-R621 VanDerWaalsContact O-NH2 3.08Å; N259-R621 PolarHBondContact OD1-NE 3.11Å; N259-R621 PolarHBondContact OD1-NH1 3.04Å; N259-R621 PolarHBondContact OD1-NH2 3.24Å; L619-R621 VanDerWaalsContact C-N 3.29Å; L619-R621 PolarHBondContact O-N 3.24Å |
| 622 | I | 39.2 | Very low | 42.7 | Very low | 114 Ų | 114 | 130.3 Ų | 130.3 | 59% | 0.585 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -113.9 | 90.1 | -175.1 | -53.9 | -179.8 | 0 | 0 | 0 | 112.7 | ||
| 623 | G | 33.1 | Very low | 44 | Very low | 46 Ų | 46 | 127.2 Ų | 127.2 | 47% | 0.474 | 61% | 0.609 | S | S | . | * | trans | 61.7 | 108.4 | 148.6 | 0 | 0 | 0 | 0 | 0 | 119.2 | S625 R626 | G623-S625 PolarHBondContact O-N 2.82Å; G623-R626 PolarHBondContact O-N 2.83Å | ||
| 624 | N | 40.6 | Very low | 44.8 | Very low | 138 Ų | 138 | 127.4 Ų | 127.4 | 74% | 0.738 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -47.1 | -29.3 | 175.5 | -87.2 | -27.5 | 0 | 0 | 0 | 115.5 | R626 L627 M628 | N624-R626 PolarHBondContact O-N 2.89Å; N624-L627 PolarHBondContact O-N 2.99Å; N624-M628 WeakPolarHBondContact O-CB 3.47Å; N624-M628 PolarHBondContact O-N 2.81Å |
| 625 | S | 46.7 | Very low | 46.1 | Very low | 94 Ų | 94 | 128.4 Ų | 128.4 | 66% | 0.657 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.8 | -30.5 | -179.6 | 61.3 | 0 | 0 | 0 | 0 | 114.3 | G623 R629 | G623-S625 PolarHBondContact O-N 2.82Å; S625-R629 PolarHBondContact O-N 2.82Å |
| 626 | R | 52.1 | Low | 47.6 | Very low | 166 Ų | 166 | 126.4 Ų | 126.4 | 63% | 0.626 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -79.5 | -40.8 | 174.5 | -109 | -177.7 | 176.9 | 173.8 | -0 | 111.5 | G623 N624 R629 H630 | G623-R626 PolarHBondContact O-N 2.83Å; N624-R626 PolarHBondContact O-N 2.89Å; R626-R629 PolarHBondContact O-N 3.29Å; R626-H630 PolarHBondContact O-CD2 3.28Å; R626-H630 PolarHBondContact O-N 3.38Å; R626-H630 VanDerWaalsContact O-N 3.08Å |
| 627 | L | 41.5 | Very low | 48.8 | Very low | 110 Ų | 110 | 124 Ų | 124 | 58% | 0.576 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.8 | -46.9 | 175.9 | -160.8 | 89.1 | 0 | 0 | 0 | 111.1 | N624 R629 H630 L631 | N624-L627 PolarHBondContact O-N 2.99Å; L627-R629 VanDerWaalsContact C-N 3.31Å; L627-R629 PolarHBondContact O-N 3.45Å; L627-H630 PolarHBondContact O-N 2.94Å; L627-L631 HydrophobicContact CD2-CD1 4.14Å; L627-L631 HydrophobicContact CG-CD1 4.26Å; L627-L631 WeakPolarHBondContact O-CB 3.31Å; L627-L631 PolarHBondContact O-N 3.07Å |
| 628 | M | 49 | Very low | 49.6 | Very low | 115 Ų | 115 | 120.8 Ų | 120.8 | 57% | 0.567 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -61.5 | -35 | 176 | -87.7 | -70.5 | -92.4 | 0 | 0 | 113.1 | N624 L631 L632 | N624-M628 WeakPolarHBondContact O-CB 3.47Å; N624-M628 PolarHBondContact O-N 2.81Å; M628-L631 PolarHBondContact O-N 3.23Å; M628-L632 WeakPolarHBondContact O-CD1 3.37Å; M628-L632 PolarHBondContact O-N 3.42Å |
| 629 | R | 63.8 | Low | 50.4 | Low | 167 Ų | 167 | 118.9 Ų | 118.9 | 63% | 0.63 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -65.9 | -45.5 | 175 | -168.6 | 179.6 | -60.6 | -179.2 | 1.4 | 111.8 | S625 R626 L627 L632 E633 | S625-R629 PolarHBondContact O-N 2.82Å; R626-R629 PolarHBondContact O-N 3.29Å; L627-R629 VanDerWaalsContact C-N 3.31Å; L627-R629 PolarHBondContact O-N 3.45Å; R629-L632 PolarHBondContact O-N 3.48Å; R629-E633 PolarHBondContact O-N 2.83Å |
| 630 | H | 54.6 | Low | 51.2 | Low | 118 Ų | 118 | 116.7 Ų | 116.7 | 55% | 0.546 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -67.6 | -35.5 | 175.9 | -74.3 | -61.1 | 0 | 0 | 0 | 112.5 | R626 L627 E633 F634 | R626-H630 PolarHBondContact O-CD2 3.28Å; R626-H630 PolarHBondContact O-N 3.38Å; R626-H630 VanDerWaalsContact O-N 3.08Å; L627-H630 PolarHBondContact O-N 2.94Å; H630-E633 PolarHBondContact O-N 3.18Å; H630-F634 VanDerWaalsContact O-CB 3.26Å; H630-F634 WeakPolarHBondContact O-CB 3.35Å; H630-F634 PolarHBondContact O-N 3.4Å |
| 631 | L | 52.8 | Low | 51.8 | Low | 94 Ų | 94 | 111.5 Ų | 111.5 | 49% | 0.492 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63 | -42 | 171 | -92.3 | 158.8 | 0 | 0 | 0 | 112.3 | L627 M628 F634 K635 | L627-L631 HydrophobicContact CD2-CD1 4.14Å; L627-L631 HydrophobicContact CG-CD1 4.26Å; L627-L631 WeakPolarHBondContact O-CB 3.31Å; L627-L631 PolarHBondContact O-N 3.07Å; M628-L631 PolarHBondContact O-N 3.23Å; L631-F634 PolarHBondContact O-N 3.24Å; L631-K635 WeakPolarHBondContact O-CB 3.3Å; L631-K635 PolarHBondContact O-N 2.9Å |
| 632 | L | 65.4 | Low | 52.1 | Low | 104 Ų | 104 | 111.2 Ų | 111.2 | 55% | 0.545 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.4 | -48.9 | 172.6 | -103.4 | 87.1 | 0 | 0 | 0 | 111.5 | M628 R629 F634 K635 V636 | M628-L632 WeakPolarHBondContact O-CD1 3.37Å; M628-L632 PolarHBondContact O-N 3.42Å; R629-L632 PolarHBondContact O-N 3.48Å; L632-F634 VanDerWaalsContact C-N 3.33Å; L632-F634 PolarHBondContact O-N 2.92Å; L632-K635 PolarHBondContact O-N 3.3Å; L632-V636 WeakPolarHBondContact O-CB 3.5Å; L632-V636 VanDerWaalsContact O-CG2 3.31Å; L632-V636 WeakPolarHBondContact O-CG2 3.26Å; L632-V636 PolarHBondContact O-N 3.49Å |
| 633 | E | 65 | Low | 52.7 | Low | 84 Ų | 84 | 110.9 Ų | 110.9 | 39% | 0.393 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -59.3 | -42.9 | 177.2 | -83.6 | -165 | -152 | 0 | 0 | 112.5 | R629 H630 V636 K637 | R629-E633 PolarHBondContact O-N 2.83Å; H630-E633 PolarHBondContact O-N 3.18Å; E633-V636 PolarHBondContact O-N 3.03Å; E633-K637 WeakPolarHBondContact O-CB 3.49Å; E633-K637 VanDerWaalsContact O-CG 3.3Å; E633-K637 WeakPolarHBondContact O-CG 3.35Å; E633-K637 PolarHBondContact O-N 2.93Å; E633-K637 IonicContact OE2-NZ 2.66Å; E633-K637 PolarHBondContact OE2-NZ 2.73Å |
| 634 | F | 52.4 | Low | 53.3 | Low | 141 Ų | 141 | 118 Ų | 118 | 62% | 0.618 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -65.2 | -43.9 | 178.2 | -162.4 | -94.8 | 0 | 0 | 0 | 110.5 | H630 L631 L632 V636 K637 H638 | H630-F634 VanDerWaalsContact O-CB 3.26Å; H630-F634 WeakPolarHBondContact O-CB 3.35Å; H630-F634 PolarHBondContact O-N 3.4Å; L631-F634 PolarHBondContact O-N 3.24Å; L632-F634 VanDerWaalsContact C-N 3.33Å; L632-F634 PolarHBondContact O-N 2.92Å; F634-V636 PolarHBondContact O-N 3.09Å; F634-K637 PolarHBondContact O-N 3.47Å; F634-H638 VanDerWaalsContact O-CB 3.23Å; F634-H638 WeakPolarHBondContact O-CB 3.23Å; F634-H638 PolarHBondContact O-N 2.65Å |
| 635 | K | 62 | Low | 53.6 | Low | 156 Ų | 156 | 116.5 Ų | 116.5 | 68% | 0.678 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -61.2 | -40.8 | 175.3 | -164.5 | 171.8 | -174.2 | 177.5 | 0 | 111.8 | L631 L632 H638 T639 | L631-K635 WeakPolarHBondContact O-CB 3.3Å; L631-K635 PolarHBondContact O-N 2.9Å; L632-K635 PolarHBondContact O-N 3.3Å; K635-H638 PolarHBondContact O-N 3.35Å; K635-T639 WeakPolarHBondContact O-CG2 3.42Å; K635-T639 PolarHBondContact O-N 2.62Å; K635-T639 PolarHBondContact O-OG1 3.09Å |
| 636 | V | 67.6 | Low | 53.9 | Low | 81 Ų | 81 | 120.2 Ų | 120.2 | 49% | 0.491 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -70.6 | -37.7 | 175.7 | 170.4 | 0 | 0 | 0 | 0 | 112.4 | L632 E633 F634 H638 T639 N640 | L632-V636 WeakPolarHBondContact O-CB 3.5Å; L632-V636 VanDerWaalsContact O-CG2 3.31Å; L632-V636 WeakPolarHBondContact O-CG2 3.26Å; L632-V636 PolarHBondContact O-N 3.49Å; E633-V636 PolarHBondContact O-N 3.03Å; F634-V636 PolarHBondContact O-N 3.09Å; V636-H638 VanDerWaalsContact C-N 3.34Å; V636-T639 PolarHBondContact O-OG1 3.4Å; V636-T639 VanDerWaalsContact O-OG1 3.07Å; V636-N640 WeakPolarHBondContact O-CB 3.48Å; V636-N640 PolarHBondContact O-N 3.04Å; V636-N640 PolarHBondContact O-ND2 3.36Å |
| 637 | K | 58.2 | Low | 54 | Low | 125 Ų | 125 | 119.7 Ų | 119.7 | 54% | 0.543 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -65.5 | -39.9 | 172 | -75.1 | 161.5 | 178.8 | 159.3 | 0 | 110.5 | E633 F634 N640 T641 | E633-K637 WeakPolarHBondContact O-CB 3.49Å; E633-K637 VanDerWaalsContact O-CG 3.3Å; E633-K637 WeakPolarHBondContact O-CG 3.35Å; E633-K637 PolarHBondContact O-N 2.93Å; E633-K637 IonicContact OE2-NZ 2.66Å; E633-K637 PolarHBondContact OE2-NZ 2.73Å; F634-K637 PolarHBondContact O-N 3.47Å; K637-N640 PolarHBondContact O-N 3.34Å; K637-T641 PolarHBondContact O-N 2.88Å; K637-T641 VanDerWaalsContact O-N 3.07Å; K637-T641 PolarHBondContact O-OG1 3.04Å |
| 638 | H | 49.6 | Very low | 54.2 | Low | 97 Ų | 97 | 119 Ų | 119 | 45% | 0.449 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -76.7 | -29.1 | -177 | -153.9 | -30.7 | 0 | 0 | 0 | 114.3 | F634 K635 V636 T641 K642 | F634-H638 VanDerWaalsContact O-CB 3.23Å; F634-H638 WeakPolarHBondContact O-CB 3.23Å; F634-H638 PolarHBondContact O-N 2.65Å; K635-H638 PolarHBondContact O-N 3.35Å; V636-H638 VanDerWaalsContact C-N 3.34Å; H638-T641 WeakPolarHBondContact CA-OG1 3.22Å; H638-T641 PolarHBondContact O-OG1 3.36Å; H638-T641 VanDerWaalsContact O-OG1 3.12Å; H638-K642 PolarHBondContact O-N 2.89Å |
| 639 | T | 54 | Low | 53.8 | Low | 76 Ų | 76 | 120 Ų | 120 | 47% | 0.466 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -69.2 | -42.5 | 168.6 | 50.8 | 0 | 0 | 0 | 0 | 111.1 | K635 V636 T641 K642 L643 | K635-T639 WeakPolarHBondContact O-CG2 3.42Å; K635-T639 PolarHBondContact O-N 2.62Å; K635-T639 PolarHBondContact O-OG1 3.09Å; V636-T639 PolarHBondContact O-OG1 3.4Å; V636-T639 VanDerWaalsContact O-OG1 3.07Å; T639-T641 PolarHBondContact O-N 2.96Å; T639-K642 PolarHBondContact O-N 2.73Å; T639-L643 WeakPolarHBondContact O-CB 3.39Å; T639-L643 PolarHBondContact O-N 3.31Å |
| 640 | N | 50.3 | Low | 53 | Low | 97 Ų | 97 | 120 Ų | 120 | 52% | 0.519 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -63.1 | -39.9 | 178 | -83.1 | -62.4 | 0 | 0 | 0 | 113.1 | V636 K637 L643 R644 | V636-N640 WeakPolarHBondContact O-CB 3.48Å; V636-N640 PolarHBondContact O-N 3.04Å; V636-N640 PolarHBondContact O-ND2 3.36Å; K637-N640 PolarHBondContact O-N 3.34Å; N640-L643 PolarHBondContact O-N 3.12Å; N640-R644 PolarHBondContact O-N 3.21Å |
| 641 | T | 51 | Low | 52.5 | Low | 73 Ų | 73 | 117.7 Ų | 117.7 | 45% | 0.448 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.1 | -41.9 | 173.6 | 52.6 | 0 | 0 | 0 | 0 | 112.4 | K637 H638 T639 L643 R644 N645 | K637-T641 PolarHBondContact O-N 2.88Å; K637-T641 VanDerWaalsContact O-N 3.07Å; K637-T641 PolarHBondContact O-OG1 3.04Å; H638-T641 WeakPolarHBondContact CA-OG1 3.22Å; H638-T641 PolarHBondContact O-OG1 3.36Å; H638-T641 VanDerWaalsContact O-OG1 3.12Å; T639-T641 PolarHBondContact O-N 2.96Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 3.44Å; T641-R644 PolarHBondContact O-N 3.06Å; T641-N645 WeakPolarHBondContact O-CB 3.45Å; T641-N645 PolarHBondContact O-N 3.09Å |
| 642 | K | 46.4 | Very low | 52.2 | Low | 140 Ų | 140 | 122.8 Ų | 122.8 | 61% | 0.609 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -58.8 | -39.6 | 172 | -83.7 | -169.1 | 172 | -174 | 0 | 112.1 | H638 T639 K646 | H638-K642 PolarHBondContact O-N 2.89Å; T639-K642 PolarHBondContact O-N 2.73Å; K642-K646 WeakPolarHBondContact O-CB 3.49Å; K642-K646 PolarHBondContact O-N 2.73Å |
| 643 | L | 51.5 | Low | 51 | Low | 107 Ų | 107 | 123.5 Ų | 123.5 | 56% | 0.56 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -67.2 | -40.1 | 177.4 | -117.8 | 157.9 | 0 | 0 | 0 | 112.9 | T639 N640 T641 K647 | T639-L643 WeakPolarHBondContact O-CB 3.39Å; T639-L643 PolarHBondContact O-N 3.31Å; N640-L643 PolarHBondContact O-N 3.12Å; T641-L643 VanDerWaalsContact C-N 3.3Å; T641-L643 PolarHBondContact O-N 3.44Å; L643-K647 PolarHBondContact O-N 3.46Å |
| 644 | R | 45.1 | Very low | 50 | Low | 195 Ų | 195 | 128 Ų | 128 | 74% | 0.736 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -65.3 | -46.1 | 174.2 | -123.9 | 178.1 | -176.6 | -178.9 | 1.5 | 111.5 | N640 T641 K646 K647 N648 | N640-R644 PolarHBondContact O-N 3.21Å; T641-R644 PolarHBondContact O-N 3.06Å; R644-K646 PolarHBondContact O-N 2.86Å; R644-K647 PolarHBondContact O-N 2.99Å; R644-N648 PolarHBondContact O-N 3.23Å |
| 645 | N | 47 | Very low | 49.6 | Very low | 107 Ų | 107 | 132.2 Ų | 132.2 | 57% | 0.572 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.4 | -40.6 | 179.5 | -72 | 2.3 | 0 | 0 | 0 | 111.8 | T641 K647 N648 F649 | T641-N645 WeakPolarHBondContact O-CB 3.45Å; T641-N645 PolarHBondContact O-N 3.09Å; N645-K647 VanDerWaalsContact C-N 3.31Å; N645-K647 PolarHBondContact O-N 2.89Å; N645-N648 PolarHBondContact O-N 3.16Å; N645-N648 VanDerWaalsContact O-N 3.14Å; N645-F649 PolarHBondContact O-N 3.44Å |
| 646 | K | 52.3 | Low | 48.5 | Very low | 171 Ų | 171 | 130.3 Ų | 130.3 | 74% | 0.743 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -64.1 | -31.9 | 176.7 | -161.9 | 167.6 | -172.8 | 172.9 | 0 | 112.9 | K642 R644 K650 | K642-K646 WeakPolarHBondContact O-CB 3.49Å; K642-K646 PolarHBondContact O-N 2.73Å; R644-K646 PolarHBondContact O-N 2.86Å; K646-K650 WeakPolarHBondContact O-CB 3.49Å; K646-K650 PolarHBondContact O-N 3.35Å |
| 647 | K | 54.4 | Low | 46.8 | Very low | 155 Ų | 155 | 131.4 Ų | 131.4 | 67% | 0.674 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -69.2 | -45.7 | 169.4 | -81.2 | -175.2 | 173.1 | -179.4 | 0 | 112.1 | L643 R644 N645 F649 K650 S651 | L643-K647 PolarHBondContact O-N 3.46Å; R644-K647 PolarHBondContact O-N 2.99Å; N645-K647 VanDerWaalsContact C-N 3.31Å; N645-K647 PolarHBondContact O-N 2.89Å; K647-F649 PolarHBondContact O-N 3.45Å; K647-K650 PolarHBondContact O-N 3.39Å; K647-S651 PolarHBondContact O-N 2.77Å |
| 648 | N | 46.7 | Very low | 45.7 | Very low | 96 Ų | 96 | 134.5 Ų | 134.5 | 51% | 0.513 | 64% | 0.637 | S | S | . | * | H | α-helix | trans | -64.1 | -41.7 | -179.9 | -72.8 | -5.9 | 0 | 0 | 0 | 112.2 | R644 N645 K650 S651 R652 | R644-N648 PolarHBondContact O-N 3.23Å; N645-N648 PolarHBondContact O-N 3.16Å; N645-N648 VanDerWaalsContact O-N 3.14Å; N648-K650 PolarHBondContact O-N 2.97Å; N648-S651 PolarHBondContact O-N 3.13Å; N648-S651 VanDerWaalsContact O-N 3.16Å; N648-S651 PolarHBondContact O-OG 3.17Å; N648-R652 PolarHBondContact O-N 3.09Å; N648-R652 VanDerWaalsContact O-N 3.12Å |
| 649 | F | 39.9 | Very low | 45 | Very low | 135 Ų | 135 | 138 Ų | 138 | 59% | 0.592 | 66% | 0.659 | S | S | * | * | H | α-helix | trans | -62.6 | -44 | 177.2 | -139.4 | -87.3 | 0 | 0 | 0 | 111.7 | N645 K647 S651 R652 L653 | N645-F649 PolarHBondContact O-N 3.44Å; K647-F649 PolarHBondContact O-N 3.45Å; F649-S651 PolarHBondContact O-N 2.92Å; F649-R652 PolarHBondContact O-N 3.05Å; F649-R652 VanDerWaalsContact O-N 3.15Å; F649-L653 HydrophobicContact CD1-CD1 4.31Å; F649-L653 HydrophobicContact CE1-CD1 4.09Å; F649-L653 PolarHBondContact O-N 3.01Å |
| 650 | K | 47.3 | Very low | 43.9 | Very low | 168 Ų | 168 | 145.4 Ų | 145.4 | 73% | 0.73 | 68% | 0.679 | S | S | * | * | H | α-helix | trans | -66.6 | -19 | 177.1 | -156.9 | 170.7 | -172.1 | 177.3 | 0 | 113.4 | K646 K647 N648 | K646-K650 WeakPolarHBondContact O-CB 3.49Å; K646-K650 PolarHBondContact O-N 3.35Å; K647-K650 PolarHBondContact O-N 3.39Å; N648-K650 PolarHBondContact O-N 2.97Å |
| 651 | S | 44.9 | Very low | 43.1 | Very low | 70 Ų | 70 | 148 Ų | 148 | 49% | 0.49 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -85 | -32.5 | 171.9 | 78.7 | 0 | 0 | 0 | 0 | 113.4 | K647 N648 F649 | K647-S651 PolarHBondContact O-N 2.77Å; N648-S651 PolarHBondContact O-N 3.13Å; N648-S651 VanDerWaalsContact O-N 3.16Å; N648-S651 PolarHBondContact O-OG 3.17Å; F649-S651 PolarHBondContact O-N 2.92Å |
| 652 | R | 44.5 | Very low | 42.1 | Very low | 200 Ų | 200 | 150.4 Ų | 150.4 | 76% | 0.755 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -73 | -41.4 | 173.6 | -83 | -173.6 | 164.1 | -168.7 | -5.9 | 112.5 | N648 F649 K654 R655 | N648-R652 PolarHBondContact O-N 3.09Å; N648-R652 VanDerWaalsContact O-N 3.12Å; F649-R652 PolarHBondContact O-N 3.05Å; F649-R652 VanDerWaalsContact O-N 3.15Å; R652-K654 PolarHBondContact O-N 2.76Å; R652-K654 VanDerWaalsContact O-N 3.1Å; R652-R655 PolarHBondContact O-N 3.48Å |
| 653 | L | 40.5 | Very low | 41.2 | Very low | 119 Ų | 119 | 152.5 Ų | 152.5 | 62% | 0.623 | 73% | 0.725 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | -20.2 | -179.5 | -135.8 | 78 | 0 | 0 | 0 | 113.8 | F649 R655 | F649-L653 HydrophobicContact CD1-CD1 4.31Å; F649-L653 HydrophobicContact CE1-CD1 4.09Å; F649-L653 PolarHBondContact O-N 3.01Å; L653-R655 VanDerWaalsContact C-N 3.33Å |
| 654 | K | 43.8 | Very low | 40.1 | Very low | 179 Ų | 179 | 152 Ų | 152 | 78% | 0.778 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.9 | 4.5 | 174.3 | -84.3 | -162.1 | 169.3 | -164.2 | 0 | 114.7 | R652 | R652-K654 PolarHBondContact O-N 2.76Å; R652-K654 VanDerWaalsContact O-N 3.1Å |
| 655 | R | 45 | Very low | 39.2 | Very low | 230 Ų | 230 | 148.1 Ų | 148.1 | 87% | 0.868 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -118.3 | -5 | -176.7 | -79.6 | -176 | 168 | 170.3 | -3.6 | 115.7 | R652 L653 | R652-R655 PolarHBondContact O-N 3.48Å; L653-R655 VanDerWaalsContact C-N 3.33Å |
| 656 | T | 38.2 | Very low | 38.4 | Very low | 115 Ų | 115 | 150.7 Ų | 150.7 | 71% | 0.706 | 75% | 0.745 | S | S | * | * | trans | -106.9 | -1.2 | -174.4 | 48.3 | 0 | 0 | 0 | 0 | 115 | K658 | T656-K658 VanDerWaalsContact C-N 3.28Å; T656-K658 PolarHBondContact O-N 3.41Å | ||
| 657 | S | 31.9 | Very low | 37.1 | Very low | 104 Ų | 104 | 147 Ų | 147 | 73% | 0.727 | 74% | 0.742 | S | S | * | * | trans | -81 | 61 | -178.4 | 61.7 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 658 | K | 36.4 | Very low | 35.8 | Very low | 190 Ų | 190 | 147.5 Ų | 147.5 | 83% | 0.826 | 75% | 0.751 | S | S | * | * | trans | -163.9 | 68.2 | 175.2 | -118.9 | 176.7 | -173.2 | -173.8 | 0 | 114.9 | T656 | T656-K658 VanDerWaalsContact C-N 3.28Å; T656-K658 PolarHBondContact O-N 3.41Å | ||
| 659 | N | 35.2 | Very low | 35 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 91% | 0.909 | 76% | 0.762 | S | S | * | * | trans | -178 | 162.9 | 139.2 | -96.1 | -9.4 | 0 | 0 | 0 | 111 | ||||
| 660 | R | 30.5 | Very low | 34.6 | Very low | 233 Ų | 233 | 149.2 Ų | 149.2 | 88% | 0.879 | 77% | 0.765 | S | S | * | * | trans | -136.2 | 161.9 | -176.2 | -86.1 | -176 | 170.2 | 171.3 | -5.1 | 111 | ||||
| 661 | N | 32 | Very low | 33.7 | Very low | 152 Ų | 152 | 150.3 Ų | 150.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | 80.9 | 162.2 | 162.4 | -60.2 | -3 | 0 | 0 | 0 | 118.9 | ||||
| 662 | C | 31.9 | Very low | 33.1 | Very low | 123 Ų | 123 | 153.3 Ų | 153.3 | 83% | 0.831 | 78% | 0.776 | S | S | * | * | trans | 81.2 | 70 | 172.4 | -58.4 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 663 | M | 27.4 | Very low | 32.6 | Very low | 184 Ų | 184 | 150.5 Ų | 150.5 | 91% | 0.906 | 77% | 0.772 | S | S | * | * | 50.4 | 132.6 | 120.2 | -87.9 | -64.5 | -177.4 | 0 | 0 | 123.5 | |||||
| 664 | S | 26.8 | Very low | 32.2 | Very low | 96 Ų | 96 | 150.8 Ų | 150.8 | 67% | 0.671 | 77% | 0.773 | S | S | * | * | trans | 75 | 149.8 | 142.6 | -150 | 0 | 0 | 0 | 0 | 121 | ||||
| 665 | S | 26.7 | Very low | 31.7 | Very low | 113 Ų | 113 | 146.2 Ų | 146.2 | 79% | 0.79 | 76% | 0.763 | S | S | * | * | trans | 65 | 39.8 | 151.5 | -49 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 666 | I | 29.4 | Very low | 31 | Very low | 161 Ų | 161 | 141.1 Ų | 141.1 | 83% | 0.826 | 75% | 0.753 | S | S | * | * | trans | -124.5 | 102.5 | 156.4 | -59 | -177 | 0 | 0 | 0 | 110.4 | ||||
| 667 | S | 25.5 | Very low | 30.6 | Very low | 95 Ų | 95 | 143.7 Ų | 143.7 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -77.1 | 165.7 | 170.9 | 47.3 | 0 | 0 | 0 | 0 | 112.1 | N669 | S667-N669 PolarHBondContact O-N 2.9Š| ||
| 668 | L | 28 | Very low | 30.5 | Very low | 165 Ų | 165 | 146.6 Ų | 146.6 | 86% | 0.864 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 47.4 | 62.1 | 153.2 | -70.4 | 163.1 | 0 | 0 | 0 | 117.7 | ||
| 669 | N | 30.3 | Very low | 30.3 | Very low | 141 Ų | 141 | 145 Ų | 145 | 75% | 0.754 | 76% | 0.761 | S | S | * | * | S | Bend | trans | -158 | -28.2 | 151.9 | -112.4 | -60.1 | 0 | 0 | 0 | 116.6 | S667 | S667-N669 PolarHBondContact O-N 2.9Š|
| 670 | L | 30.3 | Very low | 29.8 | Very low | 125 Ų | 125 | 141.6 Ų | 141.6 | 65% | 0.654 | 75% | 0.751 | S | S | * | * | S | Bend | trans | -90.2 | -22.3 | -171.3 | -89.8 | 158 | 0 | 0 | 0 | 116.2 | N672 Q673 | L670-N672 PolarHBondContact O-N 3.37Å; L670-Q673 PolarHBondContact O-N 3.27Å |
| 671 | Y | 28.6 | Very low | 29.8 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 75% | 0.753 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -66.4 | -39.6 | -175.7 | -154.2 | -104.7 | 0 | 0 | 0 | 112.6 | Q673 I674 | Y671-Q673 PolarHBondContact O-N 2.8Å; Y671-I674 PolarHBondContact O-N 3.24Å |
| 672 | N | 33 | Very low | 29.7 | Very low | 132 Ų | 132 | 138.7 Ų | 138.7 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | H | α-helix | trans | -67.6 | -15 | -179.4 | -76.9 | -18.4 | 0 | 0 | 0 | 114.7 | L670 N676 | L670-N672 PolarHBondContact O-N 3.37Å; N672-N676 PolarHBondContact O-ND2 2.94Å |
| 673 | Q | 34.1 | Very low | 29.5 | Very low | 142 Ų | 142 | 142.5 Ų | 142.5 | 66% | 0.664 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -91 | -13.1 | 175.9 | -72.6 | -169.1 | -9.8 | 0 | 0 | 114 | L670 Y671 | L670-Q673 PolarHBondContact O-N 3.27Å; Y671-Q673 PolarHBondContact O-N 2.8Å |
| 674 | I | 32.4 | Very low | 29.3 | Very low | 124 Ų | 124 | 139.3 Ų | 139.3 | 64% | 0.636 | 75% | 0.75 | S | S | * | * | H | α-helix | trans | -99.5 | -37.5 | -174.9 | -63.6 | 177.3 | 0 | 0 | 0 | 111.7 | Y671 N676 | Y671-I674 PolarHBondContact O-N 3.24Å; I674-N676 PolarHBondContact O-N 3.08Å |
| 675 | S | 31.6 | Very low | 29.4 | Very low | 83 Ų | 83 | 139.3 Ų | 139.3 | 58% | 0.58 | 75% | 0.746 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.2 | 6.6 | 178.9 | -58 | 0 | 0 | 0 | 0 | 115.5 | ||
| 676 | N | 30.2 | Very low | 29.5 | Very low | 123 Ų | 123 | 139 Ų | 139 | 66% | 0.658 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -106.6 | 0.7 | -178.9 | -84.5 | -70.7 | 0 | 0 | 0 | 114.9 | N672 I674 | N672-N676 PolarHBondContact O-ND2 2.94Å; I674-N676 PolarHBondContact O-N 3.08Å |
| 677 | E | 30 | Very low | 29.5 | Very low | 170 Ų | 170 | 136.6 Ų | 136.6 | 79% | 0.794 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -125.1 | 11.8 | -178.2 | -136.5 | 178.7 | -175.8 | 0 | 0 | 115.2 | ||
| 678 | M | 31.2 | Very low | 29.5 | Very low | 164 Ų | 164 | 139.7 Ų | 139.7 | 81% | 0.808 | 74% | 0.74 | S | S | * | * | S | Bend | trans | -135.3 | 81 | 179.3 | -83.5 | -71.6 | -169.1 | 0 | 0 | 113.3 | ||
| 679 | L | 30.4 | Very low | 29.6 | Very low | 156 Ų | 156 | 143.4 Ų | 143.4 | 82% | 0.817 | 74% | 0.744 | S | S | * | * | 178.6 | 94.8 | 126.8 | -118.6 | 77.5 | 0 | 0 | 0 | 110.1 | |||||
| 680 | S | 26 | Very low | 29.4 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 74% | 0.743 | S | S | * | * | trans | -121.3 | 66.1 | 166.5 | 70.4 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 681 | H | 29.5 | Very low | 29.3 | Very low | 186 Ų | 186 | 140 Ų | 140 | 86% | 0.861 | 74% | 0.742 | S | S | * | * | trans | -169.6 | 80.4 | 167 | -92.9 | -59 | 0 | 0 | 0 | 113.7 | ||||
| 682 | T | 30.5 | Very low | 29.2 | Very low | 138 Ų | 138 | 136.8 Ų | 136.8 | 85% | 0.847 | 74% | 0.742 | S | S | * | * | trans | -159.6 | 153.4 | 147.7 | 15.5 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 683 | K | 26.9 | Very low | 29.1 | Very low | 203 Ų | 203 | 135.3 Ų | 135.3 | 88% | 0.883 | 73% | 0.734 | S | S | * | * | trans | -124.1 | 151.5 | -178.3 | -74.1 | -177.8 | 175.5 | 179.1 | 0 | 111 | ||||
| 684 | S | 24.2 | Very low | 28.7 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 74% | 0.737 | S | S | * | * | trans | 77.3 | 164.4 | 144.9 | -155.4 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 685 | V | 27.8 | Very low | 28.7 | Very low | 96 Ų | 96 | 134.4 Ų | 134.4 | 58% | 0.582 | 74% | 0.735 | S | S | * | * | trans | 98.4 | 105 | 161.3 | -169.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 686 | V | 29.6 | Very low | 28.4 | Very low | 106 Ų | 106 | 138.4 Ų | 138.4 | 64% | 0.642 | 75% | 0.747 | S | S | * | * | trans | 69.2 | 94.5 | 153.9 | 178.7 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 687 | S | 28.9 | Very low | 28.4 | Very low | 110 Ų | 110 | 141.4 Ų | 141.4 | 77% | 0.769 | 76% | 0.755 | S | S | * | * | trans | -70.1 | 132.3 | 133.1 | 55.4 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 688 | Q | 26.7 | Very low | 28.2 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.752 | 75% | 0.753 | S | S | * | * | trans | 158.8 | 103.1 | 151.7 | -94.2 | 169.3 | -11.6 | 0 | 0 | 109.9 | ||||
| 689 | Y | 28.9 | Very low | 28.1 | Very low | 243 Ų | 243 | 139 Ų | 139 | 95% | 0.953 | 75% | 0.749 | S | S | * | * | trans | -149 | 114.2 | 135.7 | -103.1 | -73 | 0 | 0 | 0 | 108.1 | ||||
| 690 | S | 25.9 | Very low | 28 | Very low | 105 Ų | 105 | 138.8 Ų | 138.8 | 73% | 0.734 | 75% | 0.748 | S | S | * | * | trans | -88.6 | 164.1 | 171.6 | 46.9 | 0 | 0 | 0 | 0 | 110.4 | V692 | S690-V692 PolarHBondContact O-N 2.85Š| ||
| 691 | S | 28.1 | Very low | 28.1 | Very low | 90 Ų | 90 | 140 Ų | 140 | 63% | 0.629 | 76% | 0.757 | S | S | * | * | trans | -53.6 | 117.6 | -179.6 | 57.3 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 692 | V | 28.2 | Very low | 28 | Very low | 124 Ų | 124 | 135 Ų | 135 | 75% | 0.752 | 76% | 0.755 | S | S | * | * | trans | -142.3 | 116.2 | 150.5 | -177.4 | 0 | 0 | 0 | 0 | 106.5 | S690 | S690-V692 PolarHBondContact O-N 2.85Š| ||
| 693 | D | 29.7 | Very low | 28.1 | Very low | 101 Ų | 101 | 133.7 Ų | 133.7 | 54% | 0.54 | 75% | 0.752 | S | S | . | * | trans | -151.9 | 67.1 | 166.2 | -128 | -31.4 | 0 | 0 | 0 | 109.7 | Q695 | D693-Q695 PolarHBondContact O-N 3.07Å; D693-Q695 PolarHBondContact OD1-NE2 3.26Å | ||
| 694 | T | 27 | Very low | 28.2 | Very low | 117 Ų | 117 | 131.9 Ų | 131.9 | 72% | 0.718 | 75% | 0.752 | S | S | * | * | trans | -84.9 | 95.4 | 168.1 | -52 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 695 | Q | 32.2 | Very low | 28.6 | Very low | 129 Ų | 129 | 131.3 Ų | 131.3 | 60% | 0.603 | 75% | 0.748 | S | S | * | * | trans | -109 | 83.6 | 172.9 | -69.4 | -166.4 | 38.2 | 0 | 0 | 111.4 | D693 F697 | D693-Q695 PolarHBondContact O-N 3.07Å; D693-Q695 PolarHBondContact OD1-NE2 3.26Å; Q695-F697 PolarHBondContact O-N 3.31Å | ||
| 696 | M | 24.4 | Very low | 28.7 | Very low | 168 Ų | 168 | 134.2 Ų | 134.2 | 83% | 0.828 | 76% | 0.76 | S | S | * | * | trans | -72.9 | 110.6 | 159.5 | 176.6 | 179.5 | 70.5 | 0 | 0 | 108.5 | ||||
| 697 | F | 29.4 | Very low | 28.7 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 82% | 0.816 | 77% | 0.77 | S | S | * | * | trans | -126.9 | 118.1 | 163.3 | -88.7 | -73.7 | 0 | 0 | 0 | 110.2 | Q695 | Q695-F697 PolarHBondContact O-N 3.31Š| ||
| 698 | H | 27.6 | Very low | 28.8 | Very low | 166 Ų | 166 | 139.1 Ų | 139.1 | 77% | 0.769 | 78% | 0.777 | S | S | * | * | trans | -108.6 | 169.8 | 174.4 | -155.6 | -81.9 | 0 | 0 | 0 | 107.8 | ||||
| 699 | V | 29.1 | Very low | 29.1 | Very low | 117 Ų | 117 | 138.3 Ų | 138.3 | 71% | 0.709 | 78% | 0.782 | S | S | * | * | trans | 72.2 | 141.9 | 178 | -158.4 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 700 | D | 28.4 | Very low | 29.1 | Very low | 151 Ų | 151 | 132.9 Ų | 132.9 | 81% | 0.807 | 78% | 0.775 | S | S | * | * | cis | -96.9 | 153.3 | 12.4 | -64.3 | -72.2 | 0 | 0 | 0 | 116.7 | ||||
| 701 | S | 26.9 | Very low | 29.3 | Very low | 127 Ų | 127 | 133.5 Ų | 133.5 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -142.3 | 106.6 | 162.1 | -68 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 702 | G | 28.6 | Very low | 29.4 | Very low | 80 Ų | 80 | 136.7 Ų | 136.7 | 83% | 0.825 | 79% | 0.789 | S | S | * | * | trans | -170.4 | 66.9 | -164.3 | 0 | 0 | 0 | 0 | 0 | 114.9 | ||||
| 703 | S | 32.2 | Very low | 29.6 | Very low | 111 Ų | 111 | 139.3 Ų | 139.3 | 78% | 0.776 | 79% | 0.793 | S | S | * | * | trans | -153.9 | 94.5 | 161.7 | 61.9 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 704 | N | 29.4 | Very low | 29.5 | Very low | 164 Ų | 164 | 139.9 Ų | 139.9 | 88% | 0.877 | 81% | 0.805 | S | S | * | * | trans | -70.1 | 132.8 | 162.1 | -71.9 | 2.6 | 0 | 0 | 0 | 108.5 | ||||
| 705 | S | 31.6 | Very low | 29.7 | Very low | 105 Ų | 105 | 144.4 Ų | 144.4 | 73% | 0.734 | 81% | 0.81 | S | S | * | * | trans | -151.7 | 98.3 | 160.7 | 61.8 | 0 | 0 | 0 | 0 | 108.6 | C707 | S705-C707 PolarHBondContact O-N 3.43Š| ||
| 706 | D | 29.5 | Very low | 29.6 | Very low | 157 Ų | 157 | 148.8 Ų | 148.8 | 84% | 0.84 | 82% | 0.822 | S | S | * | * | trans | -63.4 | 125.1 | 175.9 | -54.1 | -79.9 | 0 | 0 | 0 | 110.2 | ||||
| 707 | C | 30.4 | Very low | 29.7 | Very low | 127 Ų | 127 | 146.8 Ų | 146.8 | 86% | 0.858 | 82% | 0.824 | S | S | * | * | trans | -150.6 | 90.6 | 168 | -111.8 | 0 | 0 | 0 | 0 | 108.9 | S705 | S705-C707 PolarHBondContact O-N 3.43Š| ||
| 708 | E | 30.5 | Very low | 29.7 | Very low | 193 Ų | 193 | 147 Ų | 147 | 90% | 0.902 | 82% | 0.824 | S | S | * | * | trans | -59 | 136.7 | 155.4 | -60 | -178.8 | 116.3 | 0 | 0 | 108.9 | ||||
| 709 | V | 32.7 | Very low | 29.8 | Very low | 144 Ų | 144 | 144.6 Ų | 144.6 | 87% | 0.873 | 83% | 0.826 | S | S | * | * | trans | -161.3 | 135.6 | 137 | 134 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 710 | T | 28.8 | Very low | 30.2 | Very low | 129 Ų | 129 | 146.1 Ų | 146.1 | 79% | 0.791 | 83% | 0.829 | S | S | * | * | trans | -74.7 | 142 | -177.1 | 46.9 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 711 | S | 31 | Very low | 30.4 | Very low | 117 Ų | 117 | 143.8 Ų | 143.8 | 82% | 0.818 | 82% | 0.821 | S | S | * | * | 176.5 | 138.8 | 122.9 | 42.5 | 0 | 0 | 0 | 0 | 114.2 | H713 | S711-H713 PolarHBondContact O-N 2.92Š| |||
| 712 | N | 29.4 | Very low | 30.7 | Very low | 158 Ų | 158 | 145.2 Ų | 145.2 | 85% | 0.845 | 82% | 0.819 | S | S | * | * | trans | -46.4 | 121.7 | -178.5 | -54.9 | -29 | 0 | 0 | 0 | 115.8 | ||||
| 713 | H | 33.2 | Very low | 31.2 | Very low | 179 Ų | 179 | 146.4 Ų | 146.4 | 83% | 0.829 | 81% | 0.807 | S | S | * | * | trans | -144 | 108.7 | 146.6 | -111.7 | 48.9 | 0 | 0 | 0 | 110.7 | S711 | S711-H713 PolarHBondContact O-N 2.92Š| ||
| 714 | S | 28.2 | Very low | 31.7 | Very low | 113 Ų | 113 | 146.7 Ų | 146.7 | 79% | 0.79 | 80% | 0.804 | S | S | * | * | trans | -84.5 | 118.6 | -175.1 | 43.2 | 0 | 0 | 0 | 0 | 112 | ||||
| 715 | Y | 30.8 | Very low | 32.5 | Very low | 212 Ų | 212 | 141.8 Ų | 141.8 | 83% | 0.831 | 78% | 0.782 | S | S | * | * | trans | -129.1 | 117.7 | 164.9 | -89.9 | -84.3 | 0 | 0 | 0 | 110.8 | C717 | Y715-C717 PolarHBondContact O-N 3.02Š| ||
| 716 | Y | 29 | Very low | 33.1 | Very low | 220 Ų | 220 | 141.9 Ų | 141.9 | 86% | 0.863 | 77% | 0.771 | S | S | * | * | trans | -47.3 | 124.2 | -175.5 | -90.4 | -110.1 | 0 | 0 | 0 | 113.5 | K718 | Y716-K718 PolarHBondContact O-N 3.2Š| ||
| 717 | C | 26.5 | Very low | 34.3 | Very low | 127 Ų | 127 | 139.8 Ų | 139.8 | 86% | 0.858 | 76% | 0.759 | S | S | * | * | trans | -63.2 | 126.3 | 151.9 | -74.6 | 0 | 0 | 0 | 0 | 108.5 | Y715 | Y715-C717 PolarHBondContact O-N 3.02Š| ||
| 718 | K | 30.4 | Very low | 35.6 | Very low | 191 Ų | 191 | 139.8 Ų | 139.8 | 83% | 0.83 | 75% | 0.747 | S | S | * | * | trans | -98.3 | 104.8 | 163.6 | -85.6 | -172.4 | 171 | -178.3 | 0 | 108.2 | Y716 | Y716-K718 PolarHBondContact O-N 3.2Š| ||
| 719 | S | 30.2 | Very low | 37 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 80% | 0.797 | 73% | 0.727 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 135.1 | 163.5 | 34.7 | 0 | 0 | 0 | 0 | 109.9 | ||
| 720 | I | 35.8 | Very low | 38.3 | Very low | 150 Ų | 150 | 135.9 Ų | 135.9 | 77% | 0.769 | 71% | 0.713 | S | S | * | * | P | Polyproline II helix | trans | -95.9 | 123 | 164.7 | -61.8 | 175.6 | 0 | 0 | 0 | 104.4 | ||
| 721 | P | 33.2 | Very low | 40.1 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 66% | 0.656 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -76.8 | 129.9 | 178.6 | 30.4 | -32.6 | 0 | 0 | 0 | 109.9 | ||
| 722 | D | 33.5 | Very low | 41.5 | Very low | 158 Ų | 158 | 132.9 Ų | 132.9 | 85% | 0.845 | 67% | 0.674 | S | S | * | * | P | Polyproline II helix | trans | -65.2 | 132.9 | 170.5 | -66.4 | -69 | 0 | 0 | 0 | 110.4 | ||
| 723 | N | 38.4 | Very low | 43.3 | Very low | 104 Ų | 104 | 132.4 Ų | 132.4 | 56% | 0.556 | 66% | 0.66 | S | S | * | * | trans | -141.2 | 91.8 | 176.8 | -104 | -57.2 | 0 | 0 | 0 | 107.8 | S725 E726 | N723-S725 PolarHBondContact O-N 3.47Å; N723-S725 VanDerWaalsContact O-N 3.16Å; N723-E726 PolarHBondContact O-N 3.18Å | ||
| 724 | T | 43.4 | Very low | 44.9 | Very low | 118 Ų | 118 | 129.8 Ų | 129.8 | 72% | 0.724 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -49.8 | -37.2 | 176.3 | 45 | 0 | 0 | 0 | 0 | 112.2 | E726 L727 E728 | T724-E726 PolarHBondContact O-N 3.21Å; T724-L727 WeakPolarHBondContact O-CB 3.26Å; T724-L727 PolarHBondContact O-N 2.99Å; T724-E728 PolarHBondContact O-N 3.21Å |
| 725 | S | 45.4 | Very low | 46.6 | Very low | 60 Ų | 60 | 129.2 Ų | 129.2 | 42% | 0.42 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -55 | -29.2 | 175.7 | 61.3 | 0 | 0 | 0 | 0 | 115 | N723 Q729 | N723-S725 PolarHBondContact O-N 3.47Å; N723-S725 VanDerWaalsContact O-N 3.16Å; S725-Q729 VanDerWaalsContact O-CB 3.22Å; S725-Q729 WeakPolarHBondContact O-CB 3.35Å; S725-Q729 PolarHBondContact O-N 2.89Å |
| 726 | E | 44.1 | Very low | 48.5 | Very low | 107 Ų | 107 | 121.1 Ų | 121.1 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -77.4 | -28.7 | 176.2 | -143.1 | -151.4 | 134.5 | 0 | 0 | 112.2 | N723 T724 R730 | N723-E726 PolarHBondContact O-N 3.18Å; T724-E726 PolarHBondContact O-N 3.21Å; E726-R730 WeakPolarHBondContact O-CB 3.41Å; E726-R730 WeakPolarHBondContact O-CD 3.17Å; E726-R730 WeakPolarHBondContact O-CG 3.45Å; E726-R730 PolarHBondContact O-N 3.01Å; E726-R730 VanDerWaalsContact O-N 3.1Å; E726-R730 IonicContact OE1-CZ 2.62Å; E726-R730 IonicContact OE1-NE 3.81Å; E726-R730 PolarHBondContact OE1-NE 3.3Å; E726-R730 IonicContact OE1-NH2 2.73Å; E726-R730 PolarHBondContact OE1-NH2 2.93Å; E726-R730 IonicContact OE2-NH2 2.81Å |
| 727 | L | 55.8 | Low | 50.4 | Low | 113 Ų | 113 | 118.5 Ų | 118.5 | 59% | 0.592 | 60% | 0.595 | S | S | * | * | H | α-helix | trans | -71.5 | -48.9 | 175.8 | -168.7 | 72.6 | 0 | 0 | 0 | 110.4 | T724 Q729 R730 Q731 | T724-L727 WeakPolarHBondContact O-CB 3.26Å; T724-L727 PolarHBondContact O-N 2.99Å; L727-Q729 PolarHBondContact O-N 3.44Å; L727-R730 PolarHBondContact O-N 2.85Å; L727-Q731 WeakPolarHBondContact O-CG 3.47Å; L727-Q731 PolarHBondContact O-N 3.32Å |
| 728 | E | 57.1 | Low | 52.4 | Low | 128 Ų | 128 | 116.6 Ų | 116.6 | 60% | 0.598 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -58.4 | -46.6 | 174.7 | -66.6 | -174.1 | 146 | 0 | 0 | 111.5 | T724 R730 Q731 W732 | T724-E728 PolarHBondContact O-N 3.21Å; E728-R730 VanDerWaalsContact C-N 3.25Å; E728-R730 PolarHBondContact O-N 3.28Å; E728-Q731 PolarHBondContact O-N 3.44Å; E728-Q731 VanDerWaalsContact O-N 3.14Å; E728-W732 WeakPolarHBondContact O-CB 3.25Å; E728-W732 PolarHBondContact O-N 3.07Å |
| 729 | Q | 60 | Low | 53.7 | Low | 105 Ų | 105 | 112.6 Ų | 112.6 | 49% | 0.491 | 56% | 0.561 | S | S | . | * | H | α-helix | trans | -67.4 | -27 | -179.4 | -160.2 | -178.3 | 109.8 | 0 | 0 | 112.3 | S725 L727 R733 | S725-Q729 VanDerWaalsContact O-CB 3.22Å; S725-Q729 WeakPolarHBondContact O-CB 3.35Å; S725-Q729 PolarHBondContact O-N 2.89Å; L727-Q729 PolarHBondContact O-N 3.44Å; Q729-R733 WeakPolarHBondContact O-CB 3.28Å; Q729-R733 WeakPolarHBondContact O-CD 3.36Å; Q729-R733 WeakPolarHBondContact O-CG 3.49Å; Q729-R733 PolarHBondContact O-N 2.89Å |
| 730 | R | 60 | Low | 55.6 | Low | 150 Ų | 150 | 112.5 Ų | 112.5 | 57% | 0.566 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -72.3 | -43.5 | 169.5 | -74.8 | 169.6 | -176.9 | -159.6 | 9 | 111.8 | E726 L727 E728 M734 | E726-R730 WeakPolarHBondContact O-CB 3.41Å; E726-R730 WeakPolarHBondContact O-CD 3.17Å; E726-R730 WeakPolarHBondContact O-CG 3.45Å; E726-R730 PolarHBondContact O-N 3.01Å; E726-R730 VanDerWaalsContact O-N 3.1Å; E726-R730 IonicContact OE1-CZ 2.62Å; E726-R730 IonicContact OE1-NE 3.81Å; E726-R730 PolarHBondContact OE1-NE 3.3Å; E726-R730 IonicContact OE1-NH2 2.73Å; E726-R730 PolarHBondContact OE1-NH2 2.93Å; E726-R730 IonicContact OE2-NH2 2.81Å; L727-R730 PolarHBondContact O-N 2.85Å; E728-R730 VanDerWaalsContact C-N 3.25Å; E728-R730 PolarHBondContact O-N 3.28Å; R730-M734 WeakPolarHBondContact O-CB 3.47Å; R730-M734 PolarHBondContact O-N 2.67Å |
| 731 | Q | 66.9 | Low | 57.3 | Low | 107 Ų | 107 | 109 Ų | 109 | 50% | 0.5 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.9 | -47.2 | 174.9 | -73.8 | 178.6 | -13.4 | 0 | 0 | 111.4 | L727 E728 M734 Q735 | L727-Q731 WeakPolarHBondContact O-CG 3.47Å; L727-Q731 PolarHBondContact O-N 3.32Å; E728-Q731 PolarHBondContact O-N 3.44Å; E728-Q731 VanDerWaalsContact O-N 3.14Å; Q731-M734 CarbonylContact O-C 3.59Å; Q731-M734 WeakPolarHBondContact O-CA 3.41Å; Q731-M734 VanDerWaalsContact O-CB 3.3Å; Q731-M734 WeakPolarHBondContact O-CB 3.43Å; Q731-M734 PolarHBondContact O-N 3.33Å; Q731-Q735 WeakPolarHBondContact O-CG 3.42Å; Q731-Q735 PolarHBondContact O-N 3.31Å |
| 732 | W | 60.8 | Low | 59 | Low | 75 Ų | 75 | 106.4 Ų | 106.4 | 28% | 0.284 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -63.6 | -44.1 | 179.9 | -161.9 | 83.3 | 0 | 0 | 0 | 112.4 | D299 E728 M734 Q735 V736 | D299-W732 VanDerWaalsContact OD2-CD1 3.31Å; D299-W732 PolarHBondContact OD2-NE1 3.37Å; E728-W732 WeakPolarHBondContact O-CB 3.25Å; E728-W732 PolarHBondContact O-N 3.07Å; W732-M734 PolarHBondContact O-N 2.92Å; W732-Q735 PolarHBondContact O-N 3Å; W732-V736 HydrophobicContact CD2-CG2 3.98Å; W732-V736 HydrophobicContact CE3-CG2 3.89Å; W732-V736 HydrophobicContact CH2-CG2 3.9Å; W732-V736 HydrophobicContact CZ2-CG2 3.97Å; W732-V736 HydrophobicContact CZ3-CG2 3.85Å; W732-V736 WeakPolarHBondContact O-CG2 3.45Å; W732-V736 PolarHBondContact O-N 3.4Å |
| 733 | R | 67.5 | Low | 60.5 | Low | 148 Ų | 148 | 100.7 Ų | 100.7 | 56% | 0.558 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -61.4 | -29.9 | 172 | -73.6 | 174.8 | -167.9 | -156.7 | 11.1 | 112.8 | Q729 R737 | Q729-R733 WeakPolarHBondContact O-CB 3.28Å; Q729-R733 WeakPolarHBondContact O-CD 3.36Å; Q729-R733 WeakPolarHBondContact O-CG 3.49Å; Q729-R733 PolarHBondContact O-N 2.89Å; R733-R737 WeakPolarHBondContact O-CB 3.38Å; R733-R737 VanDerWaalsContact O-CG 3.3Å; R733-R737 WeakPolarHBondContact O-CG 3.45Å; R733-R737 PolarHBondContact O-N 2.8Å |
| 734 | M | 65.4 | Low | 62 | Low | 125 Ų | 125 | 101.5 Ų | 101.5 | 62% | 0.616 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -73.6 | -47.4 | 175.7 | -160 | -174.5 | -52.3 | 0 | 0 | 110.7 | R730 Q731 W732 R737 T738 | R730-M734 WeakPolarHBondContact O-CB 3.47Å; R730-M734 PolarHBondContact O-N 2.67Å; Q731-M734 CarbonylContact O-C 3.59Å; Q731-M734 WeakPolarHBondContact O-CA 3.41Å; Q731-M734 VanDerWaalsContact O-CB 3.3Å; Q731-M734 WeakPolarHBondContact O-CB 3.43Å; Q731-M734 PolarHBondContact O-N 3.33Å; W732-M734 PolarHBondContact O-N 2.92Å; M734-R737 PolarHBondContact O-N 3.47Å; M734-T738 PolarHBondContact O-N 2.91Å; M734-T738 PolarHBondContact O-OG1 3.34Å; M734-T738 VanDerWaalsContact O-OG1 3.07Å |
| 735 | Q | 64.7 | Low | 63.1 | Low | 101 Ų | 101 | 100.7 Ų | 100.7 | 47% | 0.472 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -58.2 | -50.8 | 176 | -72.1 | 172.3 | -11.3 | 0 | 0 | 112.1 | Q731 W732 R737 T738 Y739 | Q731-Q735 WeakPolarHBondContact O-CG 3.42Å; Q731-Q735 PolarHBondContact O-N 3.31Å; W732-Q735 PolarHBondContact O-N 3Å; Q735-R737 VanDerWaalsContact C-N 3.3Å; Q735-R737 PolarHBondContact O-N 3Å; Q735-T738 WeakPolarHBondContact O-CB 3.5Å; Q735-T738 PolarHBondContact O-N 2.98Å; Q735-Y739 HydrophobicContact CB-CE2 4.23Å; Q735-Y739 WeakPolarHBondContact O-CD2 3.45Å; Q735-Y739 PolarHBondContact O-N 3.05Å |
| 736 | V | 70 | Confident | 64 | Low | 41 Ų | 41 | 99.5 Ų | 99.5 | 25% | 0.248 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -60.5 | -38.7 | 178.6 | 173.3 | 0 | 0 | 0 | 0 | 111.8 | W732 Y739 L740 | W732-V736 HydrophobicContact CD2-CG2 3.98Å; W732-V736 HydrophobicContact CE3-CG2 3.89Å; W732-V736 HydrophobicContact CH2-CG2 3.9Å; W732-V736 HydrophobicContact CZ2-CG2 3.97Å; W732-V736 HydrophobicContact CZ3-CG2 3.85Å; W732-V736 WeakPolarHBondContact O-CG2 3.45Å; W732-V736 PolarHBondContact O-N 3.4Å; V736-Y739 PolarHBondContact O-N 3.34Å; V736-L740 HydrophobicContact CG1-CD1 4.07Å; V736-L740 WeakPolarHBondContact O-CG 3.38Å; V736-L740 PolarHBondContact O-N 3.47Å |
| 737 | R | 68.4 | Low | 65 | Low | 165 Ų | 165 | 99 Ų | 99 | 62% | 0.623 | 47% | 0.474 | S | S | * | . | H | α-helix | trans | -65.8 | -39.9 | 172.2 | -79.4 | 177 | 168.3 | -166.7 | -6.8 | 112.7 | R733 M734 Q735 L740 N741 | R733-R737 WeakPolarHBondContact O-CB 3.38Å; R733-R737 VanDerWaalsContact O-CG 3.3Å; R733-R737 WeakPolarHBondContact O-CG 3.45Å; R733-R737 PolarHBondContact O-N 2.8Å; M734-R737 PolarHBondContact O-N 3.47Å; Q735-R737 VanDerWaalsContact C-N 3.3Å; Q735-R737 PolarHBondContact O-N 3Å; R737-L740 PolarHBondContact O-N 2.79Å; R737-N741 VanDerWaalsContact O-CB 3.31Å; R737-N741 WeakPolarHBondContact O-CB 3.34Å; R737-N741 VanDerWaalsContact O-CG 3.23Å; R737-N741 PolarHBondContact O-N 3.23Å; R737-N741 PolarHBondContact O-OD1 2.97Å; R737-N741 VanDerWaalsContact O-OD1 3.12Å |
| 738 | T | 68.6 | Low | 65.7 | Low | 88 Ų | 88 | 98 Ų | 98 | 54% | 0.54 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.5 | -60.2 | 0 | 0 | 0 | 0 | 111.5 | M734 Q735 A742 | M734-T738 PolarHBondContact O-N 2.91Å; M734-T738 PolarHBondContact O-OG1 3.34Å; M734-T738 VanDerWaalsContact O-OG1 3.07Å; Q735-T738 WeakPolarHBondContact O-CB 3.5Å; Q735-T738 PolarHBondContact O-N 2.98Å; T738-A742 VanDerWaalsContact O-CB 3.26Å; T738-A742 WeakPolarHBondContact O-CB 3.48Å; T738-A742 PolarHBondContact O-N 3.39Å |
| 739 | Y | 59 | Low | 66.3 | Low | 107 Ų | 107 | 96.5 Ų | 96.5 | 42% | 0.42 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -65.2 | -44.3 | 175.8 | -67.2 | -55.8 | 0 | 0 | 0 | 112.6 | L292 Q735 V736 A742 A743 | L292-Y739 HydrophobicContact CD2-CE1 4.47Å; Q735-Y739 HydrophobicContact CB-CE2 4.23Å; Q735-Y739 WeakPolarHBondContact O-CD2 3.45Å; Q735-Y739 PolarHBondContact O-N 3.05Å; V736-Y739 PolarHBondContact O-N 3.34Å; Y739-A742 PolarHBondContact O-N 3.18Å; Y739-A743 PolarHBondContact O-N 3.27Å |
| 740 | L | 70.6 | Confident | 66.6 | Low | 111 Ų | 111 | 92.9 Ų | 92.9 | 58% | 0.581 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -63.8 | -45.5 | 176.7 | -71 | 170.2 | 0 | 0 | 0 | 112 | V736 R737 A742 A743 E744 | V736-L740 HydrophobicContact CG1-CD1 4.07Å; V736-L740 WeakPolarHBondContact O-CG 3.38Å; V736-L740 PolarHBondContact O-N 3.47Å; R737-L740 PolarHBondContact O-N 2.79Å; L740-A742 PolarHBondContact O-N 2.95Å; L740-A743 PolarHBondContact O-N 3.19Å; L740-E744 PolarHBondContact O-N 3.34Å |
| 741 | N | 71.6 | Confident | 67 | Low | 77 Ų | 77 | 92.3 Ų | 92.3 | 41% | 0.412 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -65.3 | -27.7 | 175.8 | -70.8 | 23 | 0 | 0 | 0 | 112.5 | R737 K745 | R737-N741 VanDerWaalsContact O-CB 3.31Å; R737-N741 WeakPolarHBondContact O-CB 3.34Å; R737-N741 VanDerWaalsContact O-CG 3.23Å; R737-N741 PolarHBondContact O-N 3.23Å; R737-N741 PolarHBondContact O-OD1 2.97Å; R737-N741 VanDerWaalsContact O-OD1 3.12Å; N741-K745 WeakPolarHBondContact O-CB 3.48Å; N741-K745 VanDerWaalsContact O-CG 3.29Å; N741-K745 WeakPolarHBondContact O-CG 3.48Å; N741-K745 PolarHBondContact O-N 3.35Å |
| 742 | A | 67.4 | Low | 67.2 | Low | 47 Ų | 47 | 93 Ų | 93 | 39% | 0.388 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -74.3 | -39.8 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | T738 Y739 L740 A746 | T738-A742 VanDerWaalsContact O-CB 3.26Å; T738-A742 WeakPolarHBondContact O-CB 3.48Å; T738-A742 PolarHBondContact O-N 3.39Å; Y739-A742 PolarHBondContact O-N 3.18Å; L740-A742 PolarHBondContact O-N 2.95Å; A742-A746 WeakPolarHBondContact O-CB 3.46Å; A742-A746 PolarHBondContact O-N 2.99Å |
| 743 | A | 65.9 | Low | 67.2 | Low | 38 Ų | 38 | 97 Ų | 97 | 31% | 0.314 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65 | -45.2 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y739 L740 K745 A746 E747 | Y739-A743 PolarHBondContact O-N 3.27Å; L740-A743 PolarHBondContact O-N 3.19Å; A743-K745 PolarHBondContact O-N 2.85Å; A743-A746 WeakPolarHBondContact O-CB 3.41Å; A743-A746 PolarHBondContact O-N 3.11Å; A743-A746 VanDerWaalsContact O-N 3.11Å; A743-E747 PolarHBondContact O-N 3.07Å |
| 744 | E | 69.9 | Low | 66.7 | Low | 121 Ų | 121 | 91.3 Ų | 91.3 | 57% | 0.565 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -59.6 | -44.8 | 175.6 | -173.5 | 175.8 | -159 | 0 | 0 | 111.3 | L740 A746 E747 E748 | L740-E744 PolarHBondContact O-N 3.34Å; E744-A746 VanDerWaalsContact C-N 3.34Å; E744-A746 PolarHBondContact O-N 3.28Å; E744-E747 PolarHBondContact O-N 3.38Å; E744-E748 WeakPolarHBondContact O-CB 3.41Å; E744-E748 PolarHBondContact O-N 3.22Å |
| 745 | K | 65.4 | Low | 66.4 | Low | 101 Ų | 101 | 88.6 Ų | 88.6 | 44% | 0.439 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -64.8 | -33.4 | 173.6 | -77.2 | 178.9 | 178.3 | -176.9 | 0 | 113.4 | N741 A743 L749 | N741-K745 WeakPolarHBondContact O-CB 3.48Å; N741-K745 VanDerWaalsContact O-CG 3.29Å; N741-K745 WeakPolarHBondContact O-CG 3.48Å; N741-K745 PolarHBondContact O-N 3.35Å; A743-K745 PolarHBondContact O-N 2.85Å; K745-L749 VanDerWaalsContact O-CB 3.32Å; K745-L749 WeakPolarHBondContact O-CB 3.45Å; K745-L749 WeakPolarHBondContact O-CD1 3.49Å; K745-L749 VanDerWaalsContact O-CG 3.23Å; K745-L749 WeakPolarHBondContact O-CG 3.42Å; K745-L749 PolarHBondContact O-N 2.93Å |
| 746 | A | 64.3 | Low | 66.3 | Low | 35 Ų | 35 | 88.4 Ų | 88.4 | 29% | 0.289 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -69.7 | -44.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | A742 A743 E744 L749 I750 | A742-A746 WeakPolarHBondContact O-CB 3.46Å; A742-A746 PolarHBondContact O-N 2.99Å; A743-A746 WeakPolarHBondContact O-CB 3.41Å; A743-A746 PolarHBondContact O-N 3.11Å; A743-A746 VanDerWaalsContact O-N 3.11Å; E744-A746 VanDerWaalsContact C-N 3.34Å; E744-A746 PolarHBondContact O-N 3.28Å; A746-L749 PolarHBondContact O-N 3.36Å; A746-I750 VanDerWaalsContact O-CG1 3.28Å; A746-I750 WeakPolarHBondContact O-CG1 3.35Å; A746-I750 PolarHBondContact O-N 3.12Å |
| 747 | E | 66 | Low | 65.8 | Low | 97 Ų | 97 | 92 Ų | 92 | 45% | 0.453 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -62.3 | -43.8 | 174.6 | -164 | -166.5 | 151.1 | 0 | 0 | 111.4 | A743 E744 L749 I750 R751 | A743-E747 PolarHBondContact O-N 3.07Å; E744-E747 PolarHBondContact O-N 3.38Å; E747-L749 PolarHBondContact O-N 3.24Å; E747-I750 PolarHBondContact O-N 2.94Å; E747-R751 WeakPolarHBondContact O-CB 3.41Å; E747-R751 WeakPolarHBondContact O-CG 3.49Å; E747-R751 PolarHBondContact O-N 3.37Å; E747-R751 IonicContact OE1-CZ 2.93Å; E747-R751 IonicContact OE1-NE 2.73Å; E747-R751 PolarHBondContact OE1-NE 2.95Å; E747-R751 IonicContact OE1-NH2 3.29Å; E747-R751 PolarHBondContact OE1-NH2 3.29Å |
| 748 | E | 70 | Confident | 65.4 | Low | 92 Ų | 92 | 90.5 Ų | 90.5 | 43% | 0.43 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.1 | -42.5 | 174.4 | -179.2 | 174.9 | -146.5 | 0 | 0 | 111.9 | E744 I750 R751 N752 | E744-E748 WeakPolarHBondContact O-CB 3.41Å; E744-E748 PolarHBondContact O-N 3.22Å; E748-I750 VanDerWaalsContact C-N 3.35Å; E748-I750 PolarHBondContact O-N 2.96Å; E748-R751 PolarHBondContact O-N 3.35Å; E748-N752 VanDerWaalsContact CG-ND2 3.3Å; E748-N752 WeakPolarHBondContact CG-ND2 3.44Å; E748-N752 VanDerWaalsContact O-CB 3.22Å; E748-N752 WeakPolarHBondContact O-CB 3.43Å; E748-N752 VanDerWaalsContact O-CG 3.27Å; E748-N752 PolarHBondContact O-N 3.03Å; E748-N752 PolarHBondContact O-ND2 3.28Å; E748-N752 VanDerWaalsContact O-ND2 3.15Å |
| 749 | L | 69.9 | Low | 65.1 | Low | 95 Ų | 95 | 88.1 Ų | 88.1 | 50% | 0.497 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 175.4 | -79.3 | 168.3 | 0 | 0 | 0 | 112.8 | K745 A746 E747 R753 | K745-L749 VanDerWaalsContact O-CB 3.32Å; K745-L749 WeakPolarHBondContact O-CB 3.45Å; K745-L749 WeakPolarHBondContact O-CD1 3.49Å; K745-L749 VanDerWaalsContact O-CG 3.23Å; K745-L749 WeakPolarHBondContact O-CG 3.42Å; K745-L749 PolarHBondContact O-N 2.93Å; A746-L749 PolarHBondContact O-N 3.36Å; E747-L749 PolarHBondContact O-N 3.24Å; L749-R753 VanDerWaalsContact O-CB 3.26Å; L749-R753 WeakPolarHBondContact O-CB 3.48Å; L749-R753 WeakPolarHBondContact O-CG 3.48Å; L749-R753 PolarHBondContact O-N 3.07Å; L749-R753 VanDerWaalsContact O-N 3.09Å |
| 750 | I | 66.8 | Low | 65.3 | Low | 29 Ų | 29 | 89 Ų | 89 | 15% | 0.149 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -67.5 | -52.8 | 174.7 | -72.1 | 166.4 | 0 | 0 | 0 | 109.6 | A746 E747 E748 N752 R753 Y754 F759 W762 | A746-I750 VanDerWaalsContact O-CG1 3.28Å; A746-I750 WeakPolarHBondContact O-CG1 3.35Å; A746-I750 PolarHBondContact O-N 3.12Å; E747-I750 PolarHBondContact O-N 2.94Å; E748-I750 VanDerWaalsContact C-N 3.35Å; E748-I750 PolarHBondContact O-N 2.96Å; I750-N752 VanDerWaalsContact C-N 3.28Å; I750-N752 PolarHBondContact O-N 3.18Å; I750-R753 PolarHBondContact O-N 3.12Å; I750-R753 VanDerWaalsContact O-N 3.13Å; I750-Y754 HydrophobicContact CG2-CD2 3.79Å; I750-Y754 HydrophobicContact CG2-CE2 4.02Å; I750-Y754 VanDerWaalsContact O-CD2 3.28Å; I750-Y754 WeakPolarHBondContact O-CD2 3.49Å; I750-Y754 PolarHBondContact O-N 3.04Å; I750-F759 HydrophobicContact CG2-CD2 4Å; I750-F759 HydrophobicContact CG2-CE2 3.86Å; I750-W762 HydrophobicContact CD1-CH2 4.06Å; I750-W762 HydrophobicContact CD1-CZ2 4.08Å; I750-W762 HydrophobicContact CG2-CE3 4.26Å; I750-W762 HydrophobicContact CG2-CH2 4.12Å; I750-W762 HydrophobicContact CG2-CZ2 4.43Å; I750-W762 HydrophobicContact CG2-CZ3 4.03Å |
| 751 | R | 67.1 | Low | 65 | Low | 139 Ų | 139 | 87.6 Ų | 87.6 | 53% | 0.525 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.7 | -35.7 | 178 | -71.4 | 178.1 | -178.4 | -87.5 | 2.8 | 112.9 | E747 E748 F759 | E747-R751 WeakPolarHBondContact O-CB 3.41Å; E747-R751 WeakPolarHBondContact O-CG 3.49Å; E747-R751 PolarHBondContact O-N 3.37Å; E747-R751 IonicContact OE1-CZ 2.93Å; E747-R751 IonicContact OE1-NE 2.73Å; E747-R751 PolarHBondContact OE1-NE 2.95Å; E747-R751 IonicContact OE1-NH2 3.29Å; E747-R751 PolarHBondContact OE1-NH2 3.29Å; E748-R751 PolarHBondContact O-N 3.35Å; R751-F759 HydrophobicContact CG-CE2 4.32Å; R751-F759 HydrophobicContact CG-CZ 4.44Å |
| 752 | N | 72.2 | Confident | 64.7 | Low | 122 Ų | 122 | 86.4 Ų | 86.4 | 65% | 0.652 | 44% | 0.436 | S | S | * | . | H | α-helix | trans | -82.1 | -18.5 | 178.3 | -73.8 | -33.3 | 0 | 0 | 0 | 114.2 | E748 I750 | E748-N752 VanDerWaalsContact CG-ND2 3.3Å; E748-N752 WeakPolarHBondContact CG-ND2 3.44Å; E748-N752 VanDerWaalsContact O-CB 3.22Å; E748-N752 WeakPolarHBondContact O-CB 3.43Å; E748-N752 VanDerWaalsContact O-CG 3.27Å; E748-N752 PolarHBondContact O-N 3.03Å; E748-N752 PolarHBondContact O-ND2 3.28Å; E748-N752 VanDerWaalsContact O-ND2 3.15Å; I750-N752 VanDerWaalsContact C-N 3.28Å; I750-N752 PolarHBondContact O-N 3.18Å |
| 753 | R | 59.8 | Low | 64.3 | Low | 158 Ų | 158 | 87.5 Ų | 87.5 | 60% | 0.596 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -91.9 | -30.9 | 177.9 | -78.1 | 178.3 | -177.5 | -138.6 | 5.1 | 113.5 | L749 I750 | L749-R753 VanDerWaalsContact O-CB 3.26Å; L749-R753 WeakPolarHBondContact O-CB 3.48Å; L749-R753 WeakPolarHBondContact O-CG 3.48Å; L749-R753 PolarHBondContact O-N 3.07Å; L749-R753 VanDerWaalsContact O-N 3.09Å; I750-R753 PolarHBondContact O-N 3.12Å; I750-R753 VanDerWaalsContact O-N 3.13Å |
| 754 | Y | 58.1 | Low | 64 | Low | 29 Ų | 29 | 87.9 Ų | 87.9 | 11% | 0.114 | 44% | 0.438 | C | S | . | . | S | Bend | trans | -103.7 | 126 | -178.3 | -59.8 | -64.6 | 0 | 0 | 0 | 111.2 | K250 I750 R758 | K250-Y754 PolarHBondContact NZ-OH 2.92Å; I750-Y754 HydrophobicContact CG2-CD2 3.79Å; I750-Y754 HydrophobicContact CG2-CE2 4.02Å; I750-Y754 VanDerWaalsContact O-CD2 3.28Å; I750-Y754 WeakPolarHBondContact O-CD2 3.49Å; I750-Y754 PolarHBondContact O-N 3.04Å; Y754-R758 HydrophobicContact CD1-CG 4.09Å |
| 755 | S | 59.6 | Low | 63.2 | Low | 68 Ų | 68 | 83.5 Ų | 83.5 | 48% | 0.476 | 43% | 0.425 | S | S | . | . | trans | -60.5 | 154.1 | 167 | 52.6 | 0 | 0 | 0 | 0 | 110.4 | N757 R758 F759 | S755-N757 VanDerWaalsContact C-N 3.35Å; S755-N757 PolarHBondContact O-N 2.94Å; S755-N757 VanDerWaalsContact O-N 3.16Å; S755-R758 CarbonylContact O-C 3.6Å; S755-R758 WeakPolarHBondContact O-CA 3.33Å; S755-R758 WeakPolarHBondContact O-CB 3.46Å; S755-R758 PolarHBondContact O-N 3.24Å; S755-F759 PolarHBondContact O-N 3.34Å | ||
| 756 | P | 62.1 | Low | 62.6 | Low | 97 Ų | 97 | 80.4 Ų | 80.4 | 63% | 0.63 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -47.9 | -50 | -172.6 | -32.3 | 36.6 | 0 | 0 | 0 | 114.5 | R758 F759 E760 | P756-R758 VanDerWaalsContact C-N 3.27Å; P756-R758 PolarHBondContact O-N 3.25Å; P756-F759 CarbonylContact O-C 3.53Å; P756-F759 WeakPolarHBondContact O-CB 3.47Å; P756-F759 PolarHBondContact O-N 3.11Å; P756-F759 VanDerWaalsContact O-N 3.11Å; P756-E760 PolarHBondContact O-N 3.04Å |
| 757 | N | 58.7 | Low | 61.7 | Low | 116 Ų | 116 | 84.9 Ų | 84.9 | 62% | 0.62 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -62.2 | -30.3 | 177.5 | -49.5 | 71.5 | 0 | 0 | 0 | 113.7 | S755 S761 | S755-N757 VanDerWaalsContact C-N 3.35Å; S755-N757 PolarHBondContact O-N 2.94Å; S755-N757 VanDerWaalsContact O-N 3.16Å; N757-S761 WeakPolarHBondContact O-CB 3.25Å; N757-S761 PolarHBondContact O-N 3.06Å; N757-S761 PolarHBondContact O-OG 3.27Å |
| 758 | R | 59.6 | Low | 60.7 | Low | 133 Ų | 133 | 84.2 Ų | 84.2 | 50% | 0.502 | 43% | 0.431 | S | S | . | . | H | α-helix | trans | -82.7 | -26.1 | 177.9 | -155.4 | 174.4 | -165.5 | -154.7 | 7.3 | 111.3 | Y754 S755 P756 W762 | Y754-R758 HydrophobicContact CD1-CG 4.09Å; S755-R758 CarbonylContact O-C 3.6Å; S755-R758 WeakPolarHBondContact O-CA 3.33Å; S755-R758 WeakPolarHBondContact O-CB 3.46Å; S755-R758 PolarHBondContact O-N 3.24Å; P756-R758 VanDerWaalsContact C-N 3.27Å; P756-R758 PolarHBondContact O-N 3.25Å; R758-W762 WeakPolarHBondContact O-CB 3.33Å; R758-W762 PolarHBondContact O-N 3.38Å; R758-W762 VanDerWaalsContact O-N 3.11Å |
| 759 | F | 64.3 | Low | 59.3 | Low | 39 Ų | 39 | 81.7 Ų | 81.7 | 17% | 0.171 | 42% | 0.423 | C | S | . | . | H | α-helix | trans | -72.8 | -43.3 | 168.6 | -179.2 | -106.1 | 0 | 0 | 0 | 111.2 | I750 R751 S755 P756 S761 W762 L763 | I750-F759 HydrophobicContact CG2-CD2 4Å; I750-F759 HydrophobicContact CG2-CE2 3.86Å; R751-F759 HydrophobicContact CG-CE2 4.32Å; R751-F759 HydrophobicContact CG-CZ 4.44Å; S755-F759 PolarHBondContact O-N 3.34Å; P756-F759 CarbonylContact O-C 3.53Å; P756-F759 WeakPolarHBondContact O-CB 3.47Å; P756-F759 PolarHBondContact O-N 3.11Å; P756-F759 VanDerWaalsContact O-N 3.11Å; F759-S761 VanDerWaalsContact C-N 3.33Å; F759-S761 PolarHBondContact O-N 2.99Å; F759-W762 HydrophobicContact CD2-CE3 4.04Å; F759-W762 HydrophobicContact CD2-CZ3 4.45Å; F759-W762 AromaticContact CE2-CE3 3.9Å; F759-W762 HydrophobicContact CE2-CE3 3.9Å; F759-W762 AromaticContact CE2-CZ3 3.87Å; F759-W762 HydrophobicContact CE2-CZ3 3.87Å; F759-W762 WeakPolarHBondContact O-CB 3.45Å; F759-W762 PolarHBondContact O-N 2.81Å; F759-W762 VanDerWaalsContact O-N 3.08Å; F759-L763 HydrophobicContact CD1-CD1 3.97Å; F759-L763 HydrophobicContact CE1-CD1 3.59Å; F759-L763 HydrophobicContact CE1-CG 4.24Å; F759-L763 HydrophobicContact CZ-CD1 4.09Å; F759-L763 HydrophobicContact CZ-CD2 4.42Å; F759-L763 HydrophobicContact CZ-CG 4.34Å; F759-L763 WeakPolarHBondContact O-CG 3.28Å; F759-L763 PolarHBondContact O-N 2.93Å |
| 760 | E | 62.7 | Low | 58 | Low | 125 Ų | 125 | 82.2 Ų | 82.2 | 58% | 0.584 | 43% | 0.427 | S | S | * | . | H | α-helix | trans | -58.2 | -43.7 | 168.4 | -72.5 | 173.9 | 163.8 | 0 | 0 | 111.5 | P756 W762 L763 A764 | P756-E760 PolarHBondContact O-N 3.04Å; E760-W762 PolarHBondContact O-N 3.03Å; E760-L763 PolarHBondContact O-N 3.21Å; E760-A764 WeakPolarHBondContact O-CB 3.28Å; E760-A764 PolarHBondContact O-N 3.17Å |
| 761 | S | 63.7 | Low | 56.7 | Low | 81 Ų | 81 | 87.8 Ų | 87.8 | 57% | 0.566 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.2 | -29 | 174.8 | -58.7 | 0 | 0 | 0 | 0 | 113 | N757 F759 G765 | N757-S761 WeakPolarHBondContact O-CB 3.25Å; N757-S761 PolarHBondContact O-N 3.06Å; N757-S761 PolarHBondContact O-OG 3.27Å; F759-S761 VanDerWaalsContact C-N 3.33Å; F759-S761 PolarHBondContact O-N 2.99Å; S761-G765 PolarHBondContact O-N 3.43Å; S761-G765 VanDerWaalsContact O-N 3.12Å |
| 762 | W | 65.1 | Low | 55.5 | Low | 52 Ų | 52 | 89.7 Ų | 89.7 | 20% | 0.197 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -79 | -38 | 176.2 | 178.5 | 81.3 | 0 | 0 | 0 | 111.6 | I750 R758 F759 E760 G765 L766 | I750-W762 HydrophobicContact CD1-CH2 4.06Å; I750-W762 HydrophobicContact CD1-CZ2 4.08Å; I750-W762 HydrophobicContact CG2-CE3 4.26Å; I750-W762 HydrophobicContact CG2-CH2 4.12Å; I750-W762 HydrophobicContact CG2-CZ2 4.43Å; I750-W762 HydrophobicContact CG2-CZ3 4.03Å; R758-W762 WeakPolarHBondContact O-CB 3.33Å; R758-W762 PolarHBondContact O-N 3.38Å; R758-W762 VanDerWaalsContact O-N 3.11Å; F759-W762 HydrophobicContact CD2-CE3 4.04Å; F759-W762 HydrophobicContact CD2-CZ3 4.45Å; F759-W762 AromaticContact CE2-CE3 3.9Å; F759-W762 HydrophobicContact CE2-CE3 3.9Å; F759-W762 AromaticContact CE2-CZ3 3.87Å; F759-W762 HydrophobicContact CE2-CZ3 3.87Å; F759-W762 WeakPolarHBondContact O-CB 3.45Å; F759-W762 PolarHBondContact O-N 2.81Å; F759-W762 VanDerWaalsContact O-N 3.08Å; E760-W762 PolarHBondContact O-N 3.03Å; W762-G765 WeakPolarHBondContact O-CA 3.35Å; W762-G765 PolarHBondContact O-N 2.95Å; W762-L766 HydrophobicContact CD2-CD1 4.26Å; W762-L766 HydrophobicContact CE3-CD1 4.04Å; W762-L766 HydrophobicContact CH2-CD1 3.86Å; W762-L766 HydrophobicContact CZ2-CD1 4.09Å; W762-L766 HydrophobicContact CZ3-CD1 3.84Å; W762-L766 PolarHBondContact O-N 3.4Å |
| 763 | L | 58.4 | Low | 53.8 | Low | 71 Ų | 71 | 90 Ų | 90 | 37% | 0.372 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -64.9 | -48.2 | 171.8 | -70.2 | 175.1 | 0 | 0 | 0 | 112.3 | F759 E760 G765 L766 E767 | F759-L763 HydrophobicContact CD1-CD1 3.97Å; F759-L763 HydrophobicContact CE1-CD1 3.59Å; F759-L763 HydrophobicContact CE1-CG 4.24Å; F759-L763 HydrophobicContact CZ-CD1 4.09Å; F759-L763 HydrophobicContact CZ-CD2 4.42Å; F759-L763 HydrophobicContact CZ-CG 4.34Å; F759-L763 WeakPolarHBondContact O-CG 3.28Å; F759-L763 PolarHBondContact O-N 2.93Å; E760-L763 PolarHBondContact O-N 3.21Å; L763-G765 PolarHBondContact O-N 3.15Å; L763-L766 HydrophobicContact CD2-CD1 4.28Å; L763-L766 WeakPolarHBondContact O-CA 3.17Å; L763-L766 WeakPolarHBondContact O-CB 3.41Å; L763-L766 PolarHBondContact O-N 3Å; L763-E767 PolarHBondContact O-N 2.91Å |
| 764 | A | 59.9 | Low | 52.5 | Low | 45 Ų | 45 | 85.9 Ų | 85.9 | 37% | 0.372 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -60.9 | -30.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | E760 V768 | E760-A764 WeakPolarHBondContact O-CB 3.28Å; E760-A764 PolarHBondContact O-N 3.17Å; A764-V768 WeakPolarHBondContact O-CB 3.33Å; A764-V768 WeakPolarHBondContact O-CG2 3.49Å; A764-V768 PolarHBondContact O-N 3.49Å |
| 765 | G | 54.1 | Low | 51.4 | Low | 29 Ų | 29 | 93.2 Ų | 93.2 | 30% | 0.299 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -62.4 | -39.7 | 169.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | S761 W762 L763 S769 | S761-G765 PolarHBondContact O-N 3.43Å; S761-G765 VanDerWaalsContact O-N 3.12Å; W762-G765 WeakPolarHBondContact O-CA 3.35Å; W762-G765 PolarHBondContact O-N 2.95Å; L763-G765 PolarHBondContact O-N 3.15Å; G765-S769 VanDerWaalsContact O-CB 3.25Å; G765-S769 WeakPolarHBondContact O-CB 3.47Å; G765-S769 PolarHBondContact O-N 3.34Å; G765-S769 PolarHBondContact O-OG 3.12Å |
| 766 | L | 53.4 | Low | 50.1 | Low | 36 Ų | 36 | 97.5 Ų | 97.5 | 19% | 0.188 | 53% | 0.528 | C | S | . | . | H | α-helix | trans | -68.1 | -42.1 | 175.5 | -73.2 | 160.2 | 0 | 0 | 0 | 111.9 | A282 W762 L763 S769 N770 | A282-L766 HydrophobicContact CB-CD2 3.79Å; W762-L766 HydrophobicContact CD2-CD1 4.26Å; W762-L766 HydrophobicContact CE3-CD1 4.04Å; W762-L766 HydrophobicContact CH2-CD1 3.86Å; W762-L766 HydrophobicContact CZ2-CD1 4.09Å; W762-L766 HydrophobicContact CZ3-CD1 3.84Å; W762-L766 PolarHBondContact O-N 3.4Å; L763-L766 HydrophobicContact CD2-CD1 4.28Å; L763-L766 WeakPolarHBondContact O-CA 3.17Å; L763-L766 WeakPolarHBondContact O-CB 3.41Å; L763-L766 PolarHBondContact O-N 3Å; L766-S769 PolarHBondContact O-N 3.28Å; L766-N770 PolarHBondContact O-N 3.14Å; L766-N770 PolarHBondContact O-ND2 3.1Å; L766-N770 VanDerWaalsContact O-ND2 3.11Å |
| 767 | E | 44.8 | Very low | 48.6 | Very low | 130 Ų | 130 | 100.3 Ų | 100.3 | 61% | 0.607 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.1 | -51.5 | 175.4 | -69.2 | 169.6 | 178.6 | 0 | 0 | 111.4 | L763 S769 N770 L771 | L763-E767 PolarHBondContact O-N 2.91Å; E767-S769 VanDerWaalsContact C-N 3.3Å; E767-S769 PolarHBondContact O-N 3.24Å; E767-N770 PolarHBondContact O-N 3.23Å; E767-L771 PolarHBondContact O-N 2.95Å; E767-L771 VanDerWaalsContact O-N 3.07Å |
| 768 | V | 45.2 | Very low | 47.4 | Very low | 83 Ų | 83 | 101.1 Ų | 101.1 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -65.4 | -31.6 | 178 | 174 | 0 | 0 | 0 | 0 | 112.3 | A764 K772 | A764-V768 WeakPolarHBondContact O-CB 3.33Å; A764-V768 WeakPolarHBondContact O-CG2 3.49Å; A764-V768 PolarHBondContact O-N 3.49Å; V768-K772 PolarHBondContact O-N 3.42Å |
| 769 | S | 41 | Very low | 46.1 | Very low | 39 Ų | 39 | 102.3 Ų | 102.3 | 27% | 0.273 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -68.4 | -40.3 | 175.9 | -63.3 | 0 | 0 | 0 | 0 | 112.3 | G765 L766 E767 K772 | G765-S769 VanDerWaalsContact O-CB 3.25Å; G765-S769 WeakPolarHBondContact O-CB 3.47Å; G765-S769 PolarHBondContact O-N 3.34Å; G765-S769 PolarHBondContact O-OG 3.12Å; L766-S769 PolarHBondContact O-N 3.28Å; E767-S769 VanDerWaalsContact C-N 3.3Å; E767-S769 PolarHBondContact O-N 3.24Å; S769-K772 PolarHBondContact O-N 3.45Å |
| 770 | N | 40.6 | Very low | 44.7 | Very low | 106 Ų | 106 | 107.3 Ų | 107.3 | 57% | 0.567 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -70 | -36.5 | 177 | -70.6 | -37.9 | 0 | 0 | 0 | 111.8 | L766 E767 K772 | L766-N770 PolarHBondContact O-N 3.14Å; L766-N770 PolarHBondContact O-ND2 3.1Å; L766-N770 VanDerWaalsContact O-ND2 3.11Å; E767-N770 PolarHBondContact O-N 3.23Å; N770-K772 PolarHBondContact O-N 3.36Å |
| 771 | L | 41 | Very low | 43.4 | Very low | 145 Ų | 145 | 107.8 Ų | 107.8 | 76% | 0.759 | 59% | 0.594 | S | S | * | * | H | α-helix | trans | -64.8 | -21.3 | 173.6 | -88.7 | 159.4 | 0 | 0 | 0 | 114.1 | E767 | E767-L771 PolarHBondContact O-N 2.95Å; E767-L771 VanDerWaalsContact O-N 3.07Å |
| 772 | K | 41.6 | Very low | 41.9 | Very low | 180 Ų | 180 | 109.9 Ų | 109.9 | 78% | 0.783 | 60% | 0.599 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 8.8 | -177.6 | -95.6 | -166.4 | 168.5 | -163.1 | 0 | 115.9 | V768 S769 N770 | V768-K772 PolarHBondContact O-N 3.42Å; S769-K772 PolarHBondContact O-N 3.45Å; N770-K772 PolarHBondContact O-N 3.36Å |
| 773 | L | 36.5 | Very low | 40.4 | Very low | 129 Ų | 129 | 114 Ų | 114 | 68% | 0.675 | 62% | 0.624 | S | S | * | * | S | Bend | trans | -109.3 | 14.4 | -176.5 | -106.3 | 154.1 | 0 | 0 | 0 | 113.9 | ||
| 774 | G | 33 | Very low | 39.2 | Very low | 70 Ų | 70 | 118 Ų | 118 | 72% | 0.722 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -121.9 | -24.6 | -178 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 775 | E | 34.6 | Very low | 37.9 | Very low | 184 Ų | 184 | 123.2 Ų | 123.2 | 86% | 0.86 | 67% | 0.667 | S | S | * | * | trans | -133.2 | 88.9 | -171.4 | -65.7 | -168.9 | 149 | 0 | 0 | 112.6 | ||||
| 776 | D | 31.3 | Very low | 36.9 | Very low | 158 Ų | 158 | 128.7 Ų | 128.7 | 85% | 0.845 | 69% | 0.694 | S | S | * | * | trans | -165.3 | 81.4 | 158.5 | -114.6 | -26.9 | 0 | 0 | 0 | 110.2 | ||||
| 777 | N | 31.3 | Very low | 35.8 | Very low | 155 Ų | 155 | 133.1 Ų | 133.1 | 83% | 0.829 | 72% | 0.718 | S | S | * | * | trans | -177.5 | 151.5 | 146 | -96.4 | -42.1 | 0 | 0 | 0 | 112.7 | ||||
| 778 | D | 33.6 | Very low | 35.3 | Very low | 133 Ų | 133 | 135 Ų | 135 | 71% | 0.711 | 73% | 0.732 | S | S | * | * | trans | 51.2 | 88.9 | 161.8 | -61.3 | -29.9 | 0 | 0 | 0 | 118.9 | ||||
| 779 | N | 32.8 | Very low | 34.6 | Very low | 159 Ų | 159 | 136 Ų | 136 | 85% | 0.85 | 74% | 0.738 | S | S | * | * | -160.6 | 119.1 | 94.1 | -103.8 | -74.6 | 0 | 0 | 0 | 113.4 | |||||
| 780 | N | 34.1 | Very low | 34.1 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | trans | -72.5 | 129 | 160.8 | -85.7 | -72 | 0 | 0 | 0 | 109.6 | ||||
| 781 | N | 34.6 | Very low | 34 | Very low | 135 Ų | 135 | 145.4 Ų | 145.4 | 72% | 0.722 | 78% | 0.776 | S | S | * | * | -174.6 | 118.6 | 127.9 | -96.9 | -48.5 | 0 | 0 | 0 | 114.3 | |||||
| 782 | N | 33.3 | Very low | 33.6 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 67% | 0.668 | 78% | 0.779 | S | S | * | * | trans | 70.2 | 117.9 | 134.8 | -60.1 | -26.4 | 0 | 0 | 0 | 122.5 | ||||
| 783 | N | 33.8 | Very low | 33.2 | Very low | 137 Ų | 137 | 146 Ų | 146 | 73% | 0.733 | 78% | 0.782 | S | S | * | * | trans | 79.1 | 97.3 | 135.2 | -56.3 | -16.2 | 0 | 0 | 0 | 120 | ||||
| 784 | N | 33.7 | Very low | 33 | Very low | 155 Ų | 155 | 147.4 Ų | 147.4 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | 170.7 | 91.8 | 122.9 | -83.1 | -30.2 | 0 | 0 | 0 | 108.4 | |||||
| 785 | L | 30.8 | Very low | 33 | Very low | 156 Ų | 156 | 149.6 Ų | 149.6 | 82% | 0.817 | 79% | 0.788 | S | S | * | * | 60 | 80.2 | 74.9 | -166.8 | 78.6 | 0 | 0 | 0 | 114.9 | |||||
| 786 | V | 34.5 | Very low | 33 | Very low | 143 Ų | 143 | 150.4 Ų | 150.4 | 87% | 0.867 | 79% | 0.789 | S | S | * | * | trans | -142 | 113.5 | 147.1 | -179.6 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 787 | D | 29.5 | Very low | 33 | Very low | 130 Ų | 130 | 151.7 Ų | 151.7 | 70% | 0.695 | 79% | 0.787 | S | S | * | * | trans | -73.7 | 148.6 | 163.8 | -94.7 | -59.8 | 0 | 0 | 0 | 111 | ||||
| 788 | L | 33.5 | Very low | 33.2 | Very low | 169 Ų | 169 | 152.1 Ų | 152.1 | 89% | 0.885 | 79% | 0.789 | S | S | * | * | 179.8 | 160.3 | 117.2 | -97.7 | 158.5 | 0 | 0 | 0 | 113.9 | |||||
| 789 | T | 31.3 | Very low | 33.2 | Very low | 105 Ų | 105 | 153.6 Ų | 153.6 | 64% | 0.644 | 79% | 0.792 | S | S | * | * | trans | -120.3 | 164.3 | -166.8 | 61.6 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 790 | N | 31.4 | Very low | 33.2 | Very low | 143 Ų | 143 | 152.4 Ų | 152.4 | 77% | 0.765 | 79% | 0.785 | S | S | * | * | trans | 68.3 | 114.3 | 151.1 | -68.4 | -53 | 0 | 0 | 0 | 121.4 | ||||
| 791 | K | 37.2 | Very low | 33.1 | Very low | 199 Ų | 199 | 152.2 Ų | 152.2 | 87% | 0.865 | 79% | 0.785 | S | S | * | * | trans | -164.8 | 108 | 142.1 | -99.2 | 154.1 | -173.8 | 174.3 | 0 | 107.1 | ||||
| 792 | Q | 33.5 | Very low | 32.8 | Very low | 175 Ų | 175 | 153.5 Ų | 153.5 | 82% | 0.818 | 79% | 0.792 | S | S | * | * | 80.6 | 140.3 | 71.2 | -75.2 | -165.6 | 1.2 | 0 | 0 | 115.6 | |||||
| 793 | L | 33.5 | Very low | 32.7 | Very low | 162 Ų | 162 | 152.3 Ų | 152.3 | 85% | 0.848 | 80% | 0.799 | S | S | * | * | trans | 75.1 | 111.4 | -168.6 | -70.2 | 82.5 | 0 | 0 | 0 | 114.5 | ||||
| 794 | L | 30.8 | Very low | 32.3 | Very low | 158 Ų | 158 | 156.9 Ų | 156.9 | 83% | 0.827 | 81% | 0.807 | S | S | * | * | cis | 78 | 115.5 | 20.1 | -155.8 | 91.8 | 0 | 0 | 0 | 115.7 | ||||
| 795 | V | 33.8 | Very low | 32.2 | Very low | 116 Ų | 116 | 156.5 Ų | 156.5 | 70% | 0.703 | 81% | 0.805 | S | S | * | * | 169.9 | 130.4 | 126.6 | 151.6 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 796 | K | 34.1 | Very low | 32.1 | Very low | 201 Ų | 201 | 153.2 Ų | 153.2 | 87% | 0.874 | 80% | 0.796 | S | S | * | * | trans | 67.6 | 120.1 | 159.2 | -78.7 | 165.8 | -173.4 | 173.8 | 0 | 122.7 | ||||
| 797 | K | 32.5 | Very low | 31.9 | Very low | 185 Ų | 185 | 153.3 Ų | 153.3 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -71.3 | 156.6 | 155.8 | -60.1 | 169.1 | 175.5 | 173.4 | 0 | 111.8 | ||||
| 798 | N | 33.9 | Very low | 32 | Very low | 164 Ų | 164 | 151.6 Ų | 151.6 | 88% | 0.877 | 80% | 0.799 | S | S | * | * | -161 | 172.8 | 126.1 | -107.9 | -8.4 | 0 | 0 | 0 | 111.9 | |||||
| 799 | Q | 34.9 | Very low | 32 | Very low | 164 Ų | 164 | 150.4 Ų | 150.4 | 77% | 0.766 | 79% | 0.793 | S | S | * | * | trans | -105.1 | 164 | -158.3 | -55.5 | 171.8 | -73.3 | 0 | 0 | 115.2 | ||||
| 800 | N | 32.4 | Very low | 32.1 | Very low | 134 Ų | 134 | 153 Ų | 153 | 72% | 0.717 | 80% | 0.796 | S | S | * | * | trans | 100.5 | 126.3 | 152.9 | -56.5 | -28.3 | 0 | 0 | 0 | 119.6 | ||||
| 801 | N | 32.5 | Very low | 32.2 | Very low | 141 Ų | 141 | 152.9 Ų | 152.9 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | trans | 75 | 95.2 | 147.3 | -58.1 | -7.9 | 0 | 0 | 0 | 120.5 | ||||
| 802 | N | 28.7 | Very low | 32.1 | Very low | 162 Ų | 162 | 150 Ų | 150 | 87% | 0.866 | 79% | 0.786 | S | S | * | * | 41.3 | 102.3 | 127.5 | -56 | 12.3 | 0 | 0 | 0 | 119.8 | |||||
| 803 | A | 29.9 | Very low | 32.1 | Very low | 100 Ų | 100 | 149.2 Ų | 149.2 | 83% | 0.826 | 79% | 0.788 | S | S | * | * | trans | -151.9 | 156.6 | 132.8 | 0 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 804 | Y | 26.5 | Very low | 32.1 | Very low | 232 Ų | 232 | 150 Ų | 150 | 91% | 0.91 | 79% | 0.792 | S | S | * | * | trans | -68.3 | 142.8 | 167.3 | -79.4 | -118.5 | 0 | 0 | 0 | 109.6 | ||||
| 805 | D | 30.7 | Very low | 32.4 | Very low | 147 Ų | 147 | 150.4 Ų | 150.4 | 79% | 0.786 | 80% | 0.795 | S | S | * | * | -160.7 | 166.7 | 116.3 | -132.4 | -53.9 | 0 | 0 | 0 | 113.1 | |||||
| 806 | S | 28.6 | Very low | 32.5 | Very low | 87 Ų | 87 | 147.5 Ų | 147.5 | 61% | 0.608 | 79% | 0.788 | S | S | * | * | trans | -23.4 | 143.3 | 171.4 | 36.9 | 0 | 0 | 0 | 0 | 120 | ||||
| 807 | C | 30.5 | Very low | 32.6 | Very low | 145 Ų | 145 | 147 Ų | 147 | 98% | 0.98 | 79% | 0.786 | S | S | * | * | trans | -95.3 | 101.6 | 159.1 | -77.4 | 0 | 0 | 0 | 0 | 110 | ||||
| 808 | S | 31.4 | Very low | 32.7 | Very low | 94 Ų | 94 | 145.2 Ų | 145.2 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -139 | 102.4 | 172.9 | 43.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 809 | L | 33 | Very low | 32.7 | Very low | 144 Ų | 144 | 146.8 Ų | 146.8 | 75% | 0.754 | 79% | 0.787 | S | S | * | * | trans | -153.4 | 135.5 | 176.5 | -66.1 | 178.3 | 0 | 0 | 0 | 105.6 | ||||
| 810 | F | 34 | Very low | 32.7 | Very low | 160 Ų | 160 | 148.1 Ų | 148.1 | 70% | 0.702 | 79% | 0.791 | S | S | * | * | cis | -148.9 | 170.9 | 13.8 | -91.7 | -59.8 | 0 | 0 | 0 | 108.1 | ||||
| 811 | M | 33.9 | Very low | 32.7 | Very low | 140 Ų | 140 | 152.8 Ų | 152.8 | 69% | 0.69 | 80% | 0.798 | S | S | * | * | cis | -156.9 | 174.7 | 8.5 | -132.5 | -34.7 | 178.8 | 0 | 0 | 110.8 | ||||
| 812 | N | 34.3 | Very low | 32.7 | Very low | 139 Ų | 139 | 151.9 Ų | 151.9 | 74% | 0.743 | 80% | 0.798 | S | S | * | * | trans | 75.2 | 87.9 | 158.6 | -57 | -19.6 | 0 | 0 | 0 | 118.8 | ||||
| 813 | D | 33.6 | Very low | 32.8 | Very low | 159 Ų | 159 | 149.1 Ų | 149.1 | 85% | 0.85 | 79% | 0.79 | S | S | * | * | trans | -58.8 | 149.8 | 144 | -52.1 | -83 | 0 | 0 | 0 | 111.3 | ||||
| 814 | L | 34.9 | Very low | 33.1 | Very low | 177 Ų | 177 | 151.7 Ų | 151.7 | 93% | 0.927 | 79% | 0.785 | S | S | * | * | -168.1 | 129.4 | 126.1 | -105.6 | 166.9 | 0 | 0 | 0 | 111.2 | |||||
| 815 | D | 36.1 | Very low | 33.4 | Very low | 167 Ų | 167 | 146.6 Ų | 146.6 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -95.2 | 146 | -177 | 178.7 | 25 | 0 | 0 | 0 | 111.9 | ||||
| 816 | G | 34.9 | Very low | 33.7 | Very low | 55 Ų | 55 | 146 Ų | 146 | 57% | 0.567 | 77% | 0.771 | S | S | * | * | trans | 130.6 | 102.3 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 817 | K | 37.3 | Very low | 34 | Very low | 191 Ų | 191 | 148 Ų | 148 | 83% | 0.83 | 77% | 0.774 | S | S | * | * | trans | 74.7 | 129.6 | 139.4 | -58.9 | 177.9 | -179.7 | 176.5 | 0 | 121.8 | ||||
| 818 | D | 33.7 | Very low | 34.2 | Very low | 147 Ų | 147 | 148.2 Ų | 148.2 | 79% | 0.786 | 77% | 0.766 | S | S | * | * | 25.7 | 112.3 | 128.5 | -47.3 | -47.1 | 0 | 0 | 0 | 119.5 | |||||
| 819 | E | 35.6 | Very low | 34.3 | Very low | 197 Ų | 197 | 152.1 Ų | 152.1 | 92% | 0.921 | 78% | 0.778 | S | S | * | * | -170.7 | 172.7 | 99.1 | -105.1 | -165.6 | 170.1 | 0 | 0 | 113.4 | |||||
| 820 | K | 33.6 | Very low | 34 | Very low | 192 Ų | 192 | 150.8 Ų | 150.8 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -97.2 | 135.9 | -174.8 | -59.8 | 167 | 179.4 | 171.6 | 0 | 112.6 | ||||
| 821 | R | 33.9 | Very low | 33.9 | Very low | 232 Ų | 232 | 148.7 Ų | 148.7 | 88% | 0.875 | 78% | 0.784 | S | S | * | * | trans | 178.7 | 109.1 | 143.2 | -95.5 | 145.1 | -162.5 | -149.9 | 6.6 | 109.3 | ||||
| 822 | T | 31.1 | Very low | 33.7 | Very low | 122 Ų | 122 | 149.9 Ų | 149.9 | 75% | 0.748 | 79% | 0.792 | S | S | * | * | 70.2 | 125.9 | 81.1 | 60.8 | 0 | 0 | 0 | 0 | 116 | |||||
| 823 | C | 31.3 | Very low | 33.6 | Very low | 105 Ų | 105 | 152.1 Ų | 152.1 | 71% | 0.709 | 80% | 0.798 | S | S | * | * | trans | 81.6 | 101 | 156 | -64.7 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 824 | Q | 35.7 | Very low | 33.5 | Very low | 154 Ų | 154 | 152.3 Ų | 152.3 | 72% | 0.72 | 80% | 0.799 | S | S | * | * | 78.6 | 115.1 | 115.8 | -73.8 | -176.6 | -99.9 | 0 | 0 | 121.8 | |||||
| 825 | D | 33.5 | Very low | 33.2 | Very low | 124 Ų | 124 | 148.5 Ų | 148.5 | 66% | 0.663 | 79% | 0.787 | S | S | * | * | 81.6 | 150.6 | 122.7 | -51 | -15 | 0 | 0 | 0 | 121.6 | |||||
| 826 | D | 37.6 | Very low | 32.9 | Very low | 135 Ų | 135 | 148.8 Ų | 148.8 | 72% | 0.722 | 78% | 0.783 | S | S | * | * | trans | 77.1 | 79.8 | 163.4 | -65 | -28.2 | 0 | 0 | 0 | 122.3 | ||||
| 827 | N | 34.8 | Very low | 32.8 | Very low | 129 Ų | 129 | 155 Ų | 155 | 69% | 0.69 | 80% | 0.797 | S | S | * | * | 89.1 | 148.4 | 118.2 | -56.3 | -40.1 | 0 | 0 | 0 | 123.2 | |||||
| 828 | D | 33.1 | Very low | 32.6 | Very low | 150 Ų | 150 | 149 Ų | 149 | 80% | 0.802 | 78% | 0.777 | S | S | * | * | trans | 60.7 | 78 | 152.9 | -58.9 | -15.7 | 0 | 0 | 0 | 120.8 | ||||
| 829 | L | 34 | Very low | 32.6 | Very low | 175 Ų | 175 | 148.2 Ų | 148.2 | 92% | 0.916 | 77% | 0.772 | S | S | * | * | trans | -153.4 | 119.7 | 144.6 | -103.9 | 139.6 | 0 | 0 | 0 | 110.8 | ||||
| 830 | S | 27.9 | Very low | 32.5 | Very low | 117 Ų | 117 | 146.6 Ų | 146.6 | 82% | 0.818 | 77% | 0.769 | S | S | * | * | trans | -92 | 135.1 | 176.5 | -50.2 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 831 | P | 30.6 | Very low | 32.6 | Very low | 116 Ų | 116 | 143.4 Ų | 143.4 | 75% | 0.753 | 76% | 0.762 | S | S | * | * | -116.4 | 150.7 | 114.4 | -2.7 | 23.3 | 0 | 0 | 0 | 109.7 | |||||
| 832 | L | 29.9 | Very low | 32.6 | Very low | 165 Ų | 165 | 138.8 Ų | 138.8 | 86% | 0.864 | 75% | 0.748 | S | S | * | * | 70.4 | 67.7 | 50.2 | -165 | 79 | 0 | 0 | 0 | 113.3 | |||||
| 833 | E | 31.8 | Very low | 32.8 | Very low | 186 Ų | 186 | 141.4 Ų | 141.4 | 87% | 0.869 | 74% | 0.744 | S | S | * | * | trans | -162.6 | 172.7 | 158.3 | -112.8 | 154.8 | -161.8 | 0 | 0 | 109.8 | ||||
| 834 | D | 31.3 | Very low | 33 | Very low | 163 Ų | 163 | 143.7 Ų | 143.7 | 87% | 0.872 | 75% | 0.749 | S | S | * | * | trans | 56 | 83 | 175.9 | -65.6 | -15.5 | 0 | 0 | 0 | 119.2 | ||||
| 835 | S | 29.6 | Very low | 33.1 | Very low | 96 Ų | 96 | 142 Ų | 142 | 67% | 0.671 | 75% | 0.745 | S | S | * | * | trans | -137 | 24.1 | 168.8 | 67 | 0 | 0 | 0 | 0 | 116 | ||||
| 836 | H | 28.9 | Very low | 33 | Very low | 173 Ų | 173 | 143.5 Ų | 143.5 | 80% | 0.801 | 74% | 0.743 | S | S | * | * | trans | -131.2 | 32.6 | -170.1 | -75.7 | -61.9 | 0 | 0 | 0 | 118.1 | ||||
| 837 | E | 33.3 | Very low | 32.7 | Very low | 185 Ų | 185 | 144.1 Ų | 144.1 | 86% | 0.864 | 74% | 0.742 | S | S | * | * | trans | -107.6 | 40.7 | 166.7 | -67 | -153.8 | 123.2 | 0 | 0 | 118.5 | ||||
| 838 | P | 33.3 | Very low | 32.5 | Very low | 65 Ų | 65 | 141.9 Ų | 141.9 | 42% | 0.422 | 74% | 0.741 | S | S | . | * | trans | -76.6 | -35 | 175.8 | -14.4 | 29.9 | 0 | 0 | 0 | 115.1 | L840 N841 F842 | P838-L840 PolarHBondContact O-N 3.03Å; P838-N841 PolarHBondContact O-N 3.34Å; P838-F842 HydrophobicContact CB-CD2 4.49Å; P838-F842 HydrophobicContact CB-CE2 4.23Å; P838-F842 VanDerWaalsContact O-CD2 3.27Å; P838-F842 WeakPolarHBondContact O-CD2 3.29Å | ||
| 839 | L | 33.9 | Very low | 32.2 | Very low | 131 Ų | 131 | 140 Ų | 140 | 69% | 0.686 | 74% | 0.739 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.5 | -28.8 | -149.7 | -83.9 | 165.8 | 0 | 0 | 0 | 116.4 | ||
| 840 | L | 33.3 | Very low | 31.9 | Very low | 163 Ų | 163 | 138.1 Ų | 138.1 | 85% | 0.853 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -29 | 178.9 | -97 | 71.6 | 0 | 0 | 0 | 113.3 | P838 | P838-L840 PolarHBondContact O-N 3.03Š|
| 841 | N | 35.4 | Very low | 31.9 | Very low | 126 Ų | 126 | 139.3 Ų | 139.3 | 67% | 0.674 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.6 | -17.9 | -169.7 | -71.4 | -42.7 | 0 | 0 | 0 | 114.3 | P838 | P838-N841 PolarHBondContact O-N 3.34Š|
| 842 | F | 34.8 | Very low | 31.8 | Very low | 135 Ų | 135 | 139.2 Ų | 139.2 | 59% | 0.592 | 72% | 0.719 | S | S | * | * | S | Bend | trans | -81.1 | -17.1 | -174.4 | -85.7 | -113.1 | 0 | 0 | 0 | 114.6 | P838 | P838-F842 HydrophobicContact CB-CD2 4.49Å; P838-F842 HydrophobicContact CB-CE2 4.23Å; P838-F842 VanDerWaalsContact O-CD2 3.27Å; P838-F842 WeakPolarHBondContact O-CD2 3.29Å |
| 843 | W | 35.5 | Very low | 31.7 | Very low | 176 Ų | 176 | 138 Ų | 138 | 67% | 0.667 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -76 | -24.4 | -175.7 | -81.2 | 70.7 | 0 | 0 | 0 | 114.1 | ||
| 844 | D | 34.8 | Very low | 31.7 | Very low | 153 Ų | 153 | 135.1 Ų | 135.1 | 82% | 0.818 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -84.8 | -27.3 | -174.1 | -101.5 | -10.1 | 0 | 0 | 0 | 114.5 | ||
| 845 | D | 37.2 | Very low | 31.6 | Very low | 119 Ų | 119 | 132.4 Ų | 132.4 | 64% | 0.636 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -87.3 | -8.1 | -176.8 | -100.6 | -32.9 | 0 | 0 | 0 | 114.3 | Q847 K1059 | D845-Q847 VanDerWaalsContact C-N 3.31Å; D845-Q847 PolarHBondContact O-N 3.43Å; D845-K1059 IonicContact OD1-NZ 3.31Å; D845-K1059 PolarHBondContact OD1-NZ 2.96Å; D845-K1059 IonicContact OD2-NZ 3.33Å |
| 846 | Y | 32.9 | Very low | 31.8 | Very low | 156 Ų | 156 | 136.1 Ų | 136.1 | 61% | 0.612 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.2 | 5.8 | -178.4 | -103 | -88.9 | 0 | 0 | 0 | 115.9 | M214 | M214-Y846 HydrophobicContact CE-CE2 4.13Å; M214-Y846 PolarHBondContact SD-OH 3Å |
| 847 | Q | 30.9 | Very low | 32 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 69% | 0.692 | 71% | 0.714 | S | S | * | * | trans | -107.8 | 53.5 | -175.9 | -71.8 | -159.9 | 15.9 | 0 | 0 | 116.6 | D845 R1052 | D845-Q847 VanDerWaalsContact C-N 3.31Å; D845-Q847 PolarHBondContact O-N 3.43Å; Q847-R1052 VanDerWaalsContact OE1-NH2 3.07Å | ||
| 848 | A | 29.6 | Very low | 31.9 | Very low | 82 Ų | 82 | 132.2 Ų | 132.2 | 68% | 0.678 | 71% | 0.713 | S | S | * | * | trans | -160.8 | 148 | 156.9 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 849 | S | 27.4 | Very low | 31.7 | Very low | 110 Ų | 110 | 133.5 Ų | 133.5 | 77% | 0.769 | 73% | 0.729 | S | S | * | * | cis | -152 | 149.7 | 9.9 | -50.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 850 | L | 27.4 | Very low | 31.6 | Very low | 136 Ų | 136 | 138.6 Ų | 138.6 | 71% | 0.712 | 74% | 0.741 | S | S | * | * | trans | -175.9 | 168.7 | 141 | -105 | 165.7 | 0 | 0 | 0 | 111.3 | ||||
| 851 | Y | 28.4 | Very low | 31.3 | Very low | 141 Ų | 141 | 139.5 Ų | 139.5 | 55% | 0.553 | 74% | 0.741 | S | S | * | * | trans | 58.8 | 105.2 | 176.9 | -55.2 | -73 | 0 | 0 | 0 | 117.9 | T311 | T311-Y851 HydrophobicContact CG2-CE1 4.26Å; T311-Y851 PolarHBondContact OG1-OH 3.2Å | ||
| 852 | S | 28.2 | Very low | 31.1 | Very low | 115 Ų | 115 | 138.8 Ų | 138.8 | 80% | 0.804 | 74% | 0.743 | S | S | * | * | trans | -135.9 | 118.7 | 157.7 | -75.5 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 853 | N | 27.3 | Very low | 30.9 | Very low | 140 Ų | 140 | 138.3 Ų | 138.3 | 75% | 0.749 | 75% | 0.754 | S | S | * | * | trans | 51.2 | 109.7 | 162.7 | -53.7 | -24 | 0 | 0 | 0 | 119 | ||||
| 854 | S | 32.4 | Very low | 30.5 | Very low | 125 Ų | 125 | 135.8 Ų | 135.8 | 87% | 0.874 | 76% | 0.763 | S | S | * | * | -132 | 171.1 | 114.8 | 74.7 | 0 | 0 | 0 | 0 | 108.8 | |||||
| 855 | S | 29 | Very low | 30.2 | Very low | 105 Ų | 105 | 136 Ų | 136 | 73% | 0.734 | 76% | 0.76 | S | S | * | * | trans | -157.9 | 110.7 | -179.8 | 57.2 | 0 | 0 | 0 | 0 | 111 | ||||
| 856 | D | 34.9 | Very low | 30 | Very low | 174 Ų | 174 | 141 Ų | 141 | 93% | 0.93 | 77% | 0.772 | S | S | * | * | trans | -149.2 | 176.8 | 162.8 | -98.3 | -47.1 | 0 | 0 | 0 | 109.9 | ||||
| 857 | S | 31.9 | Very low | 29.8 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 78% | 0.782 | S | S | * | * | trans | -126.9 | 162 | -148.1 | 67.7 | 0 | 0 | 0 | 0 | 117 | ||||
| 858 | Q | 31.9 | Very low | 30.1 | Very low | 180 Ų | 180 | 140.2 Ų | 140.2 | 84% | 0.841 | 79% | 0.791 | S | S | * | * | trans | 85.3 | 98.2 | 164 | -60.5 | -175 | -33.2 | 0 | 0 | 118.1 | ||||
| 859 | A | 29.1 | Very low | 30.2 | Very low | 92 Ų | 92 | 145.4 Ų | 145.4 | 76% | 0.76 | 80% | 0.801 | S | S | * | * | 38 | 124.2 | 129.7 | 0 | 0 | 0 | 0 | 0 | 120.7 | |||||
| 860 | Y | 32 | Very low | 30.5 | Very low | 238 Ų | 238 | 148.3 Ų | 148.3 | 93% | 0.933 | 80% | 0.8 | S | S | * | * | -155.7 | 157.9 | 100.4 | -114 | -84.8 | 0 | 0 | 0 | 109.8 | |||||
| 861 | E | 27.2 | Very low | 31.2 | Very low | 181 Ų | 181 | 145.6 Ų | 145.6 | 85% | 0.846 | 79% | 0.791 | S | S | * | * | trans | -106.1 | 124.1 | -178.6 | -173.7 | 173.1 | -128.8 | 0 | 0 | 110.2 | ||||
| 862 | P | 30 | Very low | 31.9 | Very low | 111 Ų | 111 | 145.8 Ų | 145.8 | 72% | 0.721 | 79% | 0.791 | S | S | * | * | trans | -86.5 | 154.5 | 174.4 | 34 | -32.8 | 0 | 0 | 0 | 112 | ||||
| 863 | P | 31.7 | Very low | 32.3 | Very low | 126 Ų | 126 | 147.5 Ų | 147.5 | 82% | 0.818 | 79% | 0.791 | S | S | * | * | trans | -81.1 | 155.8 | -160.3 | -14.4 | 31.6 | 0 | 0 | 0 | 115.3 | M865 | P863-M865 PolarHBondContact O-N 3.36Š| ||
| 864 | S | 26.6 | Very low | 32.9 | Very low | 123 Ų | 123 | 148 Ų | 148 | 86% | 0.86 | 79% | 0.793 | S | S | * | * | trans | -73.7 | 109.9 | 171.2 | 44.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 865 | M | 27.6 | Very low | 33 | Very low | 156 Ų | 156 | 147.2 Ų | 147.2 | 77% | 0.768 | 78% | 0.783 | S | S | * | * | trans | -140.7 | 116.4 | 153.5 | -70.6 | -160 | -51.8 | 0 | 0 | 109.6 | P863 | P863-M865 PolarHBondContact O-N 3.36Š| ||
| 866 | Y | 33.7 | Very low | 33 | Very low | 225 Ų | 225 | 144.4 Ų | 144.4 | 88% | 0.882 | 77% | 0.771 | S | S | * | * | trans | 167.8 | 94.3 | 132.7 | -92.1 | -63.3 | 0 | 0 | 0 | 107.5 | ||||
| 867 | A | 29.7 | Very low | 32.8 | Very low | 99 Ų | 99 | 140.9 Ų | 140.9 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -91.2 | 134.7 | 161.2 | 0 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 868 | E | 36 | Very low | 32.7 | Very low | 188 Ų | 188 | 139.8 Ų | 139.8 | 88% | 0.879 | 75% | 0.751 | S | S | * | * | trans | -147.1 | 124.7 | 159.2 | -155 | 160.3 | -137.1 | 0 | 0 | 108 | F870 | E868-F870 PolarHBondContact O-N 2.73Š| ||
| 869 | E | 31.6 | Very low | 32.8 | Very low | 191 Ų | 191 | 139 Ų | 139 | 89% | 0.893 | 75% | 0.745 | S | S | * | * | trans | -83.9 | 109.4 | -169.9 | -64.9 | 170.9 | 126.4 | 0 | 0 | 109.5 | ||||
| 870 | F | 34.7 | Very low | 33.2 | Very low | 171 Ų | 171 | 141.1 Ų | 141.1 | 75% | 0.75 | 74% | 0.737 | S | S | * | * | trans | -96.1 | 114.3 | 173.7 | -133 | -85.6 | 0 | 0 | 0 | 110 | E868 W872 | E868-F870 PolarHBondContact O-N 2.73Å; F870-W872 PolarHBondContact O-N 2.94Å; F870-W872 VanDerWaalsContact O-N 3.13Å | ||
| 871 | P | 42.2 | Very low | 33.4 | Very low | 80 Ų | 80 | 133.9 Ų | 133.9 | 52% | 0.519 | 72% | 0.718 | S | S | . | * | trans | -71.9 | 108.2 | -177.6 | 28.3 | -33.4 | 0 | 0 | 0 | 110.2 | D873 | P871-D873 VanDerWaalsContact C-N 3.3Š| ||
| 872 | W | 41.7 | Very low | 33.8 | Very low | 144 Ų | 144 | 128.7 Ų | 128.7 | 55% | 0.545 | 70% | 0.696 | S | S | . | * | trans | -84.1 | -6.1 | 176.7 | -76.5 | 92.7 | 0 | 0 | 0 | 113.5 | F870 V875 | F870-W872 PolarHBondContact O-N 2.94Å; F870-W872 VanDerWaalsContact O-N 3.13Å; W872-V875 HydrophobicContact CE3-CG2 4.02Å; W872-V875 HydrophobicContact CZ3-CG2 4.5Å; W872-V875 PolarHBondContact O-N 3.36Å | ||
| 873 | D | 37.2 | Very low | 34.2 | Very low | 152 Ų | 152 | 127.4 Ų | 127.4 | 81% | 0.813 | 68% | 0.682 | S | S | * | * | G | 310 helix | trans | -74.3 | -26.8 | -175.7 | -58.7 | -47.4 | 0 | 0 | 0 | 112.6 | P871 V875 G876 | P871-D873 VanDerWaalsContact C-N 3.3Å; D873-V875 PolarHBondContact O-N 2.75Å; D873-G876 PolarHBondContact O-N 2.95Å |
| 874 | D | 39.4 | Very low | 34.5 | Very low | 149 Ų | 149 | 127.5 Ų | 127.5 | 80% | 0.797 | 67% | 0.672 | S | S | * | * | G | 310 helix | trans | -73.1 | 0.6 | 172.8 | -83.2 | -25 | 0 | 0 | 0 | 114 | ||
| 875 | V | 36 | Very low | 35.1 | Very low | 109 Ų | 109 | 130.2 Ų | 130.2 | 66% | 0.661 | 66% | 0.663 | S | S | * | * | G | 310 helix | trans | -99.8 | 13.3 | 176.8 | -152.4 | 0 | 0 | 0 | 0 | 112.1 | W872 D873 | W872-V875 HydrophobicContact CE3-CG2 4.02Å; W872-V875 HydrophobicContact CZ3-CG2 4.5Å; W872-V875 PolarHBondContact O-N 3.36Å; D873-V875 PolarHBondContact O-N 2.75Å |
| 876 | G | 27.6 | Very low | 35.6 | Very low | 46 Ų | 46 | 129.9 Ų | 129.9 | 47% | 0.474 | 66% | 0.66 | S | S | . | * | trans | -82.2 | 143.6 | 168 | 0 | 0 | 0 | 0 | 0 | 112.9 | D873 | D873-G876 PolarHBondContact O-N 2.95Š| ||
| 877 | S | 31.3 | Very low | 36 | Very low | 100 Ų | 100 | 125.2 Ų | 125.2 | 70% | 0.699 | 65% | 0.649 | S | S | * | * | trans | 35.1 | 102.8 | 164.1 | 54.9 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 878 | P | 29.8 | Very low | 36.5 | Very low | 75 Ų | 75 | 126.9 Ų | 126.9 | 49% | 0.487 | 64% | 0.644 | S | S | . | * | S | Bend | -120.5 | -35.3 | 102.2 | -8.5 | 26.9 | 0 | 0 | 0 | 115.1 | F880 T881 | P878-F880 VanDerWaalsContact C-N 3.27Å; P878-F880 PolarHBondContact O-N 3.46Å; P878-T881 PolarHBondContact O-N 2.89Å; P878-T881 VanDerWaalsContact O-N 3.12Å; P878-T881 PolarHBondContact O-OG1 2.96Å | |
| 879 | F | 33.8 | Very low | 36.3 | Very low | 163 Ų | 163 | 121.2 Ų | 121.2 | 72% | 0.715 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -60.8 | -23.5 | -161.5 | -73.2 | -77 | 0 | 0 | 0 | 116.6 | ||
| 880 | F | 36.8 | Very low | 36.2 | Very low | 137 Ų | 137 | 116.8 Ų | 116.8 | 60% | 0.601 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -82.9 | -33 | 179.3 | -74.5 | -80.2 | 0 | 0 | 0 | 113.3 | P878 D882 E884 | P878-F880 VanDerWaalsContact C-N 3.27Å; P878-F880 PolarHBondContact O-N 3.46Å; F880-D882 VanDerWaalsContact C-N 3.3Å; F880-D882 PolarHBondContact O-N 3.1Å; F880-E884 PolarHBondContact O-N 3.43Å |
| 881 | T | 36.8 | Very low | 36.1 | Very low | 86 Ų | 86 | 115.2 Ų | 115.2 | 53% | 0.528 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -67.6 | -30.5 | 173.7 | 26.7 | 0 | 0 | 0 | 0 | 112.5 | P878 R885 | P878-T881 PolarHBondContact O-N 2.89Å; P878-T881 VanDerWaalsContact O-N 3.12Å; P878-T881 PolarHBondContact O-OG1 2.96Å; T881-R885 WeakPolarHBondContact O-CB 3.4Å; T881-R885 PolarHBondContact O-N 2.69Å; T881-R885 VanDerWaalsContact O-N 3.15Å |
| 882 | D | 36.4 | Very low | 35.4 | Very low | 72 Ų | 72 | 118.3 Ų | 118.3 | 39% | 0.385 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -74.6 | -37.4 | -179.9 | -66.8 | -38 | 0 | 0 | 0 | 112.4 | F880 E884 R885 E886 | F880-D882 VanDerWaalsContact C-N 3.3Å; F880-D882 PolarHBondContact O-N 3.1Å; D882-E884 PolarHBondContact O-N 2.98Å; D882-R885 CarbonylContact O-C 3.44Å; D882-R885 WeakPolarHBondContact O-CA 3.46Å; D882-R885 WeakPolarHBondContact O-CB 3.25Å; D882-R885 PolarHBondContact O-N 3.46Å; D882-E886 PolarHBondContact O-N 3.1Å |
| 883 | I | 37.6 | Very low | 34.9 | Very low | 83 Ų | 83 | 122.8 Ų | 122.8 | 43% | 0.426 | 65% | 0.65 | S | S | . | * | H | α-helix | trans | -64.4 | -41.3 | 176 | -65.2 | 169.9 | 0 | 0 | 0 | 111.2 | R885 E886 L887 | I883-R885 PolarHBondContact O-N 2.83Å; I883-E886 PolarHBondContact O-N 3.47Å; I883-L887 HydrophobicContact CG2-CD1 3.86Å; I883-L887 HydrophobicContact CG2-CG 4.42Å; I883-L887 WeakPolarHBondContact O-CB 3.21Å; I883-L887 WeakPolarHBondContact O-CG 3.42Å; I883-L887 PolarHBondContact O-N 2.93Å |
| 884 | E | 37.3 | Very low | 34.4 | Very low | 129 Ų | 129 | 120.5 Ų | 120.5 | 60% | 0.603 | 65% | 0.646 | S | S | * | * | H | α-helix | trans | -68 | -25.6 | 173.4 | -67.4 | -165.6 | 154.4 | 0 | 0 | 112.5 | F880 D882 N888 | F880-E884 PolarHBondContact O-N 3.43Å; D882-E884 PolarHBondContact O-N 2.98Å; E884-N888 WeakPolarHBondContact O-CB 3.34Å; E884-N888 PolarHBondContact O-N 2.91Å; E884-N888 PolarHBondContact O-ND2 3.42Å |
| 885 | R | 39 | Very low | 34.2 | Very low | 179 Ų | 179 | 120.7 Ų | 120.7 | 68% | 0.675 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -78.9 | -38.3 | 176.3 | -156.1 | 177.6 | -143.9 | 155.8 | 5.7 | 112.5 | T881 D882 I883 S889 | T881-R885 WeakPolarHBondContact O-CB 3.4Å; T881-R885 PolarHBondContact O-N 2.69Å; T881-R885 VanDerWaalsContact O-N 3.15Å; D882-R885 CarbonylContact O-C 3.44Å; D882-R885 WeakPolarHBondContact O-CA 3.46Å; D882-R885 WeakPolarHBondContact O-CB 3.25Å; D882-R885 PolarHBondContact O-N 3.46Å; I883-R885 PolarHBondContact O-N 2.83Å; R885-S889 PolarHBondContact O-N 3.46Å; R885-S889 PolarHBondContact O-OG 2.77Å |
| 886 | E | 38.5 | Very low | 34.1 | Very low | 150 Ų | 150 | 123.3 Ų | 123.3 | 70% | 0.701 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -69.3 | -43.6 | 173.8 | -71.7 | -169.1 | 142.4 | 0 | 0 | 111.3 | D882 I883 N888 S889 | D882-E886 PolarHBondContact O-N 3.1Å; I883-E886 PolarHBondContact O-N 3.47Å; E886-N888 VanDerWaalsContact C-N 3.34Å; E886-N888 PolarHBondContact O-N 3.05Å; E886-S889 WeakPolarHBondContact O-CB 3.4Å; E886-S889 PolarHBondContact O-N 3.26Å; E886-S889 VanDerWaalsContact O-N 3.12Å |
| 887 | L | 43.1 | Very low | 34.4 | Very low | 126 Ų | 126 | 127.9 Ų | 127.9 | 66% | 0.66 | 65% | 0.653 | S | S | * | * | H | α-helix | trans | -70.4 | -25.3 | 178.7 | -70.7 | 174.2 | 0 | 0 | 0 | 114.1 | I883 | I883-L887 HydrophobicContact CG2-CD1 3.86Å; I883-L887 HydrophobicContact CG2-CG 4.42Å; I883-L887 WeakPolarHBondContact O-CB 3.21Å; I883-L887 WeakPolarHBondContact O-CG 3.42Å; I883-L887 PolarHBondContact O-N 2.93Å |
| 888 | N | 40.5 | Very low | 34.4 | Very low | 134 Ų | 134 | 128.5 Ų | 128.5 | 72% | 0.717 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.9 | 3.7 | 171.5 | -71.9 | -65.4 | 0 | 0 | 0 | 113.5 | E884 E886 | E884-N888 WeakPolarHBondContact O-CB 3.34Å; E884-N888 PolarHBondContact O-N 2.91Å; E884-N888 PolarHBondContact O-ND2 3.42Å; E886-N888 VanDerWaalsContact C-N 3.34Å; E886-N888 PolarHBondContact O-N 3.05Å |
| 889 | S | 30.7 | Very low | 34.7 | Very low | 70 Ų | 70 | 132.2 Ų | 132.2 | 49% | 0.49 | 66% | 0.663 | S | S | . | * | S | Bend | trans | -81.5 | 126.2 | 173.4 | -69.6 | 0 | 0 | 0 | 0 | 110.6 | R885 E886 | R885-S889 PolarHBondContact O-N 3.46Å; R885-S889 PolarHBondContact O-OG 2.77Å; E886-S889 WeakPolarHBondContact O-CB 3.4Å; E886-S889 PolarHBondContact O-N 3.26Å; E886-S889 VanDerWaalsContact O-N 3.12Å |
| 890 | P | 29.7 | Very low | 34.8 | Very low | 97 Ų | 97 | 132.5 Ų | 132.5 | 63% | 0.63 | 66% | 0.664 | S | S | * | * | trans | -65.7 | 139.3 | 177.9 | 27.2 | -34 | 0 | 0 | 0 | 110.5 | L892 | P890-L892 PolarHBondContact O-N 2.93Š| ||
| 891 | P | 32.2 | Very low | 34.5 | Very low | 138 Ų | 138 | 134.3 Ų | 134.3 | 90% | 0.896 | 67% | 0.672 | S | S | * | * | trans | -71.6 | 85.5 | -170.4 | 27.8 | -35.7 | 0 | 0 | 0 | 112.7 | ||||
| 892 | L | 28 | Very low | 34.5 | Very low | 146 Ų | 146 | 137.9 Ų | 137.9 | 76% | 0.764 | 69% | 0.685 | S | S | * | * | trans | -100.4 | 74 | 178.8 | -89.7 | 170.4 | 0 | 0 | 0 | 112.1 | P890 | P890-L892 PolarHBondContact O-N 2.93Š| ||
| 893 | Y | 31.8 | Very low | 34.4 | Very low | 238 Ų | 238 | 142.7 Ų | 142.7 | 93% | 0.933 | 70% | 0.702 | S | S | * | * | trans | -142.1 | 99.7 | 149.5 | -101 | -67.9 | 0 | 0 | 0 | 112.6 | ||||
| 894 | S | 26.3 | Very low | 34.2 | Very low | 103 Ų | 103 | 143.5 Ų | 143.5 | 72% | 0.72 | 72% | 0.715 | S | S | * | * | trans | -82.8 | 134.4 | 169.7 | 62.5 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 895 | H | 34.2 | Very low | 34 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 71% | 0.708 | 72% | 0.723 | S | S | * | * | trans | -151.7 | 121.9 | 148.7 | -110 | 17.6 | 0 | 0 | 0 | 113.3 | ||||
| 896 | K | 35.8 | Very low | 33.7 | Very low | 164 Ų | 164 | 140.2 Ų | 140.2 | 71% | 0.713 | 72% | 0.723 | S | S | * | * | trans | 51.7 | 130.9 | 145.1 | -62.1 | 156.2 | -178.9 | 159.4 | 0 | 117.7 | ||||
| 897 | E | 32.4 | Very low | 33.4 | Very low | 142 Ų | 142 | 138.3 Ų | 138.3 | 66% | 0.664 | 73% | 0.726 | S | S | * | * | cis | -157 | 142.3 | 21.1 | -144.5 | -176 | -122.2 | 0 | 0 | 112.3 | K899 | E897-K899 IonicContact OE2-NZ 3.8Å; E897-K899 PolarHBondContact OE2-NZ 3.38Å | ||
| 898 | P | 32.5 | Very low | 33.1 | Very low | 114 Ų | 114 | 137 Ų | 137 | 74% | 0.74 | 73% | 0.728 | S | S | * | * | trans | -93.9 | 150.6 | -178.7 | 35.8 | -35.4 | 0 | 0 | 0 | 113.6 | ||||
| 899 | K | 35.8 | Very low | 32.8 | Very low | 152 Ų | 152 | 137.6 Ų | 137.6 | 66% | 0.661 | 73% | 0.729 | S | S | * | * | trans | -158.5 | 122.3 | 160.6 | -92.5 | 118.6 | -175.3 | 179.7 | 0 | 112.8 | E897 | E897-K899 IonicContact OE2-NZ 3.8Å; E897-K899 PolarHBondContact OE2-NZ 3.38Å | ||
| 900 | K | 35.2 | Very low | 33.1 | Very low | 170 Ų | 170 | 141 Ų | 141 | 74% | 0.739 | 74% | 0.741 | S | S | * | * | trans | 66.6 | 147.2 | 153 | -56.7 | 163.2 | -175.1 | 174.3 | 0 | 114.9 | ||||
| 901 | F | 31.6 | Very low | 33.4 | Very low | 175 Ų | 175 | 143.7 Ų | 143.7 | 77% | 0.768 | 75% | 0.745 | S | S | * | * | cis | -157.4 | 163.3 | -6.5 | -100.1 | -30.8 | 0 | 0 | 0 | 106.6 | ||||
| 902 | M | 35.8 | Very low | 33.6 | Very low | 161 Ų | 161 | 145.6 Ų | 145.6 | 79% | 0.793 | 74% | 0.742 | S | S | * | * | cis | -148.9 | -169 | 7.4 | -145.5 | 173.2 | 169.2 | 0 | 0 | 111.6 | ||||
| 903 | K | 33.7 | Very low | 33.8 | Very low | 172 Ų | 172 | 145.4 Ų | 145.4 | 75% | 0.748 | 74% | 0.742 | S | S | * | * | trans | -66.9 | 158.9 | 172.1 | -65.1 | 169.2 | 178.7 | 178.5 | 0 | 111.2 | ||||
| 904 | S | 34 | Very low | 33.9 | Very low | 100 Ų | 100 | 141 Ų | 141 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | -166.2 | 139.6 | 58.6 | -57.2 | 0 | 0 | 0 | 0 | 115.3 | |||||
| 905 | N | 33.3 | Very low | 34 | Very low | 143 Ų | 143 | 141 Ų | 141 | 77% | 0.765 | 73% | 0.733 | S | S | * | * | 44.2 | 144.9 | 124.4 | -43.6 | -7.6 | 0 | 0 | 0 | 119.6 | |||||
| 906 | S | 33.5 | Very low | 34 | Very low | 97 Ų | 97 | 138.4 Ų | 138.4 | 68% | 0.678 | 73% | 0.732 | S | S | * | * | cis | -162.7 | 152.8 | 27.8 | 51.9 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 907 | S | 32.6 | Very low | 33.9 | Very low | 109 Ų | 109 | 138.8 Ų | 138.8 | 76% | 0.762 | 73% | 0.733 | S | S | * | * | trans | 60.9 | 139.9 | 147.3 | 53.3 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 908 | S | 35.2 | Very low | 34 | Very low | 100 Ų | 100 | 138 Ų | 138 | 70% | 0.699 | 73% | 0.734 | S | S | * | * | cis | -158.7 | 140.1 | 9.9 | 37.2 | 0 | 0 | 0 | 0 | 114 | ||||
| 909 | I | 35.6 | Very low | 34.1 | Very low | 145 Ų | 145 | 141.6 Ų | 141.6 | 74% | 0.744 | 74% | 0.741 | S | S | * | * | 24.9 | 137.2 | 127.2 | -8.2 | 160.9 | 0 | 0 | 0 | 116.8 | |||||
| 910 | I | 36.8 | Very low | 34 | Very low | 142 Ų | 142 | 137.5 Ų | 137.5 | 73% | 0.728 | 74% | 0.741 | S | S | * | * | cis | -153.5 | 127.8 | 45.9 | -63.8 | 175.9 | 0 | 0 | 0 | 107 | ||||
| 911 | E | 35.7 | Very low | 34 | Very low | 154 Ų | 154 | 137.8 Ų | 137.8 | 72% | 0.72 | 75% | 0.745 | S | S | * | * | 55.1 | 110 | 92.7 | -89.5 | 157.1 | -153.5 | 0 | 0 | 113.1 | |||||
| 912 | E | 35.1 | Very low | 34.3 | Very low | 178 Ų | 178 | 135.1 Ų | 135.1 | 83% | 0.832 | 74% | 0.739 | S | S | * | * | 83.9 | 160.5 | 92.1 | -79.2 | -150.6 | 143.4 | 0 | 0 | 115.4 | |||||
| 913 | N | 33 | Very low | 34.4 | Very low | 142 Ų | 142 | 132.4 Ų | 132.4 | 76% | 0.759 | 73% | 0.732 | S | S | * | * | trans | -50.6 | 149.9 | -175.4 | -50 | -63.4 | 0 | 0 | 0 | 112.1 | ||||
| 914 | D | 33.7 | Very low | 34.6 | Very low | 145 Ų | 145 | 130.3 Ų | 130.3 | 78% | 0.775 | 73% | 0.729 | S | S | * | * | -171.5 | 172.1 | 60.5 | -143.4 | -35.1 | 0 | 0 | 0 | 113.9 | |||||
| 915 | C | 28.2 | Very low | 34.7 | Very low | 102 Ų | 102 | 131.5 Ų | 131.5 | 69% | 0.689 | 73% | 0.727 | S | S | * | * | trans | 45.9 | 102.3 | 149.9 | -80.1 | 0 | 0 | 0 | 0 | 121 | ||||
| 916 | S | 34.6 | Very low | 34.8 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 69% | 0.692 | 72% | 0.724 | S | S | * | * | 134.4 | 153.2 | 94.3 | 73.8 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 917 | K | 33.4 | Very low | 34.8 | Very low | 172 Ų | 172 | 133 Ų | 133 | 75% | 0.748 | 73% | 0.726 | S | S | * | * | trans | 74 | 101.8 | 150 | -75.2 | 165.8 | -178.2 | 169.6 | 0 | 121.5 | ||||
| 918 | N | 35 | Very low | 34.5 | Very low | 126 Ų | 126 | 132.5 Ų | 132.5 | 67% | 0.674 | 72% | 0.722 | S | S | * | * | 84.8 | 128.4 | 114.7 | -67.1 | 8.3 | 0 | 0 | 0 | 121.5 | |||||
| 919 | Q | 35.3 | Very low | 34.2 | Very low | 190 Ų | 190 | 133.7 Ų | 133.7 | 89% | 0.888 | 73% | 0.725 | S | S | * | * | trans | 69.9 | 124.9 | 144.1 | -67.7 | 166.1 | -21.2 | 0 | 0 | 117.9 | ||||
| 920 | G | 32.5 | Very low | 33.8 | Very low | 65 Ų | 65 | 131.8 Ų | 131.8 | 67% | 0.67 | 73% | 0.725 | S | S | * | * | cis | 164.4 | -180 | -5.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 921 | Q | 35.6 | Very low | 33.5 | Very low | 176 Ų | 176 | 130.7 Ų | 130.7 | 82% | 0.822 | 73% | 0.725 | S | S | * | * | trans | 66.7 | 143.2 | 171.6 | -63.2 | -174.8 | -106.8 | 0 | 0 | 115.3 | ||||
| 922 | D | 37.4 | Very low | 33.1 | Very low | 120 Ų | 120 | 128.7 Ų | 128.7 | 64% | 0.642 | 73% | 0.728 | S | S | * | * | cis | -159 | 158 | -7.4 | -96.4 | -21 | 0 | 0 | 0 | 105.5 | ||||
| 923 | T | 39.2 | Very low | 33 | Very low | 103 Ų | 103 | 123.5 Ų | 123.5 | 63% | 0.632 | 72% | 0.722 | S | S | * | * | cis | -165.6 | 146 | 9.1 | 24.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 924 | N | 37.2 | Very low | 32.8 | Very low | 128 Ų | 128 | 123.9 Ų | 123.9 | 68% | 0.684 | 72% | 0.724 | S | S | * | * | trans | 61.2 | 159.8 | 140.6 | -64.5 | 49.6 | 0 | 0 | 0 | 118.7 | ||||
| 925 | D | 36.7 | Very low | 32.8 | Very low | 125 Ų | 125 | 125.7 Ų | 125.7 | 67% | 0.668 | 73% | 0.725 | S | S | * | * | cis | -167.9 | 158.1 | -8.3 | -106.1 | -7.7 | 0 | 0 | 0 | 107.4 | ||||
| 926 | I | 34.6 | Very low | 33.1 | Very low | 136 Ų | 136 | 126.8 Ų | 126.8 | 70% | 0.697 | 72% | 0.724 | S | S | * | * | cis | -155 | -162.7 | -3.1 | -138.3 | 173.8 | 0 | 0 | 0 | 111.5 | ||||
| 927 | L | 33.9 | Very low | 32.9 | Very low | 136 Ų | 136 | 132.7 Ų | 132.7 | 71% | 0.712 | 73% | 0.731 | S | S | * | * | trans | -23.5 | 144.9 | 171.6 | -53.6 | 168.9 | 0 | 0 | 0 | 119.2 | ||||
| 928 | S | 26.6 | Very low | 32.9 | Very low | 99 Ų | 99 | 134 Ų | 134 | 69% | 0.692 | 74% | 0.737 | S | S | * | * | cis | 89.3 | 133.6 | 28.1 | -60.6 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 929 | T | 28.2 | Very low | 32.8 | Very low | 124 Ų | 124 | 132.7 Ų | 132.7 | 76% | 0.761 | 74% | 0.738 | S | S | * | * | trans | 73.9 | 125.4 | 146.7 | 46.7 | 0 | 0 | 0 | 0 | 123.6 | ||||
| 930 | S | 26.8 | Very low | 32.6 | Very low | 105 Ų | 105 | 129 Ų | 129 | 73% | 0.734 | 73% | 0.732 | S | S | * | * | trans | 77.4 | 156 | 137.7 | -58.3 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 931 | T | 30 | Very low | 32.6 | Very low | 120 Ų | 120 | 133.8 Ų | 133.8 | 74% | 0.736 | 74% | 0.742 | S | S | * | * | cis | -155.3 | 148.1 | 8 | -13.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 932 | S | 27.9 | Very low | 32.3 | Very low | 111 Ų | 111 | 133.3 Ų | 133.3 | 78% | 0.776 | 75% | 0.745 | S | S | * | * | trans | 22.4 | 133.1 | 145.5 | 64.6 | 0 | 0 | 0 | 0 | 124 | ||||
| 933 | G | 33.2 | Very low | 32 | Very low | 69 Ų | 69 | 131.7 Ų | 131.7 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | 159.6 | 93.4 | 151.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 934 | L | 29.5 | Very low | 31.4 | Very low | 151 Ų | 151 | 132.1 Ų | 132.1 | 79% | 0.791 | 76% | 0.756 | S | S | * | * | 81.5 | 138.4 | 77.9 | -78.4 | 171.1 | 0 | 0 | 0 | 115.1 | |||||
| 935 | F | 33.3 | Very low | 31.1 | Very low | 182 Ų | 182 | 134.5 Ų | 134.5 | 80% | 0.798 | 76% | 0.76 | S | S | * | * | trans | 72.8 | 139.9 | -176.5 | -50.5 | -75 | 0 | 0 | 0 | 115.2 | ||||
| 936 | N | 34.4 | Very low | 30.7 | Very low | 126 Ų | 126 | 137 Ų | 137 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | cis | -152.5 | 147.6 | -5.1 | -130.8 | -24.3 | 0 | 0 | 0 | 114.6 | ||||
| 937 | R | 31.4 | Very low | 30.6 | Very low | 223 Ų | 223 | 137.1 Ų | 137.1 | 84% | 0.842 | 77% | 0.768 | S | S | * | * | trans | -28.4 | 135.4 | 170.6 | -57.9 | 151 | 165.8 | 171.3 | -6.6 | 115.7 | ||||
| 938 | K | 33.2 | Very low | 30.4 | Very low | 199 Ų | 199 | 138.5 Ų | 138.5 | 87% | 0.865 | 77% | 0.769 | S | S | * | * | 178.5 | 158.7 | 82.2 | -84.3 | 173.7 | -179.2 | 176.8 | 0 | 108.5 | |||||
| 939 | S | 32.4 | Very low | 30.4 | Very low | 99 Ų | 99 | 141.1 Ų | 141.1 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | cis | -164.3 | 114.7 | -9.8 | 43.5 | 0 | 0 | 0 | 0 | 112 | ||||
| 940 | S | 30.1 | Very low | 30.5 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | 26.1 | 122.7 | 145.7 | 59.4 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 941 | L | 32.2 | Very low | 30.5 | Very low | 167 Ų | 167 | 143.6 Ų | 143.6 | 87% | 0.874 | 78% | 0.78 | S | S | * | * | -163 | 100.2 | 114.3 | -111.5 | 168.1 | 0 | 0 | 0 | 111.7 | |||||
| 942 | D | 31 | Very low | 30.5 | Very low | 166 Ų | 166 | 143 Ų | 143 | 89% | 0.888 | 78% | 0.781 | S | S | * | * | trans | -80.4 | 136 | 159.7 | -81.1 | -62.6 | 0 | 0 | 0 | 109.3 | ||||
| 943 | A | 29.4 | Very low | 30.8 | Very low | 86 Ų | 86 | 144.3 Ų | 144.3 | 71% | 0.711 | 78% | 0.778 | S | S | * | * | trans | -146.8 | 88.5 | 170.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 944 | S | 28.2 | Very low | 30.7 | Very low | 112 Ų | 112 | 148 Ų | 148 | 78% | 0.783 | 78% | 0.781 | S | S | * | * | trans | -66.6 | 140.5 | 173.2 | 53.7 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 945 | F | 29.9 | Very low | 30.9 | Very low | 177 Ų | 177 | 147.3 Ų | 147.3 | 78% | 0.776 | 78% | 0.778 | S | S | * | * | trans | -131.3 | 78.9 | 163 | -88.3 | -54.5 | 0 | 0 | 0 | 112.5 | I947 | F945-I947 HydrophobicContact CB-CG1 4.27Å; F945-I947 HydrophobicContact CD1-CD1 3.67Å; F945-I947 HydrophobicContact CD1-CG1 3.45Å; F945-I947 VanDerWaalsContact CD1-CG1 3.45Å; F945-I947 HydrophobicContact CE1-CD1 3.96Å; F945-I947 HydrophobicContact CE1-CG1 4.08Å; F945-I947 HydrophobicContact CG-CD1 4.24Å; F945-I947 HydrophobicContact CG-CG1 4.16Å | ||
| 946 | E | 29.3 | Very low | 30.9 | Very low | 178 Ų | 178 | 144 Ų | 144 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | -74.3 | 115.1 | 137 | -69.3 | -174.6 | 124.9 | 0 | 0 | 107 | ||||
| 947 | I | 31.5 | Very low | 30.9 | Very low | 138 Ų | 138 | 147.1 Ų | 147.1 | 71% | 0.708 | 78% | 0.783 | S | S | * | * | P | Polyproline II helix | trans | -100.3 | 118.5 | 169.6 | -64.2 | -175.9 | 0 | 0 | 0 | 109.1 | F945 | F945-I947 HydrophobicContact CB-CG1 4.27Å; F945-I947 HydrophobicContact CD1-CD1 3.67Å; F945-I947 HydrophobicContact CD1-CG1 3.45Å; F945-I947 VanDerWaalsContact CD1-CG1 3.45Å; F945-I947 HydrophobicContact CE1-CD1 3.96Å; F945-I947 HydrophobicContact CE1-CG1 4.08Å; F945-I947 HydrophobicContact CG-CD1 4.24Å; F945-I947 HydrophobicContact CG-CG1 4.16Å |
| 948 | F | 30.4 | Very low | 31 | Very low | 166 Ų | 166 | 139.7 Ų | 139.7 | 73% | 0.728 | 78% | 0.776 | S | S | * | * | P | Polyproline II helix | trans | -60.8 | 155.8 | 178.9 | -90.7 | -120.2 | 0 | 0 | 0 | 113.5 | N950 | F948-N950 PolarHBondContact O-N 3.15Š|
| 949 | N | 26.4 | Very low | 31 | Very low | 154 Ų | 154 | 135.9 Ų | 135.9 | 82% | 0.824 | 77% | 0.77 | S | S | * | * | P | Polyproline II helix | trans | -47.7 | 129.1 | 151.3 | -70.4 | -55.3 | 0 | 0 | 0 | 109.9 | ||
| 950 | N | 30.6 | Very low | 31.1 | Very low | 153 Ų | 153 | 139 Ų | 139 | 82% | 0.818 | 77% | 0.773 | S | S | * | * | trans | -136.1 | 116 | 165.6 | -110.9 | -34.7 | 0 | 0 | 0 | 111.3 | F948 | F948-N950 PolarHBondContact O-N 3.15Š| ||
| 951 | T | 25.2 | Very low | 31.1 | Very low | 128 Ų | 128 | 138.6 Ų | 138.6 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -98.8 | 114.7 | 176.7 | -50.6 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 952 | S | 31.6 | Very low | 31.2 | Very low | 106 Ų | 106 | 142.4 Ų | 142.4 | 74% | 0.741 | 77% | 0.773 | S | S | * | * | trans | -128.8 | 98.1 | 164.4 | 45.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 953 | I | 33.5 | Very low | 31.1 | Very low | 140 Ų | 140 | 139.4 Ų | 139.4 | 72% | 0.718 | 77% | 0.765 | S | S | * | * | 58.9 | 102.4 | 86.6 | -59.8 | 167.8 | 0 | 0 | 0 | 111.3 | |||||
| 954 | N | 31.9 | Very low | 31.3 | Very low | 146 Ų | 146 | 140.1 Ų | 140.1 | 78% | 0.781 | 77% | 0.771 | S | S | * | * | -156.7 | 146.7 | 127.2 | -100 | -32.3 | 0 | 0 | 0 | 111.8 | |||||
| 955 | N | 32.7 | Very low | 31.4 | Very low | 136 Ų | 136 | 143.1 Ų | 143.1 | 73% | 0.727 | 77% | 0.773 | S | S | * | * | trans | 66.1 | 79.1 | 160.3 | -60.1 | -5.3 | 0 | 0 | 0 | 120.2 | ||||
| 956 | T | 34 | Very low | 31.6 | Very low | 112 Ų | 112 | 142.6 Ų | 142.6 | 69% | 0.687 | 77% | 0.772 | S | S | * | * | 57.7 | 121.8 | 115.4 | 56.2 | 0 | 0 | 0 | 0 | 122 | |||||
| 957 | H | 34.5 | Very low | 31.9 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 89% | 0.894 | 76% | 0.762 | S | S | * | * | trans | 55.8 | 124 | 150.5 | -55.3 | -66 | 0 | 0 | 0 | 118.7 | ||||
| 958 | G | 32.8 | Very low | 32 | Very low | 66 Ų | 66 | 139 Ų | 139 | 68% | 0.68 | 77% | 0.765 | S | S | * | * | cis | 171.6 | -174.2 | -1.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 959 | T | 34.2 | Very low | 32.2 | Very low | 120 Ų | 120 | 138.5 Ų | 138.5 | 74% | 0.736 | 77% | 0.769 | S | S | * | * | trans | -6.2 | 144.8 | 151.6 | 52.2 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 960 | E | 33 | Very low | 32.4 | Very low | 164 Ų | 164 | 138.7 Ų | 138.7 | 77% | 0.766 | 77% | 0.769 | S | S | * | * | cis | -176.2 | 164.2 | -3.7 | -119.3 | 166 | -149.6 | 0 | 0 | 108.1 | ||||
| 961 | S | 31.8 | Very low | 32.4 | Very low | 103 Ų | 103 | 139.7 Ų | 139.7 | 72% | 0.72 | 77% | 0.774 | S | S | * | * | trans | 66.1 | 163.3 | 159.5 | 82.8 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 962 | W | 33.5 | Very low | 32.5 | Very low | 246 Ų | 246 | 139 Ų | 139 | 93% | 0.932 | 77% | 0.774 | S | S | * | * | cis | -154.8 | 174.2 | -23.1 | -114.4 | 17.3 | 0 | 0 | 0 | 108.9 | ||||
| 963 | S | 28 | Very low | 32.5 | Very low | 104 Ų | 104 | 139.9 Ų | 139.9 | 73% | 0.727 | 78% | 0.777 | S | S | * | * | trans | -49.1 | 147.3 | 176.6 | 53.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 964 | A | 33.9 | Very low | 32.4 | Very low | 101 Ų | 101 | 141.9 Ų | 141.9 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | -169.2 | 159.9 | 124.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 965 | E | 30.3 | Very low | 32.2 | Very low | 174 Ų | 174 | 140.6 Ų | 140.6 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -76.7 | 157.6 | 179 | -58.5 | 143.5 | 124.5 | 0 | 0 | 112.9 | ||||
| 966 | H | 35.3 | Very low | 31.9 | Very low | 166 Ų | 166 | 139.3 Ų | 139.3 | 77% | 0.769 | 79% | 0.788 | S | S | * | * | -179.1 | 124.8 | 119.7 | -105.8 | -74.3 | 0 | 0 | 0 | 115.4 | |||||
| 967 | T | 35.8 | Very low | 31.7 | Very low | 101 Ų | 101 | 140.1 Ų | 140.1 | 62% | 0.62 | 79% | 0.792 | S | S | * | * | trans | 32.8 | 120.5 | 143.3 | 52.7 | 0 | 0 | 0 | 0 | 122 | ||||
| 968 | D | 32.9 | Very low | 31.3 | Very low | 141 Ų | 141 | 142.1 Ų | 142.1 | 75% | 0.754 | 79% | 0.792 | S | S | * | * | 42.4 | 112.1 | 128.9 | -45.6 | -31.3 | 0 | 0 | 0 | 120.1 | |||||
| 969 | N | 33.5 | Very low | 31.2 | Very low | 155 Ų | 155 | 142.6 Ų | 142.6 | 83% | 0.829 | 80% | 0.797 | S | S | * | * | -167.7 | 153.8 | 108.9 | -106.1 | -73.2 | 0 | 0 | 0 | 114.3 | |||||
| 970 | L | 31.1 | Very low | 31 | Very low | 157 Ų | 157 | 143.4 Ų | 143.4 | 82% | 0.822 | 80% | 0.796 | S | S | * | * | trans | -49.5 | 132.5 | 179.9 | -61 | 153.3 | 0 | 0 | 0 | 115.2 | ||||
| 971 | L | 31.9 | Very low | 30.9 | Very low | 174 Ų | 174 | 147 Ų | 147 | 91% | 0.911 | 80% | 0.803 | S | S | * | * | 179.7 | 150.7 | 128.6 | -97 | 161.7 | 0 | 0 | 0 | 111.8 | |||||
| 972 | S | 26 | Very low | 31.1 | Very low | 114 Ų | 114 | 147.6 Ų | 147.6 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -83.4 | 157.6 | -170.9 | -43.8 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 973 | P | 31.1 | Very low | 31.1 | Very low | 124 Ų | 124 | 141.5 Ų | 141.5 | 81% | 0.805 | 80% | 0.796 | S | S | * | * | trans | -125.8 | 139.2 | 146.3 | 35.9 | -25.6 | 0 | 0 | 0 | 113.1 | ||||
| 974 | E | 32.9 | Very low | 31.6 | Very low | 182 Ų | 182 | 141.9 Ų | 141.9 | 85% | 0.85 | 80% | 0.796 | S | S | * | * | trans | -87 | 143.9 | 169.7 | -63.8 | 174.4 | 108.8 | 0 | 0 | 111.5 | ||||
| 975 | S | 26.3 | Very low | 31.7 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 80% | 0.797 | S | S | * | * | trans | 58.7 | 128.5 | 154.6 | 71.9 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 976 | S | 28 | Very low | 31.7 | Very low | 109 Ų | 109 | 139.5 Ų | 139.5 | 76% | 0.762 | 79% | 0.79 | S | S | * | * | 160.2 | 115.6 | 125 | -172.1 | 0 | 0 | 0 | 0 | 114.4 | |||||
| 977 | V | 28.2 | Very low | 31.4 | Very low | 129 Ų | 129 | 135.8 Ų | 135.8 | 78% | 0.782 | 80% | 0.797 | S | S | * | * | trans | 41.4 | 119.7 | 140 | -173.4 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 978 | R | 27.8 | Very low | 31.1 | Very low | 235 Ų | 235 | 136.2 Ų | 136.2 | 89% | 0.887 | 80% | 0.804 | S | S | * | * | trans | -175.4 | 155 | 132.9 | -107.6 | 168.5 | -172.4 | -147.9 | 0.1 | 114.7 | ||||
| 979 | G | 29.6 | Very low | 31.1 | Very low | 77 Ų | 77 | 137.8 Ų | 137.8 | 79% | 0.794 | 81% | 0.806 | S | S | * | * | trans | 130.1 | 47.5 | 164.2 | 0 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 980 | L | 30.3 | Very low | 31.1 | Very low | 137 Ų | 137 | 137.8 Ų | 137.8 | 72% | 0.717 | 80% | 0.801 | S | S | * | * | 74.7 | 101 | 69.2 | -125.2 | -177.7 | 0 | 0 | 0 | 116.4 | |||||
| 981 | R | 31.4 | Very low | 30.9 | Very low | 240 Ų | 240 | 137.2 Ų | 137.2 | 91% | 0.906 | 80% | 0.798 | S | S | * | * | trans | -160.4 | 141.5 | 153.3 | -78.6 | -161.1 | -173 | -170.6 | 3.1 | 108.1 | ||||
| 982 | T | 35.6 | Very low | 30.8 | Very low | 115 Ų | 115 | 134 Ų | 134 | 71% | 0.706 | 79% | 0.788 | S | S | * | * | cis | -156.5 | 158.9 | -33.5 | -7.4 | 0 | 0 | 0 | 0 | 108.7 | ||||
| 983 | C | 33.7 | Very low | 30.8 | Very low | 117 Ų | 117 | 133.3 Ų | 133.3 | 79% | 0.791 | 78% | 0.783 | S | S | * | * | trans | -123 | -160.9 | 164.5 | -49.5 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 984 | P | 38 | Very low | 30.9 | Very low | 112 Ų | 112 | 134.8 Ų | 134.8 | 73% | 0.727 | 78% | 0.783 | S | S | * | * | cis | -100.7 | -159.7 | 28.5 | 45.6 | -40.9 | 0 | 0 | 0 | 111 | ||||
| 985 | D | 36.1 | Very low | 30.7 | Very low | 160 Ų | 160 | 133.5 Ų | 133.5 | 86% | 0.856 | 78% | 0.782 | S | S | * | * | cis | -150.8 | -169.5 | -4.4 | -133.5 | -16.6 | 0 | 0 | 0 | 107.5 | ||||
| 986 | G | 29.6 | Very low | 31 | Very low | 66 Ų | 66 | 133.5 Ų | 133.5 | 68% | 0.68 | 78% | 0.776 | S | S | * | * | cis | 147.1 | 108.8 | -1.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 987 | G | 29.8 | Very low | 30.9 | Very low | 88 Ų | 88 | 135.9 Ų | 135.9 | 91% | 0.907 | 78% | 0.777 | S | S | * | * | trans | 157.4 | 107.6 | 173.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 988 | S | 30.3 | Very low | 30.9 | Very low | 109 Ų | 109 | 136.1 Ų | 136.1 | 76% | 0.762 | 77% | 0.774 | S | S | * | * | trans | -126.9 | 137.3 | 172.1 | 171.7 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 989 | Q | 32.3 | Very low | 30.9 | Very low | 174 Ų | 174 | 130.8 Ų | 130.8 | 81% | 0.813 | 77% | 0.768 | S | S | * | * | trans | -170 | 126.8 | 158.9 | -111.1 | 147.5 | 88.1 | 0 | 0 | 114.3 | ||||
| 990 | H | 32.6 | Very low | 30.8 | Very low | 156 Ų | 156 | 133.8 Ų | 133.8 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | 65.2 | 117.2 | 142.3 | -73.1 | -126.3 | 0 | 0 | 0 | 119.8 | ||||
| 991 | L | 26.7 | Very low | 30.7 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | 70.7 | 144 | 78.7 | -89 | 106.9 | 0 | 0 | 0 | 114.5 | |||||
| 992 | P | 30.4 | Very low | 30.5 | Very low | 106 Ų | 106 | 127 Ų | 127 | 69% | 0.688 | 75% | 0.754 | S | S | * | * | cis | -143 | -168.1 | -29.8 | 41.1 | -22.2 | 0 | 0 | 0 | 114.4 | ||||
| 993 | S | 26.8 | Very low | 30 | Very low | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 76% | 0.757 | S | S | * | * | trans | -36.7 | 146.5 | 167.1 | 54.5 | 0 | 0 | 0 | 0 | 118.1 | ||||
| 994 | I | 33.1 | Very low | 29.7 | Very low | 156 Ų | 156 | 130.2 Ų | 130.2 | 80% | 0.8 | 75% | 0.749 | S | S | * | * | trans | -145.2 | 121.3 | 138.2 | -107.3 | 157.2 | 0 | 0 | 0 | 110.1 | ||||
| 995 | D | 27.8 | Very low | 29.3 | Very low | 155 Ų | 155 | 132.6 Ų | 132.6 | 83% | 0.829 | 75% | 0.75 | S | S | * | * | trans | -84.9 | 123.7 | 157 | -73.9 | -62.9 | 0 | 0 | 0 | 108.5 | ||||
| 996 | T | 33.2 | Very low | 29 | Very low | 118 Ų | 118 | 130.1 Ų | 130.1 | 72% | 0.724 | 74% | 0.736 | S | S | * | * | trans | -149.3 | 112.3 | 150.3 | 42 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 997 | M | 26.2 | Very low | 28.9 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 78% | 0.783 | 74% | 0.742 | S | S | * | * | 69.5 | 141.9 | 62.9 | -78.7 | -68.3 | -127 | 0 | 0 | 115.4 | |||||
| 998 | D | 27.1 | Very low | 28.8 | Very low | 134 Ų | 134 | 135.8 Ų | 135.8 | 72% | 0.717 | 72% | 0.724 | S | S | * | * | trans | 78.1 | 156.7 | 157.5 | -66.1 | -39.9 | 0 | 0 | 0 | 121.6 | ||||
| 999 | V | 29 | Very low | 28.8 | Very low | 123 Ų | 123 | 136.8 Ų | 136.8 | 75% | 0.745 | 72% | 0.72 | S | S | * | * | trans | 82 | 83.2 | 173.9 | -163.7 | 0 | 0 | 0 | 0 | 114.8 | ||||
| 1000 | I | 27.6 | Very low | 28.6 | Very low | 141 Ų | 141 | 135 Ų | 135 | 72% | 0.723 | 71% | 0.709 | S | S | * | * | 70.5 | 129.7 | 72.2 | -62.2 | 164.7 | 0 | 0 | 0 | 111.7 | |||||
| 1001 | S | 26.6 | Very low | 28.4 | Very low | 91 Ų | 91 | 133.4 Ų | 133.4 | 64% | 0.636 | 71% | 0.706 | S | S | * | * | cis | -167 | 175.9 | -13.1 | -98.7 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 1002 | N | 27.3 | Very low | 28.5 | Very low | 144 Ų | 144 | 133.9 Ų | 133.9 | 77% | 0.77 | 70% | 0.704 | S | S | * | * | trans | -20.2 | 133.7 | 154.2 | -37 | -46.4 | 0 | 0 | 0 | 114.9 | ||||
| 1003 | Q | 26.8 | Very low | 28.4 | Very low | 163 Ų | 163 | 135.4 Ų | 135.4 | 76% | 0.762 | 71% | 0.706 | S | S | * | * | 178.1 | 132.8 | 118.2 | -102 | 168.3 | -27.5 | 0 | 0 | 113.8 | |||||
| 1004 | H | 27.4 | Very low | 28.7 | Very low | 136 Ų | 136 | 140.7 Ų | 140.7 | 63% | 0.63 | 71% | 0.712 | S | S | * | * | trans | 59.4 | 164.1 | 158.3 | -59.8 | -62.9 | 0 | 0 | 0 | 117 | ||||
| 1005 | E | 29.2 | Very low | 28.9 | Very low | 161 Ų | 161 | 137.6 Ų | 137.6 | 75% | 0.752 | 70% | 0.702 | S | S | * | * | cis | -135.9 | 123.7 | -0.6 | -131.5 | 129.8 | -148 | 0 | 0 | 106.8 | ||||
| 1006 | I | 29.1 | Very low | 28.7 | Very low | 108 Ų | 108 | 138.3 Ų | 138.3 | 55% | 0.554 | 70% | 0.702 | S | S | * | * | 68.3 | 126.5 | 87.2 | -67.4 | -179.2 | 0 | 0 | 0 | 113.7 | |||||
| 1007 | Q | 27.3 | Very low | 28.3 | Very low | 172 Ų | 172 | 136.6 Ų | 136.6 | 80% | 0.804 | 70% | 0.696 | S | S | * | * | trans | 70 | 154.1 | 159.1 | -79.9 | 160.3 | 10.2 | 0 | 0 | 117.4 | ||||
| 1008 | D | 28.6 | Very low | 28.3 | Very low | 101 Ų | 101 | 133 Ų | 133 | 54% | 0.54 | 69% | 0.686 | S | S | . | * | cis | -157.2 | -174.4 | -8.4 | -145.2 | -38.6 | 0 | 0 | 0 | 111.1 | K1010 | D1008-K1010 IonicContact OD1-NZ 3.91Å; D1008-K1010 PolarHBondContact OD1-NZ 3.09Å; D1008-K1010 IonicContact OD2-NZ 2.6Å | ||
| 1009 | I | 30.6 | Very low | 28.3 | Very low | 131 Ų | 131 | 135.1 Ų | 135.1 | 67% | 0.672 | 69% | 0.689 | S | S | * | * | trans | 68.8 | 89.6 | 149.1 | -69.4 | 156.1 | 0 | 0 | 0 | 114.7 | ||||
| 1010 | K | 27.4 | Very low | 28.4 | Very low | 135 Ų | 135 | 136.4 Ų | 136.4 | 59% | 0.587 | 69% | 0.692 | S | S | * | * | 79.8 | 129.2 | 66 | -70.6 | 171.2 | -170.1 | 96.5 | 0 | 113.7 | D1008 | D1008-K1010 IonicContact OD1-NZ 3.91Å; D1008-K1010 PolarHBondContact OD1-NZ 3.09Å; D1008-K1010 IonicContact OD2-NZ 2.6Å | |||
| 1011 | N | 28.1 | Very low | 28.5 | Very low | 124 Ų | 124 | 136.5 Ų | 136.5 | 66% | 0.663 | 69% | 0.689 | S | S | * | * | trans | 60.7 | 141.2 | 142.9 | -47.5 | -12.3 | 0 | 0 | 0 | 117.7 | ||||
| 1012 | H | 29.2 | Very low | 28.7 | Very low | 154 Ų | 154 | 139.6 Ų | 139.6 | 71% | 0.713 | 69% | 0.693 | S | S | * | * | cis | -157.5 | 133.4 | 46.4 | -91.8 | -84.6 | 0 | 0 | 0 | 113.7 | ||||
| 1013 | L | 28.6 | Very low | 28.6 | Very low | 139 Ų | 139 | 141.4 Ų | 141.4 | 73% | 0.728 | 70% | 0.695 | S | S | * | * | trans | 62.8 | 142.5 | 153.7 | -75 | 76.8 | 0 | 0 | 0 | 118.2 | ||||
| 1014 | Y | 32.1 | Very low | 28.6 | Very low | 209 Ų | 209 | 141.2 Ų | 141.2 | 82% | 0.82 | 70% | 0.699 | S | S | * | * | cis | 72.7 | 150.5 | 40.9 | -84.9 | -125.4 | 0 | 0 | 0 | 113.9 | ||||
| 1015 | P | 36.7 | Very low | 28.6 | Very low | 91 Ų | 91 | 139.4 Ų | 139.4 | 59% | 0.591 | 70% | 0.702 | S | S | * | * | cis | -150.5 | -177.6 | -26.4 | 40 | -21.6 | 0 | 0 | 0 | 116.6 | ||||
| 1016 | M | 25.3 | Very low | 28.3 | Very low | 170 Ų | 170 | 136.5 Ų | 136.5 | 84% | 0.837 | 70% | 0.699 | S | S | * | * | trans | 65.5 | 155.7 | 141.9 | -70.8 | -97.9 | -178.7 | 0 | 0 | 118 | ||||
| 1017 | S | 24.9 | Very low | 28.5 | Very low | 83 Ų | 83 | 139.4 Ų | 139.4 | 58% | 0.58 | 72% | 0.715 | S | S | * | * | cis | -164.2 | 173.7 | -14 | 48.2 | 0 | 0 | 0 | 0 | 110 | ||||
| 1018 | S | 24.6 | Very low | 28.3 | Very low | 82 Ų | 82 | 141.3 Ų | 141.3 | 57% | 0.573 | 72% | 0.717 | S | S | * | * | trans | 44.2 | 128.4 | 139.4 | 66.5 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1019 | F | 27.9 | Very low | 28.1 | Very low | 179 Ų | 179 | 141.9 Ų | 141.9 | 79% | 0.785 | 72% | 0.724 | S | S | * | * | -145.1 | 149.6 | 52.6 | -107.6 | -93.4 | 0 | 0 | 0 | 113.6 | |||||
| 1020 | N | 31.5 | Very low | 28 | Very low | 151 Ų | 151 | 146 Ų | 146 | 81% | 0.807 | 73% | 0.733 | S | S | * | * | trans | -83 | -176.1 | 157.8 | -155.9 | -7.2 | 0 | 0 | 0 | 108.2 | ||||
| 1021 | E | 29.3 | Very low | 27.9 | Very low | 142 Ų | 142 | 150.1 Ų | 150.1 | 66% | 0.664 | 75% | 0.746 | S | S | * | * | trans | 96.1 | 137.1 | -173.9 | -60.1 | 176.4 | -157.3 | 0 | 0 | 114.1 | ||||
| 1022 | H | 31.4 | Very low | 27.9 | Very low | 156 Ų | 156 | 151.3 Ų | 151.3 | 72% | 0.722 | 76% | 0.758 | S | S | * | * | cis | -142.7 | 155.2 | -6.1 | -119.9 | -56.1 | 0 | 0 | 0 | 111.2 | ||||
| 1023 | F | 25.5 | Very low | 27.8 | Very low | 183 Ų | 183 | 154.1 Ų | 154.1 | 80% | 0.803 | 76% | 0.763 | S | S | * | * | trans | -54.2 | 143.9 | 169.3 | -73.5 | -113 | 0 | 0 | 0 | 111.5 | ||||
| 1024 | N | 26.7 | Very low | 27.8 | Very low | 158 Ų | 158 | 155.1 Ų | 155.1 | 85% | 0.845 | 76% | 0.763 | S | S | * | * | -159 | 149.3 | 111.9 | -104.9 | -34.5 | 0 | 0 | 0 | 113.9 | |||||
| 1025 | S | 25.9 | Very low | 27.7 | Very low | 99 Ų | 99 | 153.7 Ų | 153.7 | 69% | 0.692 | 76% | 0.763 | S | S | * | * | trans | -86.7 | -174.1 | 169.9 | 58.8 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1026 | S | 24.6 | Very low | 27.3 | Very low | 100 Ų | 100 | 154.6 Ų | 154.6 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | trans | 61.2 | 97.3 | 177.9 | 63.8 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1027 | N | 31.7 | Very low | 27.6 | Very low | 168 Ų | 168 | 155.9 Ų | 155.9 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | -147.6 | 136.8 | 98.6 | -100.7 | -46.3 | 0 | 0 | 0 | 111.7 | |||||
| 1028 | Y | 23.7 | Very low | 27.9 | Very low | 213 Ų | 213 | 158.8 Ų | 158.8 | 84% | 0.835 | 78% | 0.781 | S | S | * | * | trans | -85.5 | 173.1 | -179.6 | -122.9 | -124.7 | 0 | 0 | 0 | 110.6 | ||||
| 1029 | T | 25.7 | Very low | 28.3 | Very low | 112 Ų | 112 | 161.5 Ų | 161.5 | 69% | 0.687 | 78% | 0.784 | S | S | * | * | trans | 52.5 | 100.7 | 161.5 | 49.5 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1030 | Y | 26.9 | Very low | 28.5 | Very low | 218 Ų | 218 | 157.7 Ų | 157.7 | 86% | 0.855 | 78% | 0.78 | S | S | * | * | 174.9 | 42.5 | 118.8 | -107.9 | -80.1 | 0 | 0 | 0 | 114.9 | |||||
| 1031 | Y | 26.1 | Very low | 28.5 | Very low | 221 Ų | 221 | 159.5 Ų | 159.5 | 87% | 0.867 | 78% | 0.781 | S | S | * | * | trans | -134.3 | 69.7 | 177.3 | -99.9 | -82.1 | 0 | 0 | 0 | 114.5 | R1033 | Y1031-R1033 VanDerWaalsContact C-N 3.35Å; Y1031-R1033 PolarHBondContact O-N 3.23Å | ||
| 1032 | T | 27.2 | Very low | 28.6 | Very low | 150 Ų | 150 | 159.3 Ų | 159.3 | 92% | 0.92 | 78% | 0.783 | S | S | * | * | trans | -94.1 | 54.5 | 168.3 | 39.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1033 | R | 27.8 | Very low | 28.8 | Very low | 213 Ų | 213 | 158.1 Ų | 158.1 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | trans | -147.8 | 144.2 | 174 | -115.5 | 177.9 | -175.6 | 170.4 | 2.6 | 110.8 | Y1031 | Y1031-R1033 VanDerWaalsContact C-N 3.35Å; Y1031-R1033 PolarHBondContact O-N 3.23Å | ||
| 1034 | H | 27.8 | Very low | 29.3 | Very low | 159 Ų | 159 | 156.8 Ų | 156.8 | 74% | 0.736 | 77% | 0.77 | S | S | * | * | trans | 65.7 | 100.1 | -176.8 | -61.7 | -92.4 | 0 | 0 | 0 | 117.1 | ||||
| 1035 | H | 29.9 | Very low | 29.6 | Very low | 179 Ų | 179 | 159.9 Ų | 159.9 | 83% | 0.829 | 77% | 0.77 | S | S | * | * | trans | -148.1 | 34.7 | 146.1 | -113.7 | -73.3 | 0 | 0 | 0 | 114 | K1037 | H1035-K1037 PolarHBondContact O-N 3.08Š| ||
| 1036 | S | 29.2 | Very low | 30 | Very low | 110 Ų | 110 | 162.6 Ų | 162.6 | 77% | 0.769 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76.1 | 73.4 | 177.4 | 43.1 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1037 | K | 31.8 | Very low | 30.4 | Very low | 198 Ų | 198 | 162.4 Ų | 162.4 | 86% | 0.861 | 75% | 0.754 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -153.5 | -1.3 | 177.1 | -118.7 | 164.3 | -172.9 | 178.4 | 0 | 119.9 | H1035 | H1035-K1037 PolarHBondContact O-N 3.08Š|
| 1038 | L | 31.4 | Very low | 30.4 | Very low | 143 Ų | 143 | 161.2 Ų | 161.2 | 75% | 0.749 | 74% | 0.743 | S | S | * | * | S | Bend | trans | -125.3 | -14.4 | -172.2 | -92.7 | 163.1 | 0 | 0 | 0 | 117.7 | ||
| 1039 | H | 32 | Very low | 31.2 | Very low | 139 Ų | 139 | 154 Ų | 154 | 64% | 0.644 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.8 | -9.8 | -168.7 | -83.4 | -70.6 | 0 | 0 | 0 | 117.2 | K1041 | H1039-K1041 PolarHBondContact O-N 3.27Š|
| 1040 | S | 32.2 | Very low | 31.7 | Very low | 99 Ų | 99 | 152 Ų | 152 | 69% | 0.692 | 71% | 0.705 | S | S | * | * | H | α-helix | trans | -69.1 | -30.5 | -171.3 | 51 | 0 | 0 | 0 | 0 | 115.1 | ||
| 1041 | K | 31.5 | Very low | 32.2 | Very low | 190 Ų | 190 | 145.9 Ų | 145.9 | 83% | 0.826 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -85 | -9.2 | -173.5 | -79.6 | -161.5 | 169.6 | -163.5 | 0 | 116.3 | H1039 | H1039-K1041 PolarHBondContact O-N 3.27Å |
| 1042 | L | 32.8 | Very low | 32.8 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 72% | 0.717 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -101.1 | -12.7 | -175.2 | -80.5 | 169.6 | 0 | 0 | 0 | 114.8 | ||
| 1043 | Y | 34.6 | Very low | 33.4 | Very low | 131 Ų | 131 | 137.5 Ų | 137.5 | 51% | 0.514 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -91.6 | -32.4 | -171.5 | -91.6 | -79.3 | 0 | 0 | 0 | 114.9 | R1045 K1046 Y1047 | Y1043-R1045 PolarHBondContact O-N 3.03Å; Y1043-K1046 PolarHBondContact O-N 3.35Å; Y1043-K1046 VanDerWaalsContact O-N 3.14Å; Y1043-Y1047 HydrophobicContact CD1-CE1 4.43Å |
| 1044 | E | 35.6 | Very low | 34.2 | Very low | 156 Ų | 156 | 130.3 Ų | 130.3 | 73% | 0.729 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -60.8 | -30.4 | -177 | -66.9 | -179.8 | 135.5 | 0 | 0 | 113.5 | K1046 | E1044-K1046 PolarHBondContact O-N 2.88Š|
| 1045 | R | 33 | Very low | 34.9 | Very low | 222 Ų | 222 | 127.4 Ų | 127.4 | 84% | 0.838 | 62% | 0.615 | S | S | * | * | G | 310 helix | trans | -70.6 | -5.2 | 178.3 | -82 | -173.3 | 172 | -176.7 | -1.9 | 115.2 | Y1043 | Y1043-R1045 PolarHBondContact O-N 3.03Š|
| 1046 | K | 34.9 | Very low | 35.6 | Very low | 157 Ų | 157 | 127.9 Ų | 127.9 | 68% | 0.683 | 61% | 0.609 | S | S | * | * | G | 310 helix | trans | -111.3 | 19 | -180 | -75.4 | -170.9 | 174.7 | -177.9 | 0 | 114.6 | Y1043 E1044 T1049 | Y1043-K1046 PolarHBondContact O-N 3.35Å; Y1043-K1046 VanDerWaalsContact O-N 3.14Å; E1044-K1046 PolarHBondContact O-N 2.88Å; K1046-T1049 PolarHBondContact O-OG1 3.02Å |
| 1047 | Y | 31.6 | Very low | 36.3 | Very low | 96 Ų | 96 | 129.5 Ų | 129.5 | 38% | 0.376 | 60% | 0.602 | S | S | . | * | S | Bend | trans | -107.5 | 12.9 | -169.3 | -64.8 | -23.6 | 0 | 0 | 0 | 117.1 | Y1043 R1105 | Y1043-Y1047 HydrophobicContact CD1-CE1 4.43Å; Y1047-R1105 VanDerWaalsContact CE1-NH1 3.28Å |
| 1048 | Q | 33.3 | Very low | 36.7 | Very low | 143 Ų | 143 | 126.7 Ų | 126.7 | 67% | 0.668 | 59% | 0.586 | S | S | * | * | S | Bend | trans | -110.6 | 9.2 | 170.9 | -74.2 | -170 | -17.3 | 0 | 0 | 114.2 | ||
| 1049 | T | 39.1 | Very low | 37.3 | Very low | 61 Ų | 61 | 125.5 Ų | 125.5 | 37% | 0.374 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -97.6 | -10.6 | -157.4 | 25.1 | 0 | 0 | 0 | 0 | 117 | K1046 R1052 I1053 | K1046-T1049 PolarHBondContact O-OG1 3.02Å; T1049-R1052 CarbonylContact O-C 3.56Å; T1049-R1052 PolarHBondContact O-N 3.15Å; T1049-I1053 VanDerWaalsContact O-CB 3.23Å; T1049-I1053 WeakPolarHBondContact O-CB 3.22Å; T1049-I1053 WeakPolarHBondContact O-CD1 3.44Å; T1049-I1053 WeakPolarHBondContact O-CG1 3.36Å; T1049-I1053 PolarHBondContact O-N 3.33Å |
| 1050 | I | 37 | Very low | 37.8 | Very low | 69 Ų | 69 | 122 Ų | 122 | 35% | 0.354 | 57% | 0.57 | S | S | . | * | H | α-helix | trans | -71.6 | -54.2 | -174.7 | -66.9 | 176 | 0 | 0 | 0 | 112.9 | R1052 I1053 I1054 H1101 | I1050-R1052 PolarHBondContact O-N 2.86Å; I1050-I1053 PolarHBondContact O-N 3.2Å; I1050-I1053 VanDerWaalsContact O-N 3.1Å; I1050-I1054 HydrophobicContact CG2-CD1 4.02Å; I1050-I1054 WeakPolarHBondContact O-CG1 3.4Å; I1050-I1054 PolarHBondContact O-N 2.91Å; I1050-H1101 HydrophobicContact CD1-CB 4.21Å; I1050-H1101 WeakPolarHBondContact CD1-CD2 3.48Å; I1050-H1101 VanDerWaalsContact CD1-CG 3.41Å; I1050-H1101 WeakPolarHBondContact CD1-NE2 3.38Å |
| 1051 | P | 37.8 | Very low | 38.3 | Very low | 91 Ų | 91 | 122.7 Ų | 122.7 | 59% | 0.591 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -57 | -39.1 | 171.9 | -24.9 | 34.8 | 0 | 0 | 0 | 112.1 | I1053 I1054 N1055 | P1051-I1053 PolarHBondContact O-N 3.46Å; P1051-I1054 PolarHBondContact O-N 3.3Å; P1051-N1055 WeakPolarHBondContact O-CB 3.5Å; P1051-N1055 PolarHBondContact O-N 3.21Å |
| 1052 | R | 38.8 | Very low | 39 | Very low | 104 Ų | 104 | 118 Ų | 118 | 39% | 0.392 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -69 | -27.4 | 177 | -75.4 | 178.6 | 169.6 | 153.5 | -3.8 | 114 | Q847 T1049 I1050 R1056 | Q847-R1052 VanDerWaalsContact OE1-NH2 3.07Å; T1049-R1052 CarbonylContact O-C 3.56Å; T1049-R1052 PolarHBondContact O-N 3.15Å; I1050-R1052 PolarHBondContact O-N 2.86Å; R1052-R1056 WeakPolarHBondContact O-CB 3.43Å; R1052-R1056 WeakPolarHBondContact O-CG 3.44Å; R1052-R1056 PolarHBondContact O-N 3.41Å |
| 1053 | I | 40.1 | Very low | 39.3 | Very low | 91 Ų | 91 | 116.5 Ų | 116.5 | 47% | 0.467 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -79.2 | -40.2 | 174.3 | -76.9 | 165.5 | 0 | 0 | 0 | 110.4 | T1049 I1050 P1051 R1056 K1057 | T1049-I1053 VanDerWaalsContact O-CB 3.23Å; T1049-I1053 WeakPolarHBondContact O-CB 3.22Å; T1049-I1053 WeakPolarHBondContact O-CD1 3.44Å; T1049-I1053 WeakPolarHBondContact O-CG1 3.36Å; T1049-I1053 PolarHBondContact O-N 3.33Å; I1050-I1053 PolarHBondContact O-N 3.2Å; I1050-I1053 VanDerWaalsContact O-N 3.1Å; P1051-I1053 PolarHBondContact O-N 3.46Å; I1053-R1056 PolarHBondContact O-N 2.89Å; I1053-K1057 PolarHBondContact O-N 3.02Å |
| 1054 | I | 43.9 | Very low | 39.6 | Very low | 62 Ų | 62 | 113.9 Ų | 113.9 | 32% | 0.318 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -63.2 | -48.8 | 174.8 | -65.3 | 169.1 | 0 | 0 | 0 | 109.6 | I1050 P1051 R1056 K1057 R1058 | I1050-I1054 HydrophobicContact CG2-CD1 4.02Å; I1050-I1054 WeakPolarHBondContact O-CG1 3.4Å; I1050-I1054 PolarHBondContact O-N 2.91Å; P1051-I1054 PolarHBondContact O-N 3.3Å; I1054-R1056 PolarHBondContact O-N 3.49Å; I1054-K1057 PolarHBondContact O-N 2.88Å; I1054-R1058 PolarHBondContact O-N 3.4Å |
| 1055 | N | 43.2 | Very low | 39.7 | Very low | 97 Ų | 97 | 114.9 Ų | 114.9 | 52% | 0.519 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -66.8 | -34.6 | 175.5 | -80.1 | 4.4 | 0 | 0 | 0 | 113 | P1051 R1058 K1059 | P1051-N1055 WeakPolarHBondContact O-CB 3.5Å; P1051-N1055 PolarHBondContact O-N 3.21Å; N1055-R1058 PolarHBondContact O-N 3.45Å; N1055-K1059 WeakPolarHBondContact O-CB 3.16Å; N1055-K1059 PolarHBondContact O-N 2.91Å |
| 1056 | R | 43.2 | Very low | 40 | Very low | 189 Ų | 189 | 111 Ų | 111 | 71% | 0.713 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -68 | -36 | 172.8 | -80.4 | 175 | 177 | -172.7 | -1.8 | 112.9 | R1052 I1053 I1054 A1060 | R1052-R1056 WeakPolarHBondContact O-CB 3.43Å; R1052-R1056 WeakPolarHBondContact O-CG 3.44Å; R1052-R1056 PolarHBondContact O-N 3.41Å; I1053-R1056 PolarHBondContact O-N 2.89Å; I1054-R1056 PolarHBondContact O-N 3.49Å; R1056-A1060 WeakPolarHBondContact O-CB 3.4Å; R1056-A1060 PolarHBondContact O-N 3.18Å |
| 1057 | K | 43.8 | Very low | 40 | Very low | 144 Ų | 144 | 108.7 Ų | 108.7 | 63% | 0.626 | 54% | 0.537 | S | S | * | . | H | α-helix | trans | -65.5 | -46.4 | 171 | -80 | -168 | 172.4 | -170.7 | 0 | 111.3 | I1053 I1054 A1060 Q1061 | I1053-K1057 PolarHBondContact O-N 3.02Å; I1054-K1057 PolarHBondContact O-N 2.88Å; K1057-A1060 PolarHBondContact O-N 3.43Å; K1057-Q1061 WeakPolarHBondContact O-CB 3.28Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.42Å; K1057-Q1061 PolarHBondContact O-N 2.7Å; K1057-Q1061 PolarHBondContact O-OE1 2.83Å |
| 1058 | R | 41.3 | Very low | 40.1 | Very low | 139 Ų | 139 | 111.1 Ų | 111.1 | 53% | 0.525 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -56.9 | -55.3 | 173.6 | -78.1 | -177.9 | 167.6 | 179 | -5.5 | 112.1 | I1054 N1055 A1060 Q1061 I1062 | I1054-R1058 PolarHBondContact O-N 3.4Å; N1055-R1058 PolarHBondContact O-N 3.45Å; R1058-A1060 VanDerWaalsContact C-N 3.31Å; R1058-A1060 PolarHBondContact O-N 3.44Å; R1058-Q1061 PolarHBondContact O-N 3.25Å; R1058-Q1061 VanDerWaalsContact O-N 3.14Å; R1058-I1062 WeakPolarHBondContact O-CB 3.29Å; R1058-I1062 VanDerWaalsContact O-CG1 3.26Å; R1058-I1062 WeakPolarHBondContact O-CG1 3.41Å; R1058-I1062 PolarHBondContact O-N 3.09Å |
| 1059 | K | 42.9 | Very low | 40.4 | Very low | 119 Ų | 119 | 111.9 Ų | 111.9 | 52% | 0.517 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -63.6 | -33.3 | -178.6 | -135.3 | 163.6 | -173.6 | 170.1 | 0 | 111.6 | D845 N1055 N1063 | D845-K1059 IonicContact OD1-NZ 3.31Å; D845-K1059 PolarHBondContact OD1-NZ 2.96Å; D845-K1059 IonicContact OD2-NZ 3.33Å; N1055-K1059 WeakPolarHBondContact O-CB 3.16Å; N1055-K1059 PolarHBondContact O-N 2.91Å; K1059-N1063 WeakPolarHBondContact O-CB 3.4Å; K1059-N1063 PolarHBondContact O-N 3.14Å; K1059-N1063 VanDerWaalsContact O-N 3.12Å; K1059-N1063 PolarHBondContact O-OD1 3.5Å; K1059-N1063 VanDerWaalsContact O-OD1 3.12Å |
| 1060 | A | 43.4 | Very low | 40.1 | Very low | 64 Ų | 64 | 118.8 Ų | 118.8 | 53% | 0.529 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -69.3 | -39.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | R1056 K1057 R1058 S1064 | R1056-A1060 WeakPolarHBondContact O-CB 3.4Å; R1056-A1060 PolarHBondContact O-N 3.18Å; K1057-A1060 PolarHBondContact O-N 3.43Å; R1058-A1060 VanDerWaalsContact C-N 3.31Å; R1058-A1060 PolarHBondContact O-N 3.44Å; A1060-S1064 PolarHBondContact O-N 3.18Å |
| 1061 | Q | 43.5 | Very low | 39.9 | Very low | 114 Ų | 114 | 120.6 Ų | 120.6 | 53% | 0.533 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -72.2 | -40.8 | 176.9 | -72.6 | 174.6 | -61.6 | 0 | 0 | 111.8 | K1057 R1058 N1063 S1064 F1065 | K1057-Q1061 WeakPolarHBondContact O-CB 3.28Å; K1057-Q1061 WeakPolarHBondContact O-CG 3.42Å; K1057-Q1061 PolarHBondContact O-N 2.7Å; K1057-Q1061 PolarHBondContact O-OE1 2.83Å; R1058-Q1061 PolarHBondContact O-N 3.25Å; R1058-Q1061 VanDerWaalsContact O-N 3.14Å; Q1061-N1063 VanDerWaalsContact C-N 3.31Å; Q1061-N1063 PolarHBondContact O-N 3.28Å; Q1061-S1064 WeakPolarHBondContact CA-OG 3.35Å; Q1061-S1064 PolarHBondContact O-N 3.37Å; Q1061-S1064 PolarHBondContact O-OG 3.49Å; Q1061-F1065 WeakPolarHBondContact O-CD2 3.38Å; Q1061-F1065 PolarHBondContact O-N 3.36Å |
| 1062 | I | 44.7 | Very low | 39.8 | Very low | 93 Ų | 93 | 120 Ų | 120 | 48% | 0.477 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -56.8 | -45.7 | 173 | -69.5 | 163.3 | 0 | 0 | 0 | 110.4 | R1058 S1064 F1065 | R1058-I1062 WeakPolarHBondContact O-CB 3.29Å; R1058-I1062 VanDerWaalsContact O-CG1 3.26Å; R1058-I1062 WeakPolarHBondContact O-CG1 3.41Å; R1058-I1062 PolarHBondContact O-N 3.09Å; I1062-S1064 PolarHBondContact O-N 2.79Å; I1062-F1065 PolarHBondContact O-N 3.04Å; I1062-F1065 VanDerWaalsContact O-N 3.08Å |
| 1063 | N | 40.4 | Very low | 39.5 | Very low | 104 Ų | 104 | 124.8 Ų | 124.8 | 56% | 0.556 | 62% | 0.617 | S | S | * | * | H | α-helix | trans | -65.2 | -24.5 | 177.1 | -70.8 | 14.2 | 0 | 0 | 0 | 113.4 | K1059 Q1061 F1065 | K1059-N1063 WeakPolarHBondContact O-CB 3.4Å; K1059-N1063 PolarHBondContact O-N 3.14Å; K1059-N1063 VanDerWaalsContact O-N 3.12Å; K1059-N1063 PolarHBondContact O-OD1 3.5Å; K1059-N1063 VanDerWaalsContact O-OD1 3.12Å; Q1061-N1063 VanDerWaalsContact C-N 3.31Å; Q1061-N1063 PolarHBondContact O-N 3.28Å; N1063-F1065 VanDerWaalsContact C-N 3.33Å |
| 1064 | S | 40.3 | Very low | 39.1 | Very low | 77 Ų | 77 | 132.2 Ų | 132.2 | 54% | 0.538 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -78.5 | -12 | 173.9 | 66 | 0 | 0 | 0 | 0 | 114.6 | A1060 Q1061 I1062 | A1060-S1064 PolarHBondContact O-N 3.18Å; Q1061-S1064 WeakPolarHBondContact CA-OG 3.35Å; Q1061-S1064 PolarHBondContact O-N 3.37Å; Q1061-S1064 PolarHBondContact O-OG 3.49Å; I1062-S1064 PolarHBondContact O-N 2.79Å |
| 1065 | F | 36.8 | Very low | 38.7 | Very low | 177 Ų | 177 | 135.7 Ų | 135.7 | 78% | 0.776 | 66% | 0.655 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -97.1 | -4.3 | 176.5 | -85.7 | -76.8 | 0 | 0 | 0 | 114.2 | Q1061 I1062 N1063 S1067 | Q1061-F1065 WeakPolarHBondContact O-CD2 3.38Å; Q1061-F1065 PolarHBondContact O-N 3.36Å; I1062-F1065 PolarHBondContact O-N 3.04Å; I1062-F1065 VanDerWaalsContact O-N 3.08Å; N1063-F1065 VanDerWaalsContact C-N 3.33Å; F1065-S1067 PolarHBondContact O-N 2.87Å |
| 1066 | Q | 39.3 | Very low | 38.1 | Very low | 139 Ų | 139 | 138.6 Ų | 138.6 | 65% | 0.65 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.9 | 4.2 | -176.8 | -74.9 | -171.1 | -22 | 0 | 0 | 115.3 | ||
| 1067 | S | 35.1 | Very low | 37.5 | Very low | 110 Ų | 110 | 138.1 Ų | 138.1 | 77% | 0.769 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88 | 1.5 | -173.8 | 59.6 | 0 | 0 | 0 | 0 | 115.8 | F1065 | F1065-S1067 PolarHBondContact O-N 2.87Š|
| 1068 | E | 35.2 | Very low | 37 | Very low | 146 Ų | 146 | 134.9 Ų | 134.9 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -122.2 | 104.2 | -177.1 | -125.6 | -175.4 | 156.4 | 0 | 0 | 116.4 | ||
| 1069 | K | 38.7 | Very low | 36.4 | Very low | 160 Ų | 160 | 134 Ų | 134 | 70% | 0.696 | 67% | 0.674 | S | S | * | * | trans | 51.5 | 92.6 | 149 | -64 | 169.6 | -167.9 | 138 | 0 | 119.2 | S1071 | K1069-S1071 PolarHBondContact O-N 3.23Å; K1069-S1071 VanDerWaalsContact O-N 3.13Å; K1069-S1071 PolarHBondContact O-OG 3.16Å | ||
| 1070 | Q | 33.3 | Very low | 36.1 | Very low | 206 Ų | 206 | 135.2 Ų | 135.2 | 96% | 0.963 | 69% | 0.686 | S | S | * | * | S | Bend | trans | 7.7 | 90 | 136.6 | -66.2 | 170.8 | -46.3 | 0 | 0 | 116.9 | ||
| 1071 | S | 32.7 | Very low | 35.6 | Very low | 107 Ų | 107 | 136 Ų | 136 | 75% | 0.748 | 69% | 0.693 | S | S | * | * | trans | -163.6 | -46.8 | 160.5 | 48.9 | 0 | 0 | 0 | 0 | 111.5 | K1069 K1073 | K1069-S1071 PolarHBondContact O-N 3.23Å; K1069-S1071 VanDerWaalsContact O-N 3.13Å; K1069-S1071 PolarHBondContact O-OG 3.16Å; S1071-K1073 PolarHBondContact O-N 3.33Å; S1071-K1073 VanDerWaalsContact O-N 3.13Å | ||
| 1072 | V | 34.4 | Very low | 35.3 | Very low | 79 Ų | 79 | 133.4 Ų | 133.4 | 48% | 0.479 | 69% | 0.687 | S | S | . | * | trans | -85.3 | 85.2 | -175.7 | -172 | 0 | 0 | 0 | 0 | 111.7 | E1075 | V1072-E1075 HydrophobicContact CG1-CB 3.83Å; V1072-E1075 HydrophobicContact CG1-CG 3.95Å; V1072-E1075 VanDerWaalsContact CG1-OE2 3.26Å; V1072-E1075 WeakPolarHBondContact CG1-OE2 3.46Å | ||
| 1073 | K | 33.6 | Very low | 35 | Very low | 203 Ų | 203 | 132.4 Ų | 132.4 | 88% | 0.883 | 68% | 0.683 | S | S | * | * | trans | -112.2 | 20.9 | 176.9 | -142.3 | -176.9 | -176.9 | -172.6 | 0 | 114.4 | S1071 | S1071-K1073 PolarHBondContact O-N 3.33Å; S1071-K1073 VanDerWaalsContact O-N 3.13Å | ||
| 1074 | R | 32.5 | Very low | 34.9 | Very low | 248 Ų | 248 | 131.4 Ų | 131.4 | 94% | 0.936 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -136.4 | -1.8 | -177 | -111.1 | -179.1 | -179.1 | 173 | -0.1 | 116.7 | ||
| 1075 | E | 33.8 | Very low | 34.7 | Very low | 135 Ų | 135 | 138.8 Ų | 138.8 | 63% | 0.631 | 69% | 0.693 | S | S | * | * | trans | -108.6 | 5.3 | -170.9 | -60.7 | -175.6 | 146.9 | 0 | 0 | 115 | V1072 L1077 S1078 | V1072-E1075 HydrophobicContact CG1-CB 3.83Å; V1072-E1075 HydrophobicContact CG1-CG 3.95Å; V1072-E1075 VanDerWaalsContact CG1-OE2 3.26Å; V1072-E1075 WeakPolarHBondContact CG1-OE2 3.46Å; E1075-L1077 PolarHBondContact O-N 3.5Å; E1075-S1078 PolarHBondContact O-N 3.24Å; E1075-S1078 PolarHBondContact O-OG 3.46Å | ||
| 1076 | F | 30.5 | Very low | 34.9 | Very low | 158 Ų | 158 | 134.4 Ų | 134.4 | 69% | 0.693 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71 | -0.4 | -174.1 | -89.3 | -83.8 | 0 | 0 | 0 | 116 | ||
| 1077 | L | 32.3 | Very low | 35.4 | Very low | 178 Ų | 178 | 131.2 Ų | 131.2 | 93% | 0.932 | 67% | 0.665 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.3 | -3.2 | 178.1 | -69.5 | 173 | 0 | 0 | 0 | 114.3 | E1075 | E1075-L1077 PolarHBondContact O-N 3.5Š|
| 1078 | S | 31.9 | Very low | 36.2 | Very low | 77 Ų | 77 | 129.9 Ų | 129.9 | 54% | 0.538 | 65% | 0.649 | S | S | . | * | trans | -102.1 | 28.2 | -177.8 | 71 | 0 | 0 | 0 | 0 | 114.3 | E1075 D1080 A1081 | E1075-S1078 PolarHBondContact O-N 3.24Å; E1075-S1078 PolarHBondContact O-OG 3.46Å; S1078-D1080 VanDerWaalsContact C-N 3.34Å; S1078-D1080 PolarHBondContact O-N 3.19Å; S1078-A1081 PolarHBondContact O-N 2.73Å | ||
| 1079 | L | 30 | Very low | 37 | Very low | 119 Ų | 119 | 131.2 Ų | 131.2 | 62% | 0.623 | 65% | 0.648 | S | S | * | * | G | 310 helix | trans | -67.2 | -29.8 | -166.8 | -157.5 | 72.6 | 0 | 0 | 0 | 113.9 | A1081 S1082 | L1079-A1081 PolarHBondContact O-N 3.23Å; L1079-S1082 WeakPolarHBondContact O-CB 3.42Å; L1079-S1082 PolarHBondContact O-N 3Å; L1079-S1082 PolarHBondContact O-OG 2.85Å |
| 1080 | D | 35.5 | Very low | 37.8 | Very low | 145 Ų | 145 | 130.8 Ų | 130.8 | 78% | 0.775 | 64% | 0.643 | S | S | * | * | G | 310 helix | trans | -59.9 | -32.7 | 177.1 | -80.2 | -23.7 | 0 | 0 | 0 | 113 | S1078 S1082 | S1078-D1080 VanDerWaalsContact C-N 3.34Å; S1078-D1080 PolarHBondContact O-N 3.19Å; D1080-S1082 PolarHBondContact O-N 3.28Å |
| 1081 | A | 33.9 | Very low | 39.1 | Very low | 82 Ų | 82 | 122 Ų | 122 | 68% | 0.678 | 60% | 0.601 | S | S | * | * | G | 310 helix | trans | -69.3 | -13.9 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | S1078 L1079 | S1078-A1081 PolarHBondContact O-N 2.73Å; L1079-A1081 PolarHBondContact O-N 3.23Å |
| 1082 | S | 36.1 | Very low | 40.7 | Very low | 59 Ų | 59 | 118 Ų | 118 | 41% | 0.413 | 57% | 0.573 | S | S | . | * | G | 310 helix | trans | -91.6 | -13.6 | -175.6 | 75.6 | 0 | 0 | 0 | 0 | 114.5 | L1079 D1080 N1084 R1085 | L1079-S1082 WeakPolarHBondContact O-CB 3.42Å; L1079-S1082 PolarHBondContact O-N 3Å; L1079-S1082 PolarHBondContact O-OG 2.85Å; D1080-S1082 PolarHBondContact O-N 3.28Å; S1082-N1084 PolarHBondContact O-N 2.83Å; S1082-R1085 PolarHBondContact O-N 3.11Å |
| 1083 | L | 39 | Very low | 42.4 | Very low | 72 Ų | 72 | 119.1 Ų | 119.1 | 38% | 0.377 | 58% | 0.577 | S | S | . | * | G | 310 helix | trans | -63.7 | -25.6 | -179 | -114.2 | 154.2 | 0 | 0 | 0 | 112.9 | R1085 L1086 | L1083-R1085 PolarHBondContact O-N 3.11Å; L1083-L1086 HydrophobicContact CD2-CD1 3.9Å; L1083-L1086 PolarHBondContact O-N 3.08Å |
| 1084 | N | 37.8 | Very low | 44.2 | Very low | 82 Ų | 82 | 113.8 Ų | 113.8 | 44% | 0.439 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -66.4 | -2.4 | 176 | -62.5 | 0.6 | 0 | 0 | 0 | 114.1 | S1082 | S1082-N1084 PolarHBondContact O-N 2.83Š|
| 1085 | R | 36.4 | Very low | 46.3 | Very low | 233 Ų | 233 | 102.6 Ų | 102.6 | 88% | 0.879 | 52% | 0.515 | S | S | * | . | G | 310 helix | trans | -106.2 | 8.7 | 179.3 | -81 | -175.5 | 160.6 | -168.4 | -4.9 | 115.6 | S1082 L1083 D1087 | S1082-R1085 PolarHBondContact O-N 3.11Å; L1083-R1085 PolarHBondContact O-N 3.11Å; R1085-D1087 PolarHBondContact O-N 2.89Å |
| 1086 | L | 41.3 | Very low | 48.5 | Very low | 85 Ų | 85 | 101.1 Ų | 101.1 | 45% | 0.445 | 51% | 0.507 | S | S | . | . | S | Bend | trans | -77.5 | 115.3 | 170.8 | -78.5 | 168 | 0 | 0 | 0 | 110.9 | L1083 D1088 | L1083-L1086 HydrophobicContact CD2-CD1 3.9Å; L1083-L1086 PolarHBondContact O-N 3.08Å; L1086-D1088 PolarHBondContact O-N 3.26Å |
| 1087 | D | 49.3 | Very low | 50.7 | Low | 72 Ų | 72 | 95.4 Ų | 95.4 | 39% | 0.385 | 49% | 0.492 | S | S | . | . | trans | -50.1 | 125.8 | 173.8 | 172.2 | 14.7 | 0 | 0 | 0 | 110.6 | R1085 R1089 Y1090 | R1085-D1087 PolarHBondContact O-N 2.89Å; D1087-R1089 PolarHBondContact O-N 2.8Å; D1087-R1089 IonicContact OD1-NE 2.61Å; D1087-R1089 IonicContact OD1-NH2 3.6Å; D1087-R1089 IonicContact OD2-CZ 2.87Å; D1087-R1089 IonicContact OD2-NE 3.65Å; D1087-R1089 PolarHBondContact OD2-NE 3.12Å; D1087-R1089 IonicContact OD2-NH2 3.33Å; D1087-R1089 PolarHBondContact OD2-NH2 3.05Å; D1087-Y1090 HydrophobicContact CB-CD2 4.11Å; D1087-Y1090 PolarHBondContact O-N 3.07Å | ||
| 1088 | D | 52.8 | Low | 53.1 | Low | 81 Ų | 81 | 88.3 Ų | 88.3 | 43% | 0.433 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -42.8 | -36.8 | -169.1 | -85.6 | -60.5 | 0 | 0 | 0 | 114.2 | L1086 Y1090 F1091 S1092 Y1213 | L1086-D1088 PolarHBondContact O-N 3.26Å; D1088-Y1090 PolarHBondContact O-N 2.88Å; D1088-F1091 PolarHBondContact O-N 3.13Å; D1088-S1092 WeakPolarHBondContact O-CB 3.42Å; D1088-S1092 PolarHBondContact O-N 3.41Å; D1088-Y1213 VanDerWaalsContact OD1-CE2 3.29Å; D1088-Y1213 WeakPolarHBondContact OD1-CE2 3.37Å; D1088-Y1213 PolarHBondContact OD1-OH 3.37Å |
| 1089 | R | 52 | Low | 55.7 | Low | 175 Ų | 175 | 85.5 Ų | 85.5 | 66% | 0.66 | 43% | 0.434 | S | S | * | . | H | α-helix | trans | -59.5 | -43 | 179.6 | -73.4 | 174.2 | -73.3 | -158 | -2.3 | 112.6 | D1087 S1092 D1093 | D1087-R1089 PolarHBondContact O-N 2.8Å; D1087-R1089 IonicContact OD1-NE 2.61Å; D1087-R1089 IonicContact OD1-NH2 3.6Å; D1087-R1089 IonicContact OD2-CZ 2.87Å; D1087-R1089 IonicContact OD2-NE 3.65Å; D1087-R1089 PolarHBondContact OD2-NE 3.12Å; D1087-R1089 IonicContact OD2-NH2 3.33Å; D1087-R1089 PolarHBondContact OD2-NH2 3.05Å; R1089-S1092 PolarHBondContact O-N 2.93Å; R1089-D1093 PolarHBondContact O-N 2.87Å |
| 1090 | Y | 55.4 | Low | 58.2 | Low | 150 Ų | 150 | 85.4 Ų | 85.4 | 59% | 0.588 | 43% | 0.43 | S | S | * | . | H | α-helix | trans | -70.1 | -33.7 | 179.8 | -69.8 | -83.4 | 0 | 0 | 0 | 112.3 | D1087 D1088 I1094 | D1087-Y1090 HydrophobicContact CB-CD2 4.11Å; D1087-Y1090 PolarHBondContact O-N 3.07Å; D1088-Y1090 PolarHBondContact O-N 2.88Å; Y1090-I1094 WeakPolarHBondContact O-CD1 3.43Å; Y1090-I1094 WeakPolarHBondContact O-CG1 3.43Å; Y1090-I1094 PolarHBondContact O-N 3.48Å |
| 1091 | F | 59.2 | Low | 60.5 | Low | 21 Ų | 21 | 81.1 Ų | 81.1 | 9% | 0.092 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -66.2 | -48 | 174.2 | -166.8 | -79 | 0 | 0 | 0 | 110.6 | D1088 D1093 I1094 H1095 L1165 Y1168 Y1213 | D1088-F1091 PolarHBondContact O-N 3.13Å; F1091-D1093 PolarHBondContact O-N 3.29Å; F1091-I1094 PolarHBondContact O-N 3.09Å; F1091-H1095 AromaticContact CD1-CE1 3.49Å; F1091-H1095 VanDerWaalsContact CD1-CE1 3.49Å; F1091-H1095 WeakPolarHBondContact CD1-CE1 3.3Å; F1091-H1095 AromaticContact CD1-ND1 3.46Å; F1091-H1095 WeakPolarHBondContact CD1-ND1 3.36Å; F1091-H1095 AromaticContact CE1-CE1 3.03Å; F1091-H1095 WeakPolarHBondContact CE1-CE1 3.28Å; F1091-H1095 AromaticContact CE1-ND1 3.43Å; F1091-H1095 WeakPolarHBondContact CE1-ND1 3.41Å; F1091-H1095 AromaticContact CE1-NE2 3.49Å; F1091-H1095 WeakPolarHBondContact CE1-NE2 3.4Å; F1091-H1095 AromaticContact CE2-CE1 3.83Å; F1091-H1095 AromaticContact CZ-CE1 3.24Å; F1091-H1095 WeakPolarHBondContact CZ-CE1 3.29Å; F1091-H1095 AromaticContact CZ-NE2 3.65Å; F1091-H1095 PolarHBondContact O-N 2.89Å; F1091-H1095 PolarHBondContact O-ND1 2.9Å; F1091-L1165 HydrophobicContact CE1-CD2 3.88Å; F1091-L1165 HydrophobicContact CZ-CD2 4.49Å; F1091-Y1168 HydrophobicContact CD2-CD2 4.39Å; F1091-Y1168 HydrophobicContact CD2-CE2 4.14Å; F1091-Y1168 HydrophobicContact CE1-CD1 4.49Å; F1091-Y1168 AromaticContact CE2-CD2 3.71Å; F1091-Y1168 HydrophobicContact CE2-CD2 3.71Å; F1091-Y1168 AromaticContact CE2-CE2 3.92Å; F1091-Y1168 HydrophobicContact CE2-CE2 3.92Å; F1091-Y1168 HydrophobicContact CE2-CG 4.07Å; F1091-Y1168 HydrophobicContact CZ-CD1 4.23Å; F1091-Y1168 HydrophobicContact CZ-CD2 4.01Å; F1091-Y1168 HydrophobicContact CZ-CE2 4.47Å; F1091-Y1168 AromaticContact CZ-CG 3.87Å; F1091-Y1168 HydrophobicContact CZ-CG 3.87Å; F1091-Y1213 HydrophobicContact CD1-CD1 4.34Å; F1091-Y1213 AromaticContact CD1-CE1 3.44Å; F1091-Y1213 HydrophobicContact CD1-CE1 3.44Å; F1091-Y1213 VanDerWaalsContact CD1-CE1 3.44Å; F1091-Y1213 HydrophobicContact CE1-CD1 4.19Å; F1091-Y1213 AromaticContact CE1-CE1 3.56Å; F1091-Y1213 HydrophobicContact CE1-CE1 3.56Å; F1091-Y1213 HydrophobicContact CG-CE1 4.29Å; F1091-Y1213 HydrophobicContact CZ-CE1 4.48Å |
| 1092 | S | 66.7 | Low | 62.9 | Low | 23 Ų | 23 | 77.2 Ų | 77.2 | 16% | 0.161 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -56.6 | -48.5 | 177.6 | 174.5 | 0 | 0 | 0 | 0 | 113 | D1088 R1089 I1094 H1095 K1096 | D1088-S1092 WeakPolarHBondContact O-CB 3.42Å; D1088-S1092 PolarHBondContact O-N 3.41Å; R1089-S1092 PolarHBondContact O-N 2.93Å; S1092-I1094 PolarHBondContact O-N 3.28Å; S1092-H1095 PolarHBondContact O-N 3.43Å; S1092-K1096 WeakPolarHBondContact O-CB 3.48Å; S1092-K1096 PolarHBondContact O-N 3.49Å |
| 1093 | D | 70.7 | Confident | 65.3 | Low | 104 Ų | 104 | 75.3 Ų | 75.3 | 56% | 0.556 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -65.4 | -35.5 | -176.9 | -81.2 | -17.3 | 0 | 0 | 0 | 113.4 | R1089 F1091 G1097 | R1089-D1093 PolarHBondContact O-N 2.87Å; F1091-D1093 PolarHBondContact O-N 3.29Å; D1093-G1097 PolarHBondContact O-N 3.24Å |
| 1094 | I | 72 | Confident | 67.5 | Low | 90 Ų | 90 | 76.2 Ų | 76.2 | 46% | 0.462 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64.8 | -47.3 | 176 | -68.5 | 168.3 | 0 | 0 | 0 | 110.5 | Y1090 F1091 S1092 G1097 I1098 | Y1090-I1094 WeakPolarHBondContact O-CD1 3.43Å; Y1090-I1094 WeakPolarHBondContact O-CG1 3.43Å; Y1090-I1094 PolarHBondContact O-N 3.48Å; F1091-I1094 PolarHBondContact O-N 3.09Å; S1092-I1094 PolarHBondContact O-N 3.28Å; I1094-G1097 PolarHBondContact O-N 2.94Å; I1094-I1098 HydrophobicContact CG2-CD1 4.23Å; I1094-I1098 WeakPolarHBondContact O-CG1 3.48Å; I1094-I1098 PolarHBondContact O-N 3.49Å; I1094-I1098 VanDerWaalsContact O-N 3.16Å |
| 1095 | H | 76.6 | Confident | 69.9 | Low | 14 Ų | 14 | 74.7 Ų | 74.7 | 7% | 0.065 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -65.5 | -41.3 | -179.6 | -72.8 | 71.1 | 0 | 0 | 0 | 111.8 | F1091 S1092 G1097 I1098 L1099 L1161 I1216 | F1091-H1095 AromaticContact CD1-CE1 3.49Å; F1091-H1095 VanDerWaalsContact CD1-CE1 3.49Å; F1091-H1095 WeakPolarHBondContact CD1-CE1 3.3Å; F1091-H1095 AromaticContact CD1-ND1 3.46Å; F1091-H1095 WeakPolarHBondContact CD1-ND1 3.36Å; F1091-H1095 AromaticContact CE1-CE1 3.03Å; F1091-H1095 WeakPolarHBondContact CE1-CE1 3.28Å; F1091-H1095 AromaticContact CE1-ND1 3.43Å; F1091-H1095 WeakPolarHBondContact CE1-ND1 3.41Å; F1091-H1095 AromaticContact CE1-NE2 3.49Å; F1091-H1095 WeakPolarHBondContact CE1-NE2 3.4Å; F1091-H1095 AromaticContact CE2-CE1 3.83Å; F1091-H1095 AromaticContact CZ-CE1 3.24Å; F1091-H1095 WeakPolarHBondContact CZ-CE1 3.29Å; F1091-H1095 AromaticContact CZ-NE2 3.65Å; F1091-H1095 PolarHBondContact O-N 2.89Å; F1091-H1095 PolarHBondContact O-ND1 2.9Å; S1092-H1095 PolarHBondContact O-N 3.43Å; H1095-G1097 PolarHBondContact O-N 3.46Å; H1095-I1098 PolarHBondContact O-N 3.07Å; H1095-L1099 WeakPolarHBondContact O-CG 3.47Å; H1095-L1099 PolarHBondContact O-N 3.5Å; H1095-L1099 VanDerWaalsContact O-N 3.11Å; H1095-L1161 WeakPolarHBondContact CD2-CD1 3.47Å; H1095-I1216 HydrophobicContact CB-CD1 4.04Å; H1095-I1216 HydrophobicContact CB-CG1 4.44Å; H1095-I1216 HydrophobicContact CB-CG2 3.75Å |
| 1096 | K | 78.8 | Confident | 72.4 | Confident | 104 Ų | 104 | 63.8 Ų | 63.8 | 45% | 0.452 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 173.2 | -177.2 | 179.2 | 172.2 | -175.3 | 0 | 112 | S1092 I1098 L1099 E1100 | S1092-K1096 WeakPolarHBondContact O-CB 3.48Å; S1092-K1096 PolarHBondContact O-N 3.49Å; K1096-I1098 VanDerWaalsContact C-N 3.31Å; K1096-I1098 PolarHBondContact O-N 3.19Å; K1096-L1099 PolarHBondContact O-N 3.11Å; K1096-E1100 WeakPolarHBondContact CE-OE1 3.35Å; K1096-E1100 WeakPolarHBondContact O-CG 3.43Å; K1096-E1100 PolarHBondContact O-N 2.92Å |
| 1097 | G | 78 | Confident | 74.5 | Confident | 37 Ų | 37 | 65.2 Ų | 65.2 | 38% | 0.381 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.4 | -33.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 114.2 | D1093 I1094 H1095 H1101 | D1093-G1097 PolarHBondContact O-N 3.24Å; I1094-G1097 PolarHBondContact O-N 2.94Å; H1095-G1097 PolarHBondContact O-N 3.46Å; G1097-H1101 WeakPolarHBondContact O-CB 3.45Å; G1097-H1101 PolarHBondContact O-N 2.9Å; G1097-H1101 VanDerWaalsContact O-N 3.08Å |
| 1098 | I | 82.2 | Confident | 76.2 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 15% | 0.149 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -67.8 | -42.8 | 174.3 | -66.6 | 166.4 | 0 | 0 | 0 | 110.8 | I1094 H1095 K1096 H1101 S1102 L1157 L1161 | I1094-I1098 HydrophobicContact CG2-CD1 4.23Å; I1094-I1098 WeakPolarHBondContact O-CG1 3.48Å; I1094-I1098 PolarHBondContact O-N 3.49Å; I1094-I1098 VanDerWaalsContact O-N 3.16Å; H1095-I1098 PolarHBondContact O-N 3.07Å; K1096-I1098 VanDerWaalsContact C-N 3.31Å; K1096-I1098 PolarHBondContact O-N 3.19Å; I1098-H1101 PolarHBondContact O-N 3.3Å; I1098-S1102 WeakPolarHBondContact O-CB 3.38Å; I1098-S1102 PolarHBondContact O-N 3.45Å; I1098-L1157 HydrophobicContact CG2-CD2 4.24Å; I1098-L1157 HydrophobicContact CG2-CG 4.34Å; I1098-L1161 HydrophobicContact CD1-CD1 3.77Å; I1098-L1161 HydrophobicContact CG2-CD1 4.25Å; I1098-L1161 HydrophobicContact CG2-CD2 4.06Å |
| 1099 | L | 85.6 | Confident | 77.9 | Confident | 19 Ų | 19 | 63.1 Ų | 63.1 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.8 | -46.9 | 178.1 | -67.6 | 168.9 | 0 | 0 | 0 | 112.2 | H1095 K1096 H1101 S1102 G1103 L1158 L1161 I1216 N1219 A1220 L1223 | H1095-L1099 WeakPolarHBondContact O-CG 3.47Å; H1095-L1099 PolarHBondContact O-N 3.5Å; H1095-L1099 VanDerWaalsContact O-N 3.11Å; K1096-L1099 PolarHBondContact O-N 3.11Å; L1099-H1101 VanDerWaalsContact C-N 3.31Å; L1099-H1101 PolarHBondContact O-N 3.28Å; L1099-S1102 PolarHBondContact O-N 2.9Å; L1099-G1103 PolarHBondContact O-N 3.45Å; L1099-L1158 HydrophobicContact CD2-CD2 3.95Å; L1099-L1161 HydrophobicContact CD2-CD2 4.11Å; L1099-L1161 HydrophobicContact CG-CD2 4.32Å; L1099-I1216 HydrophobicContact CD1-CG2 4.07Å; L1099-N1219 HydrophobicContact CD1-CB 3.86Å; L1099-A1220 HydrophobicContact CD2-CB 3.9Å; L1099-L1223 HydrophobicContact CD2-CD2 4.2Å |
| 1100 | E | 83.5 | Confident | 79.5 | Confident | 117 Ų | 117 | 58.6 Ų | 58.6 | 55% | 0.547 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.7 | -39.3 | 175.8 | -71.9 | 177.8 | -175.3 | 0 | 0 | 111.9 | K1096 T1104 | K1096-E1100 WeakPolarHBondContact CE-OE1 3.35Å; K1096-E1100 WeakPolarHBondContact O-CG 3.43Å; K1096-E1100 PolarHBondContact O-N 2.92Å; E1100-T1104 WeakPolarHBondContact O-CG2 3.42Å; E1100-T1104 PolarHBondContact O-N 3.45Å; E1100-T1104 VanDerWaalsContact O-N 3.08Å; E1100-T1104 PolarHBondContact O-OG1 3.22Å |
| 1101 | H | 82.7 | Confident | 80.9 | Confident | 54 Ų | 54 | 55.9 Ų | 55.9 | 25% | 0.25 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | 173.5 | -168.3 | 64.5 | 0 | 0 | 0 | 112.1 | I1050 G1097 I1098 L1099 G1103 T1104 R1105 | I1050-H1101 HydrophobicContact CD1-CB 4.21Å; I1050-H1101 WeakPolarHBondContact CD1-CD2 3.48Å; I1050-H1101 VanDerWaalsContact CD1-CG 3.41Å; I1050-H1101 WeakPolarHBondContact CD1-NE2 3.38Å; G1097-H1101 WeakPolarHBondContact O-CB 3.45Å; G1097-H1101 PolarHBondContact O-N 2.9Å; G1097-H1101 VanDerWaalsContact O-N 3.08Å; I1098-H1101 PolarHBondContact O-N 3.3Å; L1099-H1101 VanDerWaalsContact C-N 3.31Å; L1099-H1101 PolarHBondContact O-N 3.28Å; H1101-G1103 VanDerWaalsContact C-N 3.33Å; H1101-G1103 PolarHBondContact O-N 3.47Å; H1101-T1104 PolarHBondContact O-N 2.94Å; H1101-T1104 PolarHBondContact O-OG1 3.2Å; H1101-R1105 PolarHBondContact CE1-NE 2.91Å; H1101-R1105 VanDerWaalsContact CE1-NE 3.27Å; H1101-R1105 PolarHBondContact NE2-NE 3.39Å; H1101-R1105 WeakPolarHBondContact O-CB 3.46Å; H1101-R1105 WeakPolarHBondContact O-CG 3.28Å; H1101-R1105 PolarHBondContact O-N 3.29Å |
| 1102 | S | 85.9 | Confident | 82.1 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -67.4 | -32.9 | -177.3 | -170.7 | 0 | 0 | 0 | 0 | 112.4 | I1098 L1099 L1106 H1154 L1223 W1227 | I1098-S1102 WeakPolarHBondContact O-CB 3.38Å; I1098-S1102 PolarHBondContact O-N 3.45Å; L1099-S1102 PolarHBondContact O-N 2.9Å; S1102-L1106 PolarHBondContact O-N 3.45Å; S1102-L1106 VanDerWaalsContact O-N 3.15Å; S1102-H1154 PolarHBondContact OG-ND1 2.92Å; S1102-L1223 VanDerWaalsContact CB-CD2 3.47Å; S1102-W1227 PolarHBondContact O-NE1 3.07Å; S1102-W1227 PolarHBondContact OG-NE1 3.02Å; S1102-W1227 VanDerWaalsContact OG-NE1 3.11Å |
| 1103 | G | 84.5 | Confident | 83 | Confident | 19 Ų | 19 | 57.5 Ų | 57.5 | 20% | 0.196 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -73.7 | -41.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 113.8 | L1099 H1101 R1105 L1106 M1107 | L1099-G1103 PolarHBondContact O-N 3.45Å; H1101-G1103 VanDerWaalsContact C-N 3.33Å; H1101-G1103 PolarHBondContact O-N 3.47Å; G1103-R1105 PolarHBondContact O-N 3.45Å; G1103-L1106 PolarHBondContact O-N 3.08Å; G1103-M1107 PolarHBondContact O-N 2.93Å |
| 1104 | T | 86.8 | Confident | 83.5 | Confident | 91 Ų | 91 | 55.8 Ų | 55.8 | 56% | 0.558 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -65.3 | -28.5 | 173.7 | 49.6 | 0 | 0 | 0 | 0 | 112.5 | E1100 H1101 H1108 | E1100-T1104 WeakPolarHBondContact O-CG2 3.42Å; E1100-T1104 PolarHBondContact O-N 3.45Å; E1100-T1104 VanDerWaalsContact O-N 3.08Å; E1100-T1104 PolarHBondContact O-OG1 3.22Å; H1101-T1104 PolarHBondContact O-N 2.94Å; H1101-T1104 PolarHBondContact O-OG1 3.2Å; T1104-H1108 PolarHBondContact O-N 3.25Å |
| 1105 | R | 87.8 | Confident | 83.9 | Confident | 50 Ų | 50 | 56.6 Ų | 56.6 | 19% | 0.189 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -70.2 | -41 | 172 | -73.6 | -71 | -168.4 | -173 | 5.8 | 113.5 | Y1047 H1101 G1103 H1108 A1109 W1227 | Y1047-R1105 VanDerWaalsContact CE1-NH1 3.28Å; H1101-R1105 PolarHBondContact CE1-NE 2.91Å; H1101-R1105 VanDerWaalsContact CE1-NE 3.27Å; H1101-R1105 PolarHBondContact NE2-NE 3.39Å; H1101-R1105 WeakPolarHBondContact O-CB 3.46Å; H1101-R1105 WeakPolarHBondContact O-CG 3.28Å; H1101-R1105 PolarHBondContact O-N 3.29Å; G1103-R1105 PolarHBondContact O-N 3.45Å; R1105-H1108 PolarHBondContact O-N 2.93Å; R1105-A1109 WeakPolarHBondContact O-CB 3.28Å; R1105-A1109 PolarHBondContact O-N 3.34Å; R1105-W1227 HydrophobicContact CB-CH2 4.24Å; R1105-W1227 HydrophobicContact CB-CZ2 3.76Å |
| 1106 | L | 89.5 | Confident | 84 | Confident | 5 Ų | 5 | 57 Ų | 57 | 3% | 0.026 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -58.2 | -52.9 | 175.4 | -179.6 | 73.1 | 0 | 0 | 0 | 110.8 | S1102 G1103 H1108 A1109 E1110 Q1226 W1227 F1230 | S1102-L1106 PolarHBondContact O-N 3.45Å; S1102-L1106 VanDerWaalsContact O-N 3.15Å; G1103-L1106 PolarHBondContact O-N 3.08Å; L1106-H1108 PolarHBondContact O-N 3.44Å; L1106-A1109 WeakPolarHBondContact O-CA 3.26Å; L1106-A1109 WeakPolarHBondContact O-CB 3.49Å; L1106-A1109 PolarHBondContact O-N 2.9Å; L1106-E1110 WeakPolarHBondContact O-CG 3.32Å; L1106-E1110 PolarHBondContact O-N 3.39Å; L1106-Q1226 HydrophobicContact CD2-CB 3.62Å; L1106-Q1226 HydrophobicContact CD2-CG 4.38Å; L1106-W1227 HydrophobicContact CB-CH2 4.5Å; L1106-W1227 HydrophobicContact CB-CZ2 3.94Å; L1106-W1227 HydrophobicContact CD1-CD2 3.86Å; L1106-W1227 HydrophobicContact CD1-CE3 3.94Å; L1106-W1227 HydrophobicContact CD1-CG 4.29Å; L1106-W1227 HydrophobicContact CD1-CZ3 4.32Å; L1106-W1227 VanDerWaalsContact N-CZ2 3.35Å; L1106-F1230 HydrophobicContact CD1-CB 3.87Å; L1106-F1230 HydrophobicContact CD1-CG 4.15Å |
| 1107 | M | 85.4 | Confident | 84 | Confident | 114 Ų | 114 | 52.9 Ų | 52.9 | 56% | 0.562 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -55.1 | -37.7 | 177.2 | -67.9 | -61.4 | -53 | 0 | 0 | 112.7 | G1103 T1111 | G1103-M1107 PolarHBondContact O-N 2.93Å; M1107-T1111 WeakPolarHBondContact O-CB 3.22Å; M1107-T1111 PolarHBondContact O-N 2.96Å; M1107-T1111 PolarHBondContact O-OG1 3.37Å |
| 1108 | H | 84.5 | Confident | 84 | Confident | 103 Ų | 103 | 54 Ų | 54 | 48% | 0.477 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -71.4 | -38.1 | 176 | -174.3 | -74.1 | 0 | 0 | 0 | 112.2 | T1104 R1105 L1106 T1111 Y1112 | T1104-H1108 PolarHBondContact O-N 3.25Å; R1105-H1108 PolarHBondContact O-N 2.93Å; L1106-H1108 PolarHBondContact O-N 3.44Å; H1108-T1111 PolarHBondContact O-N 2.95Å; H1108-Y1112 VanDerWaalsContact O-CB 3.31Å; H1108-Y1112 WeakPolarHBondContact O-CB 3.49Å; H1108-Y1112 PolarHBondContact O-N 2.97Å |
| 1109 | A | 87.2 | Confident | 83.5 | Confident | 6 Ų | 6 | 55.6 Ų | 55.6 | 5% | 0.05 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | R1105 L1106 Y1112 L1113 L1147 W1227 F1230 | R1105-A1109 WeakPolarHBondContact O-CB 3.28Å; R1105-A1109 PolarHBondContact O-N 3.34Å; L1106-A1109 WeakPolarHBondContact O-CA 3.26Å; L1106-A1109 WeakPolarHBondContact O-CB 3.49Å; L1106-A1109 PolarHBondContact O-N 2.9Å; A1109-Y1112 PolarHBondContact O-N 3.3Å; A1109-L1113 WeakPolarHBondContact O-CB 3.23Å; A1109-L1113 PolarHBondContact O-N 3.35Å; A1109-L1147 HydrophobicContact CB-CD2 3.99Å; A1109-W1227 HydrophobicContact CB-CH2 4.13Å; A1109-W1227 HydrophobicContact CB-CZ3 4.21Å; A1109-F1230 HydrophobicContact CB-CE1 3.8Å; A1109-F1230 HydrophobicContact CB-CE2 4.15Å; A1109-F1230 HydrophobicContact CB-CZ 3.58Å |
| 1110 | E | 85.6 | Confident | 82.5 | Confident | 81 Ų | 81 | 59 Ų | 59 | 38% | 0.379 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -59.9 | -47.6 | 171.7 | -69.1 | 175.4 | 170.6 | 0 | 0 | 111.9 | L1106 Y1112 L1113 Q1114 F1230 | L1106-E1110 WeakPolarHBondContact O-CG 3.32Å; L1106-E1110 PolarHBondContact O-N 3.39Å; E1110-Y1112 VanDerWaalsContact C-N 3.28Å; E1110-Y1112 PolarHBondContact O-N 3.49Å; E1110-L1113 PolarHBondContact O-N 3.11Å; E1110-Q1114 WeakPolarHBondContact O-CB 3.29Å; E1110-Q1114 PolarHBondContact O-N 3.01Å; E1110-F1230 HydrophobicContact CG-CD2 3.82Å; E1110-F1230 HydrophobicContact CG-CE2 3.98Å |
| 1111 | T | 86.1 | Confident | 81.7 | Confident | 92 Ų | 92 | 57.7 Ų | 57.7 | 56% | 0.564 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -60.6 | -38.6 | 176.8 | -59.5 | 0 | 0 | 0 | 0 | 111.8 | M1107 H1108 H1115 | M1107-T1111 WeakPolarHBondContact O-CB 3.22Å; M1107-T1111 PolarHBondContact O-N 2.96Å; M1107-T1111 PolarHBondContact O-OG1 3.37Å; H1108-T1111 PolarHBondContact O-N 2.95Å; T1111-H1115 WeakPolarHBondContact O-CB 3.35Å; T1111-H1115 PolarHBondContact O-N 2.9Å |
| 1112 | Y | 84 | Confident | 80.7 | Confident | 73 Ų | 73 | 62.7 Ų | 62.7 | 29% | 0.286 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -70.6 | -41.8 | 177.5 | -174.1 | -99.3 | 0 | 0 | 0 | 112.4 | H1108 A1109 E1110 H1115 L1116 R1143 L1147 | H1108-Y1112 VanDerWaalsContact O-CB 3.31Å; H1108-Y1112 WeakPolarHBondContact O-CB 3.49Å; H1108-Y1112 PolarHBondContact O-N 2.97Å; A1109-Y1112 PolarHBondContact O-N 3.3Å; E1110-Y1112 VanDerWaalsContact C-N 3.28Å; E1110-Y1112 PolarHBondContact O-N 3.49Å; Y1112-H1115 PolarHBondContact O-N 2.76Å; Y1112-L1116 HydrophobicContact CD1-CD1 3.84Å; Y1112-L1116 HydrophobicContact CD1-CG 4.42Å; Y1112-L1116 HydrophobicContact CE1-CD1 3.61Å; Y1112-L1116 HydrophobicContact CE1-CG 4.19Å; Y1112-L1116 PolarHBondContact O-N 3.08Å; Y1112-R1143 HydrophobicContact CE1-CB 4.26Å; Y1112-R1143 WeakPolarHBondContact OH-CD 3.38Å; Y1112-R1143 WeakPolarHBondContact OH-CG 3.18Å; Y1112-L1147 HydrophobicContact CD1-CD1 4.03Å; Y1112-L1147 HydrophobicContact CD1-CD2 3.88Å; Y1112-L1147 HydrophobicContact CD1-CG 3.97Å; Y1112-L1147 HydrophobicContact CE1-CG 4.34Å |
| 1113 | L | 84.8 | Confident | 79.2 | Confident | 5 Ų | 5 | 66.5 Ų | 66.5 | 3% | 0.026 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.4 | -44.7 | 173.1 | -177.4 | 62.3 | 0 | 0 | 0 | 111.1 | A1109 E1110 H1115 L1116 I1117 L1147 F1230 T1233 V1234 I1237 | A1109-L1113 WeakPolarHBondContact O-CB 3.23Å; A1109-L1113 PolarHBondContact O-N 3.35Å; E1110-L1113 PolarHBondContact O-N 3.11Å; L1113-H1115 VanDerWaalsContact C-N 3.31Å; L1113-H1115 PolarHBondContact O-N 2.99Å; L1113-L1116 WeakPolarHBondContact O-CB 3.42Å; L1113-L1116 PolarHBondContact O-N 3.29Å; L1113-L1116 VanDerWaalsContact O-N 3.14Å; L1113-I1117 HydrophobicContact CD1-CD1 4.47Å; L1113-I1117 HydrophobicContact CG-CD1 4.17Å; L1113-I1117 WeakPolarHBondContact O-CG1 3.4Å; L1113-I1117 PolarHBondContact O-N 3.44Å; L1113-L1147 HydrophobicContact CB-CD1 4.05Å; L1113-L1147 HydrophobicContact CD1-CD1 3.98Å; L1113-F1230 HydrophobicContact CB-CE2 4.28Å; L1113-F1230 HydrophobicContact CB-CZ 4.45Å; L1113-F1230 HydrophobicContact CD2-CE2 3.83Å; L1113-F1230 HydrophobicContact CD2-CZ 4.34Å; L1113-T1233 HydrophobicContact CD2-CG2 4.44Å; L1113-V1234 HydrophobicContact CD1-CG2 4.5Å; L1113-V1234 HydrophobicContact CD2-CG2 4.09Å; L1113-I1237 HydrophobicContact CD1-CD1 4.1Å; L1113-I1237 HydrophobicContact CD2-CD1 4.37Å |
| 1114 | Q | 83.1 | Confident | 77.5 | Confident | 68 Ų | 68 | 70.1 Ų | 70.1 | 32% | 0.318 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -66.6 | -32.2 | 176.6 | -167.8 | 65.6 | -16.3 | 0 | 0 | 112.1 | E1110 N1118 | E1110-Q1114 WeakPolarHBondContact O-CB 3.29Å; E1110-Q1114 PolarHBondContact O-N 3.01Å; Q1114-N1118 WeakPolarHBondContact O-CB 3.42Å; Q1114-N1118 PolarHBondContact O-N 3.34Å; Q1114-N1118 VanDerWaalsContact O-N 3.11Å; Q1114-N1118 PolarHBondContact O-ND2 3.08Å |
| 1115 | H | 80 | Confident | 75.4 | Confident | 108 Ų | 108 | 69.8 Ų | 69.8 | 50% | 0.5 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -68.6 | -38.5 | 170.8 | -167 | -28.1 | 0 | 0 | 0 | 112 | T1111 Y1112 L1113 N1118 L1119 | T1111-H1115 WeakPolarHBondContact O-CB 3.35Å; T1111-H1115 PolarHBondContact O-N 2.9Å; Y1112-H1115 PolarHBondContact O-N 2.76Å; L1113-H1115 VanDerWaalsContact C-N 3.31Å; L1113-H1115 PolarHBondContact O-N 2.99Å; H1115-N1118 PolarHBondContact O-N 3.07Å; H1115-L1119 WeakPolarHBondContact O-CG 3.26Å; H1115-L1119 PolarHBondContact O-N 3.2Å |
| 1116 | L | 78.2 | Confident | 73.2 | Confident | 21 Ų | 21 | 71.8 Ų | 71.8 | 11% | 0.11 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -60.6 | -50.9 | 174.6 | -80.9 | 167.5 | 0 | 0 | 0 | 111.7 | Y1112 L1113 N1118 L1119 V1120 R1143 L1147 | Y1112-L1116 HydrophobicContact CD1-CD1 3.84Å; Y1112-L1116 HydrophobicContact CD1-CG 4.42Å; Y1112-L1116 HydrophobicContact CE1-CD1 3.61Å; Y1112-L1116 HydrophobicContact CE1-CG 4.19Å; Y1112-L1116 PolarHBondContact O-N 3.08Å; L1113-L1116 WeakPolarHBondContact O-CB 3.42Å; L1113-L1116 PolarHBondContact O-N 3.29Å; L1113-L1116 VanDerWaalsContact O-N 3.14Å; L1116-N1118 VanDerWaalsContact C-N 3.29Å; L1116-N1118 PolarHBondContact O-N 3.18Å; L1116-L1119 WeakPolarHBondContact O-CB 3.46Å; L1116-L1119 PolarHBondContact O-N 3.5Å; L1116-V1120 PolarHBondContact O-N 3.34Å; L1116-R1143 HydrophobicContact CD1-CB 4.17Å; L1116-R1143 HydrophobicContact CD2-CB 4.25Å; L1116-L1147 HydrophobicContact CD1-CD1 4.13Å |
| 1117 | I | 77.8 | Confident | 70.7 | Confident | 19 Ų | 19 | 80.8 Ų | 80.8 | 10% | 0.097 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -58.4 | -42.8 | 177.9 | -65.7 | 164.8 | 0 | 0 | 0 | 110.6 | L1113 L1119 V1120 K1121 I1237 I1348 | L1113-I1117 HydrophobicContact CD1-CD1 4.47Å; L1113-I1117 HydrophobicContact CG-CD1 4.17Å; L1113-I1117 WeakPolarHBondContact O-CG1 3.4Å; L1113-I1117 PolarHBondContact O-N 3.44Å; I1117-L1119 VanDerWaalsContact C-N 3.34Å; I1117-L1119 PolarHBondContact O-N 3.45Å; I1117-V1120 PolarHBondContact O-N 3.04Å; I1117-K1121 PolarHBondContact O-N 2.89Å; I1117-I1237 HydrophobicContact CD1-CD1 4.46Å; I1117-I1348 HydrophobicContact CD1-CG2 3.93Å |
| 1118 | N | 78 | Confident | 68.4 | Low | 61 Ų | 61 | 84.3 Ų | 84.3 | 33% | 0.326 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -69.2 | -25.2 | 176.5 | -79.3 | -59.1 | 0 | 0 | 0 | 114.4 | Q1114 H1115 L1116 R1122 | Q1114-N1118 WeakPolarHBondContact O-CB 3.42Å; Q1114-N1118 PolarHBondContact O-N 3.34Å; Q1114-N1118 VanDerWaalsContact O-N 3.11Å; Q1114-N1118 PolarHBondContact O-ND2 3.08Å; H1115-N1118 PolarHBondContact O-N 3.07Å; L1116-N1118 VanDerWaalsContact C-N 3.29Å; L1116-N1118 PolarHBondContact O-N 3.18Å; N1118-R1122 WeakPolarHBondContact O-CB 3.23Å; N1118-R1122 WeakPolarHBondContact O-CG 3.39Å; N1118-R1122 PolarHBondContact O-N 3.29Å |
| 1119 | L | 71.7 | Confident | 66.6 | Low | 62 Ų | 62 | 90.4 Ų | 90.4 | 33% | 0.325 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -71.1 | -46.3 | 169.7 | -79 | 165.2 | 0 | 0 | 0 | 110.7 | H1115 L1116 I1117 K1121 R1122 N1123 | H1115-L1119 WeakPolarHBondContact O-CG 3.26Å; H1115-L1119 PolarHBondContact O-N 3.2Å; L1116-L1119 WeakPolarHBondContact O-CB 3.46Å; L1116-L1119 PolarHBondContact O-N 3.5Å; I1117-L1119 VanDerWaalsContact C-N 3.34Å; I1117-L1119 PolarHBondContact O-N 3.45Å; L1119-K1121 PolarHBondContact O-N 2.91Å; L1119-R1122 PolarHBondContact O-N 3.48Å; L1119-N1123 PolarHBondContact O-N 3.05Å; L1119-N1123 PolarHBondContact O-ND2 2.98Å; L1119-N1123 VanDerWaalsContact O-ND2 3.09Å |
| 1120 | V | 65.7 | Low | 64.2 | Low | 90 Ų | 90 | 97.4 Ų | 97.4 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -56.9 | -49.1 | 176.2 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | L1116 I1117 R1122 N1123 S1124 | L1116-V1120 PolarHBondContact O-N 3.34Å; I1117-V1120 PolarHBondContact O-N 3.04Å; V1120-R1122 VanDerWaalsContact C-N 3.33Å; V1120-R1122 PolarHBondContact O-N 2.78Å; V1120-N1123 PolarHBondContact O-N 2.95Å; V1120-N1123 VanDerWaalsContact O-N 3.13Å; V1120-S1124 PolarHBondContact O-N 3.3Å; V1120-S1124 PolarHBondContact O-OG 3.07Å |
| 1121 | K | 66.6 | Low | 62 | Low | 89 Ų | 89 | 98.8 Ų | 98.8 | 39% | 0.387 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.5 | -33.8 | 176.4 | -75.2 | -173.8 | 172.6 | -176.8 | 0 | 114.8 | I1117 L1119 S1124 S1125 T1351 | I1117-K1121 PolarHBondContact O-N 2.89Å; L1119-K1121 PolarHBondContact O-N 2.91Å; K1121-S1124 PolarHBondContact O-OG 3.3Å; K1121-S1125 PolarHBondContact O-N 2.98Å; K1121-S1125 PolarHBondContact O-OG 2.93Å; K1121-T1351 WeakPolarHBondContact CE-O 3.44Å |
| 1122 | R | 62.4 | Low | 59.7 | Low | 159 Ų | 159 | 98.4 Ų | 98.4 | 60% | 0.6 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -74.9 | -32 | 175.6 | -78.9 | 177 | 174.5 | 144.9 | 1.7 | 112.1 | N1118 L1119 V1120 S1125 V1126 | N1118-R1122 WeakPolarHBondContact O-CB 3.23Å; N1118-R1122 WeakPolarHBondContact O-CG 3.39Å; N1118-R1122 PolarHBondContact O-N 3.29Å; L1119-R1122 PolarHBondContact O-N 3.48Å; V1120-R1122 VanDerWaalsContact C-N 3.33Å; V1120-R1122 PolarHBondContact O-N 2.78Å; R1122-S1125 PolarHBondContact O-OG 2.87Å; R1122-V1126 VanDerWaalsContact O-CG2 3.28Å; R1122-V1126 WeakPolarHBondContact O-CG2 3.44Å; R1122-V1126 PolarHBondContact O-N 3.21Å |
| 1123 | N | 54.1 | Low | 57.7 | Low | 80 Ų | 80 | 103.8 Ų | 103.8 | 43% | 0.428 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -78.8 | -24.9 | 178.9 | -63.6 | -28.6 | 0 | 0 | 0 | 113 | L1119 V1120 | L1119-N1123 PolarHBondContact O-N 3.05Å; L1119-N1123 PolarHBondContact O-ND2 2.98Å; L1119-N1123 VanDerWaalsContact O-ND2 3.09Å; V1120-N1123 PolarHBondContact O-N 2.95Å; V1120-N1123 VanDerWaalsContact O-N 3.13Å |
| 1124 | S | 47.5 | Very low | 55.4 | Low | 95 Ų | 95 | 111 Ų | 111 | 66% | 0.664 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -79.6 | -30.2 | 171.1 | 58.9 | 0 | 0 | 0 | 0 | 113.7 | V1120 K1121 | V1120-S1124 PolarHBondContact O-N 3.3Å; V1120-S1124 PolarHBondContact O-OG 3.07Å; K1121-S1124 PolarHBondContact O-OG 3.3Å |
| 1125 | S | 42.9 | Very low | 53.4 | Low | 85 Ų | 85 | 111.4 Ų | 111.4 | 59% | 0.594 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -87.2 | -23.1 | -179.1 | 50.8 | 0 | 0 | 0 | 0 | 115 | K1121 R1122 Q1127 | K1121-S1125 PolarHBondContact O-N 2.98Å; K1121-S1125 PolarHBondContact O-OG 2.93Å; R1122-S1125 PolarHBondContact O-OG 2.87Å; S1125-Q1127 PolarHBondContact O-N 2.85Å |
| 1126 | V | 42.2 | Very low | 51.9 | Low | 92 Ų | 92 | 110.9 Ų | 110.9 | 56% | 0.558 | 55% | 0.554 | S | S | * | * | trans | -83.7 | 98.2 | 179.3 | 175.6 | 0 | 0 | 0 | 0 | 111 | R1122 R1128 | R1122-V1126 VanDerWaalsContact O-CG2 3.28Å; R1122-V1126 WeakPolarHBondContact O-CG2 3.44Å; R1122-V1126 PolarHBondContact O-N 3.21Å; V1126-R1128 HydrophobicContact CG1-CB 4.35Å; V1126-R1128 HydrophobicContact CG1-CG 4.26Å; V1126-R1128 PolarHBondContact O-N 3.06Å | ||
| 1127 | Q | 37.6 | Very low | 50.5 | Low | 193 Ų | 193 | 112.2 Ų | 112.2 | 90% | 0.902 | 56% | 0.564 | S | S | * | * | trans | -67.9 | 28.8 | -172.7 | -149.3 | 178.1 | 26.3 | 0 | 0 | 116.1 | S1125 | S1125-Q1127 PolarHBondContact O-N 2.85Š| ||
| 1128 | R | 37.4 | Very low | 49.4 | Very low | 188 Ų | 188 | 114.7 Ų | 114.7 | 71% | 0.709 | 58% | 0.584 | S | S | * | * | trans | -93.9 | 103.5 | -179.7 | -71.3 | -170.2 | 175.3 | -163.7 | -1.6 | 111.7 | V1126 N1130 L1131 | V1126-R1128 HydrophobicContact CG1-CB 4.35Å; V1126-R1128 HydrophobicContact CG1-CG 4.26Å; V1126-R1128 PolarHBondContact O-N 3.06Å; R1128-N1130 PolarHBondContact O-N 2.71Å; R1128-L1131 PolarHBondContact O-N 2.66Å | ||
| 1129 | R | 44.8 | Very low | 48.8 | Very low | 232 Ų | 232 | 114.9 Ų | 114.9 | 88% | 0.875 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -51.1 | -20.8 | -171.4 | -66 | 178.5 | 179 | 156.3 | -0.2 | 116.7 | ||
| 1130 | N | 38.5 | Very low | 48.6 | Very low | 153 Ų | 153 | 114.8 Ų | 114.8 | 82% | 0.818 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -101.5 | -9.9 | -170.3 | -62.9 | 7.7 | 0 | 0 | 0 | 115 | R1128 | R1128-N1130 PolarHBondContact O-N 2.71Š|
| 1131 | L | 38.3 | Very low | 48.8 | Very low | 109 Ų | 109 | 114.1 Ų | 114.1 | 57% | 0.571 | 57% | 0.568 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | -18.3 | -174.5 | -83.5 | 159.7 | 0 | 0 | 0 | 114.7 | R1128 K1133 Q1134 | R1128-L1131 PolarHBondContact O-N 2.66Å; L1131-K1133 PolarHBondContact O-N 2.82Å; L1131-Q1134 PolarHBondContact O-N 3.3Å |
| 1132 | S | 38.9 | Very low | 49.1 | Very low | 85 Ų | 85 | 116 Ų | 116 | 59% | 0.594 | 58% | 0.578 | S | S | * | * | G | 310 helix | trans | -66.2 | -20.5 | -176.4 | 54 | 0 | 0 | 0 | 0 | 114.4 | Q1134 | S1132-Q1134 VanDerWaalsContact C-N 3.33Å; S1132-Q1134 PolarHBondContact O-N 3.14Å |
| 1133 | K | 40.7 | Very low | 49.7 | Very low | 186 Ų | 186 | 112.2 Ų | 112.2 | 81% | 0.809 | 56% | 0.563 | S | S | * | * | G | 310 helix | trans | -71 | -20.9 | 177.8 | -70.8 | -172.7 | 177.2 | -177.3 | 0 | 114.3 | L1131 | L1131-K1133 PolarHBondContact O-N 2.82Š|
| 1134 | Q | 36.6 | Very low | 50.9 | Low | 156 Ų | 156 | 108.9 Ų | 108.9 | 73% | 0.729 | 55% | 0.546 | S | S | * | . | G | 310 helix | trans | -86 | -12.8 | -173.1 | -111.3 | -177.9 | 1.4 | 0 | 0 | 114.7 | L1131 S1132 N1136 | L1131-Q1134 PolarHBondContact O-N 3.3Å; S1132-Q1134 VanDerWaalsContact C-N 3.33Å; S1132-Q1134 PolarHBondContact O-N 3.14Å; Q1134-N1136 PolarHBondContact O-N 2.91Å; Q1134-N1136 VanDerWaalsContact O-N 3.1Å |
| 1135 | V | 41.1 | Very low | 52.4 | Low | 77 Ų | 77 | 106.6 Ų | 106.6 | 47% | 0.467 | 53% | 0.526 | S | S | . | . | S | Bend | trans | -89.1 | 68.5 | 174.6 | -171.1 | 0 | 0 | 0 | 0 | 108.7 | ||
| 1136 | N | 48.5 | Very low | 54.2 | Low | 97 Ų | 97 | 106.6 Ų | 106.6 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | trans | -49 | 140.6 | -178.9 | -78.7 | -17.4 | 0 | 0 | 0 | 112 | Q1134 S1138 N1139 | Q1134-N1136 PolarHBondContact O-N 2.91Å; Q1134-N1136 VanDerWaalsContact O-N 3.1Å; N1136-S1138 PolarHBondContact O-N 3.05Å; N1136-N1139 HydrophobicContact CB-CB 4.47Å; N1136-N1139 WeakPolarHBondContact O-CB 3.5Å; N1136-N1139 PolarHBondContact O-N 3.45Å | ||
| 1137 | S | 48.8 | Very low | 56.3 | Low | 48 Ų | 48 | 102.7 Ų | 102.7 | 34% | 0.336 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.6 | -23.5 | 176.2 | 49.9 | 0 | 0 | 0 | 0 | 113.4 | N1139 W1140 R1141 | S1137-N1139 VanDerWaalsContact C-N 3.34Å; S1137-W1140 PolarHBondContact O-NE1 2.9Å; S1137-R1141 WeakPolarHBondContact O-CG 3.4Å; S1137-R1141 PolarHBondContact O-N 3.44Å |
| 1138 | S | 55 | Low | 58.7 | Low | 72 Ų | 72 | 95.2 Ų | 95.2 | 50% | 0.503 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -67.5 | -28.7 | 169.8 | 54.7 | 0 | 0 | 0 | 0 | 113.9 | N1136 H1142 | N1136-S1138 PolarHBondContact O-N 3.05Å; S1138-H1142 VanDerWaalsContact O-CB 3.31Å; S1138-H1142 WeakPolarHBondContact O-CB 3.42Å; S1138-H1142 PolarHBondContact O-N 3.31Å |
| 1139 | N | 64.7 | Low | 60.9 | Low | 64 Ų | 64 | 91.5 Ų | 91.5 | 34% | 0.342 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.6 | -29.4 | -174.3 | -162.1 | -10.1 | 0 | 0 | 0 | 112.3 | N1136 S1137 R1143 | N1136-N1139 HydrophobicContact CB-CB 4.47Å; N1136-N1139 WeakPolarHBondContact O-CB 3.5Å; N1136-N1139 PolarHBondContact O-N 3.45Å; S1137-N1139 VanDerWaalsContact C-N 3.34Å; N1139-R1143 WeakPolarHBondContact O-CD 3.45Å; N1139-R1143 WeakPolarHBondContact O-CG 3.14Å; N1139-R1143 PolarHBondContact O-NE 3.22Å; N1139-R1143 VanDerWaalsContact OD1-CZ 3.29Å; N1139-R1143 PolarHBondContact OD1-NE 3.39Å; N1139-R1143 PolarHBondContact OD1-NH2 3.15Å |
| 1140 | W | 68.9 | Low | 62.9 | Low | 60 Ų | 60 | 82.8 Ų | 82.8 | 23% | 0.227 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -77.7 | -43.3 | 168.9 | 69.5 | -108.2 | 0 | 0 | 0 | 111.2 | S1137 H1142 R1143 T1144 Y1238 S1241 | S1137-W1140 PolarHBondContact O-NE1 2.9Å; W1140-H1142 PolarHBondContact O-N 3.17Å; W1140-R1143 PolarHBondContact O-N 3.47Å; W1140-R1143 VanDerWaalsContact O-N 3.09Å; W1140-T1144 PolarHBondContact O-N 2.93Å; W1140-T1144 PolarHBondContact O-OG1 3.49Å; W1140-Y1238 HydrophobicContact CZ3-CD2 4.36Å; W1140-S1241 WeakPolarHBondContact CH2-OG 3.25Å; W1140-S1241 WeakPolarHBondContact CZ3-OG 3.49Å |
| 1141 | R | 69.9 | Low | 65.2 | Low | 77 Ų | 77 | 75.5 Ų | 75.5 | 29% | 0.291 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -52.8 | -56 | 177.5 | -80.1 | -178.9 | 172.1 | 156.7 | 0.6 | 111.6 | S1137 R1143 T1144 D1145 N1242 | S1137-R1141 WeakPolarHBondContact O-CG 3.4Å; S1137-R1141 PolarHBondContact O-N 3.44Å; R1141-R1143 PolarHBondContact O-N 3.25Å; R1141-T1144 WeakPolarHBondContact CA-OG1 3.45Å; R1141-T1144 PolarHBondContact O-N 3.08Å; R1141-T1144 PolarHBondContact O-OG1 3.38Å; R1141-D1145 WeakPolarHBondContact O-CB 3.5Å; R1141-D1145 PolarHBondContact O-N 3.2Å; R1141-N1242 PolarHBondContact NE-OD1 3.17Å; R1141-N1242 PolarHBondContact NH2-OD1 3.06Å |
| 1142 | H | 71.7 | Confident | 67.4 | Low | 129 Ų | 129 | 74.2 Ų | 74.2 | 60% | 0.597 | 38% | 0.376 | S | S | * | . | H | α-helix | trans | -57.1 | -28.9 | -178.8 | -173.9 | 44.8 | 0 | 0 | 0 | 113.6 | S1138 W1140 L1146 | S1138-H1142 VanDerWaalsContact O-CB 3.31Å; S1138-H1142 WeakPolarHBondContact O-CB 3.42Å; S1138-H1142 PolarHBondContact O-N 3.31Å; W1140-H1142 PolarHBondContact O-N 3.17Å; H1142-L1146 VanDerWaalsContact O-CB 3.31Å; H1142-L1146 WeakPolarHBondContact O-CB 3.28Å; H1142-L1146 PolarHBondContact O-N 2.76Å; H1142-L1146 VanDerWaalsContact O-N 3.14Å |
| 1143 | R | 76.7 | Confident | 69.6 | Low | 79 Ų | 79 | 72.9 Ų | 72.9 | 30% | 0.298 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -83.7 | -33.3 | 177.8 | -64.4 | 173.5 | -166.5 | -141.6 | 0.8 | 113.1 | Y1112 L1116 N1139 W1140 R1141 L1147 | Y1112-R1143 HydrophobicContact CE1-CB 4.26Å; Y1112-R1143 WeakPolarHBondContact OH-CD 3.38Å; Y1112-R1143 WeakPolarHBondContact OH-CG 3.18Å; L1116-R1143 HydrophobicContact CD1-CB 4.17Å; L1116-R1143 HydrophobicContact CD2-CB 4.25Å; N1139-R1143 WeakPolarHBondContact O-CD 3.45Å; N1139-R1143 WeakPolarHBondContact O-CG 3.14Å; N1139-R1143 PolarHBondContact O-NE 3.22Å; N1139-R1143 VanDerWaalsContact OD1-CZ 3.29Å; N1139-R1143 PolarHBondContact OD1-NE 3.39Å; N1139-R1143 PolarHBondContact OD1-NH2 3.15Å; W1140-R1143 PolarHBondContact O-N 3.47Å; W1140-R1143 VanDerWaalsContact O-N 3.09Å; R1141-R1143 PolarHBondContact O-N 3.25Å; R1143-L1147 PolarHBondContact O-N 3.33Å; R1143-L1147 VanDerWaalsContact O-N 3.1Å |
| 1144 | T | 78.6 | Confident | 71.8 | Confident | 9 Ų | 9 | 65 Ų | 65 | 6% | 0.055 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -73.1 | -37.3 | 170.9 | 44.9 | 0 | 0 | 0 | 0 | 111.7 | W1140 R1141 L1146 L1147 L1148 | W1140-T1144 PolarHBondContact O-N 2.93Å; W1140-T1144 PolarHBondContact O-OG1 3.49Å; R1141-T1144 WeakPolarHBondContact CA-OG1 3.45Å; R1141-T1144 PolarHBondContact O-N 3.08Å; R1141-T1144 PolarHBondContact O-OG1 3.38Å; T1144-L1146 VanDerWaalsContact C-N 3.33Å; T1144-L1146 PolarHBondContact O-N 3.18Å; T1144-L1147 PolarHBondContact O-N 3.39Å; T1144-L1148 WeakPolarHBondContact O-CB 3.49Å; T1144-L1148 PolarHBondContact O-N 2.83Å |
| 1145 | D | 78.3 | Confident | 74.2 | Confident | 47 Ų | 47 | 59.1 Ų | 59.1 | 25% | 0.251 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.6 | -44.3 | 171.6 | -60.3 | -39.3 | 0 | 0 | 0 | 110.3 | R1141 L1148 Q1149 Y1238 | R1141-D1145 WeakPolarHBondContact O-CB 3.5Å; R1141-D1145 PolarHBondContact O-N 3.2Å; D1145-L1148 PolarHBondContact O-N 3.25Å; D1145-Q1149 WeakPolarHBondContact O-CG 3.41Å; D1145-Q1149 PolarHBondContact O-N 3.42Å; D1145-Y1238 WeakPolarHBondContact OD1-CE2 3.27Å; D1145-Y1238 PolarHBondContact OD1-OH 3.17Å; D1145-Y1238 VanDerWaalsContact OD1-OH 3.12Å |
| 1146 | L | 81.6 | Confident | 76.4 | Confident | 86 Ų | 86 | 62.5 Ų | 62.5 | 45% | 0.45 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -64.7 | -38.9 | 176.9 | -176.7 | 65.9 | 0 | 0 | 0 | 112.9 | H1142 T1144 T1150 | H1142-L1146 VanDerWaalsContact O-CB 3.31Å; H1142-L1146 WeakPolarHBondContact O-CB 3.28Å; H1142-L1146 PolarHBondContact O-N 2.76Å; H1142-L1146 VanDerWaalsContact O-N 3.14Å; T1144-L1146 VanDerWaalsContact C-N 3.33Å; T1144-L1146 PolarHBondContact O-N 3.18Å; L1146-T1150 WeakPolarHBondContact O-CB 3.44Å; L1146-T1150 PolarHBondContact O-N 3.25Å; L1146-T1150 PolarHBondContact O-OG1 3.15Å |
| 1147 | L | 85.6 | Confident | 78.1 | Confident | 10 Ų | 10 | 61.5 Ų | 61.5 | 5% | 0.052 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -63.1 | -42.9 | 172.5 | -82.7 | 180 | 0 | 0 | 0 | 111.6 | A1109 Y1112 L1113 L1116 R1143 T1144 T1150 A1151 F1230 V1234 | A1109-L1147 HydrophobicContact CB-CD2 3.99Å; Y1112-L1147 HydrophobicContact CD1-CD1 4.03Å; Y1112-L1147 HydrophobicContact CD1-CD2 3.88Å; Y1112-L1147 HydrophobicContact CD1-CG 3.97Å; Y1112-L1147 HydrophobicContact CE1-CG 4.34Å; L1113-L1147 HydrophobicContact CB-CD1 4.05Å; L1113-L1147 HydrophobicContact CD1-CD1 3.98Å; L1116-L1147 HydrophobicContact CD1-CD1 4.13Å; R1143-L1147 PolarHBondContact O-N 3.33Å; R1143-L1147 VanDerWaalsContact O-N 3.1Å; T1144-L1147 PolarHBondContact O-N 3.39Å; L1147-T1150 WeakPolarHBondContact O-CB 3.3Å; L1147-T1150 PolarHBondContact O-N 2.73Å; L1147-A1151 PolarHBondContact O-N 3.48Å; L1147-F1230 HydrophobicContact CD1-CZ 4.26Å; L1147-F1230 HydrophobicContact CD2-CE1 4.27Å; L1147-F1230 HydrophobicContact CD2-CZ 3.98Å; L1147-V1234 HydrophobicContact CB-CG1 4.34Å; L1147-V1234 HydrophobicContact CB-CG2 4.47Å; L1147-V1234 HydrophobicContact CD1-CG2 4.43Å |
| 1148 | L | 87.3 | Confident | 80 | Confident | 35 Ų | 35 | 59.2 Ų | 59.2 | 18% | 0.183 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.6 | -47.3 | 179.9 | -175.3 | 60.9 | 0 | 0 | 0 | 111.5 | T1144 D1145 T1150 A1151 E1152 S1231 V1234 R1235 | T1144-L1148 WeakPolarHBondContact O-CB 3.49Å; T1144-L1148 PolarHBondContact O-N 2.83Å; D1145-L1148 PolarHBondContact O-N 3.25Å; L1148-T1150 VanDerWaalsContact C-N 3.26Å; L1148-T1150 PolarHBondContact O-N 3.03Å; L1148-A1151 PolarHBondContact O-N 3.33Å; L1148-A1151 VanDerWaalsContact O-N 3.11Å; L1148-E1152 HydrophobicContact CD1-CG 4.4Å; L1148-E1152 WeakPolarHBondContact O-CG 3.14Å; L1148-E1152 PolarHBondContact O-N 3.12Å; L1148-S1231 WeakPolarHBondContact CD1-OG 3.49Å; L1148-V1234 HydrophobicContact CB-CG1 4.33Å; L1148-R1235 HydrophobicContact CD1-CG 3.85Å; L1148-R1235 HydrophobicContact CD2-CG 4.29Å |
| 1149 | Q | 85 | Confident | 81.5 | Confident | 111 Ų | 111 | 56.9 Ų | 56.9 | 52% | 0.519 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -58.9 | -36.9 | 174 | -72.2 | 175.6 | 4.7 | 0 | 0 | 112.2 | D1145 A1153 | D1145-Q1149 WeakPolarHBondContact O-CG 3.41Å; D1145-Q1149 PolarHBondContact O-N 3.42Å; Q1149-A1153 VanDerWaalsContact O-CB 3.3Å; Q1149-A1153 WeakPolarHBondContact O-CB 3.49Å; Q1149-A1153 PolarHBondContact O-N 3.16Å |
| 1150 | T | 85.4 | Confident | 82.4 | Confident | 48 Ų | 48 | 57.7 Ų | 57.7 | 29% | 0.294 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 174.5 | -57 | 0 | 0 | 0 | 0 | 111.1 | L1146 L1147 L1148 A1153 H1154 W1227 | L1146-T1150 WeakPolarHBondContact O-CB 3.44Å; L1146-T1150 PolarHBondContact O-N 3.25Å; L1146-T1150 PolarHBondContact O-OG1 3.15Å; L1147-T1150 WeakPolarHBondContact O-CB 3.3Å; L1147-T1150 PolarHBondContact O-N 2.73Å; L1148-T1150 VanDerWaalsContact C-N 3.26Å; L1148-T1150 PolarHBondContact O-N 3.03Å; T1150-A1153 PolarHBondContact O-N 3.07Å; T1150-H1154 PolarHBondContact O-CD2 2.75Å; T1150-H1154 PolarHBondContact O-N 3.15Å; T1150-W1227 HydrophobicContact CG2-CH2 4.19Å |
| 1151 | A | 87.1 | Confident | 83 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -64 | -45.4 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1147 L1148 A1153 H1154 V1155 W1227 F1230 | L1147-A1151 PolarHBondContact O-N 3.48Å; L1148-A1151 PolarHBondContact O-N 3.33Å; L1148-A1151 VanDerWaalsContact O-N 3.11Å; A1151-A1153 PolarHBondContact O-N 3.04Å; A1151-H1154 PolarHBondContact O-N 2.69Å; A1151-V1155 WeakPolarHBondContact O-CG2 3.47Å; A1151-V1155 PolarHBondContact O-N 2.88Å; A1151-W1227 HydrophobicContact CB-CE3 3.73Å; A1151-W1227 HydrophobicContact CB-CZ3 3.95Å; A1151-F1230 HydrophobicContact CB-CD1 4.1Å |
| 1152 | E | 85.5 | Confident | 83.7 | Confident | 82 Ų | 82 | 52.8 Ų | 52.8 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.8 | -38.3 | 179 | -70 | 172.8 | 174.9 | 0 | 0 | 111.9 | L1148 V1155 K1156 R1235 | L1148-E1152 HydrophobicContact CD1-CG 4.4Å; L1148-E1152 WeakPolarHBondContact O-CG 3.14Å; L1148-E1152 PolarHBondContact O-N 3.12Å; E1152-V1155 PolarHBondContact O-N 2.97Å; E1152-K1156 WeakPolarHBondContact O-CB 3.29Å; E1152-K1156 PolarHBondContact O-N 3.1Å; E1152-R1235 IonicContact OE1-CZ 3.99Å; E1152-R1235 IonicContact OE1-NE 2.73Å; E1152-R1235 IonicContact OE1-NH2 2.95Å; E1152-R1235 PolarHBondContact OE1-NH2 3.22Å |
| 1153 | A | 85.3 | Confident | 84.1 | Confident | 58 Ų | 58 | 51.2 Ų | 51.2 | 48% | 0.479 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.9 | -40.4 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Q1149 T1150 A1151 K1156 L1157 | Q1149-A1153 VanDerWaalsContact O-CB 3.3Å; Q1149-A1153 WeakPolarHBondContact O-CB 3.49Å; Q1149-A1153 PolarHBondContact O-N 3.16Å; T1150-A1153 PolarHBondContact O-N 3.07Å; A1151-A1153 PolarHBondContact O-N 3.04Å; A1153-K1156 PolarHBondContact O-N 3.38Å; A1153-L1157 WeakPolarHBondContact O-CB 3.44Å; A1153-L1157 PolarHBondContact O-N 2.91Å |
| 1154 | H | 87 | Confident | 84 | Confident | 20 Ų | 20 | 51.9 Ų | 51.9 | 9% | 0.093 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.4 | -36.4 | 176.6 | -88.2 | -90.3 | 0 | 0 | 0 | 113.1 | S1102 T1150 A1151 L1157 L1158 W1227 | S1102-H1154 PolarHBondContact OG-ND1 2.92Å; T1150-H1154 PolarHBondContact O-CD2 2.75Å; T1150-H1154 PolarHBondContact O-N 3.15Å; A1151-H1154 PolarHBondContact O-N 2.69Å; H1154-L1157 PolarHBondContact O-N 3.28Å; H1154-L1158 WeakPolarHBondContact O-CB 3.48Å; H1154-L1158 WeakPolarHBondContact O-CG 3.22Å; H1154-L1158 PolarHBondContact O-N 3.05Å; H1154-W1227 HydrophobicContact CB-CD2 3.72Å; H1154-W1227 VanDerWaalsContact CB-CE2 3.48Å; H1154-W1227 HydrophobicContact CB-CE3 4.25Å; H1154-W1227 HydrophobicContact CB-CG 4.06Å; H1154-W1227 HydrophobicContact CB-CH2 4.31Å; H1154-W1227 HydrophobicContact CB-CZ2 3.79Å; H1154-W1227 AromaticContact CD2-CH2 3.96Å; H1154-W1227 AromaticContact CD2-CZ2 3.72Å; H1154-W1227 AromaticContact CG-CE2 3.61Å; H1154-W1227 AromaticContact CG-CZ2 3.44Å; H1154-W1227 VanDerWaalsContact CG-CZ2 3.44Å; H1154-W1227 AromaticContact CG-NE1 3.93Å; H1154-W1227 AromaticContact ND1-CE2 3.85Å; H1154-W1227 AromaticContact ND1-CZ2 3.69Å; H1154-W1227 AromaticContact ND1-NE1 3.82Å |
| 1155 | V | 86.8 | Confident | 83.9 | Confident | 32 Ų | 32 | 51.5 Ų | 51.5 | 19% | 0.194 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -39 | 172.3 | 173.2 | 0 | 0 | 0 | 0 | 111.1 | A1151 E1152 S1159 W1227 I1228 | A1151-V1155 WeakPolarHBondContact O-CG2 3.47Å; A1151-V1155 PolarHBondContact O-N 2.88Å; E1152-V1155 PolarHBondContact O-N 2.97Å; V1155-S1159 WeakPolarHBondContact O-CB 3.37Å; V1155-S1159 PolarHBondContact O-N 3.27Å; V1155-S1159 PolarHBondContact O-OG 2.96Å; V1155-W1227 HydrophobicContact CG2-CB 3.74Å; V1155-I1228 HydrophobicContact CG1-CG1 4.47Å; V1155-I1228 HydrophobicContact CG2-CG1 4.08Å |
| 1156 | K | 86.6 | Confident | 83.8 | Confident | 148 Ų | 148 | 56 Ų | 56 | 64% | 0.643 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.6 | -50.2 | 173.6 | -170.1 | 173.4 | -177.8 | -179.9 | 0 | 111.1 | E1152 A1153 L1158 S1159 N1160 | E1152-K1156 WeakPolarHBondContact O-CB 3.29Å; E1152-K1156 PolarHBondContact O-N 3.1Å; A1153-K1156 PolarHBondContact O-N 3.38Å; K1156-L1158 VanDerWaalsContact C-N 3.3Å; K1156-L1158 PolarHBondContact O-N 2.74Å; K1156-S1159 WeakPolarHBondContact O-CB 3.34Å; K1156-S1159 PolarHBondContact O-N 3.19Å; K1156-N1160 PolarHBondContact O-N 3.33Å; K1156-N1160 PolarHBondContact O-OD1 2.9Å; K1156-N1160 VanDerWaalsContact O-OD1 3.04Å |
| 1157 | L | 85.2 | Confident | 83.3 | Confident | 76 Ų | 76 | 55.6 Ų | 55.6 | 40% | 0.398 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -53.4 | -44.7 | 176.6 | 179.5 | 66 | 0 | 0 | 0 | 112.6 | I1098 A1153 H1154 S1159 L1161 | I1098-L1157 HydrophobicContact CG2-CD2 4.24Å; I1098-L1157 HydrophobicContact CG2-CG 4.34Å; A1153-L1157 WeakPolarHBondContact O-CB 3.44Å; A1153-L1157 PolarHBondContact O-N 2.91Å; H1154-L1157 PolarHBondContact O-N 3.28Å; L1157-S1159 VanDerWaalsContact C-N 3.34Å; L1157-L1161 WeakPolarHBondContact O-CB 3.41Å; L1157-L1161 PolarHBondContact O-N 3.02Å |
| 1158 | L | 87.1 | Confident | 82.2 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -73.9 | -22.3 | 178.2 | -70.5 | 168.7 | 0 | 0 | 0 | 113.6 | L1099 H1154 K1156 L1161 L1162 L1223 K1224 | L1099-L1158 HydrophobicContact CD2-CD2 3.95Å; H1154-L1158 WeakPolarHBondContact O-CB 3.48Å; H1154-L1158 WeakPolarHBondContact O-CG 3.22Å; H1154-L1158 PolarHBondContact O-N 3.05Å; K1156-L1158 VanDerWaalsContact C-N 3.3Å; K1156-L1158 PolarHBondContact O-N 2.74Å; L1158-L1161 HydrophobicContact CD2-CD2 4.38Å; L1158-L1162 WeakPolarHBondContact O-CD1 3.5Å; L1158-L1162 VanDerWaalsContact O-CG 3.3Å; L1158-L1162 WeakPolarHBondContact O-CG 3.39Å; L1158-L1162 PolarHBondContact O-N 3.15Å; L1158-L1223 HydrophobicContact CD1-CB 4.05Å; L1158-L1223 HydrophobicContact CD1-CD2 4.21Å; L1158-L1223 HydrophobicContact CD1-CG 4.25Å; L1158-L1223 HydrophobicContact CD2-CD2 4.15Å; L1158-K1224 HydrophobicContact CB-CB 4.25Å; L1158-K1224 HydrophobicContact CD1-CB 4.23Å |
| 1159 | S | 86.8 | Confident | 81 | Confident | 24 Ų | 24 | 57 Ų | 57 | 17% | 0.168 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -76.1 | -51.3 | 173.2 | -56.1 | 0 | 0 | 0 | 0 | 110.3 | V1155 K1156 L1157 L1161 L1162 D1163 K1224 | V1155-S1159 WeakPolarHBondContact O-CB 3.37Å; V1155-S1159 PolarHBondContact O-N 3.27Å; V1155-S1159 PolarHBondContact O-OG 2.96Å; K1156-S1159 WeakPolarHBondContact O-CB 3.34Å; K1156-S1159 PolarHBondContact O-N 3.19Å; L1157-S1159 VanDerWaalsContact C-N 3.34Å; S1159-L1161 VanDerWaalsContact C-N 3.25Å; S1159-L1161 PolarHBondContact O-N 3.38Å; S1159-L1162 WeakPolarHBondContact O-CA 3.48Å; S1159-L1162 WeakPolarHBondContact O-CB 3.3Å; S1159-L1162 PolarHBondContact O-N 3.42Å; S1159-D1163 PolarHBondContact O-N 3.41Å; S1159-D1163 VanDerWaalsContact O-OD2 3.12Å; S1159-K1224 WeakPolarHBondContact OG-CE 3.33Å; S1159-K1224 PolarHBondContact OG-NZ 3.36Å |
| 1160 | N | 83.4 | Confident | 79.6 | Confident | 80 Ų | 80 | 55.2 Ų | 55.2 | 43% | 0.428 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -50 | -45.9 | 170.7 | -76.5 | 65 | 0 | 0 | 0 | 111.7 | K1156 L1162 D1163 D1164 | K1156-N1160 PolarHBondContact O-N 3.33Å; K1156-N1160 PolarHBondContact O-OD1 2.9Å; K1156-N1160 VanDerWaalsContact O-OD1 3.04Å; N1160-L1162 VanDerWaalsContact C-N 3.29Å; N1160-L1162 PolarHBondContact O-N 3.35Å; N1160-D1163 PolarHBondContact O-N 3.13Å; N1160-D1163 VanDerWaalsContact O-N 3.16Å; N1160-D1164 WeakPolarHBondContact O-CB 3.49Å; N1160-D1164 VanDerWaalsContact O-CG 3.23Å; N1160-D1164 PolarHBondContact O-N 3.12Å |
| 1161 | L | 81.8 | Confident | 77.8 | Confident | 6 Ų | 6 | 55 Ų | 55 | 3% | 0.031 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -37 | 177.3 | -164.1 | 74.6 | 0 | 0 | 0 | 113.1 | H1095 I1098 L1099 L1157 L1158 S1159 L1165 A1220 | H1095-L1161 WeakPolarHBondContact CD2-CD1 3.47Å; I1098-L1161 HydrophobicContact CD1-CD1 3.77Å; I1098-L1161 HydrophobicContact CG2-CD1 4.25Å; I1098-L1161 HydrophobicContact CG2-CD2 4.06Å; L1099-L1161 HydrophobicContact CD2-CD2 4.11Å; L1099-L1161 HydrophobicContact CG-CD2 4.32Å; L1157-L1161 WeakPolarHBondContact O-CB 3.41Å; L1157-L1161 PolarHBondContact O-N 3.02Å; L1158-L1161 HydrophobicContact CD2-CD2 4.38Å; S1159-L1161 VanDerWaalsContact C-N 3.25Å; S1159-L1161 PolarHBondContact O-N 3.38Å; L1161-L1165 HydrophobicContact CG-CD1 4.35Å; L1161-L1165 WeakPolarHBondContact O-CB 3.38Å; L1161-L1165 VanDerWaalsContact O-CD1 3.25Å; L1161-L1165 WeakPolarHBondContact O-CD1 3.37Å; L1161-L1165 WeakPolarHBondContact O-CG 3.35Å; L1161-L1165 PolarHBondContact O-N 2.82Å; L1161-L1165 VanDerWaalsContact O-N 3.08Å; L1161-A1220 HydrophobicContact CD2-CB 4.4Å |
| 1162 | L | 85.2 | Confident | 75.9 | Confident | 28 Ų | 28 | 57 Ų | 57 | 15% | 0.147 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -74.4 | -34.5 | 176.7 | -74.9 | 164.9 | 0 | 0 | 0 | 111.9 | L1158 S1159 N1160 K1166 I1217 A1220 L1221 K1224 | L1158-L1162 WeakPolarHBondContact O-CD1 3.5Å; L1158-L1162 VanDerWaalsContact O-CG 3.3Å; L1158-L1162 WeakPolarHBondContact O-CG 3.39Å; L1158-L1162 PolarHBondContact O-N 3.15Å; S1159-L1162 WeakPolarHBondContact O-CA 3.48Å; S1159-L1162 WeakPolarHBondContact O-CB 3.3Å; S1159-L1162 PolarHBondContact O-N 3.42Å; N1160-L1162 VanDerWaalsContact C-N 3.29Å; N1160-L1162 PolarHBondContact O-N 3.35Å; L1162-K1166 WeakPolarHBondContact O-CB 3.38Å; L1162-K1166 PolarHBondContact O-N 3.49Å; L1162-I1217 HydrophobicContact CD2-CG2 4.23Å; L1162-A1220 HydrophobicContact CD2-CB 3.83Å; L1162-A1220 HydrophobicContact CG-CB 4.08Å; L1162-L1221 HydrophobicContact CD1-CD2 3.74Å; L1162-L1221 HydrophobicContact CD1-CG 4.35Å; L1162-L1221 HydrophobicContact CD2-CD2 4.2Å; L1162-L1221 HydrophobicContact CD2-CG 4.11Å; L1162-K1224 HydrophobicContact CD1-CD 3.97Å |
| 1163 | D | 79.5 | Confident | 73.8 | Confident | 96 Ų | 96 | 57.5 Ų | 57.5 | 51% | 0.513 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -72.5 | -39.1 | 176 | -64.5 | -45.5 | 0 | 0 | 0 | 111.5 | S1159 N1160 K1166 S1167 | S1159-D1163 PolarHBondContact O-N 3.41Å; S1159-D1163 VanDerWaalsContact O-OD2 3.12Å; N1160-D1163 PolarHBondContact O-N 3.13Å; N1160-D1163 VanDerWaalsContact O-N 3.16Å; D1163-K1166 PolarHBondContact O-N 3.41Å; D1163-S1167 WeakPolarHBondContact O-CB 3.48Å; D1163-S1167 PolarHBondContact O-N 2.86Å |
| 1164 | D | 76.2 | Confident | 71.4 | Confident | 93 Ų | 93 | 59.4 Ų | 59.4 | 50% | 0.497 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 170.7 | -70.3 | -24.7 | 0 | 0 | 0 | 110.9 | N1160 K1166 S1167 Y1168 | N1160-D1164 WeakPolarHBondContact O-CB 3.49Å; N1160-D1164 VanDerWaalsContact O-CG 3.23Å; N1160-D1164 PolarHBondContact O-N 3.12Å; D1164-K1166 PolarHBondContact O-N 3.18Å; D1164-S1167 WeakPolarHBondContact O-CB 3.36Å; D1164-S1167 PolarHBondContact O-N 3.49Å; D1164-Y1168 WeakPolarHBondContact O-CB 3.41Å; D1164-Y1168 PolarHBondContact O-N 2.92Å |
| 1165 | L | 75.7 | Confident | 68.9 | Low | 1 Ų | 1 | 66.3 Ų | 66.3 | 1% | 0.005 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -40.1 | 175.3 | -76.4 | 163.3 | 0 | 0 | 0 | 112 | F1091 L1161 Y1168 C1169 Y1213 I1216 I1217 | F1091-L1165 HydrophobicContact CE1-CD2 3.88Å; F1091-L1165 HydrophobicContact CZ-CD2 4.49Å; L1161-L1165 HydrophobicContact CG-CD1 4.35Å; L1161-L1165 WeakPolarHBondContact O-CB 3.38Å; L1161-L1165 VanDerWaalsContact O-CD1 3.25Å; L1161-L1165 WeakPolarHBondContact O-CD1 3.37Å; L1161-L1165 WeakPolarHBondContact O-CG 3.35Å; L1161-L1165 PolarHBondContact O-N 2.82Å; L1161-L1165 VanDerWaalsContact O-N 3.08Å; L1165-Y1168 PolarHBondContact O-N 3.34Å; L1165-C1169 VanDerWaalsContact O-CB 3.3Å; L1165-C1169 WeakPolarHBondContact O-CB 3.31Å; L1165-C1169 PolarHBondContact O-N 3.47Å; L1165-C1169 PolarHBondContact O-SG 2.93Å; L1165-C1169 VanDerWaalsContact O-SG 3.35Å; L1165-Y1213 HydrophobicContact CD2-CD1 4.08Å; L1165-I1216 HydrophobicContact CD1-CG2 3.69Å; L1165-I1216 HydrophobicContact CD2-CG2 4.26Å; L1165-I1217 HydrophobicContact CB-CG1 4.41Å; L1165-I1217 HydrophobicContact CD1-CG1 3.97Å |
| 1166 | K | 75.8 | Confident | 66.3 | Low | 142 Ų | 142 | 70.3 Ų | 70.3 | 62% | 0.617 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.2 | -39.5 | 175.7 | -177.9 | -177.8 | 176.6 | -172.5 | 0 | 111.6 | L1162 D1163 D1164 S1170 | L1162-K1166 WeakPolarHBondContact O-CB 3.38Å; L1162-K1166 PolarHBondContact O-N 3.49Å; D1163-K1166 PolarHBondContact O-N 3.41Å; D1164-K1166 PolarHBondContact O-N 3.18Å; K1166-S1170 WeakPolarHBondContact O-CB 3.36Å; K1166-S1170 PolarHBondContact O-N 3.34Å; K1166-S1170 PolarHBondContact O-OG 3.34Å |
| 1167 | S | 70.5 | Confident | 63.5 | Low | 78 Ų | 78 | 68.8 Ų | 68.8 | 55% | 0.545 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -62.9 | -50.5 | 174.4 | -170.7 | 0 | 0 | 0 | 0 | 111 | D1163 D1164 C1169 S1170 S1171 | D1163-S1167 WeakPolarHBondContact O-CB 3.48Å; D1163-S1167 PolarHBondContact O-N 2.86Å; D1164-S1167 WeakPolarHBondContact O-CB 3.36Å; D1164-S1167 PolarHBondContact O-N 3.49Å; S1167-C1169 PolarHBondContact O-N 3.39Å; S1167-S1170 CarbonylContact O-C 3.57Å; S1167-S1170 WeakPolarHBondContact O-CA 3.4Å; S1167-S1170 WeakPolarHBondContact O-CB 3.49Å; S1167-S1170 PolarHBondContact O-N 3.29Å; S1167-S1171 PolarHBondContact O-N 3.25Å; S1167-S1171 PolarHBondContact O-OG 2.95Å |
| 1168 | Y | 63.5 | Low | 60.9 | Low | 30 Ų | 30 | 71 Ų | 71 | 12% | 0.118 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -61.1 | -40.5 | 177.5 | -170.3 | -95.7 | 0 | 0 | 0 | 112.9 | F1091 D1164 L1165 S1170 S1171 N1172 Y1213 | F1091-Y1168 HydrophobicContact CD2-CD2 4.39Å; F1091-Y1168 HydrophobicContact CD2-CE2 4.14Å; F1091-Y1168 HydrophobicContact CE1-CD1 4.49Å; F1091-Y1168 AromaticContact CE2-CD2 3.71Å; F1091-Y1168 HydrophobicContact CE2-CD2 3.71Å; F1091-Y1168 AromaticContact CE2-CE2 3.92Å; F1091-Y1168 HydrophobicContact CE2-CE2 3.92Å; F1091-Y1168 HydrophobicContact CE2-CG 4.07Å; F1091-Y1168 HydrophobicContact CZ-CD1 4.23Å; F1091-Y1168 HydrophobicContact CZ-CD2 4.01Å; F1091-Y1168 HydrophobicContact CZ-CE2 4.47Å; F1091-Y1168 AromaticContact CZ-CG 3.87Å; F1091-Y1168 HydrophobicContact CZ-CG 3.87Å; D1164-Y1168 WeakPolarHBondContact O-CB 3.41Å; D1164-Y1168 PolarHBondContact O-N 2.92Å; L1165-Y1168 PolarHBondContact O-N 3.34Å; Y1168-S1170 PolarHBondContact O-N 3.3Å; Y1168-S1171 PolarHBondContact O-OG 3.29Å; Y1168-S1171 VanDerWaalsContact O-OG 3.14Å; Y1168-N1172 VanDerWaalsContact CE1-ND2 3.31Å; Y1168-N1172 WeakPolarHBondContact CE1-ND2 3.49Å; Y1168-N1172 PolarHBondContact O-N 3.03Å; Y1168-N1172 PolarHBondContact OH-ND2 3.04Å; Y1168-Y1213 HydrophobicContact CD1-CD1 4.29Å; Y1168-Y1213 AromaticContact CD1-CE1 3.7Å; Y1168-Y1213 HydrophobicContact CD1-CE1 3.7Å; Y1168-Y1213 HydrophobicContact CE1-CD1 4.35Å; Y1168-Y1213 AromaticContact CE1-CE1 3.43Å; Y1168-Y1213 HydrophobicContact CE1-CE1 3.43Å; Y1168-Y1213 VanDerWaalsContact CE1-CE1 3.43Å; Y1168-Y1213 HydrophobicContact CE1-CE2 4.39Å; Y1168-Y1213 AromaticContact CE1-CZ 3.48Å; Y1168-Y1213 VanDerWaalsContact CE1-CZ 3.48Å; Y1168-Y1213 WeakPolarHBondContact CE1-OH 3.27Å; Y1168-Y1213 PolarHBondContact OH-OH 3.24Å |
| 1169 | C | 61.6 | Low | 58.3 | Low | 43 Ų | 43 | 78.9 Ų | 78.9 | 29% | 0.291 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -70.9 | -13.5 | 172.1 | -71.8 | 0 | 0 | 0 | 0 | 113.9 | L1165 S1167 V1173 | L1165-C1169 VanDerWaalsContact O-CB 3.3Å; L1165-C1169 WeakPolarHBondContact O-CB 3.31Å; L1165-C1169 PolarHBondContact O-N 3.47Å; L1165-C1169 PolarHBondContact O-SG 2.93Å; L1165-C1169 VanDerWaalsContact O-SG 3.35Å; S1167-C1169 PolarHBondContact O-N 3.39Å; C1169-V1173 WeakPolarHBondContact O-CG2 3.34Å |
| 1170 | S | 56.8 | Low | 55.9 | Low | 75 Ų | 75 | 88.3 Ų | 88.3 | 52% | 0.524 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -94.1 | -40.3 | 175.2 | -57.6 | 0 | 0 | 0 | 0 | 112 | K1166 S1167 Y1168 | K1166-S1170 WeakPolarHBondContact O-CB 3.36Å; K1166-S1170 PolarHBondContact O-N 3.34Å; K1166-S1170 PolarHBondContact O-OG 3.34Å; S1167-S1170 CarbonylContact O-C 3.57Å; S1167-S1170 WeakPolarHBondContact O-CA 3.4Å; S1167-S1170 WeakPolarHBondContact O-CB 3.49Å; S1167-S1170 PolarHBondContact O-N 3.29Å; Y1168-S1170 PolarHBondContact O-N 3.3Å |
| 1171 | S | 47.5 | Very low | 53.5 | Low | 42 Ų | 42 | 90.2 Ų | 90.2 | 29% | 0.294 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.6 | -47.2 | 178.5 | 57.4 | 0 | 0 | 0 | 0 | 111.7 | S1167 Y1168 V1173 S1174 | S1167-S1171 PolarHBondContact O-N 3.25Å; S1167-S1171 PolarHBondContact O-OG 2.95Å; Y1168-S1171 PolarHBondContact O-OG 3.29Å; Y1168-S1171 VanDerWaalsContact O-OG 3.14Å; S1171-V1173 PolarHBondContact O-N 3.02Å; S1171-S1174 VanDerWaalsContact O-CB 3.29Å; S1171-S1174 WeakPolarHBondContact O-CB 3.3Å; S1171-S1174 PolarHBondContact O-N 2.79Å; S1171-S1174 VanDerWaalsContact O-N 3.11Å; S1171-S1174 PolarHBondContact O-OG 3.1Å |
| 1172 | N | 45.7 | Very low | 51.1 | Low | 44 Ų | 44 | 93.5 Ų | 93.5 | 24% | 0.235 | 51% | 0.512 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -8.6 | -173 | -65.3 | 2.6 | 0 | 0 | 0 | 113.7 | Y1168 S1174 | Y1168-N1172 VanDerWaalsContact CE1-ND2 3.31Å; Y1168-N1172 WeakPolarHBondContact CE1-ND2 3.49Å; Y1168-N1172 PolarHBondContact O-N 3.03Å; Y1168-N1172 PolarHBondContact OH-ND2 3.04Å; N1172-S1174 PolarHBondContact O-N 3.18Å |
| 1173 | V | 41.6 | Very low | 48.7 | Very low | 92 Ų | 92 | 95.8 Ų | 95.8 | 56% | 0.558 | 54% | 0.535 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.6 | -15.3 | 169.7 | 166.3 | 0 | 0 | 0 | 0 | 111.8 | C1169 S1171 | C1169-V1173 WeakPolarHBondContact O-CG2 3.34Å; S1171-V1173 PolarHBondContact O-N 3.02Å |
| 1174 | S | 35.1 | Very low | 46.5 | Very low | 97 Ų | 97 | 93.8 Ų | 93.8 | 68% | 0.678 | 53% | 0.528 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -34.7 | 178.8 | -45.3 | 0 | 0 | 0 | 0 | 114 | S1171 N1172 | S1171-S1174 VanDerWaalsContact O-CB 3.29Å; S1171-S1174 WeakPolarHBondContact O-CB 3.3Å; S1171-S1174 PolarHBondContact O-N 2.79Å; S1171-S1174 VanDerWaalsContact O-N 3.11Å; S1171-S1174 PolarHBondContact O-OG 3.1Å; N1172-S1174 PolarHBondContact O-N 3.18Å |
| 1175 | E | 35.3 | Very low | 44.6 | Very low | 165 Ų | 165 | 94 Ų | 94 | 77% | 0.771 | 53% | 0.525 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -102.9 | -11.4 | -175.4 | -66 | -168.8 | 126.1 | 0 | 0 | 113.4 | S1177 | E1175-S1177 PolarHBondContact O-N 3.06Š|
| 1176 | L | 31.9 | Very low | 42.9 | Very low | 117 Ų | 117 | 100.3 Ų | 100.3 | 61% | 0.613 | 56% | 0.557 | S | S | * | * | trans | -81.1 | 62 | 171.6 | -88.4 | 162.2 | 0 | 0 | 0 | 111.5 | D1178 | L1176-D1178 PolarHBondContact O-N 3.19Š| ||
| 1177 | S | 27.7 | Very low | 41.1 | Very low | 116 Ų | 116 | 100.5 Ų | 100.5 | 81% | 0.811 | 56% | 0.56 | S | S | * | * | trans | -75.2 | 55.1 | 176.1 | 72 | 0 | 0 | 0 | 0 | 112.6 | E1175 | E1175-S1177 PolarHBondContact O-N 3.06Š| ||
| 1178 | D | 29.8 | Very low | 39.5 | Very low | 123 Ų | 123 | 100.6 Ų | 100.6 | 66% | 0.658 | 56% | 0.555 | S | S | * | * | S | Bend | trans | -140.8 | 138.2 | 174.5 | -146.7 | -14.6 | 0 | 0 | 0 | 111.7 | L1176 R1180 | L1176-D1178 PolarHBondContact O-N 3.19Å; D1178-R1180 VanDerWaalsContact C-N 3.3Å; D1178-R1180 PolarHBondContact O-N 2.99Å |
| 1179 | N | 33.1 | Very low | 38.2 | Very low | 165 Ų | 165 | 103.9 Ų | 103.9 | 88% | 0.882 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.4 | 57.8 | -153.2 | -63.3 | -84.3 | 0 | 0 | 0 | 113.7 | ||
| 1180 | R | 36.8 | Very low | 36.9 | Very low | 222 Ų | 222 | 106.4 Ų | 106.4 | 84% | 0.838 | 59% | 0.588 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.3 | -9 | -168.2 | -77.9 | -172.3 | 160 | -158.8 | -8 | 118.5 | D1178 S1182 | D1178-R1180 VanDerWaalsContact C-N 3.3Å; D1178-R1180 PolarHBondContact O-N 2.99Å; R1180-S1182 PolarHBondContact O-N 3.12Å; R1180-S1182 VanDerWaalsContact O-N 3.13Å |
| 1181 | L | 32.4 | Very low | 35.6 | Very low | 120 Ų | 120 | 108.4 Ų | 108.4 | 63% | 0.628 | 60% | 0.599 | S | S | * | * | trans | -83.5 | 86.2 | 171.2 | -76.8 | 169.2 | 0 | 0 | 0 | 110.3 | ||||
| 1182 | S | 32.4 | Very low | 34.8 | Very low | 75 Ų | 75 | 112.1 Ų | 112.1 | 52% | 0.524 | 62% | 0.624 | S | S | . | * | trans | -70.2 | 157 | 178.2 | 48.1 | 0 | 0 | 0 | 0 | 113.1 | R1180 S1184 F1185 | R1180-S1182 PolarHBondContact O-N 3.12Å; R1180-S1182 VanDerWaalsContact O-N 3.13Å; S1182-S1184 PolarHBondContact O-N 3.18Å; S1182-S1184 PolarHBondContact OG-OG 2.92Å; S1182-F1185 PolarHBondContact O-N 3.05Å | ||
| 1183 | A | 34.3 | Very low | 34 | Very low | 76 Ų | 76 | 118.8 Ų | 118.8 | 63% | 0.628 | 65% | 0.654 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -56.3 | -15.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 115 | F1185 I1186 Q1187 | A1183-F1185 PolarHBondContact O-N 3Å; A1183-I1186 PolarHBondContact O-N 3.08Å; A1183-I1186 VanDerWaalsContact O-N 3.08Å; A1183-Q1187 PolarHBondContact O-N 2.9Å |
| 1184 | S | 33.7 | Very low | 33.7 | Very low | 53 Ų | 53 | 122.2 Ų | 122.2 | 37% | 0.371 | 67% | 0.669 | S | S | . | * | H | α-helix | trans | -52.2 | -32.1 | 169.7 | 52.6 | 0 | 0 | 0 | 0 | 113.3 | S1182 I1186 Q1187 D1188 | S1182-S1184 PolarHBondContact O-N 3.18Å; S1182-S1184 PolarHBondContact OG-OG 2.92Å; S1184-I1186 PolarHBondContact O-N 3.34Å; S1184-I1186 VanDerWaalsContact O-N 3.09Å; S1184-Q1187 PolarHBondContact O-N 2.95Å; S1184-Q1187 VanDerWaalsContact O-N 3.15Å; S1184-D1188 VanDerWaalsContact O-CB 3.29Å; S1184-D1188 WeakPolarHBondContact O-CB 3.42Å; S1184-D1188 PolarHBondContact O-N 3.16Å |
| 1185 | F | 36 | Very low | 33.4 | Very low | 99 Ų | 99 | 124.7 Ų | 124.7 | 43% | 0.434 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -60.8 | -21.7 | 178.4 | -165.9 | -94.8 | 0 | 0 | 0 | 113.7 | S1182 A1183 | S1182-F1185 PolarHBondContact O-N 3.05Å; A1183-F1185 PolarHBondContact O-N 3Å |
| 1186 | I | 39.3 | Very low | 33.3 | Very low | 133 Ų | 133 | 121.7 Ų | 121.7 | 68% | 0.682 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -97.1 | -31.7 | 177 | -60.7 | 178.3 | 0 | 0 | 0 | 111.3 | A1183 S1184 | A1183-I1186 PolarHBondContact O-N 3.08Å; A1183-I1186 VanDerWaalsContact O-N 3.08Å; S1184-I1186 PolarHBondContact O-N 3.34Å; S1184-I1186 VanDerWaalsContact O-N 3.09Å |
| 1187 | Q | 38.7 | Very low | 33.3 | Very low | 145 Ų | 145 | 121.5 Ų | 121.5 | 68% | 0.678 | 66% | 0.663 | S | S | * | * | H | α-helix | trans | -72.9 | -34.3 | 175.6 | -68.9 | -177.7 | -63.2 | 0 | 0 | 112.8 | A1183 S1184 L1189 T1190 | A1183-Q1187 PolarHBondContact O-N 2.9Å; S1184-Q1187 PolarHBondContact O-N 2.95Å; S1184-Q1187 VanDerWaalsContact O-N 3.15Å; Q1187-L1189 PolarHBondContact O-N 3.12Å; Q1187-T1190 PolarHBondContact O-N 3.34Å; Q1187-T1190 PolarHBondContact O-OG1 3.44Å |
| 1188 | D | 37.3 | Very low | 33.3 | Very low | 81 Ų | 81 | 127.2 Ų | 127.2 | 43% | 0.433 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -63.2 | -5.5 | 176.1 | -92.5 | 38 | 0 | 0 | 0 | 114.7 | S1184 R1214 | S1184-D1188 VanDerWaalsContact O-CB 3.29Å; S1184-D1188 WeakPolarHBondContact O-CB 3.42Å; S1184-D1188 PolarHBondContact O-N 3.16Å; D1188-R1214 IonicContact OD2-CZ 3.2Å; D1188-R1214 IonicContact OD2-NH1 2.79Å; D1188-R1214 PolarHBondContact OD2-NH1 2.92Å; D1188-R1214 IonicContact OD2-NH2 2.72Å; D1188-R1214 PolarHBondContact OD2-NH2 3.49Å |
| 1189 | L | 35.5 | Very low | 33.5 | Very low | 98 Ų | 98 | 126.6 Ų | 126.6 | 51% | 0.513 | 67% | 0.669 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -96.3 | -1 | 178.1 | -69.8 | 171 | 0 | 0 | 0 | 113.5 | Q1187 | Q1187-L1189 PolarHBondContact O-N 3.12Š|
| 1190 | T | 33.3 | Very low | 33.4 | Very low | 96 Ų | 96 | 128 Ų | 128 | 59% | 0.589 | 67% | 0.667 | S | S | * | * | S | Bend | trans | -73.7 | 124.6 | 171.8 | -37.7 | 0 | 0 | 0 | 0 | 109.2 | Q1187 C1192 | Q1187-T1190 PolarHBondContact O-N 3.34Å; Q1187-T1190 PolarHBondContact O-OG1 3.44Å; T1190-C1192 PolarHBondContact O-N 3.48Å |
| 1191 | P | 30 | Very low | 33.1 | Very low | 118 Ų | 118 | 123 Ų | 123 | 77% | 0.766 | 66% | 0.662 | S | S | * | * | trans | -75.1 | 96.6 | 175 | 30.5 | -32.5 | 0 | 0 | 0 | 109.4 | E1193 | P1191-E1193 PolarHBondContact O-N 3.12Š| ||
| 1192 | C | 31.3 | Very low | 33 | Very low | 120 Ų | 120 | 123.8 Ų | 123.8 | 81% | 0.811 | 67% | 0.667 | S | S | * | * | trans | -63.7 | 117.3 | 168.2 | -63.6 | 0 | 0 | 0 | 0 | 109.4 | T1190 D1194 | T1190-C1192 PolarHBondContact O-N 3.48Å; C1192-D1194 PolarHBondContact O-N 3.46Å | ||
| 1193 | E | 28.9 | Very low | 32.9 | Very low | 184 Ų | 184 | 128 Ų | 128 | 86% | 0.86 | 68% | 0.683 | S | S | * | * | trans | -67.8 | 118 | 155 | -63.1 | -168.1 | 132.8 | 0 | 0 | 108 | P1191 | P1191-E1193 PolarHBondContact O-N 3.12Š| ||
| 1194 | D | 34 | Very low | 32.9 | Very low | 164 Ų | 164 | 130.5 Ų | 130.5 | 88% | 0.877 | 69% | 0.691 | S | S | * | * | trans | -160 | 118.1 | 149.3 | -109.3 | -29.6 | 0 | 0 | 0 | 108.5 | C1192 | C1192-D1194 PolarHBondContact O-N 3.46Š| ||
| 1195 | D | 30.7 | Very low | 32.9 | Very low | 149 Ų | 149 | 135.9 Ų | 135.9 | 80% | 0.797 | 72% | 0.715 | S | S | * | * | trans | -82.6 | 146.9 | 178.5 | -106.1 | -32.4 | 0 | 0 | 0 | 110.5 | ||||
| 1196 | N | 32.3 | Very low | 32.8 | Very low | 101 Ų | 101 | 137.6 Ų | 137.6 | 54% | 0.54 | 73% | 0.729 | S | S | . | * | trans | 61.5 | 93.9 | 170.5 | -48.3 | -69 | 0 | 0 | 0 | 117.2 | L493 | L493-N1196 HydrophobicContact CD2-CB 4.22Š| ||
| 1197 | N | 31.6 | Very low | 32.4 | Very low | 114 Ų | 114 | 134.5 Ų | 134.5 | 61% | 0.61 | 73% | 0.73 | S | S | * | * | -149.7 | 129.6 | 128.5 | -123 | -62.6 | 0 | 0 | 0 | 114.4 | D495 | D495-N1197 PolarHBondContact OD2-ND2 3.32Š| |||
| 1198 | Y | 28.9 | Very low | 32.3 | Very low | 235 Ų | 235 | 135.2 Ų | 135.2 | 92% | 0.922 | 73% | 0.733 | S | S | * | * | trans | -111.3 | 71.2 | -170.5 | -135.4 | -74.6 | 0 | 0 | 0 | 109.7 | ||||
| 1199 | V | 33.1 | Very low | 32.3 | Very low | 110 Ų | 110 | 140.8 Ų | 140.8 | 67% | 0.667 | 76% | 0.756 | S | S | * | * | trans | -94.1 | 123.3 | -174.8 | -178.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1200 | K | 30.5 | Very low | 32.6 | Very low | 195 Ų | 195 | 143.6 Ų | 143.6 | 85% | 0.848 | 77% | 0.766 | S | S | * | * | trans | -85 | 121.8 | 165.3 | -71.5 | 176.7 | 175.5 | 178.2 | 0 | 110 | ||||
| 1201 | T | 31.7 | Very low | 33.8 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 72% | 0.718 | 76% | 0.757 | S | S | * | * | trans | -150.7 | 100.9 | 155.3 | 43.3 | 0 | 0 | 0 | 0 | 106.2 | ||||
| 1202 | D | 29.1 | Very low | 35.4 | Very low | 137 Ų | 137 | 138.6 Ų | 138.6 | 73% | 0.733 | 74% | 0.737 | S | S | * | * | 72.1 | 98.8 | 81.8 | -77.7 | -22.3 | 0 | 0 | 0 | 113.8 | T1204 | D1202-T1204 PolarHBondContact O-N 3.37Š| |||
| 1203 | N | 31.2 | Very low | 37.2 | Very low | 164 Ų | 164 | 133.9 Ų | 133.9 | 88% | 0.877 | 70% | 0.702 | S | S | * | * | trans | 20 | 87.1 | 149.8 | -55.1 | -24.6 | 0 | 0 | 0 | 118.1 | ||||
| 1204 | T | 33.9 | Very low | 39.2 | Very low | 127 Ų | 127 | 129.8 Ų | 129.8 | 78% | 0.779 | 68% | 0.679 | S | S | * | * | trans | -134.8 | 135.2 | 146.9 | 16.6 | 0 | 0 | 0 | 0 | 109.6 | D1202 D1206 | D1202-T1204 PolarHBondContact O-N 3.37Å; T1204-D1206 PolarHBondContact O-N 3.49Å | ||
| 1205 | D | 32.7 | Very low | 41.2 | Very low | 166 Ų | 166 | 127.6 Ų | 127.6 | 89% | 0.888 | 67% | 0.666 | S | S | * | * | trans | -101 | 66.8 | -168.4 | -167.3 | 19.2 | 0 | 0 | 0 | 110.1 | ||||
| 1206 | D | 34 | Very low | 43.4 | Very low | 135 Ų | 135 | 121 Ų | 121 | 72% | 0.722 | 63% | 0.631 | S | S | * | * | trans | -106.2 | 111.1 | -177.4 | -95.4 | -55.8 | 0 | 0 | 0 | 111.8 | T1204 H1208 | T1204-D1206 PolarHBondContact O-N 3.49Å; D1206-H1208 PolarHBondContact O-N 2.72Å; D1206-H1208 VanDerWaalsContact O-N 3.09Å | ||
| 1207 | G | 31.3 | Very low | 45.7 | Very low | 69 Ų | 69 | 117.6 Ų | 117.6 | 71% | 0.711 | 61% | 0.613 | S | S | * | * | trans | -71.9 | 100.3 | -175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1208 | H | 37.4 | Very low | 48.1 | Very low | 160 Ų | 160 | 116.3 Ų | 116.3 | 74% | 0.741 | 61% | 0.605 | S | S | * | * | trans | -111.5 | 109.5 | 164.7 | -77.2 | 7.1 | 0 | 0 | 0 | 110.5 | D1206 H1210 | D1206-H1208 PolarHBondContact O-N 2.72Å; D1206-H1208 VanDerWaalsContact O-N 3.09Å; H1208-H1210 VanDerWaalsContact C-N 3.32Å; H1208-H1210 PolarHBondContact O-N 2.98Å | ||
| 1209 | H | 36.9 | Very low | 50.7 | Low | 197 Ų | 197 | 108.6 Ų | 108.6 | 91% | 0.912 | 58% | 0.58 | S | S | * | * | trans | -66.1 | 85.3 | 176.6 | -72.9 | -83.4 | 0 | 0 | 0 | 111.1 | S1211 | H1209-S1211 PolarHBondContact O-N 3.49Š| ||
| 1210 | H | 42.1 | Very low | 53.2 | Low | 157 Ų | 157 | 103.3 Ų | 103.3 | 73% | 0.727 | 55% | 0.548 | S | S | * | . | trans | -60.1 | 118.7 | 162.6 | -74.9 | -12.7 | 0 | 0 | 0 | 109.1 | H1208 | H1208-H1210 VanDerWaalsContact C-N 3.32Å; H1208-H1210 PolarHBondContact O-N 2.98Å | ||
| 1211 | S | 58.5 | Low | 55.8 | Low | 56 Ų | 56 | 97.9 Ų | 97.9 | 39% | 0.392 | 53% | 0.528 | S | S | . | . | trans | -65.2 | 138.6 | 175.8 | 73.3 | 0 | 0 | 0 | 0 | 109.6 | H1209 Y1213 R1214 | H1209-S1211 PolarHBondContact O-N 3.49Å; S1211-Y1213 PolarHBondContact O-N 3.18Å; S1211-Y1213 VanDerWaalsContact O-N 3.1Å; S1211-R1214 PolarHBondContact O-N 3.19Å; S1211-R1214 VanDerWaalsContact O-N 3.08Å | ||
| 1212 | P | 64 | Low | 58.5 | Low | 53 Ų | 53 | 98.9 Ų | 98.9 | 34% | 0.344 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -58.3 | -30.4 | -177.2 | 21.7 | -32.1 | 0 | 0 | 0 | 111.8 | R1214 L1215 I1216 | P1212-R1214 PolarHBondContact O-N 3.47Å; P1212-L1215 PolarHBondContact O-N 3.38Å; P1212-I1216 WeakPolarHBondContact O-CG1 3.37Å; P1212-I1216 PolarHBondContact O-N 2.92Å |
| 1213 | Y | 68.2 | Low | 61.4 | Low | 21 Ų | 21 | 93.3 Ų | 93.3 | 8% | 0.082 | 49% | 0.492 | C | S | . | . | H | α-helix | trans | -53.7 | -41.1 | 174.7 | -56 | -84.5 | 0 | 0 | 0 | 114.2 | D1088 F1091 L1165 Y1168 S1211 L1215 I1216 I1217 | D1088-Y1213 VanDerWaalsContact OD1-CE2 3.29Å; D1088-Y1213 WeakPolarHBondContact OD1-CE2 3.37Å; D1088-Y1213 PolarHBondContact OD1-OH 3.37Å; F1091-Y1213 HydrophobicContact CD1-CD1 4.34Å; F1091-Y1213 AromaticContact CD1-CE1 3.44Å; F1091-Y1213 HydrophobicContact CD1-CE1 3.44Å; F1091-Y1213 VanDerWaalsContact CD1-CE1 3.44Å; F1091-Y1213 HydrophobicContact CE1-CD1 4.19Å; F1091-Y1213 AromaticContact CE1-CE1 3.56Å; F1091-Y1213 HydrophobicContact CE1-CE1 3.56Å; F1091-Y1213 HydrophobicContact CG-CE1 4.29Å; F1091-Y1213 HydrophobicContact CZ-CE1 4.48Å; L1165-Y1213 HydrophobicContact CD2-CD1 4.08Å; Y1168-Y1213 HydrophobicContact CD1-CD1 4.29Å; Y1168-Y1213 AromaticContact CD1-CE1 3.7Å; Y1168-Y1213 HydrophobicContact CD1-CE1 3.7Å; Y1168-Y1213 HydrophobicContact CE1-CD1 4.35Å; Y1168-Y1213 AromaticContact CE1-CE1 3.43Å; Y1168-Y1213 HydrophobicContact CE1-CE1 3.43Å; Y1168-Y1213 VanDerWaalsContact CE1-CE1 3.43Å; Y1168-Y1213 HydrophobicContact CE1-CE2 4.39Å; Y1168-Y1213 AromaticContact CE1-CZ 3.48Å; Y1168-Y1213 VanDerWaalsContact CE1-CZ 3.48Å; Y1168-Y1213 WeakPolarHBondContact CE1-OH 3.27Å; Y1168-Y1213 PolarHBondContact OH-OH 3.24Å; S1211-Y1213 PolarHBondContact O-N 3.18Å; S1211-Y1213 VanDerWaalsContact O-N 3.1Å; Y1213-L1215 VanDerWaalsContact C-N 3.32Å; Y1213-L1215 PolarHBondContact O-N 3.05Å; Y1213-I1216 PolarHBondContact O-N 2.93Å; Y1213-I1217 WeakPolarHBondContact O-CG1 3.34Å; Y1213-I1217 PolarHBondContact O-N 3.12Å |
| 1214 | R | 71.7 | Confident | 64.2 | Low | 98 Ų | 98 | 88.2 Ų | 88.2 | 37% | 0.37 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -61.7 | -41.5 | -180 | -173.9 | 175.6 | -179.4 | 154.3 | 5.8 | 111.5 | D1188 S1211 P1212 L1218 | D1188-R1214 IonicContact OD2-CZ 3.2Å; D1188-R1214 IonicContact OD2-NH1 2.79Å; D1188-R1214 PolarHBondContact OD2-NH1 2.92Å; D1188-R1214 IonicContact OD2-NH2 2.72Å; D1188-R1214 PolarHBondContact OD2-NH2 3.49Å; S1211-R1214 PolarHBondContact O-N 3.19Å; S1211-R1214 VanDerWaalsContact O-N 3.08Å; P1212-R1214 PolarHBondContact O-N 3.47Å; R1214-L1218 HydrophobicContact CG-CD1 4.2Å; R1214-L1218 WeakPolarHBondContact O-CG 3.44Å; R1214-L1218 PolarHBondContact O-N 3.27Å |
| 1215 | L | 74.8 | Confident | 66.7 | Low | 118 Ų | 118 | 85.1 Ų | 85.1 | 62% | 0.618 | 45% | 0.446 | S | S | * | . | H | α-helix | trans | -70.9 | -34.8 | 178.8 | -169 | 67.6 | 0 | 0 | 0 | 111.9 | P1212 Y1213 N1219 | P1212-L1215 PolarHBondContact O-N 3.38Å; Y1213-L1215 VanDerWaalsContact C-N 3.32Å; Y1213-L1215 PolarHBondContact O-N 3.05Å; L1215-N1219 WeakPolarHBondContact O-CB 3.37Å; L1215-N1219 PolarHBondContact O-N 3.45Å; L1215-N1219 PolarHBondContact O-ND2 3.48Å |
| 1216 | I | 78 | Confident | 69.4 | Low | 10 Ų | 10 | 81 Ų | 81 | 5% | 0.051 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -66.4 | -47.8 | 176.4 | -68.3 | 163.3 | 0 | 0 | 0 | 110.8 | H1095 L1099 L1165 P1212 Y1213 N1219 A1220 | H1095-I1216 HydrophobicContact CB-CD1 4.04Å; H1095-I1216 HydrophobicContact CB-CG1 4.44Å; H1095-I1216 HydrophobicContact CB-CG2 3.75Å; L1099-I1216 HydrophobicContact CD1-CG2 4.07Å; L1165-I1216 HydrophobicContact CD1-CG2 3.69Å; L1165-I1216 HydrophobicContact CD2-CG2 4.26Å; P1212-I1216 WeakPolarHBondContact O-CG1 3.37Å; P1212-I1216 PolarHBondContact O-N 2.92Å; Y1213-I1216 PolarHBondContact O-N 2.93Å; I1216-N1219 PolarHBondContact O-N 3.44Å; I1216-A1220 WeakPolarHBondContact O-CB 3.17Å; I1216-A1220 PolarHBondContact O-N 3.06Å |
| 1217 | I | 80.2 | Confident | 72.1 | Confident | 31 Ų | 31 | 74.6 Ų | 74.6 | 16% | 0.159 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -62 | -47.5 | -179.4 | -67.6 | 164.6 | 0 | 0 | 0 | 111.2 | L1162 L1165 Y1213 N1219 A1220 L1221 | L1162-I1217 HydrophobicContact CD2-CG2 4.23Å; L1165-I1217 HydrophobicContact CB-CG1 4.41Å; L1165-I1217 HydrophobicContact CD1-CG1 3.97Å; Y1213-I1217 WeakPolarHBondContact O-CG1 3.34Å; Y1213-I1217 PolarHBondContact O-N 3.12Å; I1217-N1219 VanDerWaalsContact C-N 3.34Å; I1217-N1219 PolarHBondContact O-N 3.48Å; I1217-A1220 PolarHBondContact O-N 3.11Å; I1217-L1221 HydrophobicContact CG2-CD1 4.01Å; I1217-L1221 WeakPolarHBondContact O-CG 3.39Å; I1217-L1221 PolarHBondContact O-N 3.49Å |
| 1218 | L | 81 | Confident | 74.7 | Confident | 86 Ų | 86 | 75.2 Ų | 75.2 | 45% | 0.45 | 37% | 0.373 | S | S | . | . | H | α-helix | trans | -60.2 | -42 | 178 | -73.7 | 169.4 | 0 | 0 | 0 | 112.3 | R1214 K1222 | R1214-L1218 HydrophobicContact CG-CD1 4.2Å; R1214-L1218 WeakPolarHBondContact O-CG 3.44Å; R1214-L1218 PolarHBondContact O-N 3.27Å; L1218-K1222 WeakPolarHBondContact O-CB 3.32Å; L1218-K1222 PolarHBondContact O-N 3.42Å |
| 1219 | N | 84.2 | Confident | 77 | Confident | 73 Ų | 73 | 72 Ų | 72 | 39% | 0.39 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -66.7 | -40.5 | 175.3 | -78.9 | -53.9 | 0 | 0 | 0 | 112.1 | L1099 L1215 I1216 I1217 K1222 L1223 | L1099-N1219 HydrophobicContact CD1-CB 3.86Å; L1215-N1219 WeakPolarHBondContact O-CB 3.37Å; L1215-N1219 PolarHBondContact O-N 3.45Å; L1215-N1219 PolarHBondContact O-ND2 3.48Å; I1216-N1219 PolarHBondContact O-N 3.44Å; I1217-N1219 VanDerWaalsContact C-N 3.34Å; I1217-N1219 PolarHBondContact O-N 3.48Å; N1219-K1222 PolarHBondContact O-N 3.3Å; N1219-L1223 VanDerWaalsContact O-CB 3.27Å; N1219-L1223 WeakPolarHBondContact O-CB 3.16Å; N1219-L1223 PolarHBondContact O-N 2.89Å |
| 1220 | A | 85.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 63.1 Ų | 63.1 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -61.6 | -44.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L1099 L1161 L1162 I1216 I1217 L1223 K1224 | L1099-A1220 HydrophobicContact CD2-CB 3.9Å; L1161-A1220 HydrophobicContact CD2-CB 4.4Å; L1162-A1220 HydrophobicContact CD2-CB 3.83Å; L1162-A1220 HydrophobicContact CG-CB 4.08Å; I1216-A1220 WeakPolarHBondContact O-CB 3.17Å; I1216-A1220 PolarHBondContact O-N 3.06Å; I1217-A1220 PolarHBondContact O-N 3.11Å; A1220-L1223 PolarHBondContact O-N 3.13Å; A1220-K1224 VanDerWaalsContact O-CB 3.3Å; A1220-K1224 WeakPolarHBondContact O-CB 3.41Å; A1220-K1224 PolarHBondContact O-N 2.95Å |
| 1221 | L | 85.1 | Confident | 81.6 | Confident | 80 Ų | 80 | 56.1 Ų | 56.1 | 42% | 0.419 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -63.3 | -48 | 176.3 | -71 | 169.7 | 0 | 0 | 0 | 112 | L1162 I1217 L1223 K1224 S1225 | L1162-L1221 HydrophobicContact CD1-CD2 3.74Å; L1162-L1221 HydrophobicContact CD1-CG 4.35Å; L1162-L1221 HydrophobicContact CD2-CD2 4.2Å; L1162-L1221 HydrophobicContact CD2-CG 4.11Å; I1217-L1221 HydrophobicContact CG2-CD1 4.01Å; I1217-L1221 WeakPolarHBondContact O-CG 3.39Å; I1217-L1221 PolarHBondContact O-N 3.49Å; L1221-L1223 VanDerWaalsContact C-N 3.32Å; L1221-L1223 PolarHBondContact O-N 3.06Å; L1221-K1224 PolarHBondContact O-N 3.41Å; L1221-S1225 PolarHBondContact O-N 2.93Å |
| 1222 | K | 89.6 | Confident | 82.7 | Confident | 139 Ų | 139 | 56.4 Ų | 56.4 | 60% | 0.604 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -57.2 | -45.9 | 177.1 | -176.9 | 171.5 | -176.4 | 169.6 | 0 | 111.7 | L1218 N1219 S1225 Q1226 | L1218-K1222 WeakPolarHBondContact O-CB 3.32Å; L1218-K1222 PolarHBondContact O-N 3.42Å; N1219-K1222 PolarHBondContact O-N 3.3Å; K1222-S1225 PolarHBondContact O-N 3.12Å; K1222-Q1226 WeakPolarHBondContact O-CG 3.48Å; K1222-Q1226 PolarHBondContact O-N 3.29Å; K1222-Q1226 VanDerWaalsContact O-N 3.08Å |
| 1223 | L | 88.5 | Confident | 83.6 | Confident | 20 Ų | 20 | 55.8 Ų | 55.8 | 11% | 0.105 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.7 | -35 | -179.3 | -148.7 | 72.8 | 0 | 0 | 0 | 112.3 | L1099 S1102 L1158 N1219 A1220 L1221 Q1226 W1227 | L1099-L1223 HydrophobicContact CD2-CD2 4.2Å; S1102-L1223 VanDerWaalsContact CB-CD2 3.47Å; L1158-L1223 HydrophobicContact CD1-CB 4.05Å; L1158-L1223 HydrophobicContact CD1-CD2 4.21Å; L1158-L1223 HydrophobicContact CD1-CG 4.25Å; L1158-L1223 HydrophobicContact CD2-CD2 4.15Å; N1219-L1223 VanDerWaalsContact O-CB 3.27Å; N1219-L1223 WeakPolarHBondContact O-CB 3.16Å; N1219-L1223 PolarHBondContact O-N 2.89Å; A1220-L1223 PolarHBondContact O-N 3.13Å; L1221-L1223 VanDerWaalsContact C-N 3.32Å; L1221-L1223 PolarHBondContact O-N 3.06Å; L1223-Q1226 PolarHBondContact O-N 3.02Å; L1223-W1227 VanDerWaalsContact O-CD1 3.32Å; L1223-W1227 PolarHBondContact O-N 3.06Å |
| 1224 | K | 90 | Very high | 84.2 | Confident | 57 Ų | 57 | 54.9 Ų | 54.9 | 25% | 0.248 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -64.3 | -43.5 | 174.5 | 178.6 | 168.9 | 169.3 | 170.3 | 0 | 111 | L1158 S1159 L1162 A1220 L1221 W1227 I1228 | L1158-K1224 HydrophobicContact CB-CB 4.25Å; L1158-K1224 HydrophobicContact CD1-CB 4.23Å; S1159-K1224 WeakPolarHBondContact OG-CE 3.33Å; S1159-K1224 PolarHBondContact OG-NZ 3.36Å; L1162-K1224 HydrophobicContact CD1-CD 3.97Å; A1220-K1224 VanDerWaalsContact O-CB 3.3Å; A1220-K1224 WeakPolarHBondContact O-CB 3.41Å; A1220-K1224 PolarHBondContact O-N 2.95Å; L1221-K1224 PolarHBondContact O-N 3.41Å; K1224-W1227 PolarHBondContact O-N 2.84Å; K1224-I1228 HydrophobicContact CG-CD1 4.05Å; K1224-I1228 WeakPolarHBondContact O-CD1 3.16Å; K1224-I1228 VanDerWaalsContact O-CG1 3.28Å; K1224-I1228 WeakPolarHBondContact O-CG1 3.41Å; K1224-I1228 PolarHBondContact O-N 3.12Å |
| 1225 | S | 86.9 | Confident | 84.7 | Confident | 62 Ų | 62 | 56.4 Ų | 56.4 | 43% | 0.434 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -59.2 | -46.3 | 172.7 | 177.8 | 0 | 0 | 0 | 0 | 112.1 | L1221 K1222 W1227 I1228 N1229 | L1221-S1225 PolarHBondContact O-N 2.93Å; K1222-S1225 PolarHBondContact O-N 3.12Å; S1225-W1227 PolarHBondContact O-N 2.73Å; S1225-I1228 PolarHBondContact O-N 3.04Å; S1225-N1229 PolarHBondContact O-N 3Å |
| 1226 | Q | 88.9 | Confident | 84.9 | Confident | 80 Ų | 80 | 54.8 Ų | 54.8 | 37% | 0.374 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -60.8 | -43 | 177 | -70.2 | 179 | -56.9 | 0 | 0 | 113.1 | L1106 K1222 L1223 I1228 N1229 F1230 | L1106-Q1226 HydrophobicContact CD2-CB 3.62Å; L1106-Q1226 HydrophobicContact CD2-CG 4.38Å; K1222-Q1226 WeakPolarHBondContact O-CG 3.48Å; K1222-Q1226 PolarHBondContact O-N 3.29Å; K1222-Q1226 VanDerWaalsContact O-N 3.08Å; L1223-Q1226 PolarHBondContact O-N 3.02Å; Q1226-I1228 VanDerWaalsContact C-N 3.34Å; Q1226-I1228 PolarHBondContact O-N 3.07Å; Q1226-N1229 PolarHBondContact O-N 3.17Å; Q1226-F1230 PolarHBondContact O-N 3.33Å |
| 1227 | W | 91.8 | Very high | 84.8 | Confident | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -66.2 | -32.9 | 175.4 | -85.1 | 110.6 | 0 | 0 | 0 | 113.5 | S1102 R1105 L1106 A1109 T1150 A1151 H1154 V1155 L1223 K1224 S1225 F1230 S1231 | S1102-W1227 PolarHBondContact O-NE1 3.07Å; S1102-W1227 PolarHBondContact OG-NE1 3.02Å; S1102-W1227 VanDerWaalsContact OG-NE1 3.11Å; R1105-W1227 HydrophobicContact CB-CH2 4.24Å; R1105-W1227 HydrophobicContact CB-CZ2 3.76Å; L1106-W1227 HydrophobicContact CB-CH2 4.5Å; L1106-W1227 HydrophobicContact CB-CZ2 3.94Å; L1106-W1227 HydrophobicContact CD1-CD2 3.86Å; L1106-W1227 HydrophobicContact CD1-CE3 3.94Å; L1106-W1227 HydrophobicContact CD1-CG 4.29Å; L1106-W1227 HydrophobicContact CD1-CZ3 4.32Å; L1106-W1227 VanDerWaalsContact N-CZ2 3.35Å; A1109-W1227 HydrophobicContact CB-CH2 4.13Å; A1109-W1227 HydrophobicContact CB-CZ3 4.21Å; T1150-W1227 HydrophobicContact CG2-CH2 4.19Å; A1151-W1227 HydrophobicContact CB-CE3 3.73Å; A1151-W1227 HydrophobicContact CB-CZ3 3.95Å; H1154-W1227 HydrophobicContact CB-CD2 3.72Å; H1154-W1227 VanDerWaalsContact CB-CE2 3.48Å; H1154-W1227 HydrophobicContact CB-CE3 4.25Å; H1154-W1227 HydrophobicContact CB-CG 4.06Å; H1154-W1227 HydrophobicContact CB-CH2 4.31Å; H1154-W1227 HydrophobicContact CB-CZ2 3.79Å; H1154-W1227 AromaticContact CD2-CH2 3.96Å; H1154-W1227 AromaticContact CD2-CZ2 3.72Å; H1154-W1227 AromaticContact CG-CE2 3.61Å; H1154-W1227 AromaticContact CG-CZ2 3.44Å; H1154-W1227 VanDerWaalsContact CG-CZ2 3.44Å; H1154-W1227 AromaticContact CG-NE1 3.93Å; H1154-W1227 AromaticContact ND1-CE2 3.85Å; H1154-W1227 AromaticContact ND1-CZ2 3.69Å; H1154-W1227 AromaticContact ND1-NE1 3.82Å; V1155-W1227 HydrophobicContact CG2-CB 3.74Å; L1223-W1227 VanDerWaalsContact O-CD1 3.32Å; L1223-W1227 PolarHBondContact O-N 3.06Å; K1224-W1227 PolarHBondContact O-N 2.84Å; S1225-W1227 PolarHBondContact O-N 2.73Å; W1227-F1230 HydrophobicContact CE3-CD1 4.06Å; W1227-F1230 AromaticContact CZ3-CD1 3.98Å; W1227-F1230 HydrophobicContact CZ3-CD1 3.98Å; W1227-F1230 HydrophobicContact CZ3-CE1 4.32Å; W1227-S1231 WeakPolarHBondContact O-CB 3.44Å; W1227-S1231 PolarHBondContact O-N 3.4Å |
| 1228 | I | 86.6 | Confident | 84.5 | Confident | 82 Ų | 82 | 57.6 Ų | 57.6 | 42% | 0.421 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -66.1 | -44.7 | 173.2 | -70.6 | 164.3 | 0 | 0 | 0 | 110.5 | V1155 K1224 S1225 Q1226 F1230 S1231 S1232 | V1155-I1228 HydrophobicContact CG1-CG1 4.47Å; V1155-I1228 HydrophobicContact CG2-CG1 4.08Å; K1224-I1228 HydrophobicContact CG-CD1 4.05Å; K1224-I1228 WeakPolarHBondContact O-CD1 3.16Å; K1224-I1228 VanDerWaalsContact O-CG1 3.28Å; K1224-I1228 WeakPolarHBondContact O-CG1 3.41Å; K1224-I1228 PolarHBondContact O-N 3.12Å; S1225-I1228 PolarHBondContact O-N 3.04Å; Q1226-I1228 VanDerWaalsContact C-N 3.34Å; Q1226-I1228 PolarHBondContact O-N 3.07Å; I1228-F1230 VanDerWaalsContact C-N 3.35Å; I1228-F1230 PolarHBondContact O-N 2.93Å; I1228-S1231 WeakPolarHBondContact O-CB 3.22Å; I1228-S1231 PolarHBondContact O-N 2.74Å; I1228-S1231 VanDerWaalsContact O-N 3.16Å; I1228-S1232 PolarHBondContact O-N 2.91Å; I1228-S1232 PolarHBondContact O-OG 3.27Å |
| 1229 | N | 85.4 | Confident | 84.2 | Confident | 91 Ų | 91 | 59.2 Ų | 59.2 | 49% | 0.487 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -66.9 | -33.7 | 177.4 | -69.8 | -21.5 | 0 | 0 | 0 | 112.9 | S1225 Q1226 S1232 T1233 | S1225-N1229 PolarHBondContact O-N 3Å; Q1226-N1229 PolarHBondContact O-N 3.17Å; N1229-S1232 PolarHBondContact O-OG 2.66Å; N1229-T1233 WeakPolarHBondContact O-CB 3.33Å; N1229-T1233 PolarHBondContact O-N 2.89Å; N1229-T1233 PolarHBondContact O-OG1 3.2Å |
| 1230 | F | 88.5 | Confident | 83.4 | Confident | 11 Ų | 11 | 57.6 Ų | 57.6 | 5% | 0.048 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -65.9 | -44.2 | 169.5 | -178.2 | -98.2 | 0 | 0 | 0 | 111.5 | L1106 A1109 E1110 L1113 L1147 A1151 Q1226 W1227 I1228 T1233 V1234 | L1106-F1230 HydrophobicContact CD1-CB 3.87Å; L1106-F1230 HydrophobicContact CD1-CG 4.15Å; A1109-F1230 HydrophobicContact CB-CE1 3.8Å; A1109-F1230 HydrophobicContact CB-CE2 4.15Å; A1109-F1230 HydrophobicContact CB-CZ 3.58Å; E1110-F1230 HydrophobicContact CG-CD2 3.82Å; E1110-F1230 HydrophobicContact CG-CE2 3.98Å; L1113-F1230 HydrophobicContact CB-CE2 4.28Å; L1113-F1230 HydrophobicContact CB-CZ 4.45Å; L1113-F1230 HydrophobicContact CD2-CE2 3.83Å; L1113-F1230 HydrophobicContact CD2-CZ 4.34Å; L1147-F1230 HydrophobicContact CD1-CZ 4.26Å; L1147-F1230 HydrophobicContact CD2-CE1 4.27Å; L1147-F1230 HydrophobicContact CD2-CZ 3.98Å; A1151-F1230 HydrophobicContact CB-CD1 4.1Å; Q1226-F1230 PolarHBondContact O-N 3.33Å; W1227-F1230 HydrophobicContact CE3-CD1 4.06Å; W1227-F1230 AromaticContact CZ3-CD1 3.98Å; W1227-F1230 HydrophobicContact CZ3-CD1 3.98Å; W1227-F1230 HydrophobicContact CZ3-CE1 4.32Å; I1228-F1230 VanDerWaalsContact C-N 3.35Å; I1228-F1230 PolarHBondContact O-N 2.93Å; F1230-T1233 PolarHBondContact O-N 3.1Å; F1230-V1234 HydrophobicContact CD1-CG2 4.24Å; F1230-V1234 HydrophobicContact CE1-CG2 3.74Å; F1230-V1234 HydrophobicContact CE2-CG2 4.26Å; F1230-V1234 HydrophobicContact CZ-CG2 3.74Å; F1230-V1234 WeakPolarHBondContact O-CG2 3.36Å; F1230-V1234 PolarHBondContact O-N 2.75Å |
| 1231 | S | 87 | Confident | 82.7 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 7% | 0.07 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.6 | -44.1 | 178.7 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | L1148 W1227 I1228 T1233 V1234 R1235 | L1148-S1231 WeakPolarHBondContact CD1-OG 3.49Å; W1227-S1231 WeakPolarHBondContact O-CB 3.44Å; W1227-S1231 PolarHBondContact O-N 3.4Å; I1228-S1231 WeakPolarHBondContact O-CB 3.22Å; I1228-S1231 PolarHBondContact O-N 2.74Å; I1228-S1231 VanDerWaalsContact O-N 3.16Å; S1231-T1233 PolarHBondContact O-N 3.19Å; S1231-V1234 PolarHBondContact O-N 3.43Å; S1231-R1235 WeakPolarHBondContact O-CB 3.39Å; S1231-R1235 WeakPolarHBondContact O-CG 3.38Å; S1231-R1235 PolarHBondContact O-N 3.46Å |
| 1232 | S | 81.4 | Confident | 82 | Confident | 63 Ų | 63 | 57.6 Ų | 57.6 | 44% | 0.441 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -63.3 | -40.6 | 175.7 | 62.2 | 0 | 0 | 0 | 0 | 112.1 | I1228 N1229 V1234 R1235 L1236 | I1228-S1232 PolarHBondContact O-N 2.91Å; I1228-S1232 PolarHBondContact O-OG 3.27Å; N1229-S1232 PolarHBondContact O-OG 2.66Å; S1232-V1234 PolarHBondContact O-N 3.49Å; S1232-R1235 PolarHBondContact O-N 3.31Å; S1232-L1236 PolarHBondContact O-N 2.91Å |
| 1233 | T | 81.5 | Confident | 81.2 | Confident | 40 Ų | 40 | 53.7 Ų | 53.7 | 25% | 0.245 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.6 | -44.2 | 174.3 | -56.8 | 0 | 0 | 0 | 0 | 112 | L1113 N1229 F1230 S1231 L1236 I1237 I1348 | L1113-T1233 HydrophobicContact CD2-CG2 4.44Å; N1229-T1233 WeakPolarHBondContact O-CB 3.33Å; N1229-T1233 PolarHBondContact O-N 2.89Å; N1229-T1233 PolarHBondContact O-OG1 3.2Å; F1230-T1233 PolarHBondContact O-N 3.1Å; S1231-T1233 PolarHBondContact O-N 3.19Å; T1233-L1236 PolarHBondContact O-N 3.33Å; T1233-I1237 HydrophobicContact CG2-CD1 4.36Å; T1233-I1237 WeakPolarHBondContact O-CG1 3.22Å; T1233-I1237 PolarHBondContact O-N 3.11Å; T1233-I1348 HydrophobicContact CG2-CG2 4.19Å |
| 1234 | V | 81.9 | Confident | 80.3 | Confident | 2 Ų | 2 | 55.9 Ų | 55.9 | 1% | 0.012 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -67 | -40.9 | 177 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | L1113 L1147 L1148 F1230 S1231 S1232 I1237 Y1238 | L1113-V1234 HydrophobicContact CD1-CG2 4.5Å; L1113-V1234 HydrophobicContact CD2-CG2 4.09Å; L1147-V1234 HydrophobicContact CB-CG1 4.34Å; L1147-V1234 HydrophobicContact CB-CG2 4.47Å; L1147-V1234 HydrophobicContact CD1-CG2 4.43Å; L1148-V1234 HydrophobicContact CB-CG1 4.33Å; F1230-V1234 HydrophobicContact CD1-CG2 4.24Å; F1230-V1234 HydrophobicContact CE1-CG2 3.74Å; F1230-V1234 HydrophobicContact CE2-CG2 4.26Å; F1230-V1234 HydrophobicContact CZ-CG2 3.74Å; F1230-V1234 WeakPolarHBondContact O-CG2 3.36Å; F1230-V1234 PolarHBondContact O-N 2.75Å; S1231-V1234 PolarHBondContact O-N 3.43Å; S1232-V1234 PolarHBondContact O-N 3.49Å; V1234-I1237 PolarHBondContact O-N 2.66Å; V1234-Y1238 WeakPolarHBondContact O-CB 3.4Å; V1234-Y1238 PolarHBondContact O-N 2.85Å |
| 1235 | R | 82 | Confident | 79.3 | Confident | 130 Ų | 130 | 55 Ų | 55 | 49% | 0.491 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 176.3 | -74.1 | 177.6 | 178.4 | -178.2 | 1.2 | 112.3 | L1148 E1152 S1231 S1232 Y1238 Q1239 | L1148-R1235 HydrophobicContact CD1-CG 3.85Å; L1148-R1235 HydrophobicContact CD2-CG 4.29Å; E1152-R1235 IonicContact OE1-CZ 3.99Å; E1152-R1235 IonicContact OE1-NE 2.73Å; E1152-R1235 IonicContact OE1-NH2 2.95Å; E1152-R1235 PolarHBondContact OE1-NH2 3.22Å; S1231-R1235 WeakPolarHBondContact O-CB 3.39Å; S1231-R1235 WeakPolarHBondContact O-CG 3.38Å; S1231-R1235 PolarHBondContact O-N 3.46Å; S1232-R1235 PolarHBondContact O-N 3.31Å; R1235-Y1238 WeakPolarHBondContact O-CB 3.42Å; R1235-Y1238 PolarHBondContact O-N 2.95Å; R1235-Q1239 PolarHBondContact O-N 2.6Å |
| 1236 | L | 78.1 | Confident | 78.6 | Confident | 83 Ų | 83 | 54.3 Ų | 54.3 | 44% | 0.435 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.3 | -47.8 | 176.6 | -176.4 | 66.5 | 0 | 0 | 0 | 111.9 | S1232 T1233 Y1238 Q1239 Q1240 | S1232-L1236 PolarHBondContact O-N 2.91Å; T1233-L1236 PolarHBondContact O-N 3.33Å; L1236-Y1238 VanDerWaalsContact C-N 3.3Å; L1236-Y1238 PolarHBondContact O-N 2.78Å; L1236-Q1239 PolarHBondContact O-N 2.75Å; L1236-Q1240 WeakPolarHBondContact O-CG 3.31Å; L1236-Q1240 PolarHBondContact O-N 2.7Å; L1236-Q1240 VanDerWaalsContact O-N 3.09Å |
| 1237 | I | 76.7 | Confident | 78 | Confident | 27 Ų | 27 | 51.1 Ų | 51.1 | 14% | 0.138 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.1 | -39 | 177.2 | -65.3 | 167.1 | 0 | 0 | 0 | 110.9 | L1113 I1117 T1233 V1234 S1241 I1348 I1352 | L1113-I1237 HydrophobicContact CD1-CD1 4.1Å; L1113-I1237 HydrophobicContact CD2-CD1 4.37Å; I1117-I1237 HydrophobicContact CD1-CD1 4.46Å; T1233-I1237 HydrophobicContact CG2-CD1 4.36Å; T1233-I1237 WeakPolarHBondContact O-CG1 3.22Å; T1233-I1237 PolarHBondContact O-N 3.11Å; V1234-I1237 PolarHBondContact O-N 2.66Å; I1237-S1241 WeakPolarHBondContact O-CB 3.45Å; I1237-S1241 PolarHBondContact O-N 3.2Å; I1237-S1241 VanDerWaalsContact O-N 3.15Å; I1237-S1241 PolarHBondContact O-OG 3.06Å; I1237-I1348 HydrophobicContact CD1-CG2 4.34Å; I1237-I1352 HydrophobicContact CG1-CD1 4.3Å; I1237-I1352 HydrophobicContact CG2-CD1 4.33Å |
| 1238 | Y | 74.8 | Confident | 77.2 | Confident | 74 Ų | 74 | 56.1 Ų | 56.1 | 29% | 0.29 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -65.3 | -39.1 | 176.2 | -167.8 | -94.7 | 0 | 0 | 0 | 112.9 | W1140 D1145 V1234 R1235 L1236 S1241 N1242 | W1140-Y1238 HydrophobicContact CZ3-CD2 4.36Å; D1145-Y1238 WeakPolarHBondContact OD1-CE2 3.27Å; D1145-Y1238 PolarHBondContact OD1-OH 3.17Å; D1145-Y1238 VanDerWaalsContact OD1-OH 3.12Å; V1234-Y1238 WeakPolarHBondContact O-CB 3.4Å; V1234-Y1238 PolarHBondContact O-N 2.85Å; R1235-Y1238 WeakPolarHBondContact O-CB 3.42Å; R1235-Y1238 PolarHBondContact O-N 2.95Å; L1236-Y1238 VanDerWaalsContact C-N 3.3Å; L1236-Y1238 PolarHBondContact O-N 2.78Å; Y1238-S1241 WeakPolarHBondContact CA-OG 3.45Å; Y1238-S1241 PolarHBondContact O-OG 2.7Å; Y1238-N1242 WeakPolarHBondContact CD1-ND2 3.34Å; Y1238-N1242 WeakPolarHBondContact CE1-ND2 3.42Å; Y1238-N1242 PolarHBondContact O-N 3.27Å; Y1238-N1242 PolarHBondContact O-ND2 3.15Å; Y1238-N1242 VanDerWaalsContact O-ND2 3.11Å |
| 1239 | Q | 74.1 | Confident | 76.7 | Confident | 119 Ų | 119 | 58.9 Ų | 58.9 | 56% | 0.556 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -66.9 | -52.7 | 178.8 | -171.5 | 174.5 | -28.5 | 0 | 0 | 111.3 | R1235 L1236 S1241 N1242 Q1243 | R1235-Q1239 PolarHBondContact O-N 2.6Å; L1236-Q1239 PolarHBondContact O-N 2.75Å; Q1239-S1241 VanDerWaalsContact C-N 3.3Å; Q1239-S1241 PolarHBondContact O-N 3.2Å; Q1239-N1242 PolarHBondContact O-N 3.03Å; Q1239-Q1243 PolarHBondContact O-N 3.33Å; Q1239-Q1243 VanDerWaalsContact O-N 3.11Å; Q1239-Q1243 PolarHBondContact O-OE1 3.11Å |
| 1240 | Q | 68.3 | Low | 76.4 | Confident | 40 Ų | 40 | 58.9 Ų | 58.9 | 19% | 0.187 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -55.4 | -43.6 | 177.8 | -70.9 | 175 | -21.7 | 0 | 0 | 112.5 | L1236 N1242 Q1243 Y1244 | L1236-Q1240 WeakPolarHBondContact O-CG 3.31Å; L1236-Q1240 PolarHBondContact O-N 2.7Å; L1236-Q1240 VanDerWaalsContact O-N 3.09Å; Q1240-N1242 VanDerWaalsContact C-N 3.28Å; Q1240-N1242 PolarHBondContact O-N 3.24Å; Q1240-Q1243 PolarHBondContact O-N 3.3Å; Q1240-Y1244 PolarHBondContact O-N 3.29Å |
| 1241 | S | 69.3 | Low | 76 | Confident | 26 Ų | 26 | 58.8 Ų | 58.8 | 18% | 0.182 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -69.4 | -21.9 | -179.4 | 55.4 | 0 | 0 | 0 | 0 | 114 | W1140 I1237 Y1238 Q1239 | W1140-S1241 WeakPolarHBondContact CH2-OG 3.25Å; W1140-S1241 WeakPolarHBondContact CZ3-OG 3.49Å; I1237-S1241 WeakPolarHBondContact O-CB 3.45Å; I1237-S1241 PolarHBondContact O-N 3.2Å; I1237-S1241 VanDerWaalsContact O-N 3.15Å; I1237-S1241 PolarHBondContact O-OG 3.06Å; Y1238-S1241 WeakPolarHBondContact CA-OG 3.45Å; Y1238-S1241 PolarHBondContact O-OG 2.7Å; Q1239-S1241 VanDerWaalsContact C-N 3.3Å; Q1239-S1241 PolarHBondContact O-N 3.2Å |
| 1242 | N | 71.8 | Confident | 75.6 | Confident | 53 Ų | 53 | 64.6 Ų | 64.6 | 28% | 0.283 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -80.6 | -37 | 170.3 | -72.2 | -33 | 0 | 0 | 0 | 112.4 | R1141 Y1238 Q1239 Q1240 E1245 A1246 | R1141-N1242 PolarHBondContact NE-OD1 3.17Å; R1141-N1242 PolarHBondContact NH2-OD1 3.06Å; Y1238-N1242 WeakPolarHBondContact CD1-ND2 3.34Å; Y1238-N1242 WeakPolarHBondContact CE1-ND2 3.42Å; Y1238-N1242 PolarHBondContact O-N 3.27Å; Y1238-N1242 PolarHBondContact O-ND2 3.15Å; Y1238-N1242 VanDerWaalsContact O-ND2 3.11Å; Q1239-N1242 PolarHBondContact O-N 3.03Å; Q1240-N1242 VanDerWaalsContact C-N 3.28Å; Q1240-N1242 PolarHBondContact O-N 3.24Å; N1242-E1245 PolarHBondContact O-N 3.39Å; N1242-A1246 PolarHBondContact O-N 2.92Å; N1242-A1246 VanDerWaalsContact O-N 3.13Å |
| 1243 | Q | 71.3 | Confident | 75.6 | Confident | 57 Ų | 57 | 66.3 Ų | 66.3 | 27% | 0.266 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -63.9 | -40.7 | 174.2 | -69.1 | 166.1 | -84.1 | 0 | 0 | 111.3 | Q1239 Q1240 E1245 A1246 W1247 E1333 | Q1239-Q1243 PolarHBondContact O-N 3.33Å; Q1239-Q1243 VanDerWaalsContact O-N 3.11Å; Q1239-Q1243 PolarHBondContact O-OE1 3.11Å; Q1240-Q1243 PolarHBondContact O-N 3.3Å; Q1243-E1245 PolarHBondContact O-N 3.35Å; Q1243-A1246 WeakPolarHBondContact O-CB 3.5Å; Q1243-A1246 PolarHBondContact O-N 2.98Å; Q1243-W1247 PolarHBondContact O-N 3.48Å; Q1243-E1333 PolarHBondContact NE2-OE1 3.09Å |
| 1244 | Y | 69.9 | Low | 75.6 | Confident | 67 Ų | 67 | 64.9 Ų | 64.9 | 26% | 0.263 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -58.6 | -43.7 | 175 | -171.2 | -106.4 | 0 | 0 | 0 | 113.7 | Q1240 A1246 K1248 L1354 D1355 L1358 | Q1240-Y1244 PolarHBondContact O-N 3.29Å; Y1244-A1246 VanDerWaalsContact C-N 3.32Å; Y1244-A1246 PolarHBondContact O-N 2.99Å; Y1244-K1248 VanDerWaalsContact O-CB 3.25Å; Y1244-K1248 WeakPolarHBondContact O-CB 3.33Å; Y1244-K1248 PolarHBondContact O-N 3.26Å; Y1244-L1354 HydrophobicContact CD2-CD2 3.64Å; Y1244-L1354 HydrophobicContact CE2-CD2 4.14Å; Y1244-D1355 HydrophobicContact CE2-CB 4.31Å; Y1244-D1355 WeakPolarHBondContact OH-CB 3.4Å; Y1244-L1358 HydrophobicContact CD2-CD1 3.89Å; Y1244-L1358 HydrophobicContact CE2-CB 4.47Å; Y1244-L1358 HydrophobicContact CE2-CD1 3.4Å |
| 1245 | E | 70.2 | Confident | 75.8 | Confident | 38 Ų | 38 | 67.3 Ų | 67.3 | 18% | 0.178 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -69.7 | -26.9 | 174.7 | -84.3 | -73.7 | 141.6 | 0 | 0 | 112.8 | N1242 Q1243 K1248 K1249 | N1242-E1245 PolarHBondContact O-N 3.39Å; Q1243-E1245 PolarHBondContact O-N 3.35Å; E1245-K1248 WeakPolarHBondContact OE1-CD 3.31Å; E1245-K1248 IonicContact OE1-NZ 3.68Å; E1245-K1248 PolarHBondContact OE1-NZ 3.23Å; E1245-K1248 IonicContact OE2-NZ 2.7Å; E1245-K1249 WeakPolarHBondContact O-CG 3.11Å; E1245-K1249 PolarHBondContact O-N 2.8Å |
| 1246 | A | 72.1 | Confident | 75.8 | Confident | 48 Ų | 48 | 64.1 Ų | 64.1 | 40% | 0.397 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -69.7 | -50.3 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | N1242 Q1243 Y1244 K1248 K1249 Q1250 | N1242-A1246 PolarHBondContact O-N 2.92Å; N1242-A1246 VanDerWaalsContact O-N 3.13Å; Q1243-A1246 WeakPolarHBondContact O-CB 3.5Å; Q1243-A1246 PolarHBondContact O-N 2.98Å; Y1244-A1246 VanDerWaalsContact C-N 3.32Å; Y1244-A1246 PolarHBondContact O-N 2.99Å; A1246-K1248 VanDerWaalsContact C-N 3.33Å; A1246-K1248 PolarHBondContact O-N 3.23Å; A1246-K1249 PolarHBondContact O-N 3.15Å; A1246-K1249 VanDerWaalsContact O-N 3.13Å; A1246-Q1250 PolarHBondContact O-N 3.16Å |
| 1247 | W | 75.9 | Confident | 76.1 | Confident | 13 Ų | 13 | 63.7 Ų | 63.7 | 5% | 0.049 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.2 | -43.2 | 175.8 | -65.6 | -28.3 | 0 | 0 | 0 | 112 | Q1243 K1249 Q1250 L1251 E1329 L1330 E1333 L1354 L1358 | Q1243-W1247 PolarHBondContact O-N 3.48Å; W1247-K1249 VanDerWaalsContact C-N 3.28Å; W1247-K1249 PolarHBondContact O-N 3.14Å; W1247-Q1250 PolarHBondContact O-N 2.75Å; W1247-Q1250 VanDerWaalsContact O-N 3.15Å; W1247-L1251 VanDerWaalsContact O-CB 3.31Å; W1247-L1251 WeakPolarHBondContact O-CB 3.28Å; W1247-L1251 PolarHBondContact O-N 3.32Å; W1247-E1329 HydrophobicContact CZ2-CB 4.04Å; W1247-L1330 HydrophobicContact CD2-CD2 4.47Å; W1247-L1330 HydrophobicContact CD2-CG 4.4Å; W1247-L1330 HydrophobicContact CE3-CD2 3.74Å; W1247-L1330 HydrophobicContact CE3-CG 4.15Å; W1247-L1330 HydrophobicContact CH2-CD2 3.83Å; W1247-L1330 HydrophobicContact CH2-CG 4.08Å; W1247-L1330 HydrophobicContact CZ2-CG 4.34Å; W1247-L1330 HydrophobicContact CZ3-CD2 3.37Å; W1247-L1330 HydrophobicContact CZ3-CG 3.99Å; W1247-E1333 HydrophobicContact CH2-CB 4.39Å; W1247-E1333 HydrophobicContact CH2-CG 4.32Å; W1247-E1333 WeakPolarHBondContact CH2-OE1 3.28Å; W1247-E1333 WeakPolarHBondContact CH2-OE2 3.45Å; W1247-E1333 WeakPolarHBondContact CZ2-OE1 3.4Å; W1247-L1354 HydrophobicContact CE3-CD2 4.4Å; W1247-L1354 HydrophobicContact CH2-CD1 4.26Å; W1247-L1354 HydrophobicContact CZ3-CD1 3.87Å; W1247-L1354 HydrophobicContact CZ3-CD2 3.77Å; W1247-L1354 HydrophobicContact CZ3-CG 4.49Å; W1247-L1358 HydrophobicContact CB-CD1 4.5Å |
| 1248 | K | 74.6 | Confident | 76.5 | Confident | 104 Ų | 104 | 62.5 Ų | 62.5 | 45% | 0.452 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -58 | -36.1 | 175.5 | 179.1 | -179.1 | 164.9 | -165.1 | 0 | 113.2 | Y1244 E1245 A1246 Y1252 | Y1244-K1248 VanDerWaalsContact O-CB 3.25Å; Y1244-K1248 WeakPolarHBondContact O-CB 3.33Å; Y1244-K1248 PolarHBondContact O-N 3.26Å; E1245-K1248 WeakPolarHBondContact OE1-CD 3.31Å; E1245-K1248 IonicContact OE1-NZ 3.68Å; E1245-K1248 PolarHBondContact OE1-NZ 3.23Å; E1245-K1248 IonicContact OE2-NZ 2.7Å; A1246-K1248 VanDerWaalsContact C-N 3.33Å; A1246-K1248 PolarHBondContact O-N 3.23Å; K1248-Y1252 PolarHBondContact O-N 2.91Å |
| 1249 | K | 76.8 | Confident | 76.9 | Confident | 140 Ų | 140 | 64.6 Ų | 64.6 | 61% | 0.609 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -72.7 | -41.7 | 173.6 | -74.1 | 176.5 | 180 | -173.8 | 0 | 112.4 | E1245 A1246 W1247 L1251 Y1252 I1253 | E1245-K1249 WeakPolarHBondContact O-CG 3.11Å; E1245-K1249 PolarHBondContact O-N 2.8Å; A1246-K1249 PolarHBondContact O-N 3.15Å; A1246-K1249 VanDerWaalsContact O-N 3.13Å; W1247-K1249 VanDerWaalsContact C-N 3.28Å; W1247-K1249 PolarHBondContact O-N 3.14Å; K1249-L1251 VanDerWaalsContact C-N 3.33Å; K1249-L1251 PolarHBondContact O-N 3.34Å; K1249-Y1252 PolarHBondContact O-N 2.86Å; K1249-I1253 WeakPolarHBondContact O-CG1 3.34Å; K1249-I1253 PolarHBondContact O-N 3.38Å |
| 1250 | Q | 78.5 | Confident | 77.3 | Confident | 91 Ų | 91 | 63 Ų | 63 | 43% | 0.425 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -61.5 | -42.1 | 174.7 | -68.8 | 171.3 | -34.2 | 0 | 0 | 111.4 | A1246 W1247 Y1252 I1253 L1254 I1326 | A1246-Q1250 PolarHBondContact O-N 3.16Å; W1247-Q1250 PolarHBondContact O-N 2.75Å; W1247-Q1250 VanDerWaalsContact O-N 3.15Å; Q1250-Y1252 VanDerWaalsContact C-N 3.33Å; Q1250-Y1252 PolarHBondContact O-N 2.8Å; Q1250-I1253 PolarHBondContact O-N 2.98Å; Q1250-L1254 WeakPolarHBondContact O-CG 3.38Å; Q1250-L1254 PolarHBondContact O-N 3.04Å; Q1250-I1326 HydrophobicContact CB-CD1 3.78Å |
| 1251 | L | 79.4 | Confident | 78 | Confident | 9 Ų | 9 | 61.1 Ų | 61.1 | 5% | 0.047 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.9 | -39.5 | 177.1 | -164.7 | 73.8 | 0 | 0 | 0 | 112.5 | W1247 K1249 L1254 Q1255 L1358 E1361 I1362 L1365 | W1247-L1251 VanDerWaalsContact O-CB 3.31Å; W1247-L1251 WeakPolarHBondContact O-CB 3.28Å; W1247-L1251 PolarHBondContact O-N 3.32Å; K1249-L1251 VanDerWaalsContact C-N 3.33Å; K1249-L1251 PolarHBondContact O-N 3.34Å; L1251-L1254 PolarHBondContact O-N 3.09Å; L1251-Q1255 WeakPolarHBondContact O-CG 3.29Å; L1251-Q1255 PolarHBondContact O-N 3.01Å; L1251-L1358 HydrophobicContact CD2-CG 4.3Å; L1251-E1361 HydrophobicContact CD2-CB 3.87Å; L1251-I1362 HydrophobicContact CD1-CG1 3.83Å; L1251-L1365 HydrophobicContact CD1-CD1 3.54Å; L1251-L1365 HydrophobicContact CG-CD1 4.23Å |
| 1252 | Y | 78.2 | Confident | 78.7 | Confident | 133 Ų | 133 | 61.1 Ų | 61.1 | 52% | 0.522 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 174.3 | 179.8 | -108 | 0 | 0 | 0 | 112.6 | K1248 K1249 Q1250 L1254 Q1255 L1256 | K1248-Y1252 PolarHBondContact O-N 2.91Å; K1249-Y1252 PolarHBondContact O-N 2.86Å; Q1250-Y1252 VanDerWaalsContact C-N 3.33Å; Q1250-Y1252 PolarHBondContact O-N 2.8Å; Y1252-L1254 VanDerWaalsContact C-N 3.31Å; Y1252-L1254 PolarHBondContact O-N 3.43Å; Y1252-Q1255 WeakPolarHBondContact O-CB 3.46Å; Y1252-Q1255 PolarHBondContact O-N 2.89Å; Y1252-L1256 HydrophobicContact CD1-CD1 4.06Å; Y1252-L1256 HydrophobicContact CE1-CD1 3.61Å; Y1252-L1256 PolarHBondContact O-N 2.95Å; Y1252-L1256 VanDerWaalsContact O-N 3.08Å |
| 1253 | I | 81.3 | Confident | 79.2 | Confident | 99 Ų | 99 | 65.6 Ų | 65.6 | 51% | 0.508 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 174.7 | -65.1 | 165.5 | 0 | 0 | 0 | 111 | K1249 Q1250 L1256 R1257 | K1249-I1253 WeakPolarHBondContact O-CG1 3.34Å; K1249-I1253 PolarHBondContact O-N 3.38Å; Q1250-I1253 PolarHBondContact O-N 2.98Å; I1253-L1256 PolarHBondContact O-N 3.47Å; I1253-R1257 PolarHBondContact O-N 2.7Å; I1253-R1257 VanDerWaalsContact O-N 3.08Å |
| 1254 | L | 83.2 | Confident | 79.7 | Confident | 10 Ų | 10 | 64.7 Ų | 64.7 | 5% | 0.052 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -38.8 | 173.2 | -71.4 | 171.4 | 0 | 0 | 0 | 112.4 | Q1250 L1251 Y1252 R1257 M1258 L1319 A1322 L1323 I1326 L1365 | Q1250-L1254 WeakPolarHBondContact O-CG 3.38Å; Q1250-L1254 PolarHBondContact O-N 3.04Å; L1251-L1254 PolarHBondContact O-N 3.09Å; Y1252-L1254 VanDerWaalsContact C-N 3.31Å; Y1252-L1254 PolarHBondContact O-N 3.43Å; L1254-R1257 PolarHBondContact O-N 3.33Å; L1254-M1258 VanDerWaalsContact O-CB 3.27Å; L1254-M1258 WeakPolarHBondContact O-CB 3.21Å; L1254-M1258 WeakPolarHBondContact O-CG 3.4Å; L1254-M1258 PolarHBondContact O-N 3.35Å; L1254-L1319 HydrophobicContact CD2-CD2 3.6Å; L1254-A1322 HydrophobicContact CD2-CB 3.82Å; L1254-L1323 HydrophobicContact CD1-CD2 4Å; L1254-L1323 HydrophobicContact CD1-CG 4.35Å; L1254-I1326 HydrophobicContact CD1-CD1 3.56Å; L1254-L1365 HydrophobicContact CB-CD1 4.12Å |
| 1255 | Q | 84.6 | Confident | 80.2 | Confident | 53 Ų | 53 | 61.8 Ų | 61.8 | 25% | 0.248 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -62.1 | -42.3 | 174.7 | -74.5 | 175.1 | 19.2 | 0 | 0 | 112.1 | L1251 Y1252 M1258 H1259 E1361 L1365 | L1251-Q1255 WeakPolarHBondContact O-CG 3.29Å; L1251-Q1255 PolarHBondContact O-N 3.01Å; Y1252-Q1255 WeakPolarHBondContact O-CB 3.46Å; Y1252-Q1255 PolarHBondContact O-N 2.89Å; Q1255-M1258 PolarHBondContact O-N 3.41Å; Q1255-H1259 PolarHBondContact O-N 2.98Å; Q1255-E1361 PolarHBondContact NE2-OE2 3.09Å; Q1255-L1365 HydrophobicContact CG-CD1 4.21Å; Q1255-L1365 HydrophobicContact CG-CD2 3.84Å; Q1255-L1365 HydrophobicContact CG-CG 4.38Å |
| 1256 | L | 82.2 | Confident | 80.7 | Confident | 62 Ų | 62 | 69.3 Ų | 69.3 | 33% | 0.325 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -61.7 | -51.8 | 174.6 | -79.4 | 161.1 | 0 | 0 | 0 | 112.2 | Y1252 I1253 M1258 H1259 D1260 | Y1252-L1256 HydrophobicContact CD1-CD1 4.06Å; Y1252-L1256 HydrophobicContact CE1-CD1 3.61Å; Y1252-L1256 PolarHBondContact O-N 2.95Å; Y1252-L1256 VanDerWaalsContact O-N 3.08Å; I1253-L1256 PolarHBondContact O-N 3.47Å; L1256-M1258 VanDerWaalsContact C-N 3.32Å; L1256-M1258 PolarHBondContact O-N 2.88Å; L1256-H1259 WeakPolarHBondContact O-CB 3.38Å; L1256-H1259 PolarHBondContact O-N 2.88Å; L1256-H1259 VanDerWaalsContact O-N 3.15Å; L1256-D1260 PolarHBondContact O-N 3.24Å; L1256-D1260 VanDerWaalsContact O-N 3.09Å |
| 1257 | R | 85.9 | Confident | 81 | Confident | 74 Ų | 74 | 72 Ų | 72 | 28% | 0.279 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -62.9 | -36.4 | 178.6 | -70.8 | -177.4 | 71.1 | -170.1 | 3.9 | 112.7 | I1253 L1254 D1260 L1261 E1315 S1318 L1319 | I1253-R1257 PolarHBondContact O-N 2.7Å; I1253-R1257 VanDerWaalsContact O-N 3.08Å; L1254-R1257 PolarHBondContact O-N 3.33Å; R1257-D1260 PolarHBondContact O-N 3.33Å; R1257-L1261 PolarHBondContact O-N 2.93Å; R1257-E1315 IonicContact CZ-OE1 2.69Å; R1257-E1315 IonicContact CZ-OE2 2.66Å; R1257-E1315 IonicContact NE-OE1 2.85Å; R1257-E1315 PolarHBondContact NE-OE1 2.75Å; R1257-E1315 IonicContact NE-OE2 3.7Å; R1257-E1315 IonicContact NH2-OE1 3.01Å; R1257-E1315 PolarHBondContact NH2-OE1 3.4Å; R1257-E1315 IonicContact NH2-OE2 3.15Å; R1257-E1315 PolarHBondContact NH2-OE2 3.32Å; R1257-S1318 PolarHBondContact NH1-OG 3.06Å; R1257-S1318 PolarHBondContact NH2-OG 3.36Å; R1257-L1319 HydrophobicContact CB-CD1 4.41Å; R1257-L1319 HydrophobicContact CB-CD2 3.74Å |
| 1258 | M | 84.2 | Confident | 81.1 | Confident | 2 Ų | 2 | 71.8 Ų | 71.8 | 1% | 0.01 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -64.4 | -37.4 | 173.8 | -87.3 | -60.9 | -58.6 | 0 | 0 | 113.1 | L1254 Q1255 L1256 L1261 S1262 L1319 L1365 Q1368 L1369 N1372 | L1254-M1258 VanDerWaalsContact O-CB 3.27Å; L1254-M1258 WeakPolarHBondContact O-CB 3.21Å; L1254-M1258 WeakPolarHBondContact O-CG 3.4Å; L1254-M1258 PolarHBondContact O-N 3.35Å; Q1255-M1258 PolarHBondContact O-N 3.41Å; L1256-M1258 VanDerWaalsContact C-N 3.32Å; L1256-M1258 PolarHBondContact O-N 2.88Å; M1258-L1261 HydrophobicContact SD-CD2 4.11Å; M1258-S1262 PolarHBondContact O-N 3.06Å; M1258-S1262 VanDerWaalsContact O-N 3.08Å; M1258-S1262 PolarHBondContact O-OG 3.04Å; M1258-L1319 HydrophobicContact CG-CD1 4.28Å; M1258-L1319 HydrophobicContact CG-CD2 4.47Å; M1258-L1319 HydrophobicContact SD-CD1 3.8Å; M1258-L1365 HydrophobicContact CB-CD2 4.13Å; M1258-L1365 HydrophobicContact CG-CD2 3.78Å; M1258-Q1368 VanDerWaalsContact CE-C 3.42Å; M1258-Q1368 HydrophobicContact CE-CB 3.7Å; M1258-Q1368 HydrophobicContact CE-CG 3.45Å; M1258-Q1368 VanDerWaalsContact CE-CG 3.45Å; M1258-L1369 HydrophobicContact CE-CB 4.14Å; M1258-L1369 HydrophobicContact SD-CB 4.01Å; M1258-L1369 HydrophobicContact SD-CD1 3.78Å; M1258-L1369 HydrophobicContact SD-CG 4.47Å; M1258-N1372 VanDerWaalsContact CE-ND2 3.28Å; M1258-N1372 WeakPolarHBondContact CE-ND2 3.48Å |
| 1259 | H | 84 | Confident | 81.3 | Confident | 118 Ų | 118 | 67.4 Ų | 67.4 | 55% | 0.546 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.9 | -45.6 | 173.5 | 174.6 | -93.9 | 0 | 0 | 0 | 111.5 | Q1255 L1256 S1262 R1263 | Q1255-H1259 PolarHBondContact O-N 2.98Å; L1256-H1259 WeakPolarHBondContact O-CB 3.38Å; L1256-H1259 PolarHBondContact O-N 2.88Å; L1256-H1259 VanDerWaalsContact O-N 3.15Å; H1259-S1262 PolarHBondContact O-N 3.12Å; H1259-R1263 WeakPolarHBondContact O-CB 3.36Å; H1259-R1263 PolarHBondContact O-N 2.69Å |
| 1260 | D | 81.4 | Confident | 81.2 | Confident | 85 Ų | 85 | 66.3 Ų | 66.3 | 46% | 0.455 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -66.7 | -35.6 | 177.6 | -81.6 | -18.7 | 0 | 0 | 0 | 113.2 | L1256 R1257 R1263 L1264 | L1256-D1260 PolarHBondContact O-N 3.24Å; L1256-D1260 VanDerWaalsContact O-N 3.09Å; R1257-D1260 PolarHBondContact O-N 3.33Å; D1260-R1263 WeakPolarHBondContact O-CB 3.07Å; D1260-R1263 PolarHBondContact O-N 3.12Å; D1260-L1264 WeakPolarHBondContact O-CB 3.48Å; D1260-L1264 PolarHBondContact O-N 3.47Å |
| 1261 | L | 84 | Confident | 80.8 | Confident | 2 Ų | 2 | 64 Ų | 64 | 1% | 0.01 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61.2 | -44.6 | 170.5 | 173.8 | 62.1 | 0 | 0 | 0 | 111.7 | R1257 M1258 R1263 L1264 T1265 C1312 E1315 V1316 L1319 L1369 N1372 | R1257-L1261 PolarHBondContact O-N 2.93Å; M1258-L1261 HydrophobicContact SD-CD2 4.11Å; L1261-R1263 VanDerWaalsContact C-N 3.34Å; L1261-L1264 PolarHBondContact O-N 3.26Å; L1261-T1265 WeakPolarHBondContact O-CB 3.12Å; L1261-T1265 PolarHBondContact O-N 3.43Å; L1261-T1265 PolarHBondContact O-OG1 2.9Å; L1261-C1312 HydrophobicContact CD1-CB 4.18Å; L1261-E1315 HydrophobicContact CB-CG 4.37Å; L1261-E1315 HydrophobicContact CD1-CB 4.37Å; L1261-E1315 HydrophobicContact CD1-CG 4.47Å; L1261-V1316 HydrophobicContact CD1-CG2 4.01Å; L1261-V1316 HydrophobicContact CD2-CG2 3.58Å; L1261-V1316 HydrophobicContact CG-CG2 4.42Å; L1261-L1319 HydrophobicContact CB-CD1 4.35Å; L1261-L1319 HydrophobicContact CD2-CD1 3.84Å; L1261-L1369 HydrophobicContact CD2-CD1 3.89Å; L1261-N1372 HydrophobicContact CD2-CB 4.06Å; L1261-N1372 WeakPolarHBondContact CD2-ND2 3.44Å; L1261-N1372 HydrophobicContact CG-CB 4.34Å |
| 1262 | S | 83 | Confident | 80.2 | Confident | 25 Ų | 25 | 65.1 Ų | 65.1 | 18% | 0.175 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 175.1 | -68.4 | 0 | 0 | 0 | 0 | 112 | M1258 H1259 R1266 N1372 | M1258-S1262 PolarHBondContact O-N 3.06Å; M1258-S1262 VanDerWaalsContact O-N 3.08Å; M1258-S1262 PolarHBondContact O-OG 3.04Å; H1259-S1262 PolarHBondContact O-N 3.12Å; S1262-R1266 WeakPolarHBondContact O-CG 3.43Å; S1262-R1266 PolarHBondContact O-N 3.11Å; S1262-N1372 VanDerWaalsContact OG-CG 3.29Å; S1262-N1372 PolarHBondContact OG-ND2 2.94Å; S1262-N1372 PolarHBondContact OG-OD1 2.97Å |
| 1263 | R | 83 | Confident | 79.5 | Confident | 148 Ų | 148 | 66.7 Ų | 66.7 | 56% | 0.558 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -64.5 | -47.5 | 174.5 | -174.3 | -177.9 | -176.5 | -179.7 | 3.9 | 112 | H1259 D1260 L1261 R1266 Q1267 | H1259-R1263 WeakPolarHBondContact O-CB 3.36Å; H1259-R1263 PolarHBondContact O-N 2.69Å; D1260-R1263 WeakPolarHBondContact O-CB 3.07Å; D1260-R1263 PolarHBondContact O-N 3.12Å; L1261-R1263 VanDerWaalsContact C-N 3.34Å; R1263-R1266 PolarHBondContact O-N 3.13Å; R1263-Q1267 WeakPolarHBondContact O-CG 3.35Å; R1263-Q1267 PolarHBondContact O-N 3.32Å |
| 1264 | L | 80.5 | Confident | 78.2 | Confident | 37 Ų | 37 | 66.3 Ų | 66.3 | 19% | 0.194 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -63.8 | -41 | 177.8 | -175.3 | 62.9 | 0 | 0 | 0 | 111.4 | D1260 L1261 R1266 Q1267 I1268 R1311 C1312 | D1260-L1264 WeakPolarHBondContact O-CB 3.48Å; D1260-L1264 PolarHBondContact O-N 3.47Å; L1261-L1264 PolarHBondContact O-N 3.26Å; L1264-R1266 PolarHBondContact O-N 3.46Å; L1264-Q1267 PolarHBondContact O-N 3.04Å; L1264-I1268 HydrophobicContact CG-CD1 4.5Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.49Å; L1264-I1268 PolarHBondContact O-N 2.95Å; L1264-R1311 HydrophobicContact CD2-CB 4.36Å; L1264-R1311 HydrophobicContact CD2-CG 3.97Å; L1264-C1312 VanDerWaalsContact CD2-SG 3.56Å |
| 1265 | T | 80.6 | Confident | 76.5 | Confident | 6 Ų | 6 | 67.8 Ų | 67.8 | 4% | 0.037 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -63.2 | -39.9 | 176.1 | -55.4 | 0 | 0 | 0 | 0 | 111.7 | L1261 G1269 I1375 L1376 L1379 | L1261-T1265 WeakPolarHBondContact O-CB 3.12Å; L1261-T1265 PolarHBondContact O-N 3.43Å; L1261-T1265 PolarHBondContact O-OG1 2.9Å; T1265-G1269 PolarHBondContact O-N 3.41Å; T1265-I1375 HydrophobicContact CG2-CB 4.26Å; T1265-I1375 HydrophobicContact CG2-CG2 3.6Å; T1265-L1376 HydrophobicContact CG2-CD1 4.45Å; T1265-L1379 HydrophobicContact CG2-CD1 4.09Å |
| 1266 | R | 81.8 | Confident | 74.7 | Confident | 196 Ų | 196 | 73.7 Ų | 73.7 | 74% | 0.74 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -63.5 | -40.4 | 171.7 | -75.8 | 178.2 | 177.6 | -173.1 | -0.5 | 112.6 | S1262 R1263 L1264 G1269 L1270 | S1262-R1266 WeakPolarHBondContact O-CG 3.43Å; S1262-R1266 PolarHBondContact O-N 3.11Å; R1263-R1266 PolarHBondContact O-N 3.13Å; L1264-R1266 PolarHBondContact O-N 3.46Å; R1266-G1269 PolarHBondContact O-N 3.25Å; R1266-L1270 WeakPolarHBondContact O-CG 3.03Å; R1266-L1270 PolarHBondContact O-N 3.3Å |
| 1267 | Q | 78.7 | Confident | 72.7 | Confident | 105 Ų | 105 | 78.3 Ų | 78.3 | 49% | 0.491 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -64.1 | -42.6 | 177.6 | -74.4 | 176.5 | -32.2 | 0 | 0 | 112.5 | R1263 L1264 L1270 S1271 | R1263-Q1267 WeakPolarHBondContact O-CG 3.35Å; R1263-Q1267 PolarHBondContact O-N 3.32Å; L1264-Q1267 PolarHBondContact O-N 3.04Å; Q1267-L1270 PolarHBondContact O-N 3.32Å; Q1267-S1271 PolarHBondContact O-N 3.49Å |
| 1268 | I | 78.2 | Confident | 70.6 | Confident | 9 Ų | 9 | 80.4 Ų | 80.4 | 5% | 0.046 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.5 | -47.8 | 173.5 | -65.1 | 167.2 | 0 | 0 | 0 | 109.9 | L1264 L1270 S1271 M1272 G1308 F1309 C1312 L1379 | L1264-I1268 HydrophobicContact CG-CD1 4.5Å; L1264-I1268 WeakPolarHBondContact O-CG1 3.49Å; L1264-I1268 PolarHBondContact O-N 2.95Å; I1268-L1270 PolarHBondContact O-N 2.91Å; I1268-S1271 PolarHBondContact O-N 3.03Å; I1268-S1271 PolarHBondContact O-OG 2.72Å; I1268-M1272 HydrophobicContact CG2-SD 4.43Å; I1268-M1272 PolarHBondContact O-N 3.42Å; I1268-G1308 VanDerWaalsContact CD1-C 3.46Å; I1268-F1309 HydrophobicContact CG2-CE1 4.01Å; I1268-F1309 HydrophobicContact CG2-CE2 4.32Å; I1268-F1309 HydrophobicContact CG2-CZ 3.91Å; I1268-C1312 WeakPolarHBondContact CD1-SG 3.43Å; I1268-L1379 HydrophobicContact CG2-CD1 4.45Å |
| 1269 | G | 77 | Confident | 68.5 | Low | 12 Ų | 12 | 87.4 Ų | 87.4 | 12% | 0.124 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -53.1 | -53.3 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.8 | T1265 R1266 S1271 M1272 Y1273 | T1265-G1269 PolarHBondContact O-N 3.41Å; R1266-G1269 PolarHBondContact O-N 3.25Å; G1269-S1271 VanDerWaalsContact C-N 3.32Å; G1269-S1271 PolarHBondContact O-N 2.95Å; G1269-M1272 PolarHBondContact O-N 3.03Å; G1269-M1272 VanDerWaalsContact O-N 3.14Å; G1269-Y1273 WeakPolarHBondContact O-CD2 3.37Å; G1269-Y1273 PolarHBondContact O-N 2.94Å |
| 1270 | L | 74.9 | Confident | 66.1 | Low | 117 Ų | 117 | 86.8 Ų | 86.8 | 61% | 0.613 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -57.5 | -42.3 | 178.2 | -71.9 | 168.3 | 0 | 0 | 0 | 112.6 | R1266 Q1267 I1268 M1272 Y1273 T1274 | R1266-L1270 WeakPolarHBondContact O-CG 3.03Å; R1266-L1270 PolarHBondContact O-N 3.3Å; Q1267-L1270 PolarHBondContact O-N 3.32Å; I1268-L1270 PolarHBondContact O-N 2.91Å; L1270-M1272 PolarHBondContact O-N 3.31Å; L1270-Y1273 PolarHBondContact O-N 2.95Å; L1270-T1274 PolarHBondContact O-N 3.28Å; L1270-T1274 VanDerWaalsContact O-N 3.12Å; L1270-T1274 PolarHBondContact O-OG1 3.19Å |
| 1271 | S | 70.9 | Confident | 63.7 | Low | 42 Ų | 42 | 86.9 Ų | 86.9 | 29% | 0.294 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -62.2 | -25.7 | 179.6 | 71.6 | 0 | 0 | 0 | 0 | 114 | Q1267 I1268 G1269 T1274 | Q1267-S1271 PolarHBondContact O-N 3.49Å; I1268-S1271 PolarHBondContact O-N 3.03Å; I1268-S1271 PolarHBondContact O-OG 2.72Å; G1269-S1271 VanDerWaalsContact C-N 3.32Å; G1269-S1271 PolarHBondContact O-N 2.95Å; S1271-T1274 PolarHBondContact O-OG1 3.3Å |
| 1272 | M | 65.9 | Low | 61.3 | Low | 32 Ų | 32 | 94.2 Ų | 94.2 | 16% | 0.158 | 49% | 0.487 | C | S | . | . | H | α-helix | trans | -82.9 | -13.6 | 175.6 | -65 | 177.8 | 64.8 | 0 | 0 | 113.8 | I1268 G1269 L1270 S1275 I1305 F1309 L1379 L1382 F1383 | I1268-M1272 HydrophobicContact CG2-SD 4.43Å; I1268-M1272 PolarHBondContact O-N 3.42Å; G1269-M1272 PolarHBondContact O-N 3.03Å; G1269-M1272 VanDerWaalsContact O-N 3.14Å; L1270-M1272 PolarHBondContact O-N 3.31Å; M1272-S1275 PolarHBondContact O-OG 3.28Å; M1272-I1305 HydrophobicContact CG-CD1 4.4Å; M1272-F1309 HydrophobicContact SD-CZ 4.12Å; M1272-L1379 HydrophobicContact SD-CB 4.43Å; M1272-L1379 HydrophobicContact SD-CD2 4.11Å; M1272-L1382 HydrophobicContact CE-CB 4.01Å; M1272-F1383 HydrophobicContact CE-CB 3.8Å; M1272-F1383 HydrophobicContact CE-CD2 4.26Å |
| 1273 | Y | 63.5 | Low | 58.9 | Low | 167 Ų | 167 | 99.3 Ų | 99.3 | 66% | 0.655 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -92.2 | -40.9 | 173.3 | -82.9 | -90.7 | 0 | 0 | 0 | 111.8 | G1269 L1270 S1275 K1276 | G1269-Y1273 WeakPolarHBondContact O-CD2 3.37Å; G1269-Y1273 PolarHBondContact O-N 2.94Å; L1270-Y1273 PolarHBondContact O-N 2.95Å; Y1273-S1275 PolarHBondContact O-N 3.13Å; Y1273-K1276 PolarHBondContact O-N 3.2Å |
| 1274 | T | 55.1 | Low | 56.5 | Low | 91 Ų | 91 | 97.3 Ų | 97.3 | 56% | 0.558 | 53% | 0.529 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -18.6 | -177.5 | 46 | 0 | 0 | 0 | 0 | 114.5 | L1270 S1271 K1276 | L1270-T1274 PolarHBondContact O-N 3.28Å; L1270-T1274 VanDerWaalsContact O-N 3.12Å; L1270-T1274 PolarHBondContact O-OG1 3.19Å; S1271-T1274 PolarHBondContact O-OG1 3.3Å; T1274-K1276 VanDerWaalsContact C-N 3.29Å; T1274-K1276 PolarHBondContact O-N 3.1Å |
| 1275 | S | 47.1 | Very low | 54.1 | Low | 40 Ų | 40 | 103.1 Ų | 103.1 | 28% | 0.28 | 56% | 0.56 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.3 | -4.7 | 176.6 | 61.1 | 0 | 0 | 0 | 0 | 114.7 | M1272 Y1273 | M1272-S1275 PolarHBondContact O-OG 3.28Å; Y1273-S1275 PolarHBondContact O-N 3.13Å |
| 1276 | K | 46.4 | Very low | 52.1 | Low | 178 Ų | 178 | 110 Ų | 110 | 77% | 0.774 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -96.4 | -23 | -177.9 | -80.1 | -169.7 | 171.7 | -174.8 | 0 | 115.7 | Y1273 T1274 | Y1273-K1276 PolarHBondContact O-N 3.2Å; T1274-K1276 VanDerWaalsContact C-N 3.29Å; T1274-K1276 PolarHBondContact O-N 3.1Å |
| 1277 | E | 40.2 | Very low | 49.7 | Very low | 158 Ų | 158 | 107.4 Ų | 107.4 | 74% | 0.738 | 60% | 0.602 | S | S | * | * | S | Bend | trans | -103.7 | -8.5 | -166 | -63.3 | -177.6 | 143.5 | 0 | 0 | 114.5 | N1279 | E1277-N1279 PolarHBondContact O-N 3.34Š|
| 1278 | V | 43.1 | Very low | 47.4 | Very low | 119 Ų | 119 | 108.1 Ų | 108.1 | 72% | 0.721 | 61% | 0.614 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.4 | -17.3 | -171.9 | -176.9 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1279 | N | 38.5 | Very low | 45.1 | Very low | 149 Ų | 149 | 116.4 Ų | 116.4 | 80% | 0.797 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100 | 12.6 | -170.5 | -69.4 | 4 | 0 | 0 | 0 | 115 | E1277 | E1277-N1279 PolarHBondContact O-N 3.34Š|
| 1280 | S | 33.6 | Very low | 42.9 | Very low | 104 Ų | 104 | 124.5 Ų | 124.5 | 73% | 0.727 | 69% | 0.687 | S | S | * | * | trans | -107.1 | 64.5 | -176.3 | 63.2 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1281 | A | 32.2 | Very low | 40.8 | Very low | 87 Ų | 87 | 127.2 Ų | 127.2 | 72% | 0.719 | 70% | 0.7 | S | S | * | * | S | Bend | trans | -146.1 | 122 | 171 | 0 | 0 | 0 | 0 | 0 | 112.7 | ||
| 1282 | N | 33.6 | Very low | 38.7 | Very low | 156 Ų | 156 | 129.7 Ų | 129.7 | 83% | 0.834 | 72% | 0.717 | S | S | * | * | trans | 54.1 | 89.9 | 167.4 | -65.5 | -7.2 | 0 | 0 | 0 | 119.6 | ||||
| 1283 | P | 32.8 | Very low | 36.9 | Very low | 132 Ų | 132 | 135.4 Ų | 135.4 | 86% | 0.857 | 75% | 0.749 | S | S | * | * | trans | -102.4 | 111.1 | 150.3 | 33.8 | -23.7 | 0 | 0 | 0 | 111.1 | ||||
| 1284 | S | 32.1 | Very low | 35.4 | Very low | 107 Ų | 107 | 132.1 Ų | 132.1 | 75% | 0.748 | 75% | 0.75 | S | S | * | * | trans | -151.8 | 140.4 | 166.3 | 56.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1285 | N | 30.9 | Very low | 34.5 | Very low | 158 Ų | 158 | 135 Ų | 135 | 85% | 0.845 | 76% | 0.761 | S | S | * | * | S | Bend | trans | 53.8 | 78.7 | 174.4 | -64.6 | -0 | 0 | 0 | 0 | 118.1 | ||
| 1286 | V | 36.9 | Very low | 33.7 | Very low | 151 Ų | 151 | 139.9 Ų | 139.9 | 92% | 0.915 | 78% | 0.782 | S | S | * | * | -143.8 | 140.3 | 115.4 | -179.4 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1287 | D | 31.6 | Very low | 33.5 | Very low | 141 Ų | 141 | 135.9 Ų | 135.9 | 75% | 0.754 | 77% | 0.765 | S | S | * | * | trans | -87.2 | 166.6 | -176.7 | -96.9 | -58.6 | 0 | 0 | 0 | 114.8 | ||||
| 1288 | T | 30.8 | Very low | 33.8 | Very low | 121 Ų | 121 | 131.5 Ų | 131.5 | 74% | 0.742 | 75% | 0.746 | S | S | * | * | trans | 72.2 | 111.1 | 162.7 | 45.3 | 0 | 0 | 0 | 0 | 121.1 | ||||
| 1289 | Q | 29.7 | Very low | 34.3 | Very low | 182 Ų | 182 | 133.6 Ų | 133.6 | 85% | 0.85 | 75% | 0.749 | S | S | * | * | trans | 83.2 | 144.1 | 144.3 | -63.6 | -179.3 | -17.4 | 0 | 0 | 120.1 | ||||
| 1290 | H | 31.1 | Very low | 35.2 | Very low | 182 Ų | 182 | 131.3 Ų | 131.3 | 84% | 0.843 | 74% | 0.736 | S | S | * | * | trans | 58.1 | 85.5 | -178.1 | -85.1 | -81.8 | 0 | 0 | 0 | 118.4 | S1292 | H1290-S1292 PolarHBondContact O-N 3.13Š| ||
| 1291 | I | 30.7 | Very low | 36.4 | Very low | 174 Ų | 174 | 130.1 Ų | 130.1 | 89% | 0.892 | 72% | 0.719 | S | S | * | * | trans | -69.4 | 111.9 | 156.6 | -61 | 162.4 | 0 | 0 | 0 | 108.8 | ||||
| 1292 | S | 28 | Very low | 37.9 | Very low | 94 Ų | 94 | 127.5 Ų | 127.5 | 66% | 0.657 | 70% | 0.696 | S | S | * | * | trans | -172.8 | 166.1 | 157.2 | -82.4 | 0 | 0 | 0 | 0 | 111 | H1290 | H1290-S1292 PolarHBondContact O-N 3.13Š| ||
| 1293 | D | 27.5 | Very low | 39.7 | Very low | 152 Ų | 152 | 123.7 Ų | 123.7 | 81% | 0.813 | 68% | 0.675 | S | S | * | * | trans | 75.3 | 155.5 | 162.9 | -54.8 | -28.6 | 0 | 0 | 0 | 120.6 | ||||
| 1294 | S | 31 | Very low | 41.5 | Very low | 99 Ų | 99 | 120.3 Ų | 120.3 | 69% | 0.692 | 65% | 0.647 | S | S | * | * | trans | 80.3 | 43.3 | 164.3 | 74.4 | 0 | 0 | 0 | 0 | 121.4 | I1296 | S1294-I1296 PolarHBondContact O-N 3.42Š| ||
| 1295 | I | 35.9 | Very low | 43.5 | Very low | 151 Ų | 151 | 115.8 Ų | 115.8 | 77% | 0.774 | 61% | 0.614 | S | S | * | * | trans | -76.3 | 80.9 | 146.4 | -55.8 | -179 | 0 | 0 | 0 | 108.4 | F1297 | I1295-F1297 PolarHBondContact O-N 3.03Š| ||
| 1296 | I | 31.5 | Very low | 45.5 | Very low | 142 Ų | 142 | 110.4 Ų | 110.4 | 73% | 0.728 | 59% | 0.587 | S | S | * | * | trans | -83.9 | 102 | 179 | -60 | 175.4 | 0 | 0 | 0 | 109.3 | S1294 D1298 | S1294-I1296 PolarHBondContact O-N 3.42Å; I1296-D1298 PolarHBondContact O-N 3.01Å | ||
| 1297 | F | 42.6 | Very low | 47.3 | Very low | 94 Ų | 94 | 105.4 Ų | 105.4 | 41% | 0.412 | 56% | 0.558 | S | S | . | * | trans | -71.9 | 117.4 | 154.2 | -97.4 | -88.6 | 0 | 0 | 0 | 108.3 | I1295 E1299 | I1295-F1297 PolarHBondContact O-N 3.03Å; F1297-E1299 PolarHBondContact O-N 3.19Å | ||
| 1298 | D | 46.9 | Very low | 49.5 | Very low | 66 Ų | 66 | 99.4 Ų | 99.4 | 35% | 0.353 | 53% | 0.53 | S | S | . | . | trans | -56.7 | 125.7 | 171.6 | 167.5 | 23 | 0 | 0 | 0 | 110.5 | I1296 N1300 Q1301 S1302 | I1296-D1298 PolarHBondContact O-N 3.01Å; D1298-N1300 PolarHBondContact O-N 2.99Å; D1298-N1300 VanDerWaalsContact O-N 3.14Å; D1298-N1300 WeakPolarHBondContact OD1-CB 3.31Å; D1298-N1300 PolarHBondContact OD1-N 3.34Å; D1298-N1300 PolarHBondContact OD1-ND2 3.16Å; D1298-Q1301 HydrophobicContact CB-CG 4.24Å; D1298-Q1301 WeakPolarHBondContact O-CB 3.39Å; D1298-Q1301 PolarHBondContact O-N 3.09Å; D1298-S1302 PolarHBondContact O-N 2.8Å | ||
| 1299 | E | 53 | Low | 51.9 | Low | 164 Ų | 164 | 94.2 Ų | 94.2 | 77% | 0.766 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -55 | -32.6 | 177.9 | -66.9 | -173.2 | 122.2 | 0 | 0 | 111.4 | F1297 Q1301 S1302 D1303 | F1297-E1299 PolarHBondContact O-N 3.19Å; E1299-Q1301 PolarHBondContact O-N 3.44Å; E1299-Q1301 VanDerWaalsContact O-N 3.07Å; E1299-S1302 PolarHBondContact O-N 3.09Å; E1299-S1302 PolarHBondContact O-OG 3.2Å; E1299-S1302 VanDerWaalsContact O-OG 3.13Å; E1299-D1303 WeakPolarHBondContact O-CB 3.18Å; E1299-D1303 PolarHBondContact O-N 3.41Å; E1299-D1303 VanDerWaalsContact O-N 3.1Å |
| 1300 | N | 57.5 | Low | 54.3 | Low | 100 Ų | 100 | 91.5 Ų | 91.5 | 54% | 0.535 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68 | -5.6 | 176.3 | -57.8 | -89.7 | 0 | 0 | 0 | 113.6 | D1298 K1304 | D1298-N1300 PolarHBondContact O-N 2.99Å; D1298-N1300 VanDerWaalsContact O-N 3.14Å; D1298-N1300 WeakPolarHBondContact OD1-CB 3.31Å; D1298-N1300 PolarHBondContact OD1-N 3.34Å; D1298-N1300 PolarHBondContact OD1-ND2 3.16Å; N1300-K1304 WeakPolarHBondContact O-CD 3.19Å; N1300-K1304 WeakPolarHBondContact O-CE 3.49Å; N1300-K1304 VanDerWaalsContact O-CG 3.24Å; N1300-K1304 WeakPolarHBondContact O-CG 3.44Å; N1300-K1304 PolarHBondContact O-NZ 2.82Å |
| 1301 | Q | 58.2 | Low | 56.6 | Low | 80 Ų | 80 | 91.1 Ų | 91.1 | 37% | 0.374 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -100.6 | -42.2 | 171.3 | -61.6 | -165.9 | 26.8 | 0 | 0 | 112.5 | D1298 E1299 D1303 K1304 I1305 | D1298-Q1301 HydrophobicContact CB-CG 4.24Å; D1298-Q1301 WeakPolarHBondContact O-CB 3.39Å; D1298-Q1301 PolarHBondContact O-N 3.09Å; E1299-Q1301 PolarHBondContact O-N 3.44Å; E1299-Q1301 VanDerWaalsContact O-N 3.07Å; Q1301-D1303 VanDerWaalsContact C-N 3.26Å; Q1301-D1303 PolarHBondContact O-N 3.2Å; Q1301-K1304 PolarHBondContact O-N 3.46Å; Q1301-I1305 WeakPolarHBondContact O-CG1 3.25Å; Q1301-I1305 PolarHBondContact O-N 3.19Å |
| 1302 | S | 64.5 | Low | 59 | Low | 32 Ų | 32 | 82.9 Ų | 82.9 | 22% | 0.224 | 43% | 0.431 | C | S | . | . | H | α-helix | trans | -62.5 | -36.7 | 176.2 | 63.6 | 0 | 0 | 0 | 0 | 111.4 | D1298 E1299 I1305 T1306 | D1298-S1302 PolarHBondContact O-N 2.8Å; E1299-S1302 PolarHBondContact O-N 3.09Å; E1299-S1302 PolarHBondContact O-OG 3.2Å; E1299-S1302 VanDerWaalsContact O-OG 3.13Å; S1302-I1305 PolarHBondContact O-N 3.32Å; S1302-T1306 VanDerWaalsContact O-CB 3.24Å; S1302-T1306 WeakPolarHBondContact O-CB 3.48Å; S1302-T1306 PolarHBondContact O-N 3.27Å; S1302-T1306 PolarHBondContact O-OG1 3.32Å |
| 1303 | D | 70.3 | Confident | 61.6 | Low | 75 Ų | 75 | 82 Ų | 82 | 40% | 0.401 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -67.4 | -38.9 | 176.9 | -141.5 | 30.1 | 0 | 0 | 0 | 111.9 | E1299 Q1301 C1307 | E1299-D1303 WeakPolarHBondContact O-CB 3.18Å; E1299-D1303 PolarHBondContact O-N 3.41Å; E1299-D1303 VanDerWaalsContact O-N 3.1Å; Q1301-D1303 VanDerWaalsContact C-N 3.26Å; Q1301-D1303 PolarHBondContact O-N 3.2Å; D1303-C1307 WeakPolarHBondContact O-CB 3.34Å; D1303-C1307 PolarHBondContact O-N 3.27Å; D1303-C1307 PolarHBondContact O-SG 2.81Å |
| 1304 | K | 71.6 | Confident | 64.2 | Low | 61 Ų | 61 | 80.7 Ų | 80.7 | 27% | 0.265 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -63.9 | -48.1 | 173.2 | -75 | 174.8 | -168.3 | 120.6 | 0 | 112 | N1300 Q1301 T1306 C1307 G1308 C1527 | N1300-K1304 WeakPolarHBondContact O-CD 3.19Å; N1300-K1304 WeakPolarHBondContact O-CE 3.49Å; N1300-K1304 VanDerWaalsContact O-CG 3.24Å; N1300-K1304 WeakPolarHBondContact O-CG 3.44Å; N1300-K1304 PolarHBondContact O-NZ 2.82Å; Q1301-K1304 PolarHBondContact O-N 3.46Å; K1304-T1306 VanDerWaalsContact C-N 3.34Å; K1304-C1307 PolarHBondContact O-N 2.64Å; K1304-G1308 PolarHBondContact O-N 2.95Å; K1304-C1527 VanDerWaalsContact CE-SG 3.52Å; K1304-C1527 PolarHBondContact NZ-SG 3.31Å |
| 1305 | I | 73 | Confident | 66.6 | Low | 13 Ų | 13 | 78.4 Ų | 78.4 | 7% | 0.067 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -63.2 | -43.5 | 179.7 | -68.6 | 167 | 0 | 0 | 0 | 109.8 | M1272 Q1301 S1302 C1307 G1308 F1309 F1383 | M1272-I1305 HydrophobicContact CG-CD1 4.4Å; Q1301-I1305 WeakPolarHBondContact O-CG1 3.25Å; Q1301-I1305 PolarHBondContact O-N 3.19Å; S1302-I1305 PolarHBondContact O-N 3.32Å; I1305-C1307 PolarHBondContact O-N 2.96Å; I1305-G1308 WeakPolarHBondContact O-CA 3.42Å; I1305-G1308 PolarHBondContact O-N 3.33Å; I1305-G1308 VanDerWaalsContact O-N 3.13Å; I1305-F1309 HydrophobicContact CG2-CD2 3.79Å; I1305-F1309 HydrophobicContact CG2-CE2 3.43Å; I1305-F1309 VanDerWaalsContact CG2-CE2 3.43Å; I1305-F1309 HydrophobicContact CG2-CZ 4.43Å; I1305-F1309 VanDerWaalsContact O-CD2 3.28Å; I1305-F1309 WeakPolarHBondContact O-CD2 3.47Å; I1305-F1309 PolarHBondContact O-N 2.92Å; I1305-F1383 HydrophobicContact CB-CE2 4.02Å; I1305-F1383 HydrophobicContact CB-CZ 4.45Å; I1305-F1383 HydrophobicContact CD1-CE2 4.33Å; I1305-F1383 HydrophobicContact CG2-CD2 3.79Å; I1305-F1383 HydrophobicContact CG2-CE2 3.48Å; I1305-F1383 VanDerWaalsContact CG2-CE2 3.48Å; I1305-F1383 HydrophobicContact CG2-CZ 4.04Å |
| 1306 | T | 74.3 | Confident | 68.9 | Low | 44 Ų | 44 | 71.3 Ų | 71.3 | 27% | 0.27 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 175.1 | -59.8 | 0 | 0 | 0 | 0 | 112.4 | S1302 K1304 K1310 | S1302-T1306 VanDerWaalsContact O-CB 3.24Å; S1302-T1306 WeakPolarHBondContact O-CB 3.48Å; S1302-T1306 PolarHBondContact O-N 3.27Å; S1302-T1306 PolarHBondContact O-OG1 3.32Å; K1304-T1306 VanDerWaalsContact C-N 3.34Å; T1306-K1310 HydrophobicContact CG2-CD 4.45Å; T1306-K1310 WeakPolarHBondContact O-CG 3.44Å; T1306-K1310 PolarHBondContact O-N 2.94Å |
| 1307 | C | 73.9 | Confident | 71.4 | Confident | 46 Ų | 46 | 68.9 Ų | 68.9 | 31% | 0.311 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -67.4 | -35.7 | 173 | -70.8 | 0 | 0 | 0 | 0 | 112.5 | D1303 K1304 I1305 K1310 R1311 | D1303-C1307 WeakPolarHBondContact O-CB 3.34Å; D1303-C1307 PolarHBondContact O-N 3.27Å; D1303-C1307 PolarHBondContact O-SG 2.81Å; K1304-C1307 PolarHBondContact O-N 2.64Å; I1305-C1307 PolarHBondContact O-N 2.96Å; C1307-K1310 PolarHBondContact O-N 3.24Å; C1307-R1311 PolarHBondContact O-N 2.99Å |
| 1308 | G | 77 | Confident | 73.5 | Confident | 15 Ų | 15 | 66.6 Ų | 66.6 | 16% | 0.155 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.8 | -51.9 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | I1268 K1304 I1305 K1310 R1311 C1312 | I1268-G1308 VanDerWaalsContact CD1-C 3.46Å; K1304-G1308 PolarHBondContact O-N 2.95Å; I1305-G1308 WeakPolarHBondContact O-CA 3.42Å; I1305-G1308 PolarHBondContact O-N 3.33Å; I1305-G1308 VanDerWaalsContact O-N 3.13Å; G1308-K1310 PolarHBondContact O-N 3.29Å; G1308-R1311 PolarHBondContact O-N 2.71Å; G1308-R1311 VanDerWaalsContact O-N 3.16Å; G1308-C1312 PolarHBondContact O-N 3.04Å |
| 1309 | F | 81.2 | Confident | 75.3 | Confident | 12 Ų | 12 | 63.5 Ų | 63.5 | 5% | 0.053 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.6 | -46.7 | 175.8 | -76.6 | -60.5 | 0 | 0 | 0 | 112.4 | I1268 M1272 I1305 R1311 C1312 F1313 L1376 L1379 I1380 F1383 | I1268-F1309 HydrophobicContact CG2-CE1 4.01Å; I1268-F1309 HydrophobicContact CG2-CE2 4.32Å; I1268-F1309 HydrophobicContact CG2-CZ 3.91Å; M1272-F1309 HydrophobicContact SD-CZ 4.12Å; I1305-F1309 HydrophobicContact CG2-CD2 3.79Å; I1305-F1309 HydrophobicContact CG2-CE2 3.43Å; I1305-F1309 VanDerWaalsContact CG2-CE2 3.43Å; I1305-F1309 HydrophobicContact CG2-CZ 4.43Å; I1305-F1309 VanDerWaalsContact O-CD2 3.28Å; I1305-F1309 WeakPolarHBondContact O-CD2 3.47Å; I1305-F1309 PolarHBondContact O-N 2.92Å; F1309-R1311 VanDerWaalsContact C-N 3.29Å; F1309-R1311 PolarHBondContact O-N 3.02Å; F1309-C1312 PolarHBondContact O-N 3.47Å; F1309-F1313 VanDerWaalsContact O-CD2 3.28Å; F1309-F1313 WeakPolarHBondContact O-CD2 3.36Å; F1309-F1313 PolarHBondContact O-N 2.9Å; F1309-L1376 HydrophobicContact CD1-CD1 3.69Å; F1309-L1376 HydrophobicContact CD1-CG 4.06Å; F1309-L1376 HydrophobicContact CE1-CD1 3.99Å; F1309-L1376 HydrophobicContact CE1-CG 4.4Å; F1309-L1379 HydrophobicContact CE1-CB 3.74Å; F1309-L1379 HydrophobicContact CZ-CB 3.83Å; F1309-I1380 HydrophobicContact CD1-CD1 4.13Å; F1309-I1380 HydrophobicContact CD1-CG1 3.69Å; F1309-I1380 HydrophobicContact CE1-CD1 4.38Å; F1309-I1380 HydrophobicContact CE1-CG1 3.57Å; F1309-I1380 HydrophobicContact CE2-CG1 4.46Å; F1309-I1380 HydrophobicContact CG-CG1 4.23Å; F1309-I1380 HydrophobicContact CZ-CG1 3.98Å; F1309-F1383 HydrophobicContact CE2-CB 4.24Å; F1309-F1383 HydrophobicContact CE2-CD1 4.35Å; F1309-F1383 HydrophobicContact CE2-CD2 4.4Å; F1309-F1383 HydrophobicContact CE2-CG 4.11Å |
| 1310 | K | 81.5 | Confident | 76.9 | Confident | 126 Ų | 126 | 58.1 Ų | 58.1 | 55% | 0.548 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -57.2 | -40.7 | 175.9 | -74.5 | 169.5 | -177.8 | 167.3 | 0 | 112.2 | T1306 C1307 G1308 L1314 | T1306-K1310 HydrophobicContact CG2-CD 4.45Å; T1306-K1310 WeakPolarHBondContact O-CG 3.44Å; T1306-K1310 PolarHBondContact O-N 2.94Å; C1307-K1310 PolarHBondContact O-N 3.24Å; G1308-K1310 PolarHBondContact O-N 3.29Å; K1310-L1314 WeakPolarHBondContact O-CG 3.45Å; K1310-L1314 PolarHBondContact O-N 3.1Å |
| 1311 | R | 79.1 | Confident | 78.3 | Confident | 174 Ų | 174 | 59.6 Ų | 59.6 | 66% | 0.657 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -67.7 | -42.5 | 177.1 | -172.1 | 174.5 | -179.8 | 170.7 | -0.6 | 112.3 | L1264 C1307 G1308 F1309 E1315 | L1264-R1311 HydrophobicContact CD2-CB 4.36Å; L1264-R1311 HydrophobicContact CD2-CG 3.97Å; C1307-R1311 PolarHBondContact O-N 2.99Å; G1308-R1311 PolarHBondContact O-N 2.71Å; G1308-R1311 VanDerWaalsContact O-N 3.16Å; F1309-R1311 VanDerWaalsContact C-N 3.29Å; F1309-R1311 PolarHBondContact O-N 3.02Å; R1311-E1315 PolarHBondContact O-N 3.17Å; R1311-E1315 VanDerWaalsContact O-N 3.15Å |
| 1312 | C | 81.3 | Confident | 79.5 | Confident | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.9 | -41.2 | 175.2 | -76 | 0 | 0 | 0 | 0 | 112.7 | L1261 L1264 I1268 G1308 F1309 E1315 V1316 L1376 | L1261-C1312 HydrophobicContact CD1-CB 4.18Å; L1264-C1312 VanDerWaalsContact CD2-SG 3.56Å; I1268-C1312 WeakPolarHBondContact CD1-SG 3.43Å; G1308-C1312 PolarHBondContact O-N 3.04Å; F1309-C1312 PolarHBondContact O-N 3.47Å; C1312-E1315 PolarHBondContact O-N 3.1Å; C1312-V1316 WeakPolarHBondContact O-CB 3.37Å; C1312-V1316 VanDerWaalsContact O-CG2 3.29Å; C1312-V1316 WeakPolarHBondContact O-CG2 3.49Å; C1312-V1316 PolarHBondContact O-N 3.16Å; C1312-L1376 HydrophobicContact CB-CD1 3.58Å; C1312-L1376 HydrophobicContact CB-CD2 3.68Å; C1312-L1376 HydrophobicContact CB-CG 4.31Å |
| 1313 | F | 81.4 | Confident | 80.4 | Confident | 75 Ų | 75 | 55.8 Ų | 55.8 | 33% | 0.329 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 177.6 | -82.7 | -63.7 | 0 | 0 | 0 | 112.8 | F1309 E1315 V1316 D1317 L1376 I1380 | F1309-F1313 VanDerWaalsContact O-CD2 3.28Å; F1309-F1313 WeakPolarHBondContact O-CD2 3.36Å; F1309-F1313 PolarHBondContact O-N 2.9Å; F1313-E1315 PolarHBondContact O-N 3.41Å; F1313-V1316 PolarHBondContact O-N 3.03Å; F1313-D1317 PolarHBondContact O-N 3.35Å; F1313-L1376 HydrophobicContact CD1-CD2 3.92Å; F1313-L1376 HydrophobicContact CD2-CD2 4.03Å; F1313-L1376 HydrophobicContact CE1-CD2 3.85Å; F1313-L1376 HydrophobicContact CE2-CD2 3.99Å; F1313-L1376 HydrophobicContact CG-CD2 4Å; F1313-L1376 HydrophobicContact CZ-CD2 3.9Å; F1313-I1380 HydrophobicContact CE2-CD1 3.41Å; F1313-I1380 VanDerWaalsContact CE2-CD1 3.41Å; F1313-I1380 HydrophobicContact CZ-CD1 3.36Å |
| 1314 | L | 81.8 | Confident | 81.1 | Confident | 125 Ų | 125 | 57.6 Ų | 57.6 | 65% | 0.654 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -59.7 | -36.5 | 177.5 | -70.5 | 169.2 | 0 | 0 | 0 | 112.4 | K1310 S1318 | K1310-L1314 WeakPolarHBondContact O-CG 3.45Å; K1310-L1314 PolarHBondContact O-N 3.1Å; L1314-S1318 VanDerWaalsContact O-CB 3.28Å; L1314-S1318 WeakPolarHBondContact O-CB 3.49Å; L1314-S1318 PolarHBondContact O-N 3.31Å |
| 1315 | E | 82.7 | Confident | 81.6 | Confident | 51 Ų | 51 | 59.9 Ų | 59.9 | 24% | 0.238 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -73 | -39.9 | 176.8 | -167.2 | 64.5 | -171.5 | 0 | 0 | 111.9 | R1257 L1261 R1311 C1312 F1313 S1318 L1319 | R1257-E1315 IonicContact CZ-OE1 2.69Å; R1257-E1315 IonicContact CZ-OE2 2.66Å; R1257-E1315 IonicContact NE-OE1 2.85Å; R1257-E1315 PolarHBondContact NE-OE1 2.75Å; R1257-E1315 IonicContact NE-OE2 3.7Å; R1257-E1315 IonicContact NH2-OE1 3.01Å; R1257-E1315 PolarHBondContact NH2-OE1 3.4Å; R1257-E1315 IonicContact NH2-OE2 3.15Å; R1257-E1315 PolarHBondContact NH2-OE2 3.32Å; L1261-E1315 HydrophobicContact CB-CG 4.37Å; L1261-E1315 HydrophobicContact CD1-CB 4.37Å; L1261-E1315 HydrophobicContact CD1-CG 4.47Å; R1311-E1315 PolarHBondContact O-N 3.17Å; R1311-E1315 VanDerWaalsContact O-N 3.15Å; C1312-E1315 PolarHBondContact O-N 3.1Å; F1313-E1315 PolarHBondContact O-N 3.41Å; E1315-S1318 PolarHBondContact O-N 3.48Å; E1315-L1319 HydrophobicContact CG-CD1 4.02Å; E1315-L1319 WeakPolarHBondContact O-CB 3.27Å; E1315-L1319 WeakPolarHBondContact O-CD1 3.4Å; E1315-L1319 VanDerWaalsContact O-CG 3.23Å; E1315-L1319 WeakPolarHBondContact O-CG 3.3Å; E1315-L1319 PolarHBondContact O-N 3.18Å |
| 1316 | V | 83.9 | Confident | 82 | Confident | 3 Ų | 3 | 59.8 Ų | 59.8 | 2% | 0.018 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -58.8 | -48.7 | 172.4 | 164 | 0 | 0 | 0 | 0 | 111.3 | L1261 C1312 F1313 L1319 N1320 L1369 | L1261-V1316 HydrophobicContact CD1-CG2 4.01Å; L1261-V1316 HydrophobicContact CD2-CG2 3.58Å; L1261-V1316 HydrophobicContact CG-CG2 4.42Å; C1312-V1316 WeakPolarHBondContact O-CB 3.37Å; C1312-V1316 VanDerWaalsContact O-CG2 3.29Å; C1312-V1316 WeakPolarHBondContact O-CG2 3.49Å; C1312-V1316 PolarHBondContact O-N 3.16Å; F1313-V1316 PolarHBondContact O-N 3.03Å; V1316-L1319 PolarHBondContact O-N 2.94Å; V1316-N1320 WeakPolarHBondContact O-CB 3.47Å; V1316-N1320 PolarHBondContact O-N 3.42Å; V1316-L1369 HydrophobicContact CB-CD1 4.31Å; V1316-L1369 HydrophobicContact CG1-CD1 4.12Å; V1316-L1369 HydrophobicContact CG2-CD1 4.12Å |
| 1317 | D | 83.5 | Confident | 82.2 | Confident | 91 Ų | 91 | 61.3 Ų | 61.3 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -67.4 | -38.3 | -178.7 | -66.7 | -23.1 | 0 | 0 | 0 | 111.2 | F1313 L1319 N1320 F1321 | F1313-D1317 PolarHBondContact O-N 3.35Å; D1317-L1319 VanDerWaalsContact C-N 3.35Å; D1317-L1319 PolarHBondContact O-N 2.98Å; D1317-N1320 PolarHBondContact O-N 3.46Å; D1317-F1321 PolarHBondContact O-N 2.94Å |
| 1318 | S | 85.9 | Confident | 82.5 | Confident | 46 Ų | 46 | 61.4 Ų | 61.4 | 32% | 0.322 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -64.5 | -36.6 | 173.8 | 179.4 | 0 | 0 | 0 | 0 | 112.9 | R1257 L1314 E1315 A1322 | R1257-S1318 PolarHBondContact NH1-OG 3.06Å; R1257-S1318 PolarHBondContact NH2-OG 3.36Å; L1314-S1318 VanDerWaalsContact O-CB 3.28Å; L1314-S1318 WeakPolarHBondContact O-CB 3.49Å; L1314-S1318 PolarHBondContact O-N 3.31Å; E1315-S1318 PolarHBondContact O-N 3.48Å; S1318-A1322 PolarHBondContact O-N 2.87Å |
| 1319 | L | 85.6 | Confident | 82.4 | Confident | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -74.9 | -37.9 | 177.6 | -75.3 | 165.3 | 0 | 0 | 0 | 112.1 | L1254 R1257 M1258 L1261 E1315 V1316 D1317 A1322 L1323 L1369 | L1254-L1319 HydrophobicContact CD2-CD2 3.6Å; R1257-L1319 HydrophobicContact CB-CD1 4.41Å; R1257-L1319 HydrophobicContact CB-CD2 3.74Å; M1258-L1319 HydrophobicContact CG-CD1 4.28Å; M1258-L1319 HydrophobicContact CG-CD2 4.47Å; M1258-L1319 HydrophobicContact SD-CD1 3.8Å; L1261-L1319 HydrophobicContact CB-CD1 4.35Å; L1261-L1319 HydrophobicContact CD2-CD1 3.84Å; E1315-L1319 HydrophobicContact CG-CD1 4.02Å; E1315-L1319 WeakPolarHBondContact O-CB 3.27Å; E1315-L1319 WeakPolarHBondContact O-CD1 3.4Å; E1315-L1319 VanDerWaalsContact O-CG 3.23Å; E1315-L1319 WeakPolarHBondContact O-CG 3.3Å; E1315-L1319 PolarHBondContact O-N 3.18Å; V1316-L1319 PolarHBondContact O-N 2.94Å; D1317-L1319 VanDerWaalsContact C-N 3.35Å; D1317-L1319 PolarHBondContact O-N 2.98Å; L1319-A1322 PolarHBondContact O-N 3.32Å; L1319-L1323 WeakPolarHBondContact O-CG 3.4Å; L1319-L1323 PolarHBondContact O-N 3.13Å; L1319-L1369 HydrophobicContact CB-CD1 4.09Å; L1319-L1369 HydrophobicContact CB-CD2 4.26Å |
| 1320 | N | 87.6 | Confident | 82 | Confident | 51 Ų | 51 | 63.9 Ų | 63.9 | 27% | 0.273 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -60.9 | -49.4 | 174.7 | -166.7 | 93.9 | 0 | 0 | 0 | 110.9 | V1316 D1317 A1322 L1323 E1324 L1369 | V1316-N1320 WeakPolarHBondContact O-CB 3.47Å; V1316-N1320 PolarHBondContact O-N 3.42Å; D1317-N1320 PolarHBondContact O-N 3.46Å; N1320-A1322 VanDerWaalsContact C-N 3.34Å; N1320-A1322 PolarHBondContact O-N 3.2Å; N1320-L1323 PolarHBondContact O-N 2.92Å; N1320-E1324 PolarHBondContact ND2-OE1 3.29Å; N1320-E1324 WeakPolarHBondContact O-CG 3.42Å; N1320-E1324 PolarHBondContact O-N 3.49Å; N1320-L1369 HydrophobicContact CB-CD2 3.95Å |
| 1321 | F | 85.4 | Confident | 81.5 | Confident | 132 Ų | 132 | 62 Ų | 62 | 58% | 0.579 | 31% | 0.305 | S | S | * | . | H | α-helix | trans | -58 | -43.5 | 177.6 | -178.9 | -88.5 | 0 | 0 | 0 | 112.6 | D1317 E1324 E1325 | D1317-F1321 PolarHBondContact O-N 2.94Å; F1321-E1324 PolarHBondContact O-N 2.98Å; F1321-E1325 WeakPolarHBondContact O-CB 3.37Å; F1321-E1325 PolarHBondContact O-N 3.48Å |
| 1322 | A | 84.4 | Confident | 81.1 | Confident | 21 Ų | 21 | 59 Ų | 59 | 17% | 0.174 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -71 | -30.8 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | L1254 S1318 L1319 N1320 I1326 | L1254-A1322 HydrophobicContact CD2-CB 3.82Å; S1318-A1322 PolarHBondContact O-N 2.87Å; L1319-A1322 PolarHBondContact O-N 3.32Å; N1320-A1322 VanDerWaalsContact C-N 3.34Å; N1320-A1322 PolarHBondContact O-N 3.2Å; A1322-I1326 WeakPolarHBondContact O-CG1 3.43Å; A1322-I1326 PolarHBondContact O-N 2.84Å |
| 1323 | L | 83.8 | Confident | 80 | Confident | 11 Ų | 11 | 60 Ų | 60 | 6% | 0.058 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -70 | -44.1 | 170.8 | -76.6 | 165 | 0 | 0 | 0 | 111.4 | L1254 L1319 N1320 E1325 I1326 Q1327 I1362 L1365 L1369 | L1254-L1323 HydrophobicContact CD1-CD2 4Å; L1254-L1323 HydrophobicContact CD1-CG 4.35Å; L1319-L1323 WeakPolarHBondContact O-CG 3.4Å; L1319-L1323 PolarHBondContact O-N 3.13Å; N1320-L1323 PolarHBondContact O-N 2.92Å; L1323-E1325 VanDerWaalsContact C-N 3.34Å; L1323-E1325 PolarHBondContact O-N 2.64Å; L1323-I1326 PolarHBondContact O-N 3.27Å; L1323-Q1327 WeakPolarHBondContact O-CB 3.43Å; L1323-Q1327 PolarHBondContact O-N 3.12Å; L1323-I1362 HydrophobicContact CD2-CG2 4.3Å; L1323-L1365 HydrophobicContact CD1-CB 4.24Å; L1323-L1365 HydrophobicContact CD2-CB 3.88Å; L1323-L1365 HydrophobicContact CD2-CD1 4.19Å; L1323-L1369 HydrophobicContact CD1-CD2 4Å |
| 1324 | E | 83.5 | Confident | 78.8 | Confident | 112 Ų | 112 | 59.6 Ų | 59.6 | 52% | 0.523 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.6 | -39.6 | 175 | -74.2 | 175.6 | -179.3 | 0 | 0 | 112.1 | N1320 F1321 Q1327 S1328 | N1320-E1324 PolarHBondContact ND2-OE1 3.29Å; N1320-E1324 WeakPolarHBondContact O-CG 3.42Å; N1320-E1324 PolarHBondContact O-N 3.49Å; F1321-E1324 PolarHBondContact O-N 2.98Å; E1324-Q1327 PolarHBondContact O-N 3.12Å; E1324-S1328 WeakPolarHBondContact O-CB 3.4Å; E1324-S1328 PolarHBondContact O-N 3.32Å |
| 1325 | E | 83.5 | Confident | 76.6 | Confident | 109 Ų | 109 | 57.4 Ų | 57.4 | 51% | 0.509 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -60.8 | -52.9 | 176.4 | -173.5 | 167.3 | -148.9 | 0 | 0 | 111.1 | F1321 L1323 Q1327 S1328 E1329 | F1321-E1325 WeakPolarHBondContact O-CB 3.37Å; F1321-E1325 PolarHBondContact O-N 3.48Å; L1323-E1325 VanDerWaalsContact C-N 3.34Å; L1323-E1325 PolarHBondContact O-N 2.64Å; E1325-Q1327 PolarHBondContact O-N 3.41Å; E1325-S1328 WeakPolarHBondContact O-CB 3.26Å; E1325-S1328 PolarHBondContact O-N 3.49Å; E1325-S1328 VanDerWaalsContact O-N 3.12Å; E1325-S1328 PolarHBondContact O-OG 3.39Å; E1325-E1329 WeakPolarHBondContact O-CG 3.43Å; E1325-E1329 PolarHBondContact O-N 3.08Å |
| 1326 | I | 80 | Confident | 74.6 | Confident | 12 Ų | 12 | 61.9 Ų | 61.9 | 6% | 0.062 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -61.6 | -42.8 | 178 | -67.2 | 173.1 | 0 | 0 | 0 | 111.7 | Q1250 L1254 A1322 L1323 S1328 E1329 L1330 I1362 | Q1250-I1326 HydrophobicContact CB-CD1 3.78Å; L1254-I1326 HydrophobicContact CD1-CD1 3.56Å; A1322-I1326 WeakPolarHBondContact O-CG1 3.43Å; A1322-I1326 PolarHBondContact O-N 2.84Å; L1323-I1326 PolarHBondContact O-N 3.27Å; I1326-S1328 VanDerWaalsContact C-N 3.26Å; I1326-S1328 PolarHBondContact O-N 3.34Å; I1326-E1329 PolarHBondContact O-N 2.81Å; I1326-L1330 HydrophobicContact CG2-CD1 3.94Å; I1326-L1330 PolarHBondContact O-N 3.48Å; I1326-I1362 HydrophobicContact CG2-CD1 3.84Å |
| 1327 | Q | 80.2 | Confident | 72.7 | Confident | 76 Ų | 76 | 64.3 Ų | 64.3 | 36% | 0.355 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -65.2 | -32 | 177.3 | -165.2 | 171.4 | 23.6 | 0 | 0 | 111.6 | L1323 E1324 E1325 N1331 | L1323-Q1327 WeakPolarHBondContact O-CB 3.43Å; L1323-Q1327 PolarHBondContact O-N 3.12Å; E1324-Q1327 PolarHBondContact O-N 3.12Å; E1325-Q1327 PolarHBondContact O-N 3.41Å; Q1327-N1331 WeakPolarHBondContact O-CB 3.28Å; Q1327-N1331 PolarHBondContact O-N 2.86Å; Q1327-N1331 VanDerWaalsContact O-N 3.15Å; Q1327-N1331 PolarHBondContact O-ND2 3.14Å |
| 1328 | S | 80.1 | Confident | 70.1 | Confident | 47 Ų | 47 | 63.2 Ų | 63.2 | 33% | 0.329 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -70 | -36.3 | 173.9 | 87.4 | 0 | 0 | 0 | 0 | 113.2 | E1324 E1325 I1326 K1332 | E1324-S1328 WeakPolarHBondContact O-CB 3.4Å; E1324-S1328 PolarHBondContact O-N 3.32Å; E1325-S1328 WeakPolarHBondContact O-CB 3.26Å; E1325-S1328 PolarHBondContact O-N 3.49Å; E1325-S1328 VanDerWaalsContact O-N 3.12Å; E1325-S1328 PolarHBondContact O-OG 3.39Å; I1326-S1328 VanDerWaalsContact C-N 3.26Å; I1326-S1328 PolarHBondContact O-N 3.34Å; S1328-K1332 WeakPolarHBondContact O-CE 3.48Å; S1328-K1332 VanDerWaalsContact O-CG 3.29Å; S1328-K1332 WeakPolarHBondContact O-CG 3.39Å; S1328-K1332 PolarHBondContact O-N 2.96Å |
| 1329 | E | 74.6 | Confident | 67.8 | Low | 75 Ų | 75 | 66.2 Ų | 66.2 | 35% | 0.35 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -68.3 | -49.5 | 176.5 | -66.4 | -71.6 | 88.9 | 0 | 0 | 110.9 | W1247 E1325 I1326 N1331 K1332 E1333 | W1247-E1329 HydrophobicContact CZ2-CB 4.04Å; E1325-E1329 WeakPolarHBondContact O-CG 3.43Å; E1325-E1329 PolarHBondContact O-N 3.08Å; I1326-E1329 PolarHBondContact O-N 2.81Å; E1329-N1331 VanDerWaalsContact C-N 3.26Å; E1329-N1331 PolarHBondContact O-N 3.43Å; E1329-K1332 WeakPolarHBondContact O-CB 3.46Å; E1329-K1332 PolarHBondContact O-N 2.91Å; E1329-K1332 IonicContact OE1-NZ 3.87Å; E1329-K1332 PolarHBondContact OE1-NZ 2.87Å; E1329-E1333 PolarHBondContact O-N 3.29Å |
| 1330 | L | 71.6 | Confident | 65.5 | Low | 5 Ų | 5 | 73.2 Ų | 73.2 | 3% | 0.026 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -54.4 | -40.8 | 175 | -85.5 | 158.7 | 0 | 0 | 0 | 112.7 | W1247 I1326 N1334 L1354 L1358 I1362 | W1247-L1330 HydrophobicContact CD2-CD2 4.47Å; W1247-L1330 HydrophobicContact CD2-CG 4.4Å; W1247-L1330 HydrophobicContact CE3-CD2 3.74Å; W1247-L1330 HydrophobicContact CE3-CG 4.15Å; W1247-L1330 HydrophobicContact CH2-CD2 3.83Å; W1247-L1330 HydrophobicContact CH2-CG 4.08Å; W1247-L1330 HydrophobicContact CZ2-CG 4.34Å; W1247-L1330 HydrophobicContact CZ3-CD2 3.37Å; W1247-L1330 HydrophobicContact CZ3-CG 3.99Å; I1326-L1330 HydrophobicContact CG2-CD1 3.94Å; I1326-L1330 PolarHBondContact O-N 3.48Å; L1330-N1334 WeakPolarHBondContact O-CB 3.37Å; L1330-N1334 PolarHBondContact O-N 3.47Å; L1330-N1334 VanDerWaalsContact O-N 3.12Å; L1330-N1334 PolarHBondContact O-ND2 3.38Å; L1330-N1334 VanDerWaalsContact O-ND2 3.12Å; L1330-L1354 HydrophobicContact CD2-CD1 4.09Å; L1330-L1358 HydrophobicContact CD1-CD2 3.84Å; L1330-I1362 HydrophobicContact CD1-CD1 3.34Å |
| 1331 | N | 71.2 | Confident | 62.8 | Low | 86 Ų | 86 | 75.6 Ų | 75.6 | 46% | 0.46 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -69.7 | -34.5 | 178.2 | -74.4 | -21.3 | 0 | 0 | 0 | 112.7 | Q1327 E1329 C1335 | Q1327-N1331 WeakPolarHBondContact O-CB 3.28Å; Q1327-N1331 PolarHBondContact O-N 2.86Å; Q1327-N1331 VanDerWaalsContact O-N 3.15Å; Q1327-N1331 PolarHBondContact O-ND2 3.14Å; E1329-N1331 VanDerWaalsContact C-N 3.26Å; E1329-N1331 PolarHBondContact O-N 3.43Å; N1331-C1335 WeakPolarHBondContact O-CB 3.38Å; N1331-C1335 PolarHBondContact O-N 2.95Å; N1331-C1335 PolarHBondContact O-SG 3.28Å |
| 1332 | K | 71 | Confident | 60.3 | Low | 110 Ų | 110 | 76 Ų | 76 | 48% | 0.478 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -63.9 | -47.7 | 175.7 | -69.5 | 161.1 | -157 | 163.7 | 0 | 111.6 | S1328 E1329 C1335 Q1336 | S1328-K1332 WeakPolarHBondContact O-CE 3.48Å; S1328-K1332 VanDerWaalsContact O-CG 3.29Å; S1328-K1332 WeakPolarHBondContact O-CG 3.39Å; S1328-K1332 PolarHBondContact O-N 2.96Å; E1329-K1332 WeakPolarHBondContact O-CB 3.46Å; E1329-K1332 PolarHBondContact O-N 2.91Å; E1329-K1332 IonicContact OE1-NZ 3.87Å; E1329-K1332 PolarHBondContact OE1-NZ 2.87Å; K1332-C1335 PolarHBondContact O-N 2.87Å; K1332-Q1336 PolarHBondContact O-N 3.43Å |
| 1333 | E | 59.5 | Low | 57.8 | Low | 21 Ų | 21 | 81.8 Ų | 81.8 | 10% | 0.098 | 43% | 0.432 | C | S | . | . | H | α-helix | trans | -67.9 | -43.1 | -178.3 | -74.7 | -178.2 | -141.4 | 0 | 0 | 112 | Q1243 W1247 E1329 C1335 Q1336 I1337 | Q1243-E1333 PolarHBondContact NE2-OE1 3.09Å; W1247-E1333 HydrophobicContact CH2-CB 4.39Å; W1247-E1333 HydrophobicContact CH2-CG 4.32Å; W1247-E1333 WeakPolarHBondContact CH2-OE1 3.28Å; W1247-E1333 WeakPolarHBondContact CH2-OE2 3.45Å; W1247-E1333 WeakPolarHBondContact CZ2-OE1 3.4Å; E1329-E1333 PolarHBondContact O-N 3.29Å; E1333-C1335 VanDerWaalsContact C-N 3.26Å; E1333-C1335 PolarHBondContact O-N 3Å; E1333-Q1336 PolarHBondContact O-N 3.5Å; E1333-I1337 WeakPolarHBondContact O-CG1 3.44Å; E1333-I1337 PolarHBondContact O-N 3.27Å; E1333-I1337 VanDerWaalsContact O-N 3.1Å |
| 1334 | N | 55.4 | Low | 55.6 | Low | 67 Ų | 67 | 87.1 Ų | 87.1 | 36% | 0.358 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -59.1 | -36.7 | 172.9 | -77.2 | -36.2 | 0 | 0 | 0 | 112.2 | L1330 | L1330-N1334 WeakPolarHBondContact O-CB 3.37Å; L1330-N1334 PolarHBondContact O-N 3.47Å; L1330-N1334 VanDerWaalsContact O-N 3.12Å; L1330-N1334 PolarHBondContact O-ND2 3.38Å; L1330-N1334 VanDerWaalsContact O-ND2 3.12Å |
| 1335 | C | 35.5 | Very low | 53.2 | Low | 79 Ų | 79 | 85.6 Ų | 85.6 | 53% | 0.534 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69 | -43 | 173.4 | -75.9 | 0 | 0 | 0 | 0 | 112.8 | N1331 K1332 E1333 I1337 S1338 | N1331-C1335 WeakPolarHBondContact O-CB 3.38Å; N1331-C1335 PolarHBondContact O-N 2.95Å; N1331-C1335 PolarHBondContact O-SG 3.28Å; K1332-C1335 PolarHBondContact O-N 2.87Å; E1333-C1335 VanDerWaalsContact C-N 3.26Å; E1333-C1335 PolarHBondContact O-N 3Å; C1335-I1337 VanDerWaalsContact C-N 3.3Å; C1335-I1337 PolarHBondContact O-N 3.3Å; C1335-S1338 PolarHBondContact O-N 3.1Å; C1335-S1338 VanDerWaalsContact O-N 3.1Å; C1335-S1338 PolarHBondContact O-OG 2.75Å |
| 1336 | Q | 41 | Very low | 50.9 | Low | 145 Ų | 145 | 82.1 Ų | 82.1 | 68% | 0.678 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -61 | -36.6 | 178.6 | -77.8 | -175.5 | -47.6 | 0 | 0 | 112.9 | K1332 E1333 S1338 | K1332-Q1336 PolarHBondContact O-N 3.43Å; E1333-Q1336 PolarHBondContact O-N 3.5Å; Q1336-S1338 PolarHBondContact O-N 2.96Å |
| 1337 | I | 43 | Very low | 49 | Very low | 55 Ų | 55 | 86.6 Ų | 86.6 | 28% | 0.282 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.5 | -28.8 | 177 | -66.4 | 164.4 | 0 | 0 | 0 | 111.9 | E1333 C1335 | E1333-I1337 WeakPolarHBondContact O-CG1 3.44Å; E1333-I1337 PolarHBondContact O-N 3.27Å; E1333-I1337 VanDerWaalsContact O-N 3.1Å; C1335-I1337 VanDerWaalsContact C-N 3.3Å; C1335-I1337 PolarHBondContact O-N 3.3Å |
| 1338 | S | 30.2 | Very low | 47.1 | Very low | 67 Ų | 67 | 85.4 Ų | 85.4 | 47% | 0.469 | 49% | 0.485 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -85.5 | -10.2 | -173.6 | 71.4 | 0 | 0 | 0 | 0 | 116.1 | C1335 Q1336 N1341 | C1335-S1338 PolarHBondContact O-N 3.1Å; C1335-S1338 VanDerWaalsContact O-N 3.1Å; C1335-S1338 PolarHBondContact O-OG 2.75Å; Q1336-S1338 PolarHBondContact O-N 2.96Å; S1338-N1341 PolarHBondContact O-ND2 2.88Å |
| 1339 | V | 36.6 | Very low | 44.9 | Very low | 110 Ų | 110 | 86.2 Ų | 86.2 | 67% | 0.667 | 49% | 0.49 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -93.1 | -33.3 | -169.6 | 174 | 0 | 0 | 0 | 0 | 113.3 | N1341 | V1339-N1341 VanDerWaalsContact C-N 3.25Å; V1339-N1341 PolarHBondContact O-N 2.89Å |
| 1340 | N | 37.6 | Very low | 43 | Very low | 146 Ų | 146 | 87.5 Ų | 87.5 | 78% | 0.781 | 50% | 0.5 | S | S | * | . | trans | -85.7 | 54.2 | -177.8 | -72.2 | -2.4 | 0 | 0 | 0 | 112.7 | N1342 | N1340-N1342 VanDerWaalsContact C-N 3.34Å; N1340-N1342 PolarHBondContact O-N 3.14Å | ||
| 1341 | N | 30.9 | Very low | 41.6 | Very low | 101 Ų | 101 | 88.3 Ų | 88.3 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | trans | -85.2 | 5.2 | -170.9 | -102.1 | -47 | 0 | 0 | 0 | 115.9 | S1338 V1339 | S1338-N1341 PolarHBondContact O-ND2 2.88Å; V1339-N1341 VanDerWaalsContact C-N 3.25Å; V1339-N1341 PolarHBondContact O-N 2.89Å | ||
| 1342 | N | 32 | Very low | 40.4 | Very low | 142 Ų | 142 | 87.4 Ų | 87.4 | 76% | 0.759 | 50% | 0.499 | S | S | * | . | trans | -104.6 | 146.4 | 176.1 | -67.2 | -8.4 | 0 | 0 | 0 | 110.9 | N1340 | N1340-N1342 VanDerWaalsContact C-N 3.34Å; N1340-N1342 PolarHBondContact O-N 3.14Å | ||
| 1343 | N | 33.5 | Very low | 39.2 | Very low | 142 Ų | 142 | 87.4 Ų | 87.4 | 76% | 0.759 | 51% | 0.513 | S | S | * | . | S | Bend | trans | 82.3 | 157.1 | 179.2 | -54.3 | -13.4 | 0 | 0 | 0 | 116.6 | S1345 | N1343-S1345 VanDerWaalsContact C-N 3.29Å; N1343-S1345 PolarHBondContact O-N 3.41Å; N1343-S1345 VanDerWaalsContact O-N 3.11Å |
| 1344 | S | 36.2 | Very low | 38.8 | Very low | 122 Ų | 122 | 88.3 Ų | 88.3 | 85% | 0.853 | 52% | 0.518 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | 2 | -153.8 | 49.7 | 0 | 0 | 0 | 0 | 116.9 | A1346 | S1344-A1346 VanDerWaalsContact C-N 3.27Å; S1344-A1346 PolarHBondContact O-N 2.89Å |
| 1345 | S | 34.2 | Very low | 39 | Very low | 80 Ų | 80 | 88.6 Ų | 88.6 | 56% | 0.559 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -8.4 | 177.1 | 50.4 | 0 | 0 | 0 | 0 | 114.3 | N1343 T1347 I1348 | N1343-S1345 VanDerWaalsContact C-N 3.29Å; N1343-S1345 PolarHBondContact O-N 3.41Å; N1343-S1345 VanDerWaalsContact O-N 3.11Å; S1345-T1347 PolarHBondContact O-N 2.98Å; S1345-I1348 PolarHBondContact O-N 3.29Å |
| 1346 | A | 34.3 | Very low | 40.3 | Very low | 36 Ų | 36 | 87.2 Ų | 87.2 | 30% | 0.298 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -53.4 | -28.2 | -172.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S1344 I1348 C1349 N1350 | S1344-A1346 VanDerWaalsContact C-N 3.27Å; S1344-A1346 PolarHBondContact O-N 2.89Å; A1346-I1348 PolarHBondContact O-N 3.21Å; A1346-I1348 VanDerWaalsContact O-N 3.15Å; A1346-C1349 PolarHBondContact O-N 2.97Å; A1346-N1350 PolarHBondContact O-N 3.44Å |
| 1347 | T | 39.6 | Very low | 41.6 | Very low | 106 Ų | 106 | 86.4 Ų | 86.4 | 65% | 0.65 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.7 | -21.3 | -177.7 | -45.8 | 0 | 0 | 0 | 0 | 113.8 | S1345 T1351 | S1345-T1347 PolarHBondContact O-N 2.98Å; T1347-T1351 WeakPolarHBondContact O-CG2 3.34Å |
| 1348 | I | 40.3 | Very low | 42.8 | Very low | 52 Ų | 52 | 84.3 Ų | 84.3 | 27% | 0.267 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -96.9 | -43 | 178.7 | -66.5 | 176.1 | 0 | 0 | 0 | 111.3 | I1117 T1233 I1237 S1345 A1346 T1351 | I1117-I1348 HydrophobicContact CD1-CG2 3.93Å; T1233-I1348 HydrophobicContact CG2-CG2 4.19Å; I1237-I1348 HydrophobicContact CD1-CG2 4.34Å; S1345-I1348 PolarHBondContact O-N 3.29Å; A1346-I1348 PolarHBondContact O-N 3.21Å; A1346-I1348 VanDerWaalsContact O-N 3.15Å; I1348-T1351 WeakPolarHBondContact O-CB 3.33Å; I1348-T1351 WeakPolarHBondContact O-CG2 3.41Å; I1348-T1351 PolarHBondContact O-N 2.99Å; I1348-T1351 PolarHBondContact O-OG1 2.96Å |
| 1349 | C | 34.2 | Very low | 44.8 | Very low | 63 Ų | 63 | 84.7 Ų | 84.7 | 43% | 0.426 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -69.3 | -37.2 | -175 | -63.5 | 0 | 0 | 0 | 0 | 113.1 | A1346 T1351 | A1346-C1349 PolarHBondContact O-N 2.97Å; C1349-T1351 PolarHBondContact O-N 3.3Å |
| 1350 | N | 35.5 | Very low | 46.8 | Very low | 103 Ų | 103 | 85.9 Ų | 85.9 | 55% | 0.551 | 50% | 0.497 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.6 | 21.8 | 178.7 | -72.3 | -22.3 | 0 | 0 | 0 | 114.3 | A1346 | A1346-N1350 PolarHBondContact O-N 3.44Š|
| 1351 | T | 41.6 | Very low | 48.6 | Very low | 22 Ų | 22 | 81.1 Ų | 81.1 | 14% | 0.135 | 47% | 0.47 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -116.4 | -10.7 | -169.8 | 74 | 0 | 0 | 0 | 0 | 115.6 | K1121 T1347 I1348 C1349 | K1121-T1351 WeakPolarHBondContact CE-O 3.44Å; T1347-T1351 WeakPolarHBondContact O-CG2 3.34Å; I1348-T1351 WeakPolarHBondContact O-CB 3.33Å; I1348-T1351 WeakPolarHBondContact O-CG2 3.41Å; I1348-T1351 PolarHBondContact O-N 2.99Å; I1348-T1351 PolarHBondContact O-OG1 2.96Å; C1349-T1351 PolarHBondContact O-N 3.3Å |
| 1352 | I | 46 | Very low | 50.9 | Low | 67 Ų | 67 | 76.4 Ų | 76.4 | 34% | 0.344 | 45% | 0.445 | S | S | . | . | trans | -110 | 67.1 | 175.7 | -50.6 | 175.5 | 0 | 0 | 0 | 108.1 | I1237 L1354 | I1237-I1352 HydrophobicContact CG1-CD1 4.3Å; I1237-I1352 HydrophobicContact CG2-CD1 4.33Å; I1352-L1354 PolarHBondContact O-N 2.94Å | ||
| 1353 | S | 45.5 | Very low | 53.3 | Low | 109 Ų | 109 | 73.4 Ų | 73.4 | 76% | 0.762 | 43% | 0.429 | S | S | * | . | trans | -65.3 | 114 | 162.7 | 56.8 | 0 | 0 | 0 | 0 | 107.5 | D1355 | S1353-D1355 PolarHBondContact O-N 3.05Š| ||
| 1354 | L | 52.4 | Low | 55.7 | Low | 40 Ų | 40 | 72.3 Ų | 72.3 | 21% | 0.209 | 41% | 0.414 | C | S | . | . | trans | -52.3 | 129.7 | 178.6 | -89.1 | 157.5 | 0 | 0 | 0 | 110.2 | Y1244 W1247 L1330 I1352 G1356 | Y1244-L1354 HydrophobicContact CD2-CD2 3.64Å; Y1244-L1354 HydrophobicContact CE2-CD2 4.14Å; W1247-L1354 HydrophobicContact CE3-CD2 4.4Å; W1247-L1354 HydrophobicContact CH2-CD1 4.26Å; W1247-L1354 HydrophobicContact CZ3-CD1 3.87Å; W1247-L1354 HydrophobicContact CZ3-CD2 3.77Å; W1247-L1354 HydrophobicContact CZ3-CG 4.49Å; L1330-L1354 HydrophobicContact CD2-CD1 4.09Å; I1352-L1354 PolarHBondContact O-N 2.94Å; L1354-G1356 PolarHBondContact O-N 3.42Å; L1354-G1356 VanDerWaalsContact O-N 3.13Å | ||
| 1355 | D | 59.4 | Low | 57.9 | Low | 73 Ų | 73 | 66.5 Ų | 66.5 | 39% | 0.39 | 37% | 0.373 | S | S | . | . | trans | -56.5 | 118.7 | -163.4 | -171.9 | -7 | 0 | 0 | 0 | 110.6 | Y1244 S1353 K1357 L1358 | Y1244-D1355 HydrophobicContact CE2-CB 4.31Å; Y1244-D1355 WeakPolarHBondContact OH-CB 3.4Å; S1353-D1355 PolarHBondContact O-N 3.05Å; D1355-K1357 PolarHBondContact O-N 3.35Å; D1355-K1357 VanDerWaalsContact OD1-CB 3.25Å; D1355-K1357 WeakPolarHBondContact OD1-CB 3.43Å; D1355-K1357 PolarHBondContact OD1-N 3.11Å; D1355-K1357 VanDerWaalsContact OD1-N 3.09Å; D1355-L1358 WeakPolarHBondContact O-CB 3.26Å; D1355-L1358 PolarHBondContact O-N 3.21Å | ||
| 1356 | G | 61.3 | Low | 60.4 | Low | 51 Ų | 51 | 65.6 Ų | 65.6 | 53% | 0.526 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -57.7 | -19.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | L1354 L1359 H1360 | L1354-G1356 PolarHBondContact O-N 3.42Å; L1354-G1356 VanDerWaalsContact O-N 3.13Å; G1356-L1359 PolarHBondContact O-N 2.75Å; G1356-H1360 WeakPolarHBondContact O-CB 3.46Å; G1356-H1360 PolarHBondContact O-N 3.14Å |
| 1357 | K | 68.6 | Low | 62.8 | Low | 128 Ų | 128 | 66.8 Ų | 66.8 | 56% | 0.557 | 37% | 0.374 | S | S | * | . | H | α-helix | trans | -60.4 | -38.8 | 168.6 | -169.9 | -172.8 | 174.7 | -160.8 | 0 | 113.4 | D1355 H1360 E1361 | D1355-K1357 PolarHBondContact O-N 3.35Å; D1355-K1357 VanDerWaalsContact OD1-CB 3.25Å; D1355-K1357 WeakPolarHBondContact OD1-CB 3.43Å; D1355-K1357 PolarHBondContact OD1-N 3.11Å; D1355-K1357 VanDerWaalsContact OD1-N 3.09Å; K1357-H1360 PolarHBondContact O-N 3.41Å; K1357-E1361 VanDerWaalsContact CE-OE1 3.28Å; K1357-E1361 WeakPolarHBondContact CE-OE1 3.47Å; K1357-E1361 IonicContact NZ-OE1 2.69Å; K1357-E1361 PolarHBondContact O-N 3.22Å |
| 1358 | L | 68.8 | Low | 64.9 | Low | 11 Ų | 11 | 64.7 Ų | 64.7 | 6% | 0.058 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -70.7 | -39.5 | -179.5 | -161.6 | 155.2 | 0 | 0 | 0 | 110.4 | Y1244 W1247 L1251 L1330 D1355 E1361 I1362 | Y1244-L1358 HydrophobicContact CD2-CD1 3.89Å; Y1244-L1358 HydrophobicContact CE2-CB 4.47Å; Y1244-L1358 HydrophobicContact CE2-CD1 3.4Å; W1247-L1358 HydrophobicContact CB-CD1 4.5Å; L1251-L1358 HydrophobicContact CD2-CG 4.3Å; L1330-L1358 HydrophobicContact CD1-CD2 3.84Å; D1355-L1358 WeakPolarHBondContact O-CB 3.26Å; D1355-L1358 PolarHBondContact O-N 3.21Å; L1358-E1361 PolarHBondContact O-N 2.94Å; L1358-I1362 HydrophobicContact CD2-CD1 3.76Å; L1358-I1362 HydrophobicContact CD2-CG1 4.42Å; L1358-I1362 WeakPolarHBondContact O-CG1 3.44Å; L1358-I1362 PolarHBondContact O-N 3.46Å; L1358-I1362 VanDerWaalsContact O-N 3.07Å |
| 1359 | L | 72.8 | Confident | 67.1 | Low | 75 Ų | 75 | 62.5 Ų | 62.5 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -59.9 | -48.5 | 170.2 | -148.5 | 76 | 0 | 0 | 0 | 110.9 | G1356 E1361 I1362 D1363 | G1356-L1359 PolarHBondContact O-N 2.75Å; L1359-E1361 VanDerWaalsContact C-N 3.31Å; L1359-E1361 PolarHBondContact O-N 2.67Å; L1359-I1362 WeakPolarHBondContact O-CA 3.43Å; L1359-I1362 WeakPolarHBondContact O-CB 3.47Å; L1359-I1362 PolarHBondContact O-N 2.93Å; L1359-D1363 PolarHBondContact O-N 3.29Å |
| 1360 | H | 77.3 | Confident | 69.4 | Low | 134 Ų | 134 | 62.2 Ų | 62.2 | 62% | 0.62 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -61.9 | -33.8 | 177.6 | -170.2 | -15 | 0 | 0 | 0 | 113.1 | G1356 K1357 R1364 | G1356-H1360 WeakPolarHBondContact O-CB 3.46Å; G1356-H1360 PolarHBondContact O-N 3.14Å; K1357-H1360 PolarHBondContact O-N 3.41Å; H1360-R1364 WeakPolarHBondContact O-CB 3.14Å; H1360-R1364 PolarHBondContact O-N 3.49Å |
| 1361 | E | 77 | Confident | 71.7 | Confident | 46 Ų | 46 | 61.8 Ų | 61.8 | 22% | 0.215 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -72.8 | -30.6 | 173.6 | -77.3 | -169.1 | -135.5 | 0 | 0 | 112.8 | L1251 Q1255 K1357 L1358 L1359 L1365 | L1251-E1361 HydrophobicContact CD2-CB 3.87Å; Q1255-E1361 PolarHBondContact NE2-OE2 3.09Å; K1357-E1361 VanDerWaalsContact CE-OE1 3.28Å; K1357-E1361 WeakPolarHBondContact CE-OE1 3.47Å; K1357-E1361 IonicContact NZ-OE1 2.69Å; K1357-E1361 PolarHBondContact O-N 3.22Å; L1358-E1361 PolarHBondContact O-N 2.94Å; L1359-E1361 VanDerWaalsContact C-N 3.31Å; L1359-E1361 PolarHBondContact O-N 2.67Å; E1361-L1365 WeakPolarHBondContact O-CG 3.16Å; E1361-L1365 PolarHBondContact O-N 3.03Å |
| 1362 | I | 79.4 | Confident | 73.6 | Confident | 2 Ų | 2 | 61 Ų | 61 | 1% | 0.01 | 34% | 0.339 | C | S | . | . | H | α-helix | trans | -66.7 | -46.4 | 169.2 | -69.7 | 168.6 | 0 | 0 | 0 | 110.4 | L1251 L1323 I1326 L1330 L1358 L1359 R1364 L1365 S1366 | L1251-I1362 HydrophobicContact CD1-CG1 3.83Å; L1323-I1362 HydrophobicContact CD2-CG2 4.3Å; I1326-I1362 HydrophobicContact CG2-CD1 3.84Å; L1330-I1362 HydrophobicContact CD1-CD1 3.34Å; L1358-I1362 HydrophobicContact CD2-CD1 3.76Å; L1358-I1362 HydrophobicContact CD2-CG1 4.42Å; L1358-I1362 WeakPolarHBondContact O-CG1 3.44Å; L1358-I1362 PolarHBondContact O-N 3.46Å; L1358-I1362 VanDerWaalsContact O-N 3.07Å; L1359-I1362 WeakPolarHBondContact O-CA 3.43Å; L1359-I1362 WeakPolarHBondContact O-CB 3.47Å; L1359-I1362 PolarHBondContact O-N 2.93Å; I1362-R1364 VanDerWaalsContact C-N 3.28Å; I1362-R1364 PolarHBondContact O-N 3.4Å; I1362-L1365 PolarHBondContact O-N 3.42Å; I1362-L1365 VanDerWaalsContact O-N 3.12Å; I1362-S1366 WeakPolarHBondContact O-CB 3.23Å; I1362-S1366 PolarHBondContact O-N 3.16Å |
| 1363 | D | 80.5 | Confident | 75.4 | Confident | 80 Ų | 80 | 63.4 Ų | 63.4 | 43% | 0.428 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -61.9 | -36.4 | 176.4 | -66.6 | -35.7 | 0 | 0 | 0 | 111.9 | L1359 S1367 | L1359-D1363 PolarHBondContact O-N 3.29Å; D1363-S1367 WeakPolarHBondContact O-CB 3.38Å; D1363-S1367 PolarHBondContact O-N 3Å; D1363-S1367 PolarHBondContact O-OG 2.84Å |
| 1364 | R | 84.5 | Confident | 77.3 | Confident | 118 Ų | 118 | 61.2 Ų | 61.2 | 45% | 0.445 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -65 | -40.9 | 173.2 | -169.6 | -176.4 | 70.4 | 135.7 | -2 | 112.2 | H1360 I1362 S1367 Q1368 | H1360-R1364 WeakPolarHBondContact O-CB 3.14Å; H1360-R1364 PolarHBondContact O-N 3.49Å; I1362-R1364 VanDerWaalsContact C-N 3.28Å; I1362-R1364 PolarHBondContact O-N 3.4Å; R1364-S1367 WeakPolarHBondContact CA-OG 3.14Å; R1364-S1367 PolarHBondContact O-OG 3.31Å; R1364-S1367 VanDerWaalsContact O-OG 3.07Å; R1364-Q1368 WeakPolarHBondContact O-CB 3.13Å; R1364-Q1368 PolarHBondContact O-N 3.24Å |
| 1365 | L | 83.5 | Confident | 78.8 | Confident | 0 Ų | 0 | 62.7 Ų | 62.7 | 0% | 0 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -69 | -42.6 | 176.1 | -76.9 | 166.2 | 0 | 0 | 0 | 111.8 | L1251 L1254 Q1255 M1258 L1323 E1361 I1362 Q1368 L1369 | L1251-L1365 HydrophobicContact CD1-CD1 3.54Å; L1251-L1365 HydrophobicContact CG-CD1 4.23Å; L1254-L1365 HydrophobicContact CB-CD1 4.12Å; Q1255-L1365 HydrophobicContact CG-CD1 4.21Å; Q1255-L1365 HydrophobicContact CG-CD2 3.84Å; Q1255-L1365 HydrophobicContact CG-CG 4.38Å; M1258-L1365 HydrophobicContact CB-CD2 4.13Å; M1258-L1365 HydrophobicContact CG-CD2 3.78Å; L1323-L1365 HydrophobicContact CD1-CB 4.24Å; L1323-L1365 HydrophobicContact CD2-CB 3.88Å; L1323-L1365 HydrophobicContact CD2-CD1 4.19Å; E1361-L1365 WeakPolarHBondContact O-CG 3.16Å; E1361-L1365 PolarHBondContact O-N 3.03Å; I1362-L1365 PolarHBondContact O-N 3.42Å; I1362-L1365 VanDerWaalsContact O-N 3.12Å; L1365-Q1368 PolarHBondContact O-N 2.87Å; L1365-L1369 WeakPolarHBondContact O-CB 3.31Å; L1365-L1369 PolarHBondContact O-N 2.91Å |
| 1366 | S | 85.5 | Confident | 79.9 | Confident | 62 Ų | 62 | 59.2 Ų | 59.2 | 43% | 0.434 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 176.5 | -177.9 | 0 | 0 | 0 | 0 | 111.9 | I1362 L1369 A1370 | I1362-S1366 WeakPolarHBondContact O-CB 3.23Å; I1362-S1366 PolarHBondContact O-N 3.16Å; S1366-L1369 WeakPolarHBondContact O-CB 3.45Å; S1366-L1369 PolarHBondContact O-N 3.18Å; S1366-A1370 PolarHBondContact O-N 3.08Å |
| 1367 | S | 85.7 | Confident | 80.9 | Confident | 61 Ų | 61 | 60.8 Ų | 60.8 | 43% | 0.427 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -65.2 | -39.6 | 175.3 | 50.9 | 0 | 0 | 0 | 0 | 112.9 | D1363 R1364 L1369 A1370 I1371 | D1363-S1367 WeakPolarHBondContact O-CB 3.38Å; D1363-S1367 PolarHBondContact O-N 3Å; D1363-S1367 PolarHBondContact O-OG 2.84Å; R1364-S1367 WeakPolarHBondContact CA-OG 3.14Å; R1364-S1367 PolarHBondContact O-OG 3.31Å; R1364-S1367 VanDerWaalsContact O-OG 3.07Å; S1367-L1369 VanDerWaalsContact C-N 3.33Å; S1367-L1369 PolarHBondContact O-N 3.22Å; S1367-A1370 PolarHBondContact O-N 3.32Å; S1367-I1371 WeakPolarHBondContact O-CG1 3.45Å; S1367-I1371 PolarHBondContact O-N 3.03Å |
| 1368 | Q | 83.4 | Confident | 81.6 | Confident | 61 Ų | 61 | 63.4 Ų | 63.4 | 29% | 0.285 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.6 | -34.8 | 173.6 | -168.7 | -172.8 | -19 | 0 | 0 | 112.2 | M1258 R1364 L1365 I1371 N1372 | M1258-Q1368 VanDerWaalsContact CE-C 3.42Å; M1258-Q1368 HydrophobicContact CE-CB 3.7Å; M1258-Q1368 HydrophobicContact CE-CG 3.45Å; M1258-Q1368 VanDerWaalsContact CE-CG 3.45Å; R1364-Q1368 WeakPolarHBondContact O-CB 3.13Å; R1364-Q1368 PolarHBondContact O-N 3.24Å; L1365-Q1368 PolarHBondContact O-N 2.87Å; Q1368-I1371 PolarHBondContact O-N 3.08Å; Q1368-N1372 PolarHBondContact O-N 3.38Å |
| 1369 | L | 85.9 | Confident | 82.1 | Confident | 6 Ų | 6 | 63.8 Ų | 63.8 | 3% | 0.031 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.2 | -42 | 174.3 | -176.3 | 63.4 | 0 | 0 | 0 | 111.4 | M1258 L1261 V1316 L1319 N1320 L1323 L1365 S1366 S1367 I1371 N1372 R1373 | M1258-L1369 HydrophobicContact CE-CB 4.14Å; M1258-L1369 HydrophobicContact SD-CB 4.01Å; M1258-L1369 HydrophobicContact SD-CD1 3.78Å; M1258-L1369 HydrophobicContact SD-CG 4.47Å; L1261-L1369 HydrophobicContact CD2-CD1 3.89Å; V1316-L1369 HydrophobicContact CB-CD1 4.31Å; V1316-L1369 HydrophobicContact CG1-CD1 4.12Å; V1316-L1369 HydrophobicContact CG2-CD1 4.12Å; L1319-L1369 HydrophobicContact CB-CD1 4.09Å; L1319-L1369 HydrophobicContact CB-CD2 4.26Å; N1320-L1369 HydrophobicContact CB-CD2 3.95Å; L1323-L1369 HydrophobicContact CD1-CD2 4Å; L1365-L1369 WeakPolarHBondContact O-CB 3.31Å; L1365-L1369 PolarHBondContact O-N 2.91Å; S1366-L1369 WeakPolarHBondContact O-CB 3.45Å; S1366-L1369 PolarHBondContact O-N 3.18Å; S1367-L1369 VanDerWaalsContact C-N 3.33Å; S1367-L1369 PolarHBondContact O-N 3.22Å; L1369-I1371 VanDerWaalsContact C-N 3.34Å; L1369-I1371 PolarHBondContact O-N 3.38Å; L1369-N1372 PolarHBondContact O-N 3.02Å; L1369-R1373 WeakPolarHBondContact O-CB 3.47Å; L1369-R1373 PolarHBondContact O-N 3.32Å |
| 1370 | A | 83.2 | Confident | 82.4 | Confident | 57 Ų | 57 | 61.8 Ų | 61.8 | 47% | 0.471 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.4 | -40.2 | 172.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | S1366 S1367 R1373 S1374 | S1366-A1370 PolarHBondContact O-N 3.08Å; S1367-A1370 PolarHBondContact O-N 3.32Å; A1370-R1373 PolarHBondContact O-N 3.18Å; A1370-S1374 WeakPolarHBondContact O-CB 3.37Å; A1370-S1374 PolarHBondContact O-N 2.83Å |
| 1371 | I | 84.1 | Confident | 82.5 | Confident | 94 Ų | 94 | 63.2 Ų | 63.2 | 48% | 0.482 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -61.1 | -53.3 | 173.3 | -70.4 | 164.6 | 0 | 0 | 0 | 110.5 | S1367 Q1368 L1369 R1373 S1374 I1375 | S1367-I1371 WeakPolarHBondContact O-CG1 3.45Å; S1367-I1371 PolarHBondContact O-N 3.03Å; Q1368-I1371 PolarHBondContact O-N 3.08Å; L1369-I1371 VanDerWaalsContact C-N 3.34Å; L1369-I1371 PolarHBondContact O-N 3.38Å; I1371-R1373 VanDerWaalsContact C-N 3.28Å; I1371-R1373 PolarHBondContact O-N 3.48Å; I1371-S1374 PolarHBondContact O-N 3.4Å; I1371-S1374 VanDerWaalsContact O-N 3.08Å; I1371-S1374 PolarHBondContact O-OG 3Å; I1371-I1375 HydrophobicContact CG2-CD1 3.79Å; I1371-I1375 HydrophobicContact CG2-CG1 4.46Å; I1371-I1375 WeakPolarHBondContact O-CG1 3.41Å; I1371-I1375 PolarHBondContact O-N 3.01Å |
| 1372 | N | 81.3 | Confident | 82.5 | Confident | 7 Ų | 7 | 64.9 Ų | 64.9 | 4% | 0.037 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -55.1 | -43.3 | 176.9 | -80.9 | -17.3 | 0 | 0 | 0 | 111.7 | M1258 L1261 S1262 Q1368 L1369 S1374 I1375 L1376 | M1258-N1372 VanDerWaalsContact CE-ND2 3.28Å; M1258-N1372 WeakPolarHBondContact CE-ND2 3.48Å; L1261-N1372 HydrophobicContact CD2-CB 4.06Å; L1261-N1372 WeakPolarHBondContact CD2-ND2 3.44Å; L1261-N1372 HydrophobicContact CG-CB 4.34Å; S1262-N1372 VanDerWaalsContact OG-CG 3.29Å; S1262-N1372 PolarHBondContact OG-ND2 2.94Å; S1262-N1372 PolarHBondContact OG-OD1 2.97Å; Q1368-N1372 PolarHBondContact O-N 3.38Å; L1369-N1372 PolarHBondContact O-N 3.02Å; N1372-S1374 PolarHBondContact O-N 3.24Å; N1372-I1375 PolarHBondContact O-N 2.93Å; N1372-L1376 WeakPolarHBondContact O-CB 3.35Å; N1372-L1376 PolarHBondContact O-N 2.77Å |
| 1373 | R | 83.8 | Confident | 82.2 | Confident | 116 Ų | 116 | 66.4 Ų | 66.4 | 44% | 0.438 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -61.8 | -41.2 | 176.4 | -171.5 | 176.5 | -174.6 | 166.5 | 4.2 | 112.5 | L1369 A1370 I1371 L1376 Q1377 | L1369-R1373 WeakPolarHBondContact O-CB 3.47Å; L1369-R1373 PolarHBondContact O-N 3.32Å; A1370-R1373 PolarHBondContact O-N 3.18Å; I1371-R1373 VanDerWaalsContact C-N 3.28Å; I1371-R1373 PolarHBondContact O-N 3.48Å; R1373-L1376 PolarHBondContact O-N 3.42Å; R1373-Q1377 WeakPolarHBondContact O-CG 3.48Å; R1373-Q1377 PolarHBondContact O-N 3.44Å |
| 1374 | S | 85.2 | Confident | 81.9 | Confident | 63 Ų | 63 | 68 Ų | 68 | 44% | 0.441 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 177.6 | 76.7 | 0 | 0 | 0 | 0 | 112.9 | A1370 I1371 N1372 Q1377 R1378 | A1370-S1374 WeakPolarHBondContact O-CB 3.37Å; A1370-S1374 PolarHBondContact O-N 2.83Å; I1371-S1374 PolarHBondContact O-N 3.4Å; I1371-S1374 VanDerWaalsContact O-N 3.08Å; I1371-S1374 PolarHBondContact O-OG 3Å; N1372-S1374 PolarHBondContact O-N 3.24Å; S1374-Q1377 PolarHBondContact O-N 2.94Å; S1374-R1378 PolarHBondContact O-N 3.19Å |
| 1375 | I | 82.9 | Confident | 81.2 | Confident | 71 Ų | 71 | 65.1 Ų | 65.1 | 36% | 0.364 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -64.9 | -45.2 | 174 | -65 | 166.8 | 0 | 0 | 0 | 109.6 | T1265 I1371 N1372 Q1377 R1378 L1379 | T1265-I1375 HydrophobicContact CG2-CB 4.26Å; T1265-I1375 HydrophobicContact CG2-CG2 3.6Å; I1371-I1375 HydrophobicContact CG2-CD1 3.79Å; I1371-I1375 HydrophobicContact CG2-CG1 4.46Å; I1371-I1375 WeakPolarHBondContact O-CG1 3.41Å; I1371-I1375 PolarHBondContact O-N 3.01Å; N1372-I1375 PolarHBondContact O-N 2.93Å; I1375-Q1377 PolarHBondContact O-N 3.11Å; I1375-R1378 PolarHBondContact O-N 3.24Å; I1375-R1378 VanDerWaalsContact O-N 3.11Å; I1375-L1379 HydrophobicContact CG2-CD1 4.06Å; I1375-L1379 HydrophobicContact CG2-CG 4.41Å; I1375-L1379 WeakPolarHBondContact O-CG 3.48Å; I1375-L1379 PolarHBondContact O-N 3.15Å |
| 1376 | L | 82.9 | Confident | 80.1 | Confident | 1 Ų | 1 | 68.1 Ų | 68.1 | 1% | 0.005 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.4 | -44.6 | 177.9 | -157.1 | 72.8 | 0 | 0 | 0 | 111.4 | T1265 F1309 C1312 F1313 N1372 R1373 R1378 L1379 I1380 | T1265-L1376 HydrophobicContact CG2-CD1 4.45Å; F1309-L1376 HydrophobicContact CD1-CD1 3.69Å; F1309-L1376 HydrophobicContact CD1-CG 4.06Å; F1309-L1376 HydrophobicContact CE1-CD1 3.99Å; F1309-L1376 HydrophobicContact CE1-CG 4.4Å; C1312-L1376 HydrophobicContact CB-CD1 3.58Å; C1312-L1376 HydrophobicContact CB-CD2 3.68Å; C1312-L1376 HydrophobicContact CB-CG 4.31Å; F1313-L1376 HydrophobicContact CD1-CD2 3.92Å; F1313-L1376 HydrophobicContact CD2-CD2 4.03Å; F1313-L1376 HydrophobicContact CE1-CD2 3.85Å; F1313-L1376 HydrophobicContact CE2-CD2 3.99Å; F1313-L1376 HydrophobicContact CG-CD2 4Å; F1313-L1376 HydrophobicContact CZ-CD2 3.9Å; N1372-L1376 WeakPolarHBondContact O-CB 3.35Å; N1372-L1376 PolarHBondContact O-N 2.77Å; R1373-L1376 PolarHBondContact O-N 3.42Å; L1376-R1378 VanDerWaalsContact C-N 3.33Å; L1376-R1378 PolarHBondContact O-N 3.23Å; L1376-L1379 PolarHBondContact O-N 3.02Å; L1376-I1380 HydrophobicContact CG-CD1 4.37Å; L1376-I1380 WeakPolarHBondContact O-CD1 3.21Å; L1376-I1380 VanDerWaalsContact O-CG1 3.25Å; L1376-I1380 WeakPolarHBondContact O-CG1 3.41Å; L1376-I1380 PolarHBondContact O-N 3.26Å |
| 1377 | Q | 82.4 | Confident | 78.5 | Confident | 83 Ų | 83 | 69.5 Ų | 69.5 | 39% | 0.388 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.9 | -37.4 | 173.2 | -74.7 | 178.1 | -7.6 | 0 | 0 | 113.2 | R1373 S1374 I1375 I1380 R1381 | R1373-Q1377 WeakPolarHBondContact O-CG 3.48Å; R1373-Q1377 PolarHBondContact O-N 3.44Å; S1374-Q1377 PolarHBondContact O-N 2.94Å; I1375-Q1377 PolarHBondContact O-N 3.11Å; Q1377-I1380 PolarHBondContact O-N 2.91Å; Q1377-R1381 WeakPolarHBondContact O-CG 3.48Å; Q1377-R1381 PolarHBondContact O-N 2.97Å; Q1377-R1381 VanDerWaalsContact O-N 3.1Å |
| 1378 | R | 82.7 | Confident | 76.8 | Confident | 184 Ų | 184 | 69.8 Ų | 69.8 | 69% | 0.694 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -70.4 | -39.4 | 177.3 | -168.8 | 173 | -176.1 | 165.8 | 0.2 | 112.1 | S1374 I1375 L1376 R1381 L1382 | S1374-R1378 PolarHBondContact O-N 3.19Å; I1375-R1378 PolarHBondContact O-N 3.24Å; I1375-R1378 VanDerWaalsContact O-N 3.11Å; L1376-R1378 VanDerWaalsContact C-N 3.33Å; L1376-R1378 PolarHBondContact O-N 3.23Å; R1378-R1381 PolarHBondContact O-N 3.19Å; R1378-L1382 WeakPolarHBondContact O-CG 3.41Å; R1378-L1382 PolarHBondContact O-N 3.47Å; R1378-L1382 VanDerWaalsContact O-N 3.12Å |
| 1379 | L | 80 | Confident | 74.7 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 9% | 0.094 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.3 | -39.4 | 173.2 | -71.7 | 171.7 | 0 | 0 | 0 | 111.7 | T1265 I1268 M1272 F1309 I1375 L1376 L1382 F1383 | T1265-L1379 HydrophobicContact CG2-CD1 4.09Å; I1268-L1379 HydrophobicContact CG2-CD1 4.45Å; M1272-L1379 HydrophobicContact SD-CB 4.43Å; M1272-L1379 HydrophobicContact SD-CD2 4.11Å; F1309-L1379 HydrophobicContact CE1-CB 3.74Å; F1309-L1379 HydrophobicContact CZ-CB 3.83Å; I1375-L1379 HydrophobicContact CG2-CD1 4.06Å; I1375-L1379 HydrophobicContact CG2-CG 4.41Å; I1375-L1379 WeakPolarHBondContact O-CG 3.48Å; I1375-L1379 PolarHBondContact O-N 3.15Å; L1376-L1379 PolarHBondContact O-N 3.02Å; L1379-L1382 WeakPolarHBondContact O-CB 3.37Å; L1379-L1382 PolarHBondContact O-N 3.26Å; L1379-F1383 WeakPolarHBondContact O-CB 3.44Å; L1379-F1383 PolarHBondContact O-N 3.24Å |
| 1380 | I | 80.2 | Confident | 72.3 | Confident | 33 Ų | 33 | 79.7 Ų | 79.7 | 17% | 0.169 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 175.4 | -69.5 | 160.5 | 0 | 0 | 0 | 111 | F1309 F1313 L1376 Q1377 L1382 F1383 E1384 | F1309-I1380 HydrophobicContact CD1-CD1 4.13Å; F1309-I1380 HydrophobicContact CD1-CG1 3.69Å; F1309-I1380 HydrophobicContact CE1-CD1 4.38Å; F1309-I1380 HydrophobicContact CE1-CG1 3.57Å; F1309-I1380 HydrophobicContact CE2-CG1 4.46Å; F1309-I1380 HydrophobicContact CG-CG1 4.23Å; F1309-I1380 HydrophobicContact CZ-CG1 3.98Å; F1313-I1380 HydrophobicContact CE2-CD1 3.41Å; F1313-I1380 VanDerWaalsContact CE2-CD1 3.41Å; F1313-I1380 HydrophobicContact CZ-CD1 3.36Å; L1376-I1380 HydrophobicContact CG-CD1 4.37Å; L1376-I1380 WeakPolarHBondContact O-CD1 3.21Å; L1376-I1380 VanDerWaalsContact O-CG1 3.25Å; L1376-I1380 WeakPolarHBondContact O-CG1 3.41Å; L1376-I1380 PolarHBondContact O-N 3.26Å; Q1377-I1380 PolarHBondContact O-N 2.91Å; I1380-L1382 PolarHBondContact O-N 3.43Å; I1380-F1383 WeakPolarHBondContact O-CB 3.41Å; I1380-F1383 PolarHBondContact O-N 2.69Å; I1380-F1383 VanDerWaalsContact O-N 3.08Å; I1380-E1384 HydrophobicContact CG2-CG 4.18Å; I1380-E1384 WeakPolarHBondContact O-CB 3.35Å; I1380-E1384 WeakPolarHBondContact O-CG 3.3Å; I1380-E1384 PolarHBondContact O-N 3.42Å |
| 1381 | R | 78.1 | Confident | 69.7 | Low | 165 Ų | 165 | 81.6 Ų | 81.6 | 62% | 0.623 | 42% | 0.415 | S | S | * | . | H | α-helix | trans | -59.4 | -35.7 | 175.2 | -70.8 | 176.1 | -171.5 | 147.9 | 5.1 | 112.7 | Q1377 R1378 S1385 | Q1377-R1381 WeakPolarHBondContact O-CG 3.48Å; Q1377-R1381 PolarHBondContact O-N 2.97Å; Q1377-R1381 VanDerWaalsContact O-N 3.1Å; R1378-R1381 PolarHBondContact O-N 3.19Å; R1381-S1385 WeakPolarHBondContact O-CB 3.47Å; R1381-S1385 PolarHBondContact O-N 3.02Å; R1381-S1385 PolarHBondContact O-OG 3.15Å; R1381-S1385 VanDerWaalsContact O-OG 3.14Å |
| 1382 | L | 76.6 | Confident | 67.1 | Low | 81 Ų | 81 | 84.5 Ų | 84.5 | 42% | 0.424 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -67 | -42.3 | 174.6 | -71.9 | 167.5 | 0 | 0 | 0 | 111.6 | M1272 R1378 L1379 I1380 S1385 S1386 | M1272-L1382 HydrophobicContact CE-CB 4.01Å; R1378-L1382 WeakPolarHBondContact O-CG 3.41Å; R1378-L1382 PolarHBondContact O-N 3.47Å; R1378-L1382 VanDerWaalsContact O-N 3.12Å; L1379-L1382 WeakPolarHBondContact O-CB 3.37Å; L1379-L1382 PolarHBondContact O-N 3.26Å; I1380-L1382 PolarHBondContact O-N 3.43Å; L1382-S1385 WeakPolarHBondContact CA-OG 3.41Å; L1382-S1385 PolarHBondContact O-N 2.91Å; L1382-S1385 PolarHBondContact O-OG 3.37Å; L1382-S1386 PolarHBondContact O-N 3.03Å; L1382-S1386 VanDerWaalsContact O-N 3.07Å; L1382-S1386 PolarHBondContact O-OG 2.93Å |
| 1383 | F | 74.3 | Confident | 64.7 | Low | 34 Ų | 34 | 89.8 Ų | 89.8 | 15% | 0.149 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -63.9 | -46.9 | 175.6 | -170.4 | -109.2 | 0 | 0 | 0 | 111.8 | M1272 I1305 F1309 L1379 I1380 S1385 S1386 H1387 | M1272-F1383 HydrophobicContact CE-CB 3.8Å; M1272-F1383 HydrophobicContact CE-CD2 4.26Å; I1305-F1383 HydrophobicContact CB-CE2 4.02Å; I1305-F1383 HydrophobicContact CB-CZ 4.45Å; I1305-F1383 HydrophobicContact CD1-CE2 4.33Å; I1305-F1383 HydrophobicContact CG2-CD2 3.79Å; I1305-F1383 HydrophobicContact CG2-CE2 3.48Å; I1305-F1383 VanDerWaalsContact CG2-CE2 3.48Å; I1305-F1383 HydrophobicContact CG2-CZ 4.04Å; F1309-F1383 HydrophobicContact CE2-CB 4.24Å; F1309-F1383 HydrophobicContact CE2-CD1 4.35Å; F1309-F1383 HydrophobicContact CE2-CD2 4.4Å; F1309-F1383 HydrophobicContact CE2-CG 4.11Å; L1379-F1383 WeakPolarHBondContact O-CB 3.44Å; L1379-F1383 PolarHBondContact O-N 3.24Å; I1380-F1383 WeakPolarHBondContact O-CB 3.41Å; I1380-F1383 PolarHBondContact O-N 2.69Å; I1380-F1383 VanDerWaalsContact O-N 3.08Å; F1383-S1385 PolarHBondContact O-N 3.26Å; F1383-S1386 WeakPolarHBondContact CA-OG 3.37Å; F1383-S1386 PolarHBondContact O-N 2.92Å; F1383-S1386 PolarHBondContact O-OG 3.35Å; F1383-S1386 VanDerWaalsContact O-OG 3.05Å; F1383-H1387 AromaticContact CD1-CD2 3.87Å; F1383-H1387 AromaticContact CD2-NE2 3.89Å; F1383-H1387 AromaticContact CE1-CD2 3.72Å; F1383-H1387 AromaticContact CE1-NE2 3.71Å; F1383-H1387 AromaticContact CE2-CD2 3.98Å; F1383-H1387 AromaticContact CE2-NE2 3.35Å; F1383-H1387 WeakPolarHBondContact CE2-NE2 3.25Å; F1383-H1387 AromaticContact CZ-CD2 3.78Å; F1383-H1387 AromaticContact CZ-NE2 3.26Å; F1383-H1387 VanDerWaalsContact CZ-NE2 3.26Å; F1383-H1387 WeakPolarHBondContact CZ-NE2 3.17Å; F1383-H1387 PolarHBondContact O-CD2 2.79Å; F1383-H1387 VanDerWaalsContact O-CD2 3.27Å; F1383-H1387 PolarHBondContact O-N 2.73Å; F1383-H1387 VanDerWaalsContact O-N 3.09Å |
| 1384 | E | 73.5 | Confident | 62.1 | Low | 114 Ų | 114 | 91.3 Ų | 91.3 | 53% | 0.533 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -59.2 | -46.2 | 173.4 | -69.8 | 169.5 | 159.2 | 0 | 0 | 111.3 | I1380 S1386 H1387 S1388 | I1380-E1384 HydrophobicContact CG2-CG 4.18Å; I1380-E1384 WeakPolarHBondContact O-CB 3.35Å; I1380-E1384 WeakPolarHBondContact O-CG 3.3Å; I1380-E1384 PolarHBondContact O-N 3.42Å; E1384-S1386 PolarHBondContact O-N 3.01Å; E1384-H1387 PolarHBondContact O-N 3.47Å; E1384-H1387 VanDerWaalsContact O-N 3.17Å; E1384-S1388 WeakPolarHBondContact O-CB 3.3Å; E1384-S1388 PolarHBondContact O-N 2.96Å; E1384-S1388 PolarHBondContact O-OG 3.44Å |
| 1385 | S | 70.4 | Confident | 59.5 | Low | 57 Ų | 57 | 95.8 Ų | 95.8 | 40% | 0.399 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.8 | -16.5 | 179.1 | 73.3 | 0 | 0 | 0 | 0 | 115.1 | R1381 L1382 F1383 S1388 N1389 | R1381-S1385 WeakPolarHBondContact O-CB 3.47Å; R1381-S1385 PolarHBondContact O-N 3.02Å; R1381-S1385 PolarHBondContact O-OG 3.15Å; R1381-S1385 VanDerWaalsContact O-OG 3.14Å; L1382-S1385 WeakPolarHBondContact CA-OG 3.41Å; L1382-S1385 PolarHBondContact O-N 2.91Å; L1382-S1385 PolarHBondContact O-OG 3.37Å; F1383-S1385 PolarHBondContact O-N 3.26Å; S1385-S1388 WeakPolarHBondContact CA-OG 3.49Å; S1385-S1388 PolarHBondContact O-OG 3.33Å; S1385-N1389 PolarHBondContact O-ND2 3.28Å |
| 1386 | S | 59.4 | Low | 57 | Low | 63 Ų | 63 | 100.1 Ų | 100.1 | 44% | 0.441 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -93.3 | -21.6 | 173.6 | 38.5 | 0 | 0 | 0 | 0 | 112.4 | L1382 F1383 E1384 | L1382-S1386 PolarHBondContact O-N 3.03Å; L1382-S1386 VanDerWaalsContact O-N 3.07Å; L1382-S1386 PolarHBondContact O-OG 2.93Å; F1383-S1386 WeakPolarHBondContact CA-OG 3.37Å; F1383-S1386 PolarHBondContact O-N 2.92Å; F1383-S1386 PolarHBondContact O-OG 3.35Å; F1383-S1386 VanDerWaalsContact O-OG 3.05Å; E1384-S1386 PolarHBondContact O-N 3.01Å |
| 1387 | H | 52.8 | Low | 54.6 | Low | 91 Ų | 91 | 106.3 Ų | 106.3 | 42% | 0.421 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -88.4 | -24.3 | 170.2 | -72.4 | -53.3 | 0 | 0 | 0 | 114.1 | F1383 E1384 N1389 | F1383-H1387 AromaticContact CD1-CD2 3.87Å; F1383-H1387 AromaticContact CD2-NE2 3.89Å; F1383-H1387 AromaticContact CE1-CD2 3.72Å; F1383-H1387 AromaticContact CE1-NE2 3.71Å; F1383-H1387 AromaticContact CE2-CD2 3.98Å; F1383-H1387 AromaticContact CE2-NE2 3.35Å; F1383-H1387 WeakPolarHBondContact CE2-NE2 3.25Å; F1383-H1387 AromaticContact CZ-CD2 3.78Å; F1383-H1387 AromaticContact CZ-NE2 3.26Å; F1383-H1387 VanDerWaalsContact CZ-NE2 3.26Å; F1383-H1387 WeakPolarHBondContact CZ-NE2 3.17Å; F1383-H1387 PolarHBondContact O-CD2 2.79Å; F1383-H1387 VanDerWaalsContact O-CD2 3.27Å; F1383-H1387 PolarHBondContact O-N 2.73Å; F1383-H1387 VanDerWaalsContact O-N 3.09Å; E1384-H1387 PolarHBondContact O-N 3.47Å; E1384-H1387 VanDerWaalsContact O-N 3.17Å; H1387-N1389 VanDerWaalsContact C-N 3.26Å; H1387-N1389 PolarHBondContact O-N 3.05Å |
| 1388 | S | 48.7 | Very low | 52 | Low | 66 Ų | 66 | 108.6 Ų | 108.6 | 46% | 0.462 | 56% | 0.557 | S | S | . | * | G | 310 helix | trans | -69.3 | -15.2 | -177.3 | 59.1 | 0 | 0 | 0 | 0 | 115.5 | E1384 S1385 N1390 | E1384-S1388 WeakPolarHBondContact O-CB 3.3Å; E1384-S1388 PolarHBondContact O-N 2.96Å; E1384-S1388 PolarHBondContact O-OG 3.44Å; S1385-S1388 WeakPolarHBondContact CA-OG 3.49Å; S1385-S1388 PolarHBondContact O-OG 3.33Å; S1388-N1390 VanDerWaalsContact C-N 3.32Å; S1388-N1390 PolarHBondContact O-N 3.11Å |
| 1389 | N | 39.9 | Very low | 49.6 | Very low | 124 Ų | 124 | 107 Ų | 107 | 66% | 0.663 | 56% | 0.562 | S | S | * | * | G | 310 helix | trans | -83.9 | -4.4 | -168.9 | -62.9 | -15.1 | 0 | 0 | 0 | 114.2 | S1385 H1387 | S1385-N1389 PolarHBondContact O-ND2 3.28Å; H1387-N1389 VanDerWaalsContact C-N 3.26Å; H1387-N1389 PolarHBondContact O-N 3.05Å |
| 1390 | N | 35.2 | Very low | 47.1 | Very low | 152 Ų | 152 | 113.5 Ų | 113.5 | 81% | 0.813 | 59% | 0.592 | S | S | * | * | G | 310 helix | trans | -100.8 | 19.3 | -177.8 | -73.5 | 2.3 | 0 | 0 | 0 | 114.1 | S1388 | S1388-N1390 VanDerWaalsContact C-N 3.32Å; S1388-N1390 PolarHBondContact O-N 3.11Å |
| 1391 | S | 28.9 | Very low | 44.9 | Very low | 96 Ų | 96 | 120.8 Ų | 120.8 | 67% | 0.671 | 62% | 0.619 | S | S | * | * | trans | -124.6 | 72.9 | 173.9 | 64.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1392 | L | 29 | Very low | 42.6 | Very low | 155 Ų | 155 | 119.3 Ų | 119.3 | 81% | 0.812 | 62% | 0.623 | S | S | * | * | trans | -78.8 | 122.8 | 173.5 | -161 | 74.9 | 0 | 0 | 0 | 110 | ||||
| 1393 | P | 30.8 | Very low | 40.3 | Very low | 119 Ų | 119 | 120.4 Ų | 120.4 | 77% | 0.773 | 63% | 0.633 | S | S | * | * | trans | -83 | 137.3 | -173.6 | 32 | -34.4 | 0 | 0 | 0 | 112.4 | ||||
| 1394 | H | 30.2 | Very low | 38 | Very low | 147 Ų | 147 | 125.7 Ų | 125.7 | 68% | 0.681 | 66% | 0.662 | S | S | * | * | trans | -123.9 | 116.9 | 176 | -110.8 | -82 | 0 | 0 | 0 | 111.5 | ||||
| 1395 | H | 30.1 | Very low | 36.1 | Very low | 158 Ų | 158 | 125.4 Ų | 125.4 | 73% | 0.731 | 67% | 0.673 | S | S | * | * | trans | 66 | 144.7 | 173.8 | -51.7 | -73.8 | 0 | 0 | 0 | 114.8 | ||||
| 1396 | Q | 30.1 | Very low | 34.2 | Very low | 161 Ų | 161 | 129.2 Ų | 129.2 | 75% | 0.752 | 69% | 0.688 | S | S | * | * | cis | -164 | 164.3 | 10.8 | -136.2 | 168.4 | -28 | 0 | 0 | 110.7 | ||||
| 1397 | L | 32.7 | Very low | 32.7 | Very low | 132 Ų | 132 | 134 Ų | 134 | 69% | 0.691 | 70% | 0.703 | S | S | * | * | trans | 68.4 | 90.1 | 156.4 | -68.3 | 153.4 | 0 | 0 | 0 | 119.6 | ||||
| 1398 | D | 28.8 | Very low | 31.6 | Very low | 130 Ų | 130 | 135.7 Ų | 135.7 | 70% | 0.695 | 72% | 0.715 | S | S | * | * | 52.6 | 148.6 | 110.3 | -47.1 | -22 | 0 | 0 | 0 | 123.2 | |||||
| 1399 | N | 32.7 | Very low | 30.9 | Very low | 150 Ų | 150 | 141.4 Ų | 141.4 | 80% | 0.802 | 74% | 0.735 | S | S | * | * | trans | 83.6 | 109.4 | 179.2 | -45.2 | -66.1 | 0 | 0 | 0 | 114.4 | ||||
| 1400 | E | 27.6 | Very low | 30.5 | Very low | 155 Ų | 155 | 142.3 Ų | 142.3 | 72% | 0.724 | 74% | 0.739 | S | S | * | * | cis | 93.4 | 148.9 | 45.2 | -166.9 | 175 | -114.4 | 0 | 0 | 112.7 | ||||
| 1401 | Y | 33 | Very low | 30.2 | Very low | 186 Ų | 186 | 143 Ų | 143 | 73% | 0.729 | 74% | 0.737 | S | S | * | * | trans | 77.3 | 113.2 | -166.9 | -65.9 | -94.4 | 0 | 0 | 0 | 114.9 | ||||
| 1402 | L | 29.1 | Very low | 30.3 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 71% | 0.707 | 75% | 0.746 | S | S | * | * | 75.2 | 137.4 | 67.6 | -87 | 80.3 | 0 | 0 | 0 | 113.9 | |||||
| 1403 | T | 28.8 | Very low | 30.4 | Very low | 104 Ų | 104 | 142.7 Ų | 142.7 | 64% | 0.638 | 74% | 0.742 | S | S | * | * | cis | -168.5 | 178.1 | -21.1 | 22.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1404 | D | 27.4 | Very low | 30.3 | Very low | 144 Ų | 144 | 144.3 Ų | 144.3 | 77% | 0.77 | 74% | 0.743 | S | S | * | * | trans | 82.6 | 150.4 | 148.6 | -57.1 | -46.1 | 0 | 0 | 0 | 122.6 | ||||
| 1405 | S | 32.5 | Very low | 30.3 | Very low | 108 Ų | 108 | 143.4 Ų | 143.4 | 76% | 0.755 | 75% | 0.747 | S | S | * | * | trans | 58.7 | 110.3 | 172.9 | -130 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 1406 | I | 31.6 | Very low | 30.2 | Very low | 138 Ų | 138 | 142.2 Ų | 142.2 | 71% | 0.708 | 75% | 0.746 | S | S | * | * | cis | 71.7 | 130.8 | 27.6 | -46.1 | 171 | 0 | 0 | 0 | 114 | ||||
| 1407 | E | 27.5 | Very low | 30.1 | Very low | 162 Ų | 162 | 139.9 Ų | 139.9 | 76% | 0.757 | 75% | 0.745 | S | S | * | * | trans | 88.8 | 133.8 | 155.5 | -97.1 | 170.1 | 147.9 | 0 | 0 | 124.1 | ||||
| 1408 | N | 28.2 | Very low | 29.9 | Very low | 128 Ų | 128 | 139.8 Ų | 139.8 | 68% | 0.684 | 75% | 0.745 | S | S | * | * | trans | 90 | 141 | 151.8 | -64.8 | -43.5 | 0 | 0 | 0 | 122.4 | ||||
| 1409 | Q | 35.7 | Very low | 30 | Very low | 186 Ų | 186 | 141.1 Ų | 141.1 | 87% | 0.869 | 75% | 0.745 | S | S | * | * | trans | 64.3 | 97.5 | 179.5 | -55.1 | -178.2 | 19.5 | 0 | 0 | 114.3 | ||||
| 1410 | L | 29.9 | Very low | 30 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 75% | 0.749 | 73% | 0.733 | S | S | * | * | cis | 67.2 | 123.6 | 17.9 | -100.5 | 169.5 | 0 | 0 | 0 | 116.4 | ||||
| 1411 | E | 30.3 | Very low | 30.3 | Very low | 165 Ų | 165 | 134.4 Ų | 134.4 | 77% | 0.771 | 72% | 0.723 | S | S | * | * | trans | 82.1 | 152.9 | 153.5 | -85.1 | 169 | -161.4 | 0 | 0 | 123.9 | ||||
| 1412 | T | 29.9 | Very low | 30.3 | Very low | 141 Ų | 141 | 131.1 Ų | 131.1 | 87% | 0.865 | 72% | 0.718 | S | S | * | * | trans | 69.5 | 126.8 | -178.4 | 70.5 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1413 | S | 30.8 | Very low | 30.5 | Very low | 105 Ų | 105 | 130.1 Ų | 130.1 | 73% | 0.734 | 71% | 0.709 | S | S | * | * | cis | -135.3 | 116.3 | -6.3 | 56.9 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1414 | I | 29.2 | Very low | 30.8 | Very low | 153 Ų | 153 | 131.2 Ų | 131.2 | 79% | 0.785 | 71% | 0.707 | S | S | * | * | trans | -79.7 | 131 | 164.4 | -63.7 | 166.5 | 0 | 0 | 0 | 107.6 | ||||
| 1415 | V | 31.3 | Very low | 31.1 | Very low | 128 Ų | 128 | 130.8 Ų | 130.8 | 78% | 0.776 | 70% | 0.701 | S | S | * | * | trans | -119.4 | 123.2 | 162.1 | 179.9 | 0 | 0 | 0 | 0 | 106.6 | P1417 | V1415-P1417 VanDerWaalsContact O-CD 3.27Å; V1415-P1417 WeakPolarHBondContact O-CD 3.35Å | ||
| 1416 | N | 26.9 | Very low | 31.3 | Very low | 132 Ų | 132 | 130.6 Ų | 130.6 | 71% | 0.706 | 69% | 0.69 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 125.4 | -167.1 | -62 | -36.2 | 0 | 0 | 0 | 112.3 | ||
| 1417 | P | 28.1 | Very low | 31.3 | Very low | 113 Ų | 113 | 128.9 Ų | 128.9 | 73% | 0.734 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -75.1 | 135.6 | 137.5 | 33 | -29.3 | 0 | 0 | 0 | 108.3 | V1415 K1419 | V1415-P1417 VanDerWaalsContact O-CD 3.27Å; V1415-P1417 WeakPolarHBondContact O-CD 3.35Å; P1417-K1419 PolarHBondContact O-N 3.19Å |
| 1418 | D | 29.2 | Very low | 31.6 | Very low | 130 Ų | 130 | 128.5 Ų | 128.5 | 70% | 0.695 | 68% | 0.681 | S | S | * | * | P | Polyproline II helix | trans | -63.4 | 125.8 | 179.3 | -90.2 | -48.5 | 0 | 0 | 0 | 111.5 | S1420 | D1418-S1420 PolarHBondContact O-N 3.44Å; D1418-S1420 VanDerWaalsContact O-N 3.09Å |
| 1419 | K | 31.2 | Very low | 31.9 | Very low | 158 Ų | 158 | 128.3 Ų | 128.3 | 69% | 0.687 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -65.4 | -14.2 | -173 | -101.5 | -174.6 | 170.2 | -169.2 | 0 | 114.9 | P1417 | P1417-K1419 PolarHBondContact O-N 3.19Å |
| 1420 | S | 32.3 | Very low | 31.8 | Very low | 79 Ų | 79 | 129 Ų | 129 | 55% | 0.552 | 68% | 0.68 | S | S | * | * | H | α-helix | trans | -68.3 | -35.3 | -174.6 | 52.6 | 0 | 0 | 0 | 0 | 114 | D1418 Q1424 | D1418-S1420 PolarHBondContact O-N 3.44Å; D1418-S1420 VanDerWaalsContact O-N 3.09Å; S1420-Q1424 WeakPolarHBondContact O-CG 3.43Å |
| 1421 | T | 32.7 | Very low | 31.8 | Very low | 84 Ų | 84 | 127.2 Ų | 127.2 | 52% | 0.515 | 68% | 0.675 | S | S | . | * | H | α-helix | trans | -83.4 | -33.7 | -171.1 | -13.8 | 0 | 0 | 0 | 0 | 113.2 | Q1425 | T1421-Q1425 PolarHBondContact O-N 3.47Å |
| 1422 | L | 33.8 | Very low | 31.8 | Very low | 117 Ų | 117 | 127.3 Ų | 127.3 | 61% | 0.613 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -75.8 | -37.3 | -177.5 | -153 | 77.9 | 0 | 0 | 0 | 112 | Q1424 Q1425 I1426 | L1422-Q1424 VanDerWaalsContact C-N 3.28Å; L1422-Q1424 PolarHBondContact O-N 2.84Å; L1422-Q1425 PolarHBondContact O-N 3.18Å; L1422-I1426 HydrophobicContact CD2-CD1 4.37Å; L1422-I1426 HydrophobicContact CG-CD1 4.09Å; L1422-I1426 WeakPolarHBondContact O-CG1 3.44Å; L1422-I1426 PolarHBondContact O-N 3.11Å |
| 1423 | E | 33.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 129.5 Ų | 129.5 | 53% | 0.533 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -74.9 | -14.4 | 177.5 | -69 | 179.3 | -175.4 | 0 | 0 | 112.8 | N1427 | E1423-N1427 PolarHBondContact O-ND2 3.01Å |
| 1424 | Q | 34.9 | Very low | 31.8 | Very low | 127 Ų | 127 | 133.3 Ų | 133.3 | 59% | 0.593 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -79.8 | -50.8 | 167.1 | -73.6 | -176.5 | -48.8 | 0 | 0 | 111.7 | S1420 L1422 I1426 N1427 E1428 | S1420-Q1424 WeakPolarHBondContact O-CG 3.43Å; L1422-Q1424 VanDerWaalsContact C-N 3.28Å; L1422-Q1424 PolarHBondContact O-N 2.84Å; Q1424-I1426 PolarHBondContact O-N 3.15Å; Q1424-N1427 PolarHBondContact O-N 3.27Å; Q1424-E1428 PolarHBondContact O-N 3.23Å |
| 1425 | Q | 33.9 | Very low | 31.8 | Very low | 135 Ų | 135 | 132.9 Ų | 132.9 | 63% | 0.631 | 69% | 0.686 | S | S | * | * | H | α-helix | trans | -66.9 | -20.1 | -177.4 | -69.8 | -172.3 | -14.2 | 0 | 0 | 114.6 | T1421 L1422 | T1421-Q1425 PolarHBondContact O-N 3.47Å; L1422-Q1425 PolarHBondContact O-N 3.18Å |
| 1426 | I | 37 | Very low | 31.9 | Very low | 104 Ų | 104 | 136 Ų | 136 | 53% | 0.533 | 69% | 0.689 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -82.2 | -26.5 | 173.8 | -69.1 | 170.8 | 0 | 0 | 0 | 112.1 | L1422 Q1424 | L1422-I1426 HydrophobicContact CD2-CD1 4.37Å; L1422-I1426 HydrophobicContact CG-CD1 4.09Å; L1422-I1426 WeakPolarHBondContact O-CG1 3.44Å; L1422-I1426 PolarHBondContact O-N 3.11Å; Q1424-I1426 PolarHBondContact O-N 3.15Å |
| 1427 | N | 31.9 | Very low | 32 | Very low | 103 Ų | 103 | 136.3 Ų | 136.3 | 55% | 0.551 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.6 | -31.6 | -176.2 | -79.9 | -49.9 | 0 | 0 | 0 | 113.9 | E1423 Q1424 V1429 Y1430 | E1423-N1427 PolarHBondContact O-ND2 3.01Å; Q1424-N1427 PolarHBondContact O-N 3.27Å; N1427-V1429 PolarHBondContact O-N 3.37Å; N1427-V1429 VanDerWaalsContact O-N 3.12Å; N1427-Y1430 PolarHBondContact O-N 3.37Å |
| 1428 | E | 33.5 | Very low | 32.1 | Very low | 153 Ų | 153 | 142.7 Ų | 142.7 | 72% | 0.715 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.7 | -11.9 | -179.8 | -70.5 | -175 | 142.4 | 0 | 0 | 114.6 | Q1424 | Q1424-E1428 PolarHBondContact O-N 3.23Š|
| 1429 | V | 34.3 | Very low | 32.1 | Very low | 124 Ų | 124 | 143.7 Ų | 143.7 | 75% | 0.752 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.1 | -13 | 179.8 | -175.4 | 0 | 0 | 0 | 0 | 112.8 | N1427 | N1427-V1429 PolarHBondContact O-N 3.37Å; N1427-V1429 VanDerWaalsContact O-N 3.12Å |
| 1430 | Y | 32.5 | Very low | 32 | Very low | 201 Ų | 201 | 141.1 Ų | 141.1 | 79% | 0.788 | 70% | 0.696 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.7 | -6.9 | -176.5 | -96.5 | -81.5 | 0 | 0 | 0 | 114.8 | N1427 N1432 | N1427-Y1430 PolarHBondContact O-N 3.37Å; Y1430-N1432 PolarHBondContact O-N 3.16Å |
| 1431 | T | 30.3 | Very low | 31.9 | Very low | 106 Ų | 106 | 143.1 Ų | 143.1 | 65% | 0.65 | 70% | 0.704 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 75.4 | -174.7 | 52.9 | 0 | 0 | 0 | 0 | 113.1 | ||
| 1432 | N | 29.8 | Very low | 31.8 | Very low | 167 Ų | 167 | 147.6 Ų | 147.6 | 89% | 0.893 | 72% | 0.72 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.5 | 12.6 | 161.1 | -107.9 | -30.4 | 0 | 0 | 0 | 116.2 | Y1430 | Y1430-N1432 PolarHBondContact O-N 3.16Š|
| 1433 | E | 30.2 | Very low | 31.6 | Very low | 186 Ų | 186 | 148.8 Ų | 148.8 | 87% | 0.869 | 73% | 0.726 | S | S | * | * | trans | -104.5 | 107.7 | 166.1 | -70.8 | -164.9 | 150.4 | 0 | 0 | 110.6 | ||||
| 1434 | H | 30.7 | Very low | 31.5 | Very low | 185 Ų | 185 | 151.9 Ų | 151.9 | 86% | 0.856 | 74% | 0.74 | S | S | * | * | trans | -151.2 | 139.3 | 167.6 | -116.6 | -80.4 | 0 | 0 | 0 | 111.5 | ||||
| 1435 | L | 30.2 | Very low | 31.3 | Very low | 145 Ų | 145 | 151.5 Ų | 151.5 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 100.8 | 94.8 | 175.3 | -60.9 | 164.1 | 0 | 0 | 0 | 115.7 | ||||
| 1436 | F | 32.4 | Very low | 31.2 | Very low | 194 Ų | 194 | 153.8 Ų | 153.8 | 85% | 0.851 | 75% | 0.753 | S | S | * | * | -154.5 | 151.3 | 70.6 | -117.2 | -86.6 | 0 | 0 | 0 | 113.6 | |||||
| 1437 | E | 29.5 | Very low | 30.9 | Very low | 137 Ų | 137 | 157 Ų | 157 | 64% | 0.64 | 77% | 0.766 | S | S | * | * | trans | -77.4 | 153.3 | 172.6 | -66.9 | -178.4 | 93.8 | 0 | 0 | 112.1 | K1439 | E1437-K1439 IonicContact OE1-NZ 2.81Å; E1437-K1439 PolarHBondContact OE1-NZ 3.14Å | ||
| 1438 | R | 29.5 | Very low | 31 | Very low | 247 Ų | 247 | 161.1 Ų | 161.1 | 93% | 0.932 | 78% | 0.782 | S | S | * | * | -155.6 | 121.1 | 120.3 | -115.4 | 176.1 | -176.9 | 170.2 | 1.5 | 114.7 | |||||
| 1439 | K | 29.1 | Very low | 31 | Very low | 152 Ų | 152 | 162.8 Ų | 162.8 | 66% | 0.661 | 79% | 0.789 | S | S | * | * | trans | -70.1 | 163.6 | 148.2 | -53.7 | 168.3 | -176.4 | 110.8 | 0 | 107.1 | E1437 | E1437-K1439 IonicContact OE1-NZ 2.81Å; E1437-K1439 PolarHBondContact OE1-NZ 3.14Å | ||
| 1440 | S | 30 | Very low | 31 | Very low | 104 Ų | 104 | 162 Ų | 162 | 73% | 0.727 | 79% | 0.787 | S | S | * | * | cis | -173.2 | 152.9 | 15.7 | 8.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 1441 | V | 29.7 | Very low | 31.1 | Very low | 120 Ų | 120 | 159.2 Ų | 159.2 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | trans | 84.3 | 138.1 | 132.4 | 167 | 0 | 0 | 0 | 0 | 122.3 | ||||
| 1442 | E | 30.7 | Very low | 31 | Very low | 179 Ų | 179 | 157.5 Ų | 157.5 | 84% | 0.836 | 79% | 0.794 | S | S | * | * | trans | 78.9 | 147.6 | 156.5 | -89.3 | 151.9 | -166.8 | 0 | 0 | 123.5 | ||||
| 1443 | N | 29.2 | Very low | 31.1 | Very low | 141 Ų | 141 | 155.9 Ų | 155.9 | 75% | 0.754 | 79% | 0.789 | S | S | * | * | trans | -104.3 | 156.6 | -175.6 | -40.4 | -74 | 0 | 0 | 0 | 109.8 | ||||
| 1444 | H | 31.8 | Very low | 31 | Very low | 179 Ų | 179 | 152.9 Ų | 152.9 | 83% | 0.829 | 79% | 0.789 | S | S | * | * | -167.8 | 153.5 | 111.5 | -107.8 | -62.9 | 0 | 0 | 0 | 112.3 | |||||
| 1445 | D | 30.2 | Very low | 31 | Very low | 120 Ų | 120 | 150.2 Ų | 150.2 | 64% | 0.642 | 79% | 0.786 | S | S | * | * | trans | -61.5 | 140.9 | 167.8 | -47.7 | -99.3 | 0 | 0 | 0 | 111.5 | ||||
| 1446 | H | 33.1 | Very low | 30.9 | Very low | 182 Ų | 182 | 149.1 Ų | 149.1 | 84% | 0.843 | 79% | 0.79 | S | S | * | * | -178.9 | 169.9 | 100.1 | -89.7 | -54.4 | 0 | 0 | 0 | 112.3 | |||||
| 1447 | Q | 31 | Very low | 30.8 | Very low | 172 Ų | 172 | 145.7 Ų | 145.7 | 80% | 0.804 | 79% | 0.786 | S | S | * | * | trans | -71.7 | 144.7 | -176 | -57.7 | 156.2 | -25 | 0 | 0 | 112.1 | ||||
| 1448 | Q | 33.1 | Very low | 30.8 | Very low | 189 Ų | 189 | 146.1 Ų | 146.1 | 88% | 0.883 | 80% | 0.797 | S | S | * | * | -173.6 | 172.9 | 114.2 | -99.6 | 169.6 | 23.7 | 0 | 0 | 113.3 | |||||
| 1449 | H | 32.4 | Very low | 30.9 | Very low | 188 Ų | 188 | 142.9 Ų | 142.9 | 87% | 0.87 | 79% | 0.793 | S | S | * | * | trans | -86.2 | 166 | -162.6 | -102.1 | -105 | 0 | 0 | 0 | 115.1 | ||||
| 1450 | P | 36.1 | Very low | 31.2 | Very low | 108 Ų | 108 | 145.2 Ų | 145.2 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -94.3 | 163.5 | -163.9 | 37.6 | -36.8 | 0 | 0 | 0 | 115 | ||||
| 1451 | V | 32.9 | Very low | 31.5 | Very low | 143 Ų | 143 | 146.5 Ų | 146.5 | 87% | 0.867 | 81% | 0.807 | S | S | * | * | trans | -132.5 | 126.9 | 156 | 179.4 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 1452 | G | 28.7 | Very low | 31.7 | Very low | 70 Ų | 70 | 145.3 Ų | 145.3 | 72% | 0.722 | 80% | 0.801 | S | S | * | * | trans | -93.3 | 148.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1453 | V | 31.7 | Very low | 32.4 | Very low | 132 Ų | 132 | 140.1 Ų | 140.1 | 80% | 0.8 | 79% | 0.785 | S | S | * | * | trans | -134 | 121.1 | 162.5 | 178.6 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1454 | S | 28.1 | Very low | 33.2 | Very low | 124 Ų | 124 | 140 Ų | 140 | 87% | 0.867 | 78% | 0.783 | S | S | * | * | trans | -89.1 | 124.3 | 176 | -50.8 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 1455 | T | 31.8 | Very low | 33.6 | Very low | 129 Ų | 129 | 140 Ų | 140 | 79% | 0.791 | 78% | 0.777 | S | S | * | * | trans | -128.9 | 124.3 | 163.1 | 41.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1456 | S | 27.1 | Very low | 34.3 | Very low | 121 Ų | 121 | 136.4 Ų | 136.4 | 85% | 0.846 | 76% | 0.761 | S | S | * | * | trans | -88.1 | 121.2 | -176 | 53.9 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1457 | T | 30.8 | Very low | 35.2 | Very low | 123 Ų | 123 | 131.2 Ų | 131.2 | 76% | 0.755 | 75% | 0.746 | S | S | * | * | trans | -122.8 | 127.9 | 162.6 | 45.1 | 0 | 0 | 0 | 0 | 109.9 | E1459 | T1457-E1459 PolarHBondContact O-N 3.42Å; T1457-E1459 VanDerWaalsContact O-N 3.1Å | ||
| 1458 | T | 29.9 | Very low | 36.3 | Very low | 145 Ų | 145 | 127.2 Ų | 127.2 | 89% | 0.89 | 73% | 0.729 | S | S | * | * | trans | -77.5 | 92.4 | -173.6 | 50.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1459 | E | 31 | Very low | 37 | Very low | 180 Ų | 180 | 120.7 Ų | 120.7 | 84% | 0.841 | 70% | 0.703 | S | S | * | * | P | Polyproline II helix | trans | -91.2 | 122.8 | 168 | -63.5 | -159.4 | 136.6 | 0 | 0 | 110.6 | T1457 T1461 | T1457-E1459 PolarHBondContact O-N 3.42Å; T1457-E1459 VanDerWaalsContact O-N 3.1Å; E1459-T1461 PolarHBondContact O-N 3.18Å |
| 1460 | K | 35.9 | Very low | 38 | Very low | 201 Ų | 201 | 116.7 Ų | 116.7 | 87% | 0.874 | 69% | 0.688 | S | S | * | * | P | Polyproline II helix | trans | -75 | 119.6 | 176.9 | -66.9 | 177.7 | -179.9 | 177 | 0 | 108.5 | ||
| 1461 | T | 35.7 | Very low | 39 | Very low | 130 Ų | 130 | 116.7 Ų | 116.7 | 80% | 0.798 | 68% | 0.682 | S | S | * | * | P | Polyproline II helix | trans | -53.8 | 122.9 | 171.6 | 44.3 | 0 | 0 | 0 | 0 | 110 | E1459 S1463 | E1459-T1461 PolarHBondContact O-N 3.18Å; T1461-S1463 PolarHBondContact O-N 3.31Å |
| 1462 | P | 35.2 | Very low | 39.6 | Very low | 95 Ų | 95 | 113.1 Ų | 113.1 | 62% | 0.617 | 66% | 0.658 | S | S | * | * | P | Polyproline II helix | trans | -63.9 | 126.8 | 175.4 | 26.7 | -32.8 | 0 | 0 | 0 | 108.3 | ||
| 1463 | S | 45 | Very low | 40.9 | Very low | 71 Ų | 71 | 116.9 Ų | 116.9 | 50% | 0.497 | 66% | 0.656 | S | S | . | * | P | Polyproline II helix | trans | -61.8 | 154.9 | 176.4 | 63.4 | 0 | 0 | 0 | 0 | 110.2 | T1461 Y1465 S1466 S1467 | T1461-S1463 PolarHBondContact O-N 3.31Å; S1463-Y1465 PolarHBondContact O-N 3.39Å; S1463-Y1465 WeakPolarHBondContact OG-CB 3.49Å; S1463-S1466 WeakPolarHBondContact O-CA 3.47Å; S1463-S1466 VanDerWaalsContact O-CB 3.29Å; S1463-S1466 WeakPolarHBondContact O-CB 3.36Å; S1463-S1466 PolarHBondContact O-N 2.76Å; S1463-S1466 PolarHBondContact OG-N 3.11Å; S1463-S1467 PolarHBondContact O-N 2.79Å |
| 1464 | I | 45.1 | Very low | 42 | Very low | 138 Ų | 138 | 121.1 Ų | 121.1 | 71% | 0.708 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -52.5 | -33.7 | 173.3 | -62.7 | 169.2 | 0 | 0 | 0 | 110.4 | S1466 S1467 I1468 | I1464-S1466 PolarHBondContact O-N 2.87Å; I1464-S1467 PolarHBondContact O-N 3.42Å; I1464-I1468 HydrophobicContact CG2-CD1 3.82Å; I1464-I1468 HydrophobicContact CG2-CG1 4.42Å; I1464-I1468 WeakPolarHBondContact O-CG1 3.5Å; I1464-I1468 PolarHBondContact O-N 2.88Å |
| 1465 | Y | 41.3 | Very low | 43.1 | Very low | 179 Ų | 179 | 120.6 Ų | 120.6 | 70% | 0.702 | 64% | 0.644 | S | S | * | * | H | α-helix | trans | -58.6 | -40.5 | 171.9 | -132.9 | -85.4 | 0 | 0 | 0 | 113.6 | S1463 I1468 C1469 | S1463-Y1465 PolarHBondContact O-N 3.39Å; S1463-Y1465 WeakPolarHBondContact OG-CB 3.49Å; Y1465-I1468 PolarHBondContact O-N 3.35Å; Y1465-C1469 VanDerWaalsContact O-CB 3.3Å; Y1465-C1469 WeakPolarHBondContact O-CB 3.48Å; Y1465-C1469 PolarHBondContact O-N 3.23Å; Y1465-C1469 PolarHBondContact O-SG 3.33Å |
| 1466 | S | 45.4 | Very low | 43.7 | Very low | 45 Ų | 45 | 118.8 Ų | 118.8 | 32% | 0.315 | 63% | 0.629 | S | S | . | * | H | α-helix | trans | -64.8 | -43.7 | 175.7 | -176.9 | 0 | 0 | 0 | 0 | 111.7 | S1463 I1464 C1469 N1470 | S1463-S1466 WeakPolarHBondContact O-CA 3.47Å; S1463-S1466 VanDerWaalsContact O-CB 3.29Å; S1463-S1466 WeakPolarHBondContact O-CB 3.36Å; S1463-S1466 PolarHBondContact O-N 2.76Å; S1463-S1466 PolarHBondContact OG-N 3.11Å; I1464-S1466 PolarHBondContact O-N 2.87Å; S1466-C1469 PolarHBondContact O-N 3.34Å; S1466-N1470 WeakPolarHBondContact O-CB 3.34Å; S1466-N1470 VanDerWaalsContact O-CG 3.31Å; S1466-N1470 PolarHBondContact O-N 3.37Å; S1466-N1470 PolarHBondContact O-ND2 2.9Å; S1466-N1470 VanDerWaalsContact O-ND2 3.12Å |
| 1467 | S | 50.7 | Low | 44.2 | Very low | 73 Ų | 73 | 118.8 Ų | 118.8 | 51% | 0.51 | 63% | 0.626 | S | S | . | * | H | α-helix | trans | -63.8 | -41.3 | 175.5 | -63.4 | 0 | 0 | 0 | 0 | 112.1 | S1463 I1464 L1471 | S1463-S1467 PolarHBondContact O-N 2.79Å; I1464-S1467 PolarHBondContact O-N 3.42Å; S1467-L1471 WeakPolarHBondContact O-CB 3.42Å; S1467-L1471 PolarHBondContact O-N 3.14Å |
| 1468 | I | 54.5 | Low | 44.8 | Very low | 87 Ų | 87 | 116.3 Ų | 116.3 | 45% | 0.446 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -65.8 | -45.4 | 175.7 | -69.2 | 170.1 | 0 | 0 | 0 | 111.2 | I1464 Y1465 N1470 L1471 L1472 | I1464-I1468 HydrophobicContact CG2-CD1 3.82Å; I1464-I1468 HydrophobicContact CG2-CG1 4.42Å; I1464-I1468 WeakPolarHBondContact O-CG1 3.5Å; I1464-I1468 PolarHBondContact O-N 2.88Å; Y1465-I1468 PolarHBondContact O-N 3.35Å; I1468-N1470 PolarHBondContact O-N 3.06Å; I1468-L1471 PolarHBondContact O-N 3.32Å; I1468-L1472 HydrophobicContact CG2-CD1 3.85Å; I1468-L1472 HydrophobicContact CG2-CG 4.49Å; I1468-L1472 WeakPolarHBondContact O-CB 3.14Å; I1468-L1472 WeakPolarHBondContact O-CG 3.38Å; I1468-L1472 PolarHBondContact O-N 3.42Å |
| 1469 | C | 46.8 | Very low | 45.4 | Very low | 52 Ų | 52 | 116 Ų | 116 | 35% | 0.351 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -64 | -39.1 | 176.9 | -74.7 | 0 | 0 | 0 | 0 | 112.6 | Y1465 S1466 L1472 H1473 | Y1465-C1469 VanDerWaalsContact O-CB 3.3Å; Y1465-C1469 WeakPolarHBondContact O-CB 3.48Å; Y1465-C1469 PolarHBondContact O-N 3.23Å; Y1465-C1469 PolarHBondContact O-SG 3.33Å; S1466-C1469 PolarHBondContact O-N 3.34Å; C1469-L1472 PolarHBondContact O-N 2.98Å; C1469-H1473 WeakPolarHBondContact O-CB 3.35Å; C1469-H1473 PolarHBondContact O-N 3.41Å |
| 1470 | N | 55.3 | Low | 46.1 | Very low | 104 Ų | 104 | 114.2 Ų | 114.2 | 56% | 0.556 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -68.6 | -36.4 | 174.9 | -76.2 | -37 | 0 | 0 | 0 | 112.1 | S1466 I1468 R1474 | S1466-N1470 WeakPolarHBondContact O-CB 3.34Å; S1466-N1470 VanDerWaalsContact O-CG 3.31Å; S1466-N1470 PolarHBondContact O-N 3.37Å; S1466-N1470 PolarHBondContact O-ND2 2.9Å; S1466-N1470 VanDerWaalsContact O-ND2 3.12Å; I1468-N1470 PolarHBondContact O-N 3.06Å; N1470-R1474 VanDerWaalsContact O-CB 3.28Å; N1470-R1474 WeakPolarHBondContact O-CB 3.45Å; N1470-R1474 PolarHBondContact O-N 2.9Å; N1470-R1474 VanDerWaalsContact O-N 3.08Å |
| 1471 | L | 55.4 | Low | 46.5 | Very low | 109 Ų | 109 | 106.5 Ų | 106.5 | 57% | 0.571 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -64.3 | -45.4 | 173.2 | -167.6 | 70.7 | 0 | 0 | 0 | 111 | S1467 I1468 R1474 I1475 | S1467-L1471 WeakPolarHBondContact O-CB 3.42Å; S1467-L1471 PolarHBondContact O-N 3.14Å; I1468-L1471 PolarHBondContact O-N 3.32Å; L1471-R1474 PolarHBondContact O-N 3.05Å; L1471-I1475 HydrophobicContact CG-CD1 4.14Å; L1471-I1475 WeakPolarHBondContact O-CD1 3.43Å; L1471-I1475 VanDerWaalsContact O-CG1 3.31Å; L1471-I1475 WeakPolarHBondContact O-CG1 3.17Å; L1471-I1475 PolarHBondContact O-N 3.46Å; L1471-I1475 VanDerWaalsContact O-N 3.17Å |
| 1472 | L | 47.1 | Very low | 47.1 | Very low | 68 Ų | 68 | 107.4 Ų | 107.4 | 36% | 0.356 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -63.9 | -45.3 | 176.6 | -72.8 | 166.5 | 0 | 0 | 0 | 112.5 | I1468 C1469 R1474 I1475 L1476 F1485 | I1468-L1472 HydrophobicContact CG2-CD1 3.85Å; I1468-L1472 HydrophobicContact CG2-CG 4.49Å; I1468-L1472 WeakPolarHBondContact O-CB 3.14Å; I1468-L1472 WeakPolarHBondContact O-CG 3.38Å; I1468-L1472 PolarHBondContact O-N 3.42Å; C1469-L1472 PolarHBondContact O-N 2.98Å; L1472-R1474 PolarHBondContact O-N 3.48Å; L1472-I1475 PolarHBondContact O-N 3.39Å; L1472-I1475 VanDerWaalsContact O-N 3.11Å; L1472-L1476 PolarHBondContact O-N 3.19Å; L1472-F1485 HydrophobicContact CD1-CZ 4.23Å |
| 1473 | H | 55.7 | Low | 47.6 | Very low | 148 Ų | 148 | 108.8 Ų | 108.8 | 69% | 0.685 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.5 | -28.7 | 174.9 | -101.1 | -67.1 | 0 | 0 | 0 | 113.2 | C1469 | C1469-H1473 WeakPolarHBondContact O-CB 3.35Å; C1469-H1473 PolarHBondContact O-N 3.41Å |
| 1474 | R | 53.2 | Low | 47.9 | Very low | 221 Ų | 221 | 113.9 Ų | 113.9 | 83% | 0.834 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -80 | -20.4 | 177.2 | -165 | 172.9 | -173.6 | 175.6 | 0.4 | 113.2 | N1470 L1471 L1472 | N1470-R1474 VanDerWaalsContact O-CB 3.28Å; N1470-R1474 WeakPolarHBondContact O-CB 3.45Å; N1470-R1474 PolarHBondContact O-N 2.9Å; N1470-R1474 VanDerWaalsContact O-N 3.08Å; L1471-R1474 PolarHBondContact O-N 3.05Å; L1472-R1474 PolarHBondContact O-N 3.48Å |
| 1475 | I | 52.1 | Low | 48.2 | Very low | 114 Ų | 114 | 111.7 Ų | 111.7 | 59% | 0.585 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -91.6 | -31 | 178 | -66.7 | 164.7 | 0 | 0 | 0 | 111.7 | L1471 L1472 P1477 | L1471-I1475 HydrophobicContact CG-CD1 4.14Å; L1471-I1475 WeakPolarHBondContact O-CD1 3.43Å; L1471-I1475 VanDerWaalsContact O-CG1 3.31Å; L1471-I1475 WeakPolarHBondContact O-CG1 3.17Å; L1471-I1475 PolarHBondContact O-N 3.46Å; L1471-I1475 VanDerWaalsContact O-N 3.17Å; L1472-I1475 PolarHBondContact O-N 3.39Å; L1472-I1475 VanDerWaalsContact O-N 3.11Å; I1475-P1477 WeakPolarHBondContact O-CD 3.29Å |
| 1476 | L | 44.9 | Very low | 49.5 | Very low | 91 Ų | 91 | 108.4 Ų | 108.4 | 48% | 0.476 | 57% | 0.565 | S | S | . | * | trans | -123 | 75.3 | -174.7 | -77.9 | 157.7 | 0 | 0 | 0 | 113.3 | L1472 S1478 | L1472-L1476 PolarHBondContact O-N 3.19Å; L1476-S1478 VanDerWaalsContact C-N 3.29Å; L1476-S1478 PolarHBondContact O-N 3.41Å | ||
| 1477 | P | 37.2 | Very low | 50.6 | Low | 120 Ų | 120 | 111.9 Ų | 111.9 | 78% | 0.779 | 58% | 0.58 | S | S | * | * | trans | -81 | 64.5 | 178.1 | 35.2 | -37 | 0 | 0 | 0 | 112.6 | I1475 | I1475-P1477 WeakPolarHBondContact O-CD 3.29Š| ||
| 1478 | S | 43.1 | Very low | 51.6 | Low | 72 Ų | 72 | 113.5 Ų | 113.5 | 50% | 0.503 | 58% | 0.582 | S | S | . | * | trans | -145.7 | 137.1 | 168.2 | 74.2 | 0 | 0 | 0 | 0 | 113.4 | L1476 N1480 S1481 | L1476-S1478 VanDerWaalsContact C-N 3.29Å; L1476-S1478 PolarHBondContact O-N 3.41Å; S1478-N1480 PolarHBondContact O-N 3.44Å; S1478-S1481 WeakPolarHBondContact O-CB 3.33Å; S1478-S1481 PolarHBondContact O-OG 3.33Å | ||
| 1479 | T | 43.2 | Very low | 52.6 | Low | 137 Ų | 137 | 113.1 Ų | 113.1 | 84% | 0.84 | 58% | 0.58 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82 | -9.2 | -167.3 | 40.9 | 0 | 0 | 0 | 0 | 115.3 | S1481 | T1479-S1481 VanDerWaalsContact C-N 3.34Š|
| 1480 | N | 46.2 | Very low | 54 | Low | 144 Ų | 144 | 113.6 Ų | 113.6 | 77% | 0.77 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.4 | 4.8 | 174.1 | -74.3 | -10.8 | 0 | 0 | 0 | 113.4 | S1478 Q1482 | S1478-N1480 PolarHBondContact O-N 3.44Å; N1480-Q1482 PolarHBondContact O-N 3.48Å |
| 1481 | S | 43.9 | Very low | 55.3 | Low | 39 Ų | 39 | 110.1 Ų | 110.1 | 27% | 0.273 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -71.7 | -21.7 | -171.2 | 52.8 | 0 | 0 | 0 | 0 | 115.1 | S1478 T1479 N1483 Y1484 F1485 | S1478-S1481 WeakPolarHBondContact O-CB 3.33Å; S1478-S1481 PolarHBondContact O-OG 3.33Å; T1479-S1481 VanDerWaalsContact C-N 3.34Å; S1481-N1483 PolarHBondContact O-N 2.82Å; S1481-Y1484 PolarHBondContact O-N 3.29Å; S1481-F1485 WeakPolarHBondContact O-CB 3.42Å; S1481-F1485 PolarHBondContact O-N 3.29Å |
| 1482 | Q | 47 | Very low | 56.4 | Low | 148 Ų | 148 | 111.8 Ų | 111.8 | 69% | 0.692 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -59.5 | -43.8 | -172.6 | -72.8 | -174.6 | -19.6 | 0 | 0 | 113.9 | N1480 F1485 I1486 | N1480-Q1482 PolarHBondContact O-N 3.48Å; Q1482-F1485 PolarHBondContact O-N 3.42Å; Q1482-I1486 WeakPolarHBondContact O-CG1 3.29Å; Q1482-I1486 PolarHBondContact O-N 3.33Å |
| 1483 | N | 46.3 | Very low | 58 | Low | 124 Ų | 124 | 112.9 Ų | 112.9 | 66% | 0.663 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -66.7 | -39.5 | 178.1 | -71.9 | -4.7 | 0 | 0 | 0 | 111.8 | S1481 F1485 I1486 L1487 | S1481-N1483 PolarHBondContact O-N 2.82Å; N1483-F1485 VanDerWaalsContact C-N 3.33Å; N1483-I1486 PolarHBondContact O-N 3.11Å; N1483-L1487 WeakPolarHBondContact O-CB 3.21Å; N1483-L1487 PolarHBondContact O-N 3.46Å |
| 1484 | Y | 50.9 | Low | 59.2 | Low | 178 Ų | 178 | 112.5 Ų | 112.5 | 70% | 0.698 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -65.1 | -36.4 | 173.2 | -96.7 | -84.3 | 0 | 0 | 0 | 112.2 | S1481 L1487 L1488 | S1481-Y1484 PolarHBondContact O-N 3.29Å; Y1484-L1487 PolarHBondContact O-N 2.96Å; Y1484-L1488 WeakPolarHBondContact O-CB 3.42Å; Y1484-L1488 PolarHBondContact O-N 3.4Å |
| 1485 | F | 51.5 | Low | 60.5 | Low | 92 Ų | 92 | 107 Ų | 107 | 40% | 0.404 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -70.5 | -38.4 | 178.9 | -162.1 | -109.8 | 0 | 0 | 0 | 111.9 | L1472 S1481 Q1482 N1483 L1488 I1489 | L1472-F1485 HydrophobicContact CD1-CZ 4.23Å; S1481-F1485 WeakPolarHBondContact O-CB 3.42Å; S1481-F1485 PolarHBondContact O-N 3.29Å; Q1482-F1485 PolarHBondContact O-N 3.42Å; N1483-F1485 VanDerWaalsContact C-N 3.33Å; F1485-L1488 PolarHBondContact O-N 3.11Å; F1485-I1489 HydrophobicContact CD1-CD1 3.66Å; F1485-I1489 HydrophobicContact CE1-CD1 3.41Å; F1485-I1489 VanDerWaalsContact CE1-CD1 3.41Å; F1485-I1489 HydrophobicContact CE1-CG1 4.45Å; F1485-I1489 HydrophobicContact CG-CD1 4.44Å; F1485-I1489 HydrophobicContact CZ-CD1 4Å; F1485-I1489 WeakPolarHBondContact O-CB 3.3Å; F1485-I1489 WeakPolarHBondContact O-CG1 3.33Å; F1485-I1489 PolarHBondContact O-N 3.41Å |
| 1486 | I | 69 | Low | 61.9 | Low | 110 Ų | 110 | 103.7 Ų | 103.7 | 56% | 0.564 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -63.8 | -44 | 170.7 | -67.6 | 165.6 | 0 | 0 | 0 | 110.4 | Q1482 N1483 I1489 S1490 | Q1482-I1486 WeakPolarHBondContact O-CG1 3.29Å; Q1482-I1486 PolarHBondContact O-N 3.33Å; N1483-I1486 PolarHBondContact O-N 3.11Å; I1486-I1489 PolarHBondContact O-N 3.23Å; I1486-S1490 WeakPolarHBondContact O-CB 3.46Å; I1486-S1490 PolarHBondContact O-N 3.04Å; I1486-S1490 PolarHBondContact O-OG 3.19Å; I1486-S1490 VanDerWaalsContact O-OG 3.11Å |
| 1487 | L | 68.5 | Low | 63.5 | Low | 118 Ų | 118 | 107.9 Ų | 107.9 | 62% | 0.618 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.9 | -45.2 | 174.6 | -103.2 | 161.1 | 0 | 0 | 0 | 112.2 | N1483 Y1484 S1490 G1491 | N1483-L1487 WeakPolarHBondContact O-CB 3.21Å; N1483-L1487 PolarHBondContact O-N 3.46Å; Y1484-L1487 PolarHBondContact O-N 2.96Å; L1487-S1490 WeakPolarHBondContact CA-OG 3.33Å; L1487-S1490 PolarHBondContact O-N 2.94Å; L1487-S1490 PolarHBondContact O-OG 3.37Å; L1487-G1491 PolarHBondContact O-N 3.08Å |
| 1488 | L | 71.1 | Confident | 65.5 | Low | 107 Ų | 107 | 105.7 Ų | 105.7 | 56% | 0.56 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -63.3 | -43.8 | 176.8 | -110.5 | 163.9 | 0 | 0 | 0 | 112.4 | Y1484 F1485 G1491 F1492 | Y1484-L1488 WeakPolarHBondContact O-CB 3.42Å; Y1484-L1488 PolarHBondContact O-N 3.4Å; F1485-L1488 PolarHBondContact O-N 3.11Å; L1488-G1491 PolarHBondContact O-N 2.92Å; L1488-F1492 HydrophobicContact CD2-CD2 4.31Å; L1488-F1492 WeakPolarHBondContact O-CB 3.31Å; L1488-F1492 PolarHBondContact O-N 3.43Å |
| 1489 | I | 75.4 | Confident | 67.1 | Low | 79 Ų | 79 | 105.2 Ų | 105.2 | 41% | 0.405 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -66.4 | -44.2 | 176.6 | -74.6 | 174.4 | 0 | 0 | 0 | 110.8 | F1485 I1486 G1491 F1492 I1493 | F1485-I1489 HydrophobicContact CD1-CD1 3.66Å; F1485-I1489 HydrophobicContact CE1-CD1 3.41Å; F1485-I1489 VanDerWaalsContact CE1-CD1 3.41Å; F1485-I1489 HydrophobicContact CE1-CG1 4.45Å; F1485-I1489 HydrophobicContact CG-CD1 4.44Å; F1485-I1489 HydrophobicContact CZ-CD1 4Å; F1485-I1489 WeakPolarHBondContact O-CB 3.3Å; F1485-I1489 WeakPolarHBondContact O-CG1 3.33Å; F1485-I1489 PolarHBondContact O-N 3.41Å; I1486-I1489 PolarHBondContact O-N 3.23Å; I1489-G1491 VanDerWaalsContact C-N 3.33Å; I1489-G1491 PolarHBondContact O-N 3.16Å; I1489-F1492 PolarHBondContact O-N 3.29Å; I1489-I1493 HydrophobicContact CG2-CD1 3.64Å; I1489-I1493 HydrophobicContact CG2-CG1 4.33Å; I1489-I1493 WeakPolarHBondContact O-CB 3.24Å; I1489-I1493 VanDerWaalsContact O-CG1 3.27Å; I1489-I1493 WeakPolarHBondContact O-CG1 3.49Å; I1489-I1493 PolarHBondContact O-N 3.22Å |
| 1490 | S | 76.3 | Confident | 68.6 | Low | 62 Ų | 62 | 102.6 Ų | 102.6 | 43% | 0.434 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -64.6 | -37.5 | 177.1 | 68.2 | 0 | 0 | 0 | 0 | 112.1 | I1486 L1487 I1493 F1494 | I1486-S1490 WeakPolarHBondContact O-CB 3.46Å; I1486-S1490 PolarHBondContact O-N 3.04Å; I1486-S1490 PolarHBondContact O-OG 3.19Å; I1486-S1490 VanDerWaalsContact O-OG 3.11Å; L1487-S1490 WeakPolarHBondContact CA-OG 3.33Å; L1487-S1490 PolarHBondContact O-N 2.94Å; L1487-S1490 PolarHBondContact O-OG 3.37Å; S1490-I1493 PolarHBondContact O-N 3.35Å; S1490-F1494 WeakPolarHBondContact O-CB 3.03Å; S1490-F1494 PolarHBondContact O-N 2.85Å |
| 1491 | G | 83.7 | Confident | 70.1 | Confident | 31 Ų | 31 | 102.1 Ų | 102.1 | 32% | 0.32 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.8 | -42.2 | 171.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L1487 L1488 I1489 F1494 L1495 | L1487-G1491 PolarHBondContact O-N 3.08Å; L1488-G1491 PolarHBondContact O-N 2.92Å; I1489-G1491 VanDerWaalsContact C-N 3.33Å; I1489-G1491 PolarHBondContact O-N 3.16Å; G1491-F1494 PolarHBondContact O-N 3.08Å; G1491-L1495 WeakPolarHBondContact O-CB 3.43Å; G1491-L1495 WeakPolarHBondContact O-CG 3.49Å; G1491-L1495 PolarHBondContact O-N 3.06Å |
| 1492 | F | 78.6 | Confident | 71.7 | Confident | 145 Ų | 145 | 104.3 Ų | 104.3 | 64% | 0.636 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -66.6 | -39.2 | 175 | -113.8 | -85.2 | 0 | 0 | 0 | 112.5 | L1488 I1489 L1495 A1496 | L1488-F1492 HydrophobicContact CD2-CD2 4.31Å; L1488-F1492 WeakPolarHBondContact O-CB 3.31Å; L1488-F1492 PolarHBondContact O-N 3.43Å; I1489-F1492 PolarHBondContact O-N 3.29Å; F1492-L1495 PolarHBondContact O-N 3.41Å; F1492-A1496 VanDerWaalsContact O-CB 3.25Å; F1492-A1496 WeakPolarHBondContact O-CB 3.46Å; F1492-A1496 PolarHBondContact O-N 3.49Å |
| 1493 | I | 80.8 | Confident | 73 | Confident | 90 Ų | 90 | 102.2 Ų | 102.2 | 46% | 0.462 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -65.6 | -42.1 | 174.2 | -70.7 | 169.2 | 0 | 0 | 0 | 110 | I1489 S1490 A1496 Y1497 | I1489-I1493 HydrophobicContact CG2-CD1 3.64Å; I1489-I1493 HydrophobicContact CG2-CG1 4.33Å; I1489-I1493 WeakPolarHBondContact O-CB 3.24Å; I1489-I1493 VanDerWaalsContact O-CG1 3.27Å; I1489-I1493 WeakPolarHBondContact O-CG1 3.49Å; I1489-I1493 PolarHBondContact O-N 3.22Å; S1490-I1493 PolarHBondContact O-N 3.35Å; I1493-A1496 PolarHBondContact O-N 3.32Å; I1493-Y1497 HydrophobicContact CG2-CD2 3.79Å; I1493-Y1497 HydrophobicContact CG2-CE2 3.99Å; I1493-Y1497 WeakPolarHBondContact O-CD2 3.44Å; I1493-Y1497 PolarHBondContact O-N 2.85Å |
| 1494 | F | 80.9 | Confident | 74.2 | Confident | 141 Ų | 141 | 98 Ų | 98 | 62% | 0.618 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -63.2 | -44.8 | 175.2 | -176.3 | -97.9 | 0 | 0 | 0 | 111.9 | S1490 G1491 A1496 Y1497 L1498 | S1490-F1494 WeakPolarHBondContact O-CB 3.03Å; S1490-F1494 PolarHBondContact O-N 2.85Å; G1491-F1494 PolarHBondContact O-N 3.08Å; F1494-A1496 VanDerWaalsContact C-N 3.33Å; F1494-A1496 PolarHBondContact O-N 2.78Å; F1494-Y1497 PolarHBondContact O-N 3.41Å; F1494-L1498 HydrophobicContact CE1-CD2 4.31Å; F1494-L1498 VanDerWaalsContact O-CB 3.24Å; F1494-L1498 WeakPolarHBondContact O-CB 3.44Å; F1494-L1498 PolarHBondContact O-N 3.15Å |
| 1495 | L | 80.9 | Confident | 74.9 | Confident | 104 Ų | 104 | 97 Ų | 97 | 55% | 0.545 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -64.6 | -34.9 | 174 | -75.7 | 166.2 | 0 | 0 | 0 | 112.5 | G1491 F1492 S1499 | G1491-L1495 WeakPolarHBondContact O-CB 3.43Å; G1491-L1495 WeakPolarHBondContact O-CG 3.49Å; G1491-L1495 PolarHBondContact O-N 3.06Å; F1492-L1495 PolarHBondContact O-N 3.41Å; L1495-S1499 VanDerWaalsContact O-CB 3.25Å; L1495-S1499 WeakPolarHBondContact O-CB 3.27Å; L1495-S1499 PolarHBondContact O-N 3.08Å; L1495-S1499 PolarHBondContact O-OG 3.09Å |
| 1496 | A | 79.7 | Confident | 75.3 | Confident | 46 Ų | 46 | 97.4 Ų | 97.4 | 38% | 0.38 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.3 | -44.8 | 173 | 0 | 0 | 0 | 0 | 0 | 111.6 | F1492 I1493 F1494 S1499 C1500 | F1492-A1496 VanDerWaalsContact O-CB 3.25Å; F1492-A1496 WeakPolarHBondContact O-CB 3.46Å; F1492-A1496 PolarHBondContact O-N 3.49Å; I1493-A1496 PolarHBondContact O-N 3.32Å; F1494-A1496 VanDerWaalsContact C-N 3.33Å; F1494-A1496 PolarHBondContact O-N 2.78Å; A1496-S1499 WeakPolarHBondContact CA-OG 3.44Å; A1496-S1499 PolarHBondContact O-OG 2.97Å; A1496-S1499 VanDerWaalsContact O-OG 3.14Å; A1496-C1500 WeakPolarHBondContact O-CB 3.32Å; A1496-C1500 PolarHBondContact O-N 3.19Å; A1496-C1500 PolarHBondContact O-SG 3.19Å |
| 1497 | Y | 79.3 | Confident | 74.8 | Confident | 179 Ų | 179 | 96.5 Ų | 96.5 | 70% | 0.702 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65.6 | -40.6 | 174.4 | -92.9 | -78.6 | 0 | 0 | 0 | 112.5 | I1493 F1494 C1500 Y1501 | I1493-Y1497 HydrophobicContact CG2-CD2 3.79Å; I1493-Y1497 HydrophobicContact CG2-CE2 3.99Å; I1493-Y1497 WeakPolarHBondContact O-CD2 3.44Å; I1493-Y1497 PolarHBondContact O-N 2.85Å; F1494-Y1497 PolarHBondContact O-N 3.41Å; Y1497-C1500 PolarHBondContact O-N 2.86Å; Y1497-Y1501 VanDerWaalsContact O-CB 3.28Å; Y1497-Y1501 WeakPolarHBondContact O-CB 3.44Å; Y1497-Y1501 PolarHBondContact O-N 3.05Å |
| 1498 | L | 78.9 | Confident | 73.9 | Confident | 74 Ų | 74 | 93.3 Ų | 93.3 | 39% | 0.387 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -66.7 | -44.8 | 177.7 | -175.6 | 64.2 | 0 | 0 | 0 | 111.2 | F1494 Y1501 I1502 | F1494-L1498 HydrophobicContact CE1-CD2 4.31Å; F1494-L1498 VanDerWaalsContact O-CB 3.24Å; F1494-L1498 WeakPolarHBondContact O-CB 3.44Å; F1494-L1498 PolarHBondContact O-N 3.15Å; L1498-Y1501 PolarHBondContact O-N 3.04Å; L1498-I1502 HydrophobicContact CD1-CD1 4.38Å; L1498-I1502 HydrophobicContact CG-CD1 4.08Å; L1498-I1502 WeakPolarHBondContact O-CB 3.49Å; L1498-I1502 VanDerWaalsContact O-CG1 3.26Å; L1498-I1502 WeakPolarHBondContact O-CG1 3.42Å; L1498-I1502 PolarHBondContact O-N 2.57Å |
| 1499 | S | 76.5 | Confident | 72.6 | Confident | 62 Ų | 62 | 92.4 Ų | 92.4 | 43% | 0.434 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -38.3 | 175.1 | 57 | 0 | 0 | 0 | 0 | 112.1 | L1495 A1496 I1502 L1503 | L1495-S1499 VanDerWaalsContact O-CB 3.25Å; L1495-S1499 WeakPolarHBondContact O-CB 3.27Å; L1495-S1499 PolarHBondContact O-N 3.08Å; L1495-S1499 PolarHBondContact O-OG 3.09Å; A1496-S1499 WeakPolarHBondContact CA-OG 3.44Å; A1496-S1499 PolarHBondContact O-OG 2.97Å; A1496-S1499 VanDerWaalsContact O-OG 3.14Å; S1499-I1502 PolarHBondContact O-N 3.37Å; S1499-L1503 WeakPolarHBondContact O-CB 3.43Å; S1499-L1503 PolarHBondContact O-N 3.08Å |
| 1500 | C | 74.8 | Confident | 71 | Confident | 82 Ų | 82 | 93.8 Ų | 93.8 | 55% | 0.554 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66 | -34.6 | 171.1 | -76.9 | 0 | 0 | 0 | 0 | 113.2 | A1496 Y1497 L1503 G1504 | A1496-C1500 WeakPolarHBondContact O-CB 3.32Å; A1496-C1500 PolarHBondContact O-N 3.19Å; A1496-C1500 PolarHBondContact O-SG 3.19Å; Y1497-C1500 PolarHBondContact O-N 2.86Å; C1500-L1503 PolarHBondContact O-N 3.1Å; C1500-G1504 PolarHBondContact O-N 3.17Å |
| 1501 | Y | 77.7 | Confident | 69.3 | Low | 133 Ų | 133 | 96.9 Ų | 96.9 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -68.1 | -43.1 | 173.8 | 176.8 | -105.4 | 0 | 0 | 0 | 111.4 | Y1497 L1498 G1504 R1505 | Y1497-Y1501 VanDerWaalsContact O-CB 3.28Å; Y1497-Y1501 WeakPolarHBondContact O-CB 3.44Å; Y1497-Y1501 PolarHBondContact O-N 3.05Å; L1498-Y1501 PolarHBondContact O-N 3.04Å; Y1501-G1504 PolarHBondContact O-N 3.19Å; Y1501-R1505 HydrophobicContact CE1-CG 4.3Å; Y1501-R1505 HydrophobicContact CE2-CG 4.33Å; Y1501-R1505 WeakPolarHBondContact O-CB 3.27Å; Y1501-R1505 WeakPolarHBondContact O-CG 3.47Å; Y1501-R1505 PolarHBondContact O-N 2.95Å; Y1501-R1505 PolarHBondContact OH-NE 2.81Å; Y1501-R1505 VanDerWaalsContact OH-NE 3.12Å; Y1501-R1505 PolarHBondContact OH-NH2 3.19Å |
| 1502 | I | 78.3 | Confident | 67.2 | Low | 86 Ų | 86 | 100.7 Ų | 100.7 | 44% | 0.441 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 173.1 | -69 | 164.9 | 0 | 0 | 0 | 110.5 | L1498 S1499 R1505 L1506 | L1498-I1502 HydrophobicContact CD1-CD1 4.38Å; L1498-I1502 HydrophobicContact CG-CD1 4.08Å; L1498-I1502 WeakPolarHBondContact O-CB 3.49Å; L1498-I1502 VanDerWaalsContact O-CG1 3.26Å; L1498-I1502 WeakPolarHBondContact O-CG1 3.42Å; L1498-I1502 PolarHBondContact O-N 2.57Å; S1499-I1502 PolarHBondContact O-N 3.37Å; I1502-R1505 PolarHBondContact O-N 3.22Å; I1502-L1506 HydrophobicContact CG2-CD1 3.88Å; I1502-L1506 WeakPolarHBondContact O-CB 3.3Å; I1502-L1506 VanDerWaalsContact O-CG 3.31Å; I1502-L1506 WeakPolarHBondContact O-CG 3.37Å; I1502-L1506 PolarHBondContact O-N 3.38Å |
| 1503 | L | 73.6 | Confident | 65 | Low | 103 Ų | 103 | 98.3 Ų | 98.3 | 54% | 0.539 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -63.9 | -40.2 | 174.8 | -126.3 | 73.5 | 0 | 0 | 0 | 111.8 | S1499 C1500 L1506 L1507 | S1499-L1503 WeakPolarHBondContact O-CB 3.43Å; S1499-L1503 PolarHBondContact O-N 3.08Å; C1500-L1503 PolarHBondContact O-N 3.1Å; L1503-L1506 PolarHBondContact O-N 3.2Å; L1503-L1507 VanDerWaalsContact O-CB 3.25Å; L1503-L1507 WeakPolarHBondContact O-CB 3.29Å; L1503-L1507 WeakPolarHBondContact O-CD1 3.43Å; L1503-L1507 WeakPolarHBondContact O-CG 3.38Å; L1503-L1507 PolarHBondContact O-N 2.87Å |
| 1504 | G | 72.3 | Confident | 62.8 | Low | 36 Ų | 36 | 104 Ų | 104 | 37% | 0.371 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -63.2 | -46.8 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112 | C1500 Y1501 L1507 A1508 | C1500-G1504 PolarHBondContact O-N 3.17Å; Y1501-G1504 PolarHBondContact O-N 3.19Å; G1504-L1507 PolarHBondContact O-N 3.26Å; G1504-A1508 WeakPolarHBondContact O-CB 3.36Å; G1504-A1508 PolarHBondContact O-N 3.41Å |
| 1505 | R | 65.8 | Low | 60.5 | Low | 158 Ų | 158 | 108.8 Ų | 108.8 | 60% | 0.596 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -60.3 | -44.1 | 171.7 | -74.6 | -76.2 | -170.6 | 168 | -0.4 | 111.6 | Y1501 I1502 A1508 C1509 | Y1501-R1505 HydrophobicContact CE1-CG 4.3Å; Y1501-R1505 HydrophobicContact CE2-CG 4.33Å; Y1501-R1505 WeakPolarHBondContact O-CB 3.27Å; Y1501-R1505 WeakPolarHBondContact O-CG 3.47Å; Y1501-R1505 PolarHBondContact O-N 2.95Å; Y1501-R1505 PolarHBondContact OH-NE 2.81Å; Y1501-R1505 VanDerWaalsContact OH-NE 3.12Å; Y1501-R1505 PolarHBondContact OH-NH2 3.19Å; I1502-R1505 PolarHBondContact O-N 3.22Å; R1505-A1508 PolarHBondContact O-N 3.44Å; R1505-C1509 PolarHBondContact O-N 2.96Å; R1505-C1509 PolarHBondContact O-SG 3.05Å |
| 1506 | L | 59.7 | Low | 58.2 | Low | 100 Ų | 100 | 109.3 Ų | 109.3 | 52% | 0.524 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -65 | -39.7 | 176.9 | -79.1 | 167.1 | 0 | 0 | 0 | 113 | I1502 L1503 C1509 N1510 | I1502-L1506 HydrophobicContact CG2-CD1 3.88Å; I1502-L1506 WeakPolarHBondContact O-CB 3.3Å; I1502-L1506 VanDerWaalsContact O-CG 3.31Å; I1502-L1506 WeakPolarHBondContact O-CG 3.37Å; I1502-L1506 PolarHBondContact O-N 3.38Å; L1503-L1506 PolarHBondContact O-N 3.2Å; L1506-C1509 PolarHBondContact O-N 3.42Å; L1506-N1510 WeakPolarHBondContact O-CB 3.47Å; L1506-N1510 PolarHBondContact O-N 3.41Å |
| 1507 | L | 58.9 | Low | 56.1 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 48% | 0.476 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -69.7 | -41.1 | 177.2 | -76 | 164.5 | 0 | 0 | 0 | 111.3 | L1503 G1504 C1509 N1510 N1511 | L1503-L1507 VanDerWaalsContact O-CB 3.25Å; L1503-L1507 WeakPolarHBondContact O-CB 3.29Å; L1503-L1507 WeakPolarHBondContact O-CD1 3.43Å; L1503-L1507 WeakPolarHBondContact O-CG 3.38Å; L1503-L1507 PolarHBondContact O-N 2.87Å; G1504-L1507 PolarHBondContact O-N 3.26Å; L1507-C1509 VanDerWaalsContact C-N 3.31Å; L1507-C1509 PolarHBondContact O-N 3.33Å; L1507-N1510 PolarHBondContact O-N 2.87Å; L1507-N1510 VanDerWaalsContact O-N 3.15Å; L1507-N1511 WeakPolarHBondContact O-CB 3.38Å; L1507-N1511 PolarHBondContact O-N 2.61Å; L1507-N1511 PolarHBondContact O-ND2 2.89Å; L1507-N1511 PolarHBondContact O-OD1 2.99Å |
| 1508 | A | 49.4 | Very low | 54 | Low | 50 Ų | 50 | 108.3 Ų | 108.3 | 41% | 0.413 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -57.5 | -44.1 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | G1504 R1505 Y1512 | G1504-A1508 WeakPolarHBondContact O-CB 3.36Å; G1504-A1508 PolarHBondContact O-N 3.41Å; R1505-A1508 PolarHBondContact O-N 3.44Å; A1508-Y1512 VanDerWaalsContact O-CD2 3.25Å; A1508-Y1512 WeakPolarHBondContact O-CD2 2.99Å |
| 1509 | C | 43.3 | Very low | 51.7 | Low | 88 Ų | 88 | 109.2 Ų | 109.2 | 60% | 0.595 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -65.6 | -36.4 | 174 | -68.7 | 0 | 0 | 0 | 0 | 113.5 | R1505 L1506 L1507 | R1505-C1509 PolarHBondContact O-N 2.96Å; R1505-C1509 PolarHBondContact O-SG 3.05Å; L1506-C1509 PolarHBondContact O-N 3.42Å; L1507-C1509 VanDerWaalsContact C-N 3.31Å; L1507-C1509 PolarHBondContact O-N 3.33Å |
| 1510 | N | 42.4 | Very low | 49.3 | Very low | 108 Ų | 108 | 113.3 Ų | 113.3 | 58% | 0.578 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -74 | -33.8 | 179.9 | -117.8 | -33.7 | 0 | 0 | 0 | 113.2 | L1506 L1507 Y1512 S1513 | L1506-N1510 WeakPolarHBondContact O-CB 3.47Å; L1506-N1510 PolarHBondContact O-N 3.41Å; L1507-N1510 PolarHBondContact O-N 2.87Å; L1507-N1510 VanDerWaalsContact O-N 3.15Å; N1510-Y1512 PolarHBondContact O-N 3.13Å; N1510-S1513 PolarHBondContact O-N 2.8Å |
| 1511 | N | 39.8 | Very low | 47.1 | Very low | 127 Ų | 127 | 115.3 Ų | 115.3 | 68% | 0.679 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -66.6 | -21 | -177 | -73.8 | -12.2 | 0 | 0 | 0 | 113.1 | L1507 S1513 | L1507-N1511 WeakPolarHBondContact O-CB 3.38Å; L1507-N1511 PolarHBondContact O-N 2.61Å; L1507-N1511 PolarHBondContact O-ND2 2.89Å; L1507-N1511 PolarHBondContact O-OD1 2.99Å; N1511-S1513 PolarHBondContact O-N 2.83Å |
| 1512 | Y | 38.8 | Very low | 44.9 | Very low | 112 Ų | 112 | 114.4 Ų | 114.4 | 44% | 0.439 | 62% | 0.62 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.8 | 6.2 | 174.2 | -74.9 | -61.4 | 0 | 0 | 0 | 115.1 | R110 A1508 N1510 | R110-Y1512 HydrophobicContact CG-CD1 3.8Å; R110-Y1512 HydrophobicContact CG-CE1 3.7Å; R110-Y1512 VanDerWaalsContact NE-CD1 3.27Å; A1508-Y1512 VanDerWaalsContact O-CD2 3.25Å; A1508-Y1512 WeakPolarHBondContact O-CD2 2.99Å; N1510-Y1512 PolarHBondContact O-N 3.13Å |
| 1513 | S | 33.8 | Very low | 42.5 | Very low | 94 Ų | 94 | 113.4 Ų | 113.4 | 66% | 0.657 | 62% | 0.621 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -147.1 | 54.9 | -178.1 | -81.4 | 0 | 0 | 0 | 0 | 115.8 | N1510 N1511 | N1510-S1513 PolarHBondContact O-N 2.8Å; N1511-S1513 PolarHBondContact O-N 2.83Å |
| 1514 | R | 35.3 | Very low | 40.5 | Very low | 209 Ų | 209 | 111 Ų | 111 | 79% | 0.789 | 61% | 0.612 | S | S | * | * | trans | -154.2 | 102.9 | 160.4 | -112.6 | 164.4 | -161.3 | -170.2 | 6.2 | 115.2 | ||||
| 1515 | R | 31.5 | Very low | 38.7 | Very low | 242 Ų | 242 | 117 Ų | 117 | 91% | 0.913 | 64% | 0.635 | S | S | * | * | P | Polyproline II helix | trans | -81.8 | 149.8 | 141.8 | -116.7 | -170.4 | 170.8 | 169.8 | -1.5 | 107.9 | ||
| 1516 | P | 32.1 | Very low | 37.1 | Very low | 115 Ų | 115 | 120.1 Ų | 120.1 | 75% | 0.747 | 65% | 0.647 | S | S | * | * | P | Polyproline II helix | trans | -79 | 141.2 | -168.1 | 30.9 | -34.2 | 0 | 0 | 0 | 112.7 | ||
| 1517 | P | 37.1 | Very low | 35.6 | Very low | 121 Ų | 121 | 119.1 Ų | 119.1 | 79% | 0.786 | 65% | 0.648 | S | S | * | * | P | Polyproline II helix | trans | -75.2 | 135.4 | 165.3 | 31.5 | -32.4 | 0 | 0 | 0 | 110.5 | ||
| 1518 | S | 34.3 | Very low | 34.3 | Very low | 83 Ų | 83 | 124.1 Ų | 124.1 | 58% | 0.58 | 67% | 0.666 | S | S | * | * | P | Polyproline II helix | trans | -76.9 | 132.7 | -177.2 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | ||
| 1519 | S | 29.6 | Very low | 33.5 | Very low | 93 Ų | 93 | 131.2 Ų | 131.2 | 65% | 0.65 | 69% | 0.688 | S | S | * | * | S | Bend | trans | 62.2 | 127.5 | 162.6 | 71.8 | 0 | 0 | 0 | 0 | 118.9 | ||
| 1520 | N | 27.5 | Very low | 32.8 | Very low | 148 Ų | 148 | 132.3 Ų | 132.3 | 79% | 0.791 | 70% | 0.696 | S | S | * | * | S | Bend | trans | 73.6 | 135.8 | 161.9 | -54.4 | -28.2 | 0 | 0 | 0 | 118.3 | ||
| 1521 | T | 28 | Very low | 32.2 | Very low | 125 Ų | 125 | 134.8 Ų | 134.8 | 77% | 0.767 | 71% | 0.709 | S | S | * | * | trans | 59.8 | 78.9 | 172.5 | 55.1 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 1522 | V | 32.2 | Very low | 31.8 | Very low | 114 Ų | 114 | 135.2 Ų | 135.2 | 69% | 0.691 | 71% | 0.711 | S | S | * | * | -154.6 | 88.1 | 126.5 | -178.5 | 0 | 0 | 0 | 0 | 109.3 | |||||
| 1523 | S | 27.4 | Very low | 31.5 | Very low | 65 Ų | 65 | 136.5 Ų | 136.5 | 46% | 0.455 | 73% | 0.726 | S | S | . | * | trans | -99.2 | 89.8 | 167.2 | 37.5 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1524 | S | 32.2 | Very low | 31.2 | Very low | 51 Ų | 51 | 138.8 Ų | 138.8 | 36% | 0.357 | 73% | 0.73 | S | S | . | * | S | Bend | trans | -162.7 | -40 | 173.1 | -8.6 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1525 | L | 34.9 | Very low | 31.1 | Very low | 164 Ų | 164 | 136.4 Ų | 136.4 | 86% | 0.859 | 73% | 0.733 | S | S | * | * | S | Bend | trans | -107.9 | 19.5 | -163.8 | -88.6 | 163.2 | 0 | 0 | 0 | 115.5 | ||
| 1526 | R | 30.1 | Very low | 31.2 | Very low | 222 Ų | 222 | 129.5 Ų | 129.5 | 84% | 0.838 | 72% | 0.722 | S | S | * | * | trans | -103.9 | 13.6 | -172.8 | -145.5 | -177.2 | -163.7 | 173.8 | 4.5 | 115.1 | ||||
| 1527 | C | 28.5 | Very low | 31.3 | Very low | 80 Ų | 80 | 131 Ų | 131 | 54% | 0.541 | 72% | 0.724 | S | S | . | * | trans | -114.2 | 45.8 | -162.3 | -59.7 | 0 | 0 | 0 | 0 | 114.8 | K1304 | K1304-C1527 VanDerWaalsContact CE-SG 3.52Å; K1304-C1527 PolarHBondContact NZ-SG 3.31Å | ||
| 1528 | F | 32.7 | Very low | 31.2 | Very low | 195 Ų | 195 | 131.6 Ų | 131.6 | 86% | 0.855 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -136.3 | -22 | 168.2 | -94.8 | -77.6 | 0 | 0 | 0 | 115.2 | ||
| 1529 | F | 31.8 | Very low | 31.2 | Very low | 200 Ų | 200 | 133.6 Ų | 133.6 | 88% | 0.877 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -142.8 | 90.8 | 176.3 | -68.9 | -79.4 | 0 | 0 | 0 | 111.4 | ||
| 1530 | S | 30 | Very low | 31.4 | Very low | 111 Ų | 111 | 136.8 Ų | 136.8 | 78% | 0.776 | 73% | 0.734 | S | S | * | * | trans | -173 | 100.5 | 164 | 178.8 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1531 | L | 28.7 | Very low | 31.7 | Very low | 159 Ų | 159 | 135.1 Ų | 135.1 | 83% | 0.832 | 73% | 0.725 | S | S | * | * | trans | -131.1 | 136.7 | 173.8 | -131.6 | 154.1 | 0 | 0 | 0 | 108.2 | ||||
| 1532 | N | 31.1 | Very low | 31.9 | Very low | 136 Ų | 136 | 136.2 Ų | 136.2 | 73% | 0.727 | 73% | 0.727 | S | S | * | * | S | Bend | trans | 79.2 | 130.2 | -179.7 | -61.4 | -15.2 | 0 | 0 | 0 | 119.5 | ||
| 1533 | N | 32.1 | Very low | 32 | Very low | 140 Ų | 140 | 135.3 Ų | 135.3 | 75% | 0.749 | 72% | 0.721 | S | S | * | * | trans | 85.4 | 66.8 | 148.5 | -59 | -1.2 | 0 | 0 | 0 | 121.2 | ||||
| 1534 | N | 28.5 | Very low | 32.2 | Very low | 142 Ų | 142 | 141.3 Ų | 141.3 | 76% | 0.759 | 74% | 0.742 | S | S | * | * | 36.3 | 143.2 | 112.4 | -56 | 1.2 | 0 | 0 | 0 | 122.6 | |||||
| 1535 | N | 33 | Very low | 32.1 | Very low | 158 Ų | 158 | 142.2 Ų | 142.2 | 85% | 0.845 | 76% | 0.759 | S | S | * | * | trans | 75.3 | 140.9 | 164.5 | -52.7 | -9.2 | 0 | 0 | 0 | 116.7 | ||||
| 1536 | S | 33.2 | Very low | 32 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 76% | 0.755 | S | S | * | * | cis | -165.8 | 151.7 | -16.2 | 47.2 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1537 | D | 35.3 | Very low | 31.9 | Very low | 147 Ų | 147 | 134.5 Ų | 134.5 | 79% | 0.786 | 75% | 0.754 | S | S | * | * | trans | 63.5 | 97.2 | 149.8 | -53.5 | -4.8 | 0 | 0 | 0 | 123.3 | ||||
| 1538 | D | 34.4 | Very low | 32.2 | Very low | 134 Ų | 134 | 136.8 Ų | 136.8 | 72% | 0.717 | 77% | 0.765 | S | S | * | * | 66.3 | 126 | 112.8 | -86.7 | 30.6 | 0 | 0 | 0 | 127.3 | |||||
| 1539 | N | 33.5 | Very low | 32.2 | Very low | 124 Ų | 124 | 137.5 Ų | 137.5 | 66% | 0.663 | 77% | 0.768 | S | S | * | * | trans | 69.2 | 112.2 | 137.8 | -58.2 | -34.4 | 0 | 0 | 0 | 123.2 | ||||
| 1540 | N | 33.5 | Very low | 32.3 | Very low | 161 Ų | 161 | 130.9 Ų | 130.9 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | -177.1 | 162.1 | 92.9 | -97.5 | -73.4 | 0 | 0 | 0 | 114.3 | |||||
| 1541 | D | 34.9 | Very low | 32.6 | Very low | 112 Ų | 112 | 137.3 Ų | 137.3 | 60% | 0.599 | 76% | 0.764 | S | S | * | * | trans | -91.6 | 157.2 | -169.6 | -69.5 | -63.5 | 0 | 0 | 0 | 116.6 | ||||
| 1542 | N | 32.3 | Very low | 32.8 | Very low | 149 Ų | 149 | 135.2 Ų | 135.2 | 80% | 0.797 | 76% | 0.761 | S | S | * | * | 169.2 | 97.4 | 109.6 | -90 | -72.3 | 0 | 0 | 0 | 115.6 | |||||
| 1543 | V | 34.4 | Very low | 33.1 | Very low | 95 Ų | 95 | 132.6 Ų | 132.6 | 58% | 0.576 | 75% | 0.752 | S | S | * | * | 29.3 | 125.4 | 112.1 | -177.1 | 0 | 0 | 0 | 0 | 116.7 | |||||
| 1544 | Q | 31.5 | Very low | 33.5 | Very low | 191 Ų | 191 | 132.5 Ų | 132.5 | 89% | 0.893 | 75% | 0.751 | S | S | * | * | cis | -175.9 | 158.7 | 47.8 | -148.1 | 150.7 | 33.9 | 0 | 0 | 115.6 | ||||
| 1545 | G | 30.1 | Very low | 34 | Very low | 70 Ų | 70 | 132.3 Ų | 132.3 | 72% | 0.722 | 75% | 0.745 | S | S | * | * | trans | 101.7 | 124.3 | 157.1 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 1546 | A | 31.4 | Very low | 34.2 | Very low | 93 Ų | 93 | 133.7 Ų | 133.7 | 77% | 0.769 | 74% | 0.738 | S | S | * | * | cis | 105 | 133.6 | 35.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1547 | T | 29.2 | Very low | 34.6 | Very low | 131 Ų | 131 | 134.6 Ų | 134.6 | 80% | 0.804 | 74% | 0.736 | S | S | * | * | cis | -169.2 | 125.3 | -7.9 | 24.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1548 | T | 34.7 | Very low | 34.7 | Very low | 127 Ų | 127 | 137 Ų | 137 | 78% | 0.779 | 73% | 0.734 | S | S | * | * | trans | -163.3 | 158 | 157.7 | 15 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1549 | F | 31.8 | Very low | 34.9 | Very low | 210 Ų | 210 | 135.3 Ų | 135.3 | 92% | 0.921 | 72% | 0.724 | S | S | * | * | trans | -135.5 | 122.9 | -175 | -102.4 | -92.2 | 0 | 0 | 0 | 112.1 | ||||
| 1550 | G | 34.3 | Very low | 35.1 | Very low | 62 Ų | 62 | 131.5 Ų | 131.5 | 64% | 0.639 | 71% | 0.707 | S | S | * | * | P | Polyproline II helix | trans | -82.6 | 165.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.3 | ||
| 1551 | R | 37.4 | Very low | 35.2 | Very low | 245 Ų | 245 | 130 Ų | 130 | 93% | 0.925 | 70% | 0.699 | S | S | * | * | P | Polyproline II helix | trans | -82.2 | 158.4 | 175 | -71.8 | 179.1 | 174 | 174 | -1.7 | 111.4 | ||
| 1552 | C | 33.2 | Very low | 35.5 | Very low | 115 Ų | 115 | 130.4 Ų | 130.4 | 78% | 0.777 | 70% | 0.7 | S | S | * | * | P | Polyproline II helix | trans | -93.4 | 132.4 | 172.7 | -166.1 | 0 | 0 | 0 | 0 | 110.1 | L1554 | C1552-L1554 PolarHBondContact O-N 3.06Š|
| 1553 | P | 36.1 | Very low | 35.9 | Very low | 81 Ų | 81 | 128.3 Ų | 128.3 | 53% | 0.526 | 69% | 0.688 | S | S | . | * | trans | -82.6 | 97 | -177.1 | 31.9 | -34.1 | 0 | 0 | 0 | 111.9 | ||||
| 1554 | L | 39.8 | Very low | 36.1 | Very low | 139 Ų | 139 | 129.6 Ų | 129.6 | 73% | 0.728 | 69% | 0.692 | S | S | * | * | trans | -146.4 | 97.7 | 166.7 | -103.9 | 165.4 | 0 | 0 | 0 | 108.5 | C1552 | C1552-L1554 PolarHBondContact O-N 3.06Š| ||
| 1555 | E | 40.5 | Very low | 36.2 | Very low | 137 Ų | 137 | 130.6 Ų | 130.6 | 64% | 0.64 | 69% | 0.689 | S | S | * | * | trans | -65.8 | 138.2 | 176.4 | -63.6 | 170.9 | 132.5 | 0 | 0 | 110.3 | D1557 | E1555-D1557 PolarHBondContact O-N 2.93Š| ||
| 1556 | R | 36 | Very low | 36.3 | Very low | 187 Ų | 187 | 132.7 Ų | 132.7 | 71% | 0.706 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.7 | -27.7 | 177.1 | -80.9 | 180 | 165.3 | 163.2 | -5.1 | 112.4 | R1558 L1559 S1560 | R1556-R1558 VanDerWaalsContact C-N 3.26Å; R1556-R1558 PolarHBondContact O-N 3.42Å; R1556-L1559 PolarHBondContact O-N 3.22Å; R1556-S1560 PolarHBondContact O-N 2.9Å |
| 1557 | D | 41.3 | Very low | 36.3 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 63% | 0.626 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -79.6 | -10.2 | -161 | -46.3 | -26.3 | 0 | 0 | 0 | 112.8 | E1555 S1560 N1561 | E1555-D1557 PolarHBondContact O-N 2.93Å; D1557-S1560 PolarHBondContact O-OG 2.79Å; D1557-S1560 VanDerWaalsContact O-OG 3.14Å; D1557-N1561 PolarHBondContact O-OD1 2.72Å |
| 1558 | R | 38.8 | Very low | 36.6 | Very low | 198 Ų | 198 | 134.1 Ų | 134.1 | 75% | 0.747 | 70% | 0.697 | S | S | * | * | H | α-helix | trans | -92.4 | -3 | 170.1 | -53.8 | -170 | 80.9 | 165.7 | 5.5 | 113.4 | R1556 | R1556-R1558 VanDerWaalsContact C-N 3.26Å; R1556-R1558 PolarHBondContact O-N 3.42Å |
| 1559 | L | 37.5 | Very low | 36.5 | Very low | 98 Ų | 98 | 132.9 Ų | 132.9 | 51% | 0.513 | 70% | 0.7 | S | S | . | * | H | α-helix | trans | -106.6 | -27.2 | 178.1 | -103.5 | 163 | 0 | 0 | 0 | 113.3 | R1556 I1563 | R1556-L1559 PolarHBondContact O-N 3.22Å; L1559-I1563 WeakPolarHBondContact O-CG1 3.29Å |
| 1560 | S | 37.4 | Very low | 36.8 | Very low | 44 Ų | 44 | 131.4 Ų | 131.4 | 31% | 0.308 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -57.6 | -48.3 | 167.2 | 41.7 | 0 | 0 | 0 | 0 | 111.5 | R1556 D1557 I1562 I1563 D1564 | R1556-S1560 PolarHBondContact O-N 2.9Å; D1557-S1560 PolarHBondContact O-OG 2.79Å; D1557-S1560 VanDerWaalsContact O-OG 3.14Å; S1560-I1562 PolarHBondContact O-N 2.83Å; S1560-I1563 PolarHBondContact O-N 3.09Å; S1560-D1564 PolarHBondContact O-N 2.78Å |
| 1561 | N | 37 | Very low | 37.3 | Very low | 129 Ų | 129 | 134.3 Ų | 134.3 | 69% | 0.69 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.1 | -1.4 | -173.1 | -59.3 | 12.3 | 0 | 0 | 0 | 114.4 | D1557 | D1557-N1561 PolarHBondContact O-OD1 2.72Š|
| 1562 | I | 40.3 | Very low | 37.1 | Very low | 120 Ų | 120 | 137 Ų | 137 | 62% | 0.615 | 72% | 0.715 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.9 | -14.2 | 174.3 | -64.8 | 175.2 | 0 | 0 | 0 | 111.2 | S1560 | S1560-I1562 PolarHBondContact O-N 2.83Š|
| 1563 | I | 41.1 | Very low | 37.3 | Very low | 105 Ų | 105 | 138.1 Ų | 138.1 | 54% | 0.538 | 71% | 0.712 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -113.4 | -22.9 | -168 | -63.5 | 176.4 | 0 | 0 | 0 | 112.7 | L1559 S1560 Y1565 | L1559-I1563 WeakPolarHBondContact O-CG1 3.29Å; S1560-I1563 PolarHBondContact O-N 3.09Å; I1563-Y1565 PolarHBondContact O-N 3.36Å |
| 1564 | D | 38.8 | Very low | 37.3 | Very low | 123 Ų | 123 | 141.1 Ų | 141.1 | 66% | 0.658 | 72% | 0.722 | S | S | * | * | trans | -73.7 | 31.7 | -178.2 | -71.2 | -37 | 0 | 0 | 0 | 115.4 | S1560 T1566 | S1560-D1564 PolarHBondContact O-N 2.78Å; D1564-T1566 PolarHBondContact O-N 3.41Å; D1564-T1566 VanDerWaalsContact O-N 3.11Å | ||
| 1565 | Y | 32.8 | Very low | 37.2 | Very low | 212 Ų | 212 | 141.2 Ų | 141.2 | 83% | 0.831 | 72% | 0.722 | S | S | * | * | trans | -79 | 80.7 | 169 | -86.9 | -80.9 | 0 | 0 | 0 | 111.3 | I1563 | I1563-Y1565 PolarHBondContact O-N 3.36Š| ||
| 1566 | T | 33.6 | Very low | 37 | Very low | 114 Ų | 114 | 141.4 Ų | 141.4 | 70% | 0.699 | 73% | 0.726 | S | S | * | * | trans | -134.6 | 119.2 | 171.7 | 55.5 | 0 | 0 | 0 | 0 | 114.5 | D1564 | D1564-T1566 PolarHBondContact O-N 3.41Å; D1564-T1566 VanDerWaalsContact O-N 3.11Å | ||
| 1567 | N | 30.8 | Very low | 37.1 | Very low | 170 Ų | 170 | 138.6 Ų | 138.6 | 91% | 0.909 | 73% | 0.728 | S | S | * | * | S | Bend | trans | 53.4 | 89 | 156.8 | -59.7 | -11.2 | 0 | 0 | 0 | 118.3 | ||
| 1568 | G | 34.4 | Very low | 36.8 | Very low | 83 Ų | 83 | 140 Ų | 140 | 86% | 0.856 | 74% | 0.735 | S | S | * | * | trans | 178.6 | -58.4 | 160.6 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 1569 | A | 33.1 | Very low | 36.6 | Very low | 102 Ų | 102 | 135.9 Ų | 135.9 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | P | Polyproline II helix | trans | -86.3 | 142.9 | -169.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | ||
| 1570 | Q | 38.8 | Very low | 36.6 | Very low | 178 Ų | 178 | 138.8 Ų | 138.8 | 83% | 0.832 | 75% | 0.751 | S | S | * | * | P | Polyproline II helix | trans | -79.5 | 144.7 | 162.4 | -73.1 | -175 | -36.8 | 0 | 0 | 110.1 | ||
| 1571 | P | 44.3 | Very low | 36.5 | Very low | 123 Ų | 123 | 146.7 Ų | 146.7 | 80% | 0.799 | 79% | 0.788 | S | S | * | * | P | Polyproline II helix | trans | -79.8 | 141.6 | 172.5 | 32.8 | -33.3 | 0 | 0 | 0 | 111.7 | ||
| 1572 | Y | 33.1 | Very low | 36.5 | Very low | 301 Ų | 301 | 148.3 Ų | 148.3 | 100% | 1.18 | 80% | 0.796 | S | S | * | * | trans | -118.8 | 0 | 155.8 | -102.3 | -79.1 | 0 | 0 | 0 | 108 |
Retrieved 1,572 of 1,572 residues in 1633.4 ms
(Link to these results)