| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.1 | Very low | 51.1 | Low | 240 Ų | 240 | 112 Ų | 112 | 100% | 1.182 | 66% | 0.656 | S | S | * | * | 0 | 100.6 | 0 | -80 | 171.4 | 155.8 | 0 | 0 | 107.8 | I3 | M1-I3 PolarHBondContact O-N 3.46Š| |||
| 2 | S | 31.5 | Very low | 53.7 | Low | 110 Ų | 110 | 110.6 Ų | 110.6 | 77% | 0.769 | 64% | 0.643 | S | S | * | * | trans | -75.6 | 105 | 176.7 | 50.9 | 0 | 0 | 0 | 0 | 108.9 | T4 | S2-T4 VanDerWaalsContact C-N 3.31Å; S2-T4 PolarHBondContact O-N 3.39Å | ||
| 3 | I | 39.1 | Very low | 56.2 | Low | 168 Ų | 168 | 111.2 Ų | 111.2 | 86% | 0.862 | 63% | 0.633 | S | S | * | * | trans | -67.1 | 96.2 | 165.4 | -61.4 | 169.5 | 0 | 0 | 0 | 105.7 | M1 G5 | M1-I3 PolarHBondContact O-N 3.46Å; I3-G5 VanDerWaalsContact C-N 3.34Å; I3-G5 PolarHBondContact O-N 3.48Å | ||
| 4 | T | 43.2 | Very low | 58.4 | Low | 125 Ų | 125 | 104.2 Ų | 104.2 | 77% | 0.767 | 60% | 0.595 | S | S | * | * | trans | -72 | 94.3 | 172.7 | 50.9 | 0 | 0 | 0 | 0 | 107.5 | S2 | S2-T4 VanDerWaalsContact C-N 3.31Å; S2-T4 PolarHBondContact O-N 3.39Å | ||
| 5 | G | 38.9 | Very low | 60.4 | Low | 47 Ų | 47 | 103.1 Ų | 103.1 | 49% | 0.485 | 58% | 0.581 | S | S | . | * | P | Polyproline II helix | trans | -54.8 | 162.3 | 162 | 0 | 0 | 0 | 0 | 0 | 110.8 | I3 S7 | I3-G5 VanDerWaalsContact C-N 3.34Å; I3-G5 PolarHBondContact O-N 3.48Å; G5-S7 PolarHBondContact O-N 3.04Å |
| 6 | P | 47.8 | Very low | 62.3 | Low | 95 Ų | 95 | 98.7 Ų | 98.7 | 62% | 0.617 | 57% | 0.565 | S | S | * | * | S | Bend | trans | -49.9 | 133.2 | -176.8 | 19.5 | -31.3 | 0 | 0 | 0 | 110.4 | C8 | P6-C8 PolarHBondContact O-N 3.35Š|
| 7 | S | 52.4 | Low | 64.1 | Low | 63 Ų | 63 | 95 Ų | 95 | 44% | 0.441 | 54% | 0.543 | S | S | . | . | P | Polyproline II helix | trans | -50.9 | 137.1 | -177.5 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | G5 E9 N10 L11 | G5-S7 PolarHBondContact O-N 3.04Å; S7-E9 PolarHBondContact O-N 3.07Å; S7-N10 PolarHBondContact O-N 3.11Å; S7-L11 PolarHBondContact O-N 2.76Å |
| 8 | C | 56.9 | Low | 65.7 | Low | 97 Ų | 97 | 91.3 Ų | 91.3 | 66% | 0.655 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -50.9 | -32.9 | -175.7 | -155.7 | 0 | 0 | 0 | 0 | 112.1 | P6 N10 L11 D12 | P6-C8 PolarHBondContact O-N 3.35Å; C8-N10 PolarHBondContact O-N 2.92Å; C8-L11 PolarHBondContact O-N 2.95Å; C8-D12 PolarHBondContact O-N 3.26Å |
| 9 | E | 68 | Low | 67.2 | Low | 133 Ų | 133 | 94.9 Ų | 94.9 | 62% | 0.621 | 52% | 0.523 | S | S | * | . | H | α-helix | trans | -60.7 | -40.1 | 174 | -65.2 | -170.2 | 178.9 | 0 | 0 | 114.6 | S7 L11 K13 | S7-E9 PolarHBondContact O-N 3.07Å; E9-L11 VanDerWaalsContact C-N 3.32Å; E9-K13 WeakPolarHBondContact O-CB 3.18Å; E9-K13 VanDerWaalsContact O-CG 3.3Å; E9-K13 WeakPolarHBondContact O-CG 3.41Å; E9-K13 PolarHBondContact O-N 2.97Å; E9-K13 VanDerWaalsContact O-N 3.08Å; E9-K13 IonicContact OE2-NZ 3.5Å |
| 10 | N | 72 | Confident | 68.7 | Low | 69 Ų | 69 | 92.2 Ų | 92.2 | 37% | 0.369 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -69 | -34.2 | 179.2 | -81.8 | -11.8 | 0 | 0 | 0 | 111.5 | S7 C8 S14 M63 | S7-N10 PolarHBondContact O-N 3.11Å; C8-N10 PolarHBondContact O-N 2.92Å; N10-S14 VanDerWaalsContact O-CB 3.28Å; N10-S14 WeakPolarHBondContact O-CB 3.3Å; N10-S14 PolarHBondContact O-N 3.28Å; N10-M63 WeakPolarHBondContact O-CE 3.08Å |
| 11 | L | 77.6 | Confident | 70 | Confident | 85 Ų | 85 | 87.8 Ų | 87.8 | 45% | 0.445 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.6 | -44.7 | 176.7 | -176.4 | 62.8 | 0 | 0 | 0 | 111.6 | S7 C8 E9 S14 K15 | S7-L11 PolarHBondContact O-N 2.76Å; C8-L11 PolarHBondContact O-N 2.95Å; E9-L11 VanDerWaalsContact C-N 3.32Å; L11-S14 PolarHBondContact O-N 3.47Å; L11-K15 HydrophobicContact CG-CD 4.5Å; L11-K15 WeakPolarHBondContact O-CG 3.29Å; L11-K15 PolarHBondContact O-N 3.23Å |
| 12 | D | 83 | Confident | 72.9 | Confident | 95 Ų | 95 | 80.7 Ų | 80.7 | 51% | 0.508 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -69.4 | -38.9 | 179.4 | -76.5 | -21.6 | 0 | 0 | 0 | 112.6 | C8 K15 G16 | C8-D12 PolarHBondContact O-N 3.26Å; D12-K15 PolarHBondContact O-N 3.18Å; D12-K15 IonicContact OD1-NZ 2.84Å; D12-G16 PolarHBondContact O-N 3.43Å |
| 13 | K | 86.1 | Confident | 76 | Confident | 118 Ų | 118 | 79.3 Ų | 79.3 | 51% | 0.513 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -59.6 | -46.5 | 170.8 | -74.2 | 171.7 | -175.1 | 165.9 | 0 | 111.3 | E9 G16 L17 M63 | E9-K13 WeakPolarHBondContact O-CB 3.18Å; E9-K13 VanDerWaalsContact O-CG 3.3Å; E9-K13 WeakPolarHBondContact O-CG 3.41Å; E9-K13 PolarHBondContact O-N 2.97Å; E9-K13 VanDerWaalsContact O-N 3.08Å; E9-K13 IonicContact OE2-NZ 3.5Å; K13-G16 PolarHBondContact O-N 3.07Å; K13-L17 WeakPolarHBondContact O-CG 3.18Å; K13-L17 PolarHBondContact O-N 3.12Å; K13-M63 HydrophobicContact CB-CE 3.69Å |
| 14 | S | 86.5 | Confident | 78.7 | Confident | 14 Ų | 14 | 72.2 Ų | 72.2 | 10% | 0.098 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -60.3 | -47.6 | 177.5 | 177.7 | 0 | 0 | 0 | 0 | 111.8 | N10 L11 G16 L17 W18 | N10-S14 VanDerWaalsContact O-CB 3.28Å; N10-S14 WeakPolarHBondContact O-CB 3.3Å; N10-S14 PolarHBondContact O-N 3.28Å; L11-S14 PolarHBondContact O-N 3.47Å; S14-G16 VanDerWaalsContact C-N 3.29Å; S14-G16 PolarHBondContact O-N 3.29Å; S14-L17 PolarHBondContact O-N 2.74Å; S14-W18 VanDerWaalsContact O-CD1 3.26Å; S14-W18 PolarHBondContact O-N 3.4Å |
| 15 | K | 88.2 | Confident | 81.2 | Confident | 88 Ų | 88 | 67.1 Ų | 67.1 | 38% | 0.383 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.4 | -41.4 | 174.6 | -72.7 | 171.5 | -175.8 | 165 | 0 | 112.1 | L11 D12 R19 | L11-K15 HydrophobicContact CG-CD 4.5Å; L11-K15 WeakPolarHBondContact O-CG 3.29Å; L11-K15 PolarHBondContact O-N 3.23Å; D12-K15 PolarHBondContact O-N 3.18Å; D12-K15 IonicContact OD1-NZ 2.84Å; K15-R19 WeakPolarHBondContact O-CG 3.48Å; K15-R19 PolarHBondContact O-N 3.33Å; K15-R19 VanDerWaalsContact O-N 3.07Å |
| 16 | G | 91.6 | Very high | 83.8 | Confident | 32 Ų | 32 | 72.2 Ų | 72.2 | 33% | 0.33 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | D12 K13 S14 R19 A20 | D12-G16 PolarHBondContact O-N 3.43Å; K13-G16 PolarHBondContact O-N 3.07Å; S14-G16 VanDerWaalsContact C-N 3.29Å; S14-G16 PolarHBondContact O-N 3.29Å; G16-R19 PolarHBondContact O-N 2.67Å; G16-A20 PolarHBondContact O-N 3.34Å; G16-A20 VanDerWaalsContact O-N 3.09Å |
| 17 | L | 92 | Very high | 86 | Confident | 36 Ų | 36 | 72.5 Ų | 72.5 | 19% | 0.188 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -64.8 | -41.5 | 177.9 | -68.1 | 173.7 | 0 | 0 | 0 | 112.3 | K13 S14 R19 A20 A21 L56 K59 L60 M63 | K13-L17 WeakPolarHBondContact O-CG 3.18Å; K13-L17 PolarHBondContact O-N 3.12Å; S14-L17 PolarHBondContact O-N 2.74Å; L17-R19 PolarHBondContact O-N 3.33Å; L17-A20 PolarHBondContact O-N 3.41Å; L17-A21 PolarHBondContact O-N 2.8Å; L17-L56 HydrophobicContact CD2-CD2 3.67Å; L17-K59 HydrophobicContact CD1-CB 4.42Å; L17-L60 HydrophobicContact CB-CD1 3.92Å; L17-L60 HydrophobicContact CB-CD2 3.61Å; L17-L60 HydrophobicContact CB-CG 3.62Å; L17-L60 HydrophobicContact CD1-CD2 4.01Å; L17-L60 HydrophobicContact CD1-CG 4.01Å; L17-L60 HydrophobicContact CG-CD2 4.47Å; L17-L60 HydrophobicContact CG-CG 4.48Å; L17-M63 HydrophobicContact CD1-SD 3.37Å; L17-M63 WeakPolarHBondContact CD1-SD 3.45Å |
| 18 | W | 93.6 | Very high | 87.8 | Confident | 28 Ų | 28 | 69.5 Ų | 69.5 | 11% | 0.106 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.8 | -47 | 174.8 | -85.8 | 115.9 | 0 | 0 | 0 | 111.8 | S14 A20 A21 Y22 L57 L60 N68 R71 T72 L75 | S14-W18 VanDerWaalsContact O-CD1 3.26Å; S14-W18 PolarHBondContact O-N 3.4Å; W18-A20 VanDerWaalsContact C-N 3.31Å; W18-A20 PolarHBondContact O-N 3.44Å; W18-A21 PolarHBondContact O-N 3.11Å; W18-Y22 HydrophobicContact CB-CE2 4.31Å; W18-Y22 HydrophobicContact CD2-CE2 4.48Å; W18-Y22 AromaticContact CE3-CE2 3.75Å; W18-Y22 HydrophobicContact CE3-CE2 3.75Å; W18-Y22 AromaticContact CE3-CZ 3.92Å; W18-Y22 WeakPolarHBondContact O-CD2 3.37Å; W18-Y22 PolarHBondContact O-N 2.96Å; W18-L57 HydrophobicContact CH2-CD2 4.39Å; W18-L57 HydrophobicContact CZ3-CD2 4.06Å; W18-L60 HydrophobicContact CD2-CD1 3.78Å; W18-L60 HydrophobicContact CD2-CD2 4.49Å; W18-L60 HydrophobicContact CE3-CD1 4.12Å; W18-L60 HydrophobicContact CG-CD1 4.04Å; W18-L60 HydrophobicContact CG-CD2 4.19Å; W18-L60 HydrophobicContact CZ2-CD1 4.33Å; W18-N68 PolarHBondContact NE1-OD1 3.48Å; W18-R71 HydrophobicContact CH2-CB 3.99Å; W18-R71 HydrophobicContact CH2-CG 3.58Å; W18-R71 HydrophobicContact CZ2-CB 4.33Å; W18-R71 HydrophobicContact CZ2-CG 4.23Å; W18-R71 HydrophobicContact CZ3-CG 4.28Å; W18-T72 HydrophobicContact CH2-CG2 3.73Å; W18-T72 HydrophobicContact CZ2-CG2 3.71Å; W18-L75 HydrophobicContact CH2-CD1 4.02Å; W18-L75 HydrophobicContact CZ3-CD1 3.5Å; W18-L75 VanDerWaalsContact CZ3-CD1 3.5Å |
| 19 | R | 95.2 | Very high | 89.5 | Confident | 160 Ų | 160 | 66.9 Ų | 66.9 | 60% | 0.604 | 33% | 0.327 | S | S | * | . | H | α-helix | trans | -58.1 | -44.2 | 175.7 | -70.2 | 177.4 | -163 | 115.6 | -4.9 | 111.5 | K15 G16 L17 Y22 V23 | K15-R19 WeakPolarHBondContact O-CG 3.48Å; K15-R19 PolarHBondContact O-N 3.33Å; K15-R19 VanDerWaalsContact O-N 3.07Å; G16-R19 PolarHBondContact O-N 2.67Å; L17-R19 PolarHBondContact O-N 3.33Å; R19-Y22 PolarHBondContact O-N 3.17Å; R19-V23 WeakPolarHBondContact O-CG2 3.49Å; R19-V23 PolarHBondContact O-N 3.35Å; R19-V23 VanDerWaalsContact O-N 3.08Å |
| 20 | A | 95.8 | Very high | 90.5 | Very high | 40 Ų | 40 | 64.7 Ų | 64.7 | 33% | 0.331 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.6 | -41.6 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | G16 L17 W18 V23 L24 L56 | G16-A20 PolarHBondContact O-N 3.34Å; G16-A20 VanDerWaalsContact O-N 3.09Å; L17-A20 PolarHBondContact O-N 3.41Å; W18-A20 VanDerWaalsContact C-N 3.31Å; W18-A20 PolarHBondContact O-N 3.44Å; A20-V23 PolarHBondContact O-N 3.38Å; A20-L24 WeakPolarHBondContact O-CG 3.3Å; A20-L24 PolarHBondContact O-N 3.1Å; A20-L24 VanDerWaalsContact O-N 3.1Å; A20-L56 HydrophobicContact CB-CD1 3.8Å |
| 21 | A | 95.6 | Very high | 91.2 | Very high | 0 Ų | 0 | 62.2 Ų | 62.2 | 0% | 0 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -61.2 | -46.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L17 W18 V23 L24 I25 L53 L57 | L17-A21 PolarHBondContact O-N 2.8Å; W18-A21 PolarHBondContact O-N 3.11Å; A21-V23 VanDerWaalsContact C-N 3.34Å; A21-V23 PolarHBondContact O-N 2.75Å; A21-L24 PolarHBondContact O-N 3.29Å; A21-L24 VanDerWaalsContact O-N 3.17Å; A21-I25 WeakPolarHBondContact O-CG1 3.09Å; A21-I25 PolarHBondContact O-N 2.68Å; A21-L53 HydrophobicContact CB-CD1 3.89Å; A21-L57 HydrophobicContact CB-CD2 3.97Å |
| 22 | Y | 95.9 | Very high | 91.6 | Very high | 92 Ų | 92 | 59.4 Ų | 59.4 | 36% | 0.361 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -63.3 | -37.6 | 177.5 | -72.2 | -60.9 | 0 | 0 | 0 | 113.4 | W18 R19 L24 I25 K26 R71 | W18-Y22 HydrophobicContact CB-CE2 4.31Å; W18-Y22 HydrophobicContact CD2-CE2 4.48Å; W18-Y22 AromaticContact CE3-CE2 3.75Å; W18-Y22 HydrophobicContact CE3-CE2 3.75Å; W18-Y22 AromaticContact CE3-CZ 3.92Å; W18-Y22 WeakPolarHBondContact O-CD2 3.37Å; W18-Y22 PolarHBondContact O-N 2.96Å; R19-Y22 PolarHBondContact O-N 3.17Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 3.27Å; Y22-I25 HydrophobicContact CD1-CD1 4.32Å; Y22-I25 PolarHBondContact O-N 3.2Å; Y22-K26 PolarHBondContact O-N 2.85Å; Y22-R71 PolarHBondContact OH-NE 3.09Å; Y22-R71 VanDerWaalsContact OH-NE 3.15Å; Y22-R71 PolarHBondContact OH-NH2 2.87Å |
| 23 | V | 97.1 | Very high | 91.5 | Very high | 80 Ų | 80 | 62.6 Ų | 62.6 | 49% | 0.485 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.5 | -41.6 | 174.6 | 170.5 | 0 | 0 | 0 | 0 | 110.9 | R19 A20 A21 K26 K27 | R19-V23 WeakPolarHBondContact O-CG2 3.49Å; R19-V23 PolarHBondContact O-N 3.35Å; R19-V23 VanDerWaalsContact O-N 3.08Å; A20-V23 PolarHBondContact O-N 3.38Å; A21-V23 VanDerWaalsContact C-N 3.34Å; A21-V23 PolarHBondContact O-N 2.75Å; V23-K26 PolarHBondContact O-N 3.09Å; V23-K27 HydrophobicContact CG1-CD 4.39Å; V23-K27 WeakPolarHBondContact O-CG 3.37Å; V23-K27 PolarHBondContact O-N 3.07Å |
| 24 | L | 95.8 | Very high | 90.8 | Very high | 20 Ų | 20 | 59.4 Ų | 59.4 | 11% | 0.105 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -66.4 | -40.4 | 176.2 | -71.4 | 174.5 | 0 | 0 | 0 | 112.5 | A20 A21 Y22 K26 K27 L28 R52 L53 L56 | A20-L24 WeakPolarHBondContact O-CG 3.3Å; A20-L24 PolarHBondContact O-N 3.1Å; A20-L24 VanDerWaalsContact O-N 3.1Å; A21-L24 PolarHBondContact O-N 3.29Å; A21-L24 VanDerWaalsContact O-N 3.17Å; Y22-L24 VanDerWaalsContact C-N 3.32Å; Y22-L24 PolarHBondContact O-N 3.27Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 2.62Å; L24-K27 PolarHBondContact O-N 2.86Å; L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 PolarHBondContact O-N 3.41Å; L24-R52 HydrophobicContact CD1-CB 3.96Å; L24-R52 HydrophobicContact CD1-CG 3.72Å; L24-L53 HydrophobicContact CB-CD1 4.35Å; L24-L53 HydrophobicContact CD1-CB 4.26Å; L24-L56 HydrophobicContact CD1-CD1 3.58Å |
| 25 | I | 95.1 | Very high | 89.7 | Confident | 17 Ų | 17 | 62.2 Ų | 62.2 | 9% | 0.087 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -59 | -47.5 | 174.9 | -67.9 | 166.8 | 0 | 0 | 0 | 109.9 | A21 Y22 K27 L28 D29 L53 L75 K79 | A21-I25 WeakPolarHBondContact O-CG1 3.09Å; A21-I25 PolarHBondContact O-N 2.68Å; Y22-I25 HydrophobicContact CD1-CD1 4.32Å; Y22-I25 PolarHBondContact O-N 3.2Å; I25-K27 VanDerWaalsContact C-N 3.32Å; I25-K27 PolarHBondContact O-N 2.94Å; I25-L28 WeakPolarHBondContact O-CB 3.45Å; I25-L28 PolarHBondContact O-N 2.68Å; I25-L28 VanDerWaalsContact O-N 3.15Å; I25-D29 VanDerWaalsContact O-CG 3.26Å; I25-D29 PolarHBondContact O-N 3.39Å; I25-L53 HydrophobicContact CD1-CD1 4.36Å; I25-L53 HydrophobicContact CG1-CD1 3.99Å; I25-L53 HydrophobicContact CG1-CD2 3.82Å; I25-L75 HydrophobicContact CD1-CD2 4.03Å; I25-K79 HydrophobicContact CD1-CG 4.41Å; I25-K79 HydrophobicContact CG1-CG 4.26Å; I25-K79 HydrophobicContact CG2-CD 4.16Å; I25-K79 HydrophobicContact CG2-CG 4.29Å |
| 26 | K | 94.4 | Very high | 88.5 | Confident | 155 Ų | 155 | 65.1 Ų | 65.1 | 67% | 0.674 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -60.1 | -41.7 | 177.3 | -173.5 | 176.1 | -179.6 | 178.1 | 0 | 112.2 | Y22 V23 L24 D29 T30 | Y22-K26 PolarHBondContact O-N 2.85Å; V23-K26 PolarHBondContact O-N 3.09Å; L24-K26 VanDerWaalsContact C-N 3.33Å; L24-K26 PolarHBondContact O-N 2.62Å; K26-D29 PolarHBondContact O-N 2.55Å; K26-T30 WeakPolarHBondContact O-CG2 3.48Å; K26-T30 PolarHBondContact O-N 2.79Å; K26-T30 PolarHBondContact O-OG1 3.16Å |
| 27 | K | 92.8 | Very high | 87.2 | Confident | 100 Ų | 100 | 65.2 Ų | 65.2 | 44% | 0.435 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 175.1 | -72.8 | 178.5 | 177.9 | -173.7 | 0 | 111.5 | V23 L24 I25 D29 T30 V31 | V23-K27 HydrophobicContact CG1-CD 4.39Å; V23-K27 WeakPolarHBondContact O-CG 3.37Å; V23-K27 PolarHBondContact O-N 3.07Å; L24-K27 PolarHBondContact O-N 2.86Å; I25-K27 VanDerWaalsContact C-N 3.32Å; I25-K27 PolarHBondContact O-N 2.94Å; K27-D29 VanDerWaalsContact C-N 3.35Å; K27-D29 PolarHBondContact O-N 3.16Å; K27-T30 WeakPolarHBondContact CA-OG1 3.29Å; K27-T30 PolarHBondContact O-N 2.89Å; K27-T30 PolarHBondContact O-OG1 3.17Å; K27-V31 WeakPolarHBondContact O-CG2 3.4Å; K27-V31 PolarHBondContact O-N 3.03Å; K27-V31 VanDerWaalsContact O-N 3.08Å |
| 28 | L | 91.7 | Very high | 85.6 | Confident | 0 Ų | 0 | 64.9 Ų | 64.9 | 0% | 0 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -61.2 | -45.3 | 177.2 | -169.5 | 67.1 | 0 | 0 | 0 | 111.3 | L24 I25 T30 V31 Y32 A46 H49 R50 K79 | L24-L28 WeakPolarHBondContact O-CB 3.42Å; L24-L28 PolarHBondContact O-N 3.41Å; I25-L28 WeakPolarHBondContact O-CB 3.45Å; I25-L28 PolarHBondContact O-N 2.68Å; I25-L28 VanDerWaalsContact O-N 3.15Å; L28-T30 VanDerWaalsContact C-N 3.32Å; L28-T30 PolarHBondContact O-N 3.43Å; L28-V31 WeakPolarHBondContact O-CB 3.31Å; L28-V31 PolarHBondContact O-N 2.9Å; L28-V31 VanDerWaalsContact O-N 3.12Å; L28-Y32 HydrophobicContact CD1-CE1 3.98Å; L28-Y32 HydrophobicContact CD1-CE2 4.19Å; L28-Y32 HydrophobicContact CD2-CE2 3.92Å; L28-Y32 HydrophobicContact CG-CD2 4.31Å; L28-Y32 HydrophobicContact CG-CE1 4.28Å; L28-Y32 HydrophobicContact CG-CE2 3.62Å; L28-Y32 PolarHBondContact O-N 3.04Å; L28-A46 HydrophobicContact CD1-CB 4.09Å; L28-H49 HydrophobicContact CD1-CB 4.07Å; L28-R50 HydrophobicContact CD1-CG 3.88Å; L28-R50 HydrophobicContact CD2-CG 3.77Å; L28-K79 WeakPolarHBondContact CD2-O 3.42Å |
| 29 | D | 90.7 | Very high | 84.3 | Confident | 43 Ų | 43 | 71.8 Ų | 71.8 | 23% | 0.23 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -58.4 | -44.8 | 175 | -67 | -23.4 | 0 | 0 | 0 | 110.4 | I25 K26 K27 V31 Y32 H33 K79 | I25-D29 VanDerWaalsContact O-CG 3.26Å; I25-D29 PolarHBondContact O-N 3.39Å; K26-D29 PolarHBondContact O-N 2.55Å; K27-D29 VanDerWaalsContact C-N 3.35Å; K27-D29 PolarHBondContact O-N 3.16Å; D29-V31 VanDerWaalsContact C-N 3.28Å; D29-V31 PolarHBondContact O-N 3.22Å; D29-Y32 PolarHBondContact O-N 3.02Å; D29-Y32 VanDerWaalsContact O-N 3.13Å; D29-H33 PolarHBondContact O-N 3.2Å; D29-H33 PolarHBondContact O-ND1 3.47Å; D29-K79 IonicContact OD1-NZ 2.7Å; D29-K79 PolarHBondContact OD1-NZ 2.75Å; D29-K79 IonicContact OD2-NZ 3.27Å |
| 30 | T | 88.9 | Confident | 83.5 | Confident | 87 Ų | 87 | 65.2 Ų | 65.2 | 53% | 0.534 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -60.4 | -36 | 177.3 | 54.4 | 0 | 0 | 0 | 0 | 113.2 | K26 K27 L28 H33 | K26-T30 WeakPolarHBondContact O-CG2 3.48Å; K26-T30 PolarHBondContact O-N 2.79Å; K26-T30 PolarHBondContact O-OG1 3.16Å; K27-T30 WeakPolarHBondContact CA-OG1 3.29Å; K27-T30 PolarHBondContact O-N 2.89Å; K27-T30 PolarHBondContact O-OG1 3.17Å; L28-T30 VanDerWaalsContact C-N 3.32Å; L28-T30 PolarHBondContact O-N 3.43Å; T30-H33 PolarHBondContact O-N 3.33Å |
| 31 | V | 87.1 | Confident | 83 | Confident | 16 Ų | 16 | 63.3 Ų | 63.3 | 10% | 0.097 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -66.5 | -41.4 | 175.7 | 176.2 | 0 | 0 | 0 | 0 | 110.8 | K27 L28 D29 G34 T40 E45 A46 | K27-V31 WeakPolarHBondContact O-CG2 3.4Å; K27-V31 PolarHBondContact O-N 3.03Å; K27-V31 VanDerWaalsContact O-N 3.08Å; L28-V31 WeakPolarHBondContact O-CB 3.31Å; L28-V31 PolarHBondContact O-N 2.9Å; L28-V31 VanDerWaalsContact O-N 3.12Å; D29-V31 VanDerWaalsContact C-N 3.28Å; D29-V31 PolarHBondContact O-N 3.22Å; V31-G34 PolarHBondContact O-N 3.37Å; V31-T40 WeakPolarHBondContact O-CB 3.29Å; V31-E45 HydrophobicContact CG2-CG 4.13Å; V31-A46 HydrophobicContact CG1-CB 4Å |
| 32 | Y | 85.8 | Confident | 82.7 | Confident | 26 Ų | 26 | 65.5 Ų | 65.5 | 10% | 0.102 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -68.6 | -34.1 | 178.8 | -62.9 | -20 | 0 | 0 | 0 | 113.2 | L28 D29 G34 V41 A46 E83 L87 | L28-Y32 HydrophobicContact CD1-CE1 3.98Å; L28-Y32 HydrophobicContact CD1-CE2 4.19Å; L28-Y32 HydrophobicContact CD2-CE2 3.92Å; L28-Y32 HydrophobicContact CG-CD2 4.31Å; L28-Y32 HydrophobicContact CG-CE1 4.28Å; L28-Y32 HydrophobicContact CG-CE2 3.62Å; L28-Y32 PolarHBondContact O-N 3.04Å; D29-Y32 PolarHBondContact O-N 3.02Å; D29-Y32 VanDerWaalsContact O-N 3.13Å; Y32-G34 PolarHBondContact O-N 3.36Å; Y32-V41 HydrophobicContact CD1-CG2 4.3Å; Y32-V41 HydrophobicContact CE1-CG2 4.3Å; Y32-A46 HydrophobicContact CE1-CB 4.29Å; Y32-E83 HydrophobicContact CD2-CG 4.19Å; Y32-E83 HydrophobicContact CE2-CG 3.78Å; Y32-E83 WeakPolarHBondContact CE2-OE2 3.33Å; Y32-L87 HydrophobicContact CD1-CD1 4.05Å; Y32-L87 HydrophobicContact CD2-CD1 3.88Å; Y32-L87 HydrophobicContact CE1-CD1 4.31Å; Y32-L87 HydrophobicContact CE2-CD1 4.14Å; Y32-L87 HydrophobicContact CG-CD1 3.82Å |
| 33 | H | 81.7 | Confident | 82.4 | Confident | 162 Ų | 162 | 62.4 Ų | 62.4 | 75% | 0.75 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.9 | -10.2 | 176.1 | -72.8 | 81.6 | 0 | 0 | 0 | 113.8 | D29 T30 G35 | D29-H33 PolarHBondContact O-N 3.2Å; D29-H33 PolarHBondContact O-ND1 3.47Å; T30-H33 PolarHBondContact O-N 3.33Å; H33-G35 PolarHBondContact O-N 3.2Å |
| 34 | G | 71.5 | Confident | 81.9 | Confident | 52 Ų | 52 | 68.5 Ų | 68.5 | 54% | 0.536 | 36% | 0.355 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | 2.4 | -179.5 | 0 | 0 | 0 | 0 | 0 | 116.6 | V31 Y32 K36 | V31-G34 PolarHBondContact O-N 3.37Å; Y32-G34 PolarHBondContact O-N 3.36Å; G34-K36 VanDerWaalsContact C-N 3.28Å; G34-K36 PolarHBondContact O-N 3.03Å; G34-K36 VanDerWaalsContact O-N 3.14Å |
| 35 | G | 63.5 | Low | 81.7 | Confident | 72 Ų | 72 | 72.9 Ų | 72.9 | 74% | 0.742 | 38% | 0.375 | S | S | * | . | S | Bend | trans | 75.2 | -2.1 | 167 | 0 | 0 | 0 | 0 | 0 | 117.1 | H33 | H33-G35 PolarHBondContact O-N 3.2Š|
| 36 | K | 63.5 | Low | 81.5 | Confident | 150 Ų | 150 | 72 Ų | 72 | 65% | 0.652 | 37% | 0.371 | S | S | * | . | trans | -113.9 | 64.1 | 177.6 | -67.5 | 179.2 | -177.8 | 171 | 0 | 111.7 | G34 I38 K39 T40 | G34-K36 VanDerWaalsContact C-N 3.28Å; G34-K36 PolarHBondContact O-N 3.03Å; G34-K36 VanDerWaalsContact O-N 3.14Å; K36-I38 PolarHBondContact O-N 2.92Å; K36-K39 HydrophobicContact CB-CB 4.49Å; K36-K39 PolarHBondContact O-N 3.41Å; K36-T40 HydrophobicContact CB-CG2 4.11Å; K36-T40 WeakPolarHBondContact O-CG2 3.31Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 PolarHBondContact O-OG1 3.07Å; K36-T40 VanDerWaalsContact O-OG1 3.08Å | ||
| 37 | A | 63.2 | Low | 81.4 | Confident | 33 Ų | 33 | 70.3 Ų | 70.3 | 27% | 0.273 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -38.7 | -52.5 | -169.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | K39 T40 V41 Y91 | A37-K39 PolarHBondContact O-N 2.96Å; A37-T40 WeakPolarHBondContact CA-OG1 3.4Å; A37-T40 PolarHBondContact O-N 2.95Å; A37-T40 PolarHBondContact O-OG1 2.77Å; A37-V41 WeakPolarHBondContact O-CB 3.23Å; A37-V41 WeakPolarHBondContact O-CG2 3.36Å; A37-V41 PolarHBondContact O-N 2.91Å; A37-Y91 HydrophobicContact CB-CD2 3.79Å; A37-Y91 HydrophobicContact CB-CE2 4.45Å |
| 38 | I | 58.9 | Low | 81.4 | Confident | 30 Ų | 30 | 66.9 Ų | 66.9 | 15% | 0.154 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.9 | -49.1 | -179.7 | -52.8 | -148.3 | 0 | 0 | 0 | 111.9 | K36 T40 Y91 R100 F104 M107 | K36-I38 PolarHBondContact O-N 2.92Å; I38-T40 VanDerWaalsContact C-N 3.31Å; I38-T40 PolarHBondContact O-N 2.59Å; I38-Y91 HydrophobicContact CD1-CE1 3.66Å; I38-Y91 HydrophobicContact CD1-CE2 4Å; I38-Y91 VanDerWaalsContact CD1-OH 3.24Å; I38-Y91 WeakPolarHBondContact CD1-OH 3.31Å; I38-Y91 HydrophobicContact CG1-CD2 4.21Å; I38-Y91 HydrophobicContact CG1-CE1 3.98Å; I38-Y91 HydrophobicContact CG1-CE2 3.51Å; I38-Y91 VanDerWaalsContact CG1-CZ 3.43Å; I38-R100 HydrophobicContact CD1-CB 3.86Å; I38-R100 WeakPolarHBondContact CD1-O 3.3Å; I38-F104 HydrophobicContact CB-CD2 4.22Å; I38-F104 HydrophobicContact CD1-CB 4.47Å; I38-F104 HydrophobicContact CD1-CD2 4.17Å; I38-F104 HydrophobicContact CG1-CD2 3.81Å; I38-F104 HydrophobicContact CG1-CE2 4.41Å; I38-F104 HydrophobicContact CG2-CD2 4.36Å; I38-M107 HydrophobicContact CG2-CE 3.77Å |
| 39 | K | 67 | Low | 81.6 | Confident | 173 Ų | 173 | 68.3 Ų | 68.3 | 75% | 0.752 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -77.8 | -19.5 | -174.2 | -68.7 | -169.3 | 177 | -171.3 | 0 | 112.4 | K36 A37 S43 | K36-K39 HydrophobicContact CB-CB 4.49Å; K36-K39 PolarHBondContact O-N 3.41Å; A37-K39 PolarHBondContact O-N 2.96Å; K39-S43 WeakPolarHBondContact O-CB 3.41Å |
| 40 | T | 76.9 | Confident | 81.8 | Confident | 21 Ų | 21 | 66.5 Ų | 66.5 | 13% | 0.129 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -93.4 | -40.4 | -177.9 | 55.9 | 0 | 0 | 0 | 0 | 112.8 | V31 K36 A37 I38 F42 S43 A46 | V31-T40 WeakPolarHBondContact O-CB 3.29Å; K36-T40 HydrophobicContact CB-CG2 4.11Å; K36-T40 WeakPolarHBondContact O-CG2 3.31Å; K36-T40 PolarHBondContact O-N 3.47Å; K36-T40 PolarHBondContact O-OG1 3.07Å; K36-T40 VanDerWaalsContact O-OG1 3.08Å; A37-T40 WeakPolarHBondContact CA-OG1 3.4Å; A37-T40 PolarHBondContact O-N 2.95Å; A37-T40 PolarHBondContact O-OG1 2.77Å; I38-T40 VanDerWaalsContact C-N 3.31Å; I38-T40 PolarHBondContact O-N 2.59Å; T40-F42 PolarHBondContact O-N 3.43Å; T40-S43 WeakPolarHBondContact O-CB 3.48Å; T40-S43 PolarHBondContact O-N 3.27Å; T40-S43 PolarHBondContact O-OG 3.4Å; T40-S43 VanDerWaalsContact O-OG 3.1Å; T40-A46 VanDerWaalsContact O-CB 3.27Å; T40-A46 WeakPolarHBondContact O-CB 3.49Å |
| 41 | V | 86.2 | Confident | 82 | Confident | 1 Ų | 1 | 65.4 Ų | 65.4 | 1% | 0.006 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -64.8 | -44.6 | -174 | 173.2 | 0 | 0 | 0 | 0 | 112.2 | Y32 A37 A46 R50 P84 L87 F104 | Y32-V41 HydrophobicContact CD1-CG2 4.3Å; Y32-V41 HydrophobicContact CE1-CG2 4.3Å; A37-V41 WeakPolarHBondContact O-CB 3.23Å; A37-V41 WeakPolarHBondContact O-CG2 3.36Å; A37-V41 PolarHBondContact O-N 2.91Å; V41-A46 WeakPolarHBondContact O-CB 3.42Å; V41-R50 PolarHBondContact O-NH2 3.01Å; V41-P84 HydrophobicContact CG1-CB 3.99Å; V41-L87 HydrophobicContact CG2-CB 4.23Å; V41-L87 HydrophobicContact CG2-CD1 3.6Å; V41-F104 HydrophobicContact CB-CZ 4.26Å; V41-F104 HydrophobicContact CG1-CZ 4.21Å; V41-F104 HydrophobicContact CG2-CZ 4.37Å |
| 42 | F | 89.4 | Confident | 82.4 | Confident | 46 Ų | 46 | 70.4 Ų | 70.4 | 20% | 0.202 | 36% | 0.359 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -104.4 | 23.9 | 177.9 | -57.6 | -71.1 | 0 | 0 | 0 | 112.6 | T40 F104 M107 L108 H111 | T40-F42 PolarHBondContact O-N 3.43Å; F42-F104 AromaticContact CE2-CD1 3.99Å; F42-F104 HydrophobicContact CE2-CD1 3.99Å; F42-F104 AromaticContact CE2-CE1 3.55Å; F42-F104 HydrophobicContact CE2-CE1 3.55Å; F42-F104 HydrophobicContact CE2-CE2 4.36Å; F42-F104 AromaticContact CE2-CZ 3.79Å; F42-F104 HydrophobicContact CE2-CZ 3.79Å; F42-F104 HydrophobicContact CZ-CE1 4.15Å; F42-M107 HydrophobicContact CB-SD 4.05Å; F42-M107 HydrophobicContact CD1-CB 4.49Å; F42-M107 HydrophobicContact CD2-CB 3.68Å; F42-M107 HydrophobicContact CD2-CE 3.94Å; F42-M107 HydrophobicContact CD2-CG 4.48Å; F42-M107 HydrophobicContact CD2-SD 4.06Å; F42-M107 HydrophobicContact CE2-CB 3.76Å; F42-M107 HydrophobicContact CG-CB 4.06Å; F42-M107 HydrophobicContact CG-SD 4.29Å; F42-M107 HydrophobicContact CZ-CB 4.24Å; F42-L108 HydrophobicContact CE2-CB 4.45Å; F42-L108 HydrophobicContact CZ-CB 3.97Å; F42-L108 HydrophobicContact CZ-CD1 4.05Å; F42-H111 HydrophobicContact CE1-CB 3.72Å; F42-H111 HydrophobicContact CZ-CB 4.39Å |
| 43 | S | 88.4 | Confident | 82.8 | Confident | 26 Ų | 26 | 69.2 Ų | 69.2 | 18% | 0.182 | 35% | 0.354 | C | S | . | . | S | Bend | trans | -62 | 152.2 | 170 | 75 | 0 | 0 | 0 | 0 | 110.1 | K39 T40 E45 A46 Y47 | K39-S43 WeakPolarHBondContact O-CB 3.41Å; T40-S43 WeakPolarHBondContact O-CB 3.48Å; T40-S43 PolarHBondContact O-N 3.27Å; T40-S43 PolarHBondContact O-OG 3.4Å; T40-S43 VanDerWaalsContact O-OG 3.1Å; S43-E45 PolarHBondContact O-N 3.38Å; S43-A46 PolarHBondContact O-N 3.18Å; S43-A46 WeakPolarHBondContact OG-CB 3.4Å; S43-A46 PolarHBondContact OG-N 2.81Å; S43-Y47 WeakPolarHBondContact O-CB 3.18Å; S43-Y47 PolarHBondContact O-N 2.93Å |
| 44 | Y | 88.2 | Confident | 83.4 | Confident | 208 Ų | 208 | 62.7 Ų | 62.7 | 82% | 0.816 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -54.3 | -37.3 | 174.3 | -178.3 | -97.6 | 0 | 0 | 0 | 111.8 | G48 | Y44-G48 PolarHBondContact O-N 3.37Å |
| 45 | E | 90.2 | Very high | 84.4 | Confident | 112 Ų | 112 | 63.8 Ų | 63.8 | 52% | 0.523 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.7 | -50.6 | 176.4 | -175.3 | 176.9 | -163.1 | 0 | 0 | 112.3 | V31 S43 Y47 G48 H49 | V31-E45 HydrophobicContact CG2-CG 4.13Å; S43-E45 PolarHBondContact O-N 3.38Å; E45-Y47 VanDerWaalsContact C-N 3.34Å; E45-Y47 PolarHBondContact O-N 2.78Å; E45-G48 PolarHBondContact O-N 2.72Å; E45-H49 VanDerWaalsContact O-CG 3.3Å; E45-H49 PolarHBondContact O-N 2.81Å; E45-H49 IonicContact OE1-NE2 3.85Å |
| 46 | A | 91.8 | Very high | 85.9 | Confident | 0 Ų | 0 | 61 Ų | 61 | 0% | 0 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L28 V31 Y32 T40 V41 S43 R50 | L28-A46 HydrophobicContact CD1-CB 4.09Å; V31-A46 HydrophobicContact CG1-CB 4Å; Y32-A46 HydrophobicContact CE1-CB 4.29Å; T40-A46 VanDerWaalsContact O-CB 3.27Å; T40-A46 WeakPolarHBondContact O-CB 3.49Å; V41-A46 WeakPolarHBondContact O-CB 3.42Å; S43-A46 PolarHBondContact O-N 3.18Å; S43-A46 WeakPolarHBondContact OG-CB 3.4Å; S43-A46 PolarHBondContact OG-N 2.81Å; A46-R50 WeakPolarHBondContact O-CG 3.39Å; A46-R50 PolarHBondContact O-N 2.85Å; A46-R50 PolarHBondContact O-NE 3.08Å |
| 47 | Y | 92 | Very high | 87.3 | Confident | 118 Ų | 118 | 53.8 Ų | 53.8 | 46% | 0.463 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61.4 | -49.1 | 173.8 | 175.6 | -98.4 | 0 | 0 | 0 | 111.2 | S43 E45 H49 R50 L51 | S43-Y47 WeakPolarHBondContact O-CB 3.18Å; S43-Y47 PolarHBondContact O-N 2.93Å; E45-Y47 VanDerWaalsContact C-N 3.34Å; E45-Y47 PolarHBondContact O-N 2.78Å; Y47-H49 VanDerWaalsContact C-N 3.34Å; Y47-H49 PolarHBondContact O-N 2.91Å; Y47-R50 PolarHBondContact O-N 2.93Å; Y47-L51 HydrophobicContact CE1-CD2 4.28Å; Y47-L51 WeakPolarHBondContact O-CB 3.31Å; Y47-L51 PolarHBondContact O-N 3.29Å |
| 48 | G | 93.4 | Very high | 88.7 | Confident | 29 Ų | 29 | 54.9 Ų | 54.9 | 30% | 0.299 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.4 | -40.6 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113 | Y44 E45 R52 | Y44-G48 PolarHBondContact O-N 3.37Å; E45-G48 PolarHBondContact O-N 2.72Å; G48-R52 WeakPolarHBondContact O-CB 3.42Å; G48-R52 PolarHBondContact O-N 3.36Å |
| 49 | H | 94.8 | Very high | 90.1 | Very high | 30 Ų | 30 | 58.9 Ų | 58.9 | 14% | 0.139 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64 | -45.1 | 174.8 | -69.7 | -12.4 | 0 | 0 | 0 | 112.5 | L28 E45 Y47 R52 L53 | L28-H49 HydrophobicContact CD1-CB 4.07Å; E45-H49 VanDerWaalsContact O-CG 3.3Å; E45-H49 PolarHBondContact O-N 2.81Å; E45-H49 IonicContact OE1-NE2 3.85Å; Y47-H49 VanDerWaalsContact C-N 3.34Å; Y47-H49 PolarHBondContact O-N 2.91Å; H49-R52 PolarHBondContact O-N 2.72Å; H49-L53 VanDerWaalsContact O-CB 3.23Å; H49-L53 WeakPolarHBondContact O-CB 3.26Å; H49-L53 PolarHBondContact O-N 2.84Å |
| 50 | R | 94.9 | Very high | 91.3 | Very high | 5 Ų | 5 | 50.7 Ų | 50.7 | 2% | 0.019 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.6 | -43.8 | 176.4 | -74.9 | -176.1 | -75.1 | 166.3 | -6.3 | 112.1 | L28 V41 A46 Y47 L53 K54 A80 H111 | L28-R50 HydrophobicContact CD1-CG 3.88Å; L28-R50 HydrophobicContact CD2-CG 3.77Å; V41-R50 PolarHBondContact O-NH2 3.01Å; A46-R50 WeakPolarHBondContact O-CG 3.39Å; A46-R50 PolarHBondContact O-N 2.85Å; A46-R50 PolarHBondContact O-NE 3.08Å; Y47-R50 PolarHBondContact O-N 2.93Å; R50-L53 PolarHBondContact O-N 2.88Å; R50-K54 WeakPolarHBondContact O-CG 3.41Å; R50-K54 PolarHBondContact O-N 3.2Å; R50-A80 WeakPolarHBondContact CD-O 3.39Å; R50-H111 PolarHBondContact NH1-CE1 3.35Å; R50-H111 PolarHBondContact NH1-ND1 2.94Å; R50-H111 PolarHBondContact NH1-NE2 3.48Å |
| 51 | L | 93.6 | Very high | 91.9 | Very high | 64 Ų | 64 | 49.7 Ų | 49.7 | 34% | 0.335 | 23% | 0.225 | S | C | . | . | H | α-helix | trans | -58.5 | -51.6 | 177.2 | 179.2 | 60.9 | 0 | 0 | 0 | 111 | Y47 L53 K54 E55 | Y47-L51 HydrophobicContact CE1-CD2 4.28Å; Y47-L51 WeakPolarHBondContact O-CB 3.31Å; Y47-L51 PolarHBondContact O-N 3.29Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 3.44Å; L51-K54 PolarHBondContact O-N 3.49Å; L51-E55 PolarHBondContact O-N 3.21Å |
| 52 | R | 94.9 | Very high | 91.9 | Very high | 121 Ų | 121 | 52.3 Ų | 52.3 | 46% | 0.457 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -65.4 | -35.5 | -179.7 | -171.7 | 56.3 | 172.5 | -172.6 | -5.5 | 112.8 | L24 G48 H49 E55 L56 | L24-R52 HydrophobicContact CD1-CB 3.96Å; L24-R52 HydrophobicContact CD1-CG 3.72Å; G48-R52 WeakPolarHBondContact O-CB 3.42Å; G48-R52 PolarHBondContact O-N 3.36Å; H49-R52 PolarHBondContact O-N 2.72Å; R52-E55 VanDerWaalsContact CD-OE2 3.32Å; R52-E55 WeakPolarHBondContact CD-OE2 3.39Å; R52-E55 IonicContact CZ-OE2 3.4Å; R52-E55 IonicContact NE-OE2 3.44Å; R52-E55 IonicContact NH1-OE2 2.62Å; R52-E55 PolarHBondContact NH1-OE2 2.84Å; R52-E55 PolarHBondContact O-N 3.36Å; R52-L56 HydrophobicContact CG-CD1 4.46Å; R52-L56 WeakPolarHBondContact O-CG 3.27Å; R52-L56 PolarHBondContact O-N 3.41Å; R52-L56 VanDerWaalsContact O-N 3.11Å |
| 53 | L | 95.3 | Very high | 91.7 | Very high | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.8 | -46.3 | 176 | 179.9 | 61.9 | 0 | 0 | 0 | 111.1 | A21 L24 I25 H49 R50 L51 E55 L56 L57 K79 | A21-L53 HydrophobicContact CB-CD1 3.89Å; L24-L53 HydrophobicContact CB-CD1 4.35Å; L24-L53 HydrophobicContact CD1-CB 4.26Å; I25-L53 HydrophobicContact CD1-CD1 4.36Å; I25-L53 HydrophobicContact CG1-CD1 3.99Å; I25-L53 HydrophobicContact CG1-CD2 3.82Å; H49-L53 VanDerWaalsContact O-CB 3.23Å; H49-L53 WeakPolarHBondContact O-CB 3.26Å; H49-L53 PolarHBondContact O-N 2.84Å; R50-L53 PolarHBondContact O-N 2.88Å; L51-L53 VanDerWaalsContact C-N 3.31Å; L51-L53 PolarHBondContact O-N 3.44Å; L53-E55 PolarHBondContact O-N 3.22Å; L53-L56 PolarHBondContact O-N 3.43Å; L53-L57 HydrophobicContact CD1-CD1 3.77Å; L53-L57 HydrophobicContact CD1-CG 4.02Å; L53-L57 HydrophobicContact CG-CD1 3.8Å; L53-L57 HydrophobicContact CG-CG 4.39Å; L53-L57 WeakPolarHBondContact O-CB 2.99Å; L53-L57 WeakPolarHBondContact O-CG 3.3Å; L53-L57 PolarHBondContact O-N 3.41Å; L53-K79 HydrophobicContact CD2-CB 3.92Å |
| 54 | K | 94.1 | Very high | 91.4 | Very high | 24 Ų | 24 | 53.9 Ų | 53.9 | 10% | 0.104 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.9 | -47.2 | 176.3 | -70.1 | -177.3 | -61.2 | 174.4 | 0 | 112 | R50 L51 L56 L57 Q58 I76 A80 F81 Y118 | R50-K54 WeakPolarHBondContact O-CG 3.41Å; R50-K54 PolarHBondContact O-N 3.2Å; L51-K54 PolarHBondContact O-N 3.49Å; K54-L56 VanDerWaalsContact C-N 3.35Å; K54-L56 PolarHBondContact O-N 3.08Å; K54-L57 PolarHBondContact O-N 2.6Å; K54-Q58 VanDerWaalsContact O-CB 3.29Å; K54-Q58 WeakPolarHBondContact O-CB 3.39Å; K54-Q58 PolarHBondContact O-N 3.21Å; K54-I76 HydrophobicContact CG-CG2 4.39Å; K54-A80 HydrophobicContact CD-CB 3.92Å; K54-A80 HydrophobicContact CG-CB 3.61Å; K54-F81 HydrophobicContact CD-CE1 3.86Å; K54-F81 HydrophobicContact CD-CE2 3.92Å; K54-F81 HydrophobicContact CD-CZ 3.34Å; K54-F81 HydrophobicContact CG-CZ 4.47Å; K54-Y118 HydrophobicContact CB-CE2 4.34Å; K54-Y118 HydrophobicContact CD-CD2 4.47Å; K54-Y118 HydrophobicContact CD-CE2 4.46Å |
| 55 | E | 93 | Very high | 91 | Very high | 76 Ų | 76 | 44.6 Ų | 44.6 | 36% | 0.355 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -59.4 | -42.8 | 178.4 | -68.7 | 175.2 | 175.1 | 0 | 0 | 112.6 | L51 R52 L53 K59 | L51-E55 PolarHBondContact O-N 3.21Å; R52-E55 VanDerWaalsContact CD-OE2 3.32Å; R52-E55 WeakPolarHBondContact CD-OE2 3.39Å; R52-E55 IonicContact CZ-OE2 3.4Å; R52-E55 IonicContact NE-OE2 3.44Å; R52-E55 IonicContact NH1-OE2 2.62Å; R52-E55 PolarHBondContact NH1-OE2 2.84Å; R52-E55 PolarHBondContact O-N 3.36Å; L53-E55 PolarHBondContact O-N 3.22Å; E55-K59 WeakPolarHBondContact O-CB 3.42Å; E55-K59 VanDerWaalsContact O-CG 3.26Å; E55-K59 WeakPolarHBondContact O-CG 3.36Å; E55-K59 PolarHBondContact O-N 3.09Å |
| 56 | L | 93.3 | Very high | 90.3 | Very high | 12 Ų | 12 | 42.1 Ų | 42.1 | 6% | 0.063 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -68.6 | -43.7 | 179.5 | -69.7 | 176 | 0 | 0 | 0 | 111.9 | L17 A20 L24 R52 L53 K54 K59 L60 | L17-L56 HydrophobicContact CD2-CD2 3.67Å; A20-L56 HydrophobicContact CB-CD1 3.8Å; L24-L56 HydrophobicContact CD1-CD1 3.58Å; R52-L56 HydrophobicContact CG-CD1 4.46Å; R52-L56 WeakPolarHBondContact O-CG 3.27Å; R52-L56 PolarHBondContact O-N 3.41Å; R52-L56 VanDerWaalsContact O-N 3.11Å; L53-L56 PolarHBondContact O-N 3.43Å; K54-L56 VanDerWaalsContact C-N 3.35Å; K54-L56 PolarHBondContact O-N 3.08Å; L56-K59 PolarHBondContact O-N 2.68Å; L56-L60 PolarHBondContact O-N 2.83Å |
| 57 | L | 93.8 | Very high | 89.7 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -68.7 | -37.5 | 179.9 | -68.1 | 175 | 0 | 0 | 0 | 111.7 | W18 A21 L53 K54 L60 M61 T72 L75 I76 | W18-L57 HydrophobicContact CH2-CD2 4.39Å; W18-L57 HydrophobicContact CZ3-CD2 4.06Å; A21-L57 HydrophobicContact CB-CD2 3.97Å; L53-L57 HydrophobicContact CD1-CD1 3.77Å; L53-L57 HydrophobicContact CD1-CG 4.02Å; L53-L57 HydrophobicContact CG-CD1 3.8Å; L53-L57 HydrophobicContact CG-CG 4.39Å; L53-L57 WeakPolarHBondContact O-CB 2.99Å; L53-L57 WeakPolarHBondContact O-CG 3.3Å; L53-L57 PolarHBondContact O-N 3.41Å; K54-L57 PolarHBondContact O-N 2.6Å; L57-L60 HydrophobicContact CD2-CD1 4.17Å; L57-L60 WeakPolarHBondContact O-CB 3.44Å; L57-L60 PolarHBondContact O-N 2.91Å; L57-M61 WeakPolarHBondContact O-CB 3.5Å; L57-M61 PolarHBondContact O-N 2.93Å; L57-T72 HydrophobicContact CD2-CG2 4.33Å; L57-L75 HydrophobicContact CD1-CB 3.68Å; L57-L75 HydrophobicContact CD2-CB 4.38Å; L57-L75 HydrophobicContact CD2-CD1 4.21Å; L57-I76 HydrophobicContact CB-CD1 3.76Å; L57-I76 HydrophobicContact CB-CG1 3.58Å; L57-I76 HydrophobicContact CD1-CG1 3.64Å; L57-I76 HydrophobicContact CG-CG1 4.27Å |
| 58 | Q | 91.9 | Very high | 89.2 | Confident | 56 Ų | 56 | 41.9 Ų | 41.9 | 26% | 0.262 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -63.7 | -43.7 | 172.5 | -174.9 | 172.8 | -18.5 | 0 | 0 | 111.5 | K54 L60 M61 F62 Y118 L122 | K54-Q58 VanDerWaalsContact O-CB 3.29Å; K54-Q58 WeakPolarHBondContact O-CB 3.39Å; K54-Q58 PolarHBondContact O-N 3.21Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; Q58-L60 PolarHBondContact O-N 3.24Å; Q58-M61 VanDerWaalsContact O-CB 3.32Å; Q58-M61 WeakPolarHBondContact O-CB 3.36Å; Q58-M61 PolarHBondContact O-N 3.41Å; Q58-M61 VanDerWaalsContact O-N 3.14Å; Q58-F62 HydrophobicContact CG-CD2 3.93Å; Q58-F62 HydrophobicContact CG-CE2 3.83Å; Q58-F62 WeakPolarHBondContact O-CD2 3.14Å; Q58-F62 PolarHBondContact O-N 3.4Å; Q58-F62 VanDerWaalsContact O-N 3.14Å; Q58-Y118 VanDerWaalsContact OE1-CE2 3.3Å; Q58-Y118 PolarHBondContact OE1-OH 2.9Å; Q58-L122 HydrophobicContact CG-CD2 3.95Å |
| 59 | K | 90.1 | Very high | 88.7 | Confident | 114 Ų | 114 | 42.2 Ų | 42.2 | 50% | 0.496 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -59.2 | -43.6 | 173.9 | -74.9 | 174.5 | -176.1 | -174.4 | 0 | 112 | L17 E55 L56 M61 F62 M63 | L17-K59 HydrophobicContact CD1-CB 4.42Å; E55-K59 WeakPolarHBondContact O-CB 3.42Å; E55-K59 VanDerWaalsContact O-CG 3.26Å; E55-K59 WeakPolarHBondContact O-CG 3.36Å; E55-K59 PolarHBondContact O-N 3.09Å; L56-K59 PolarHBondContact O-N 2.68Å; K59-M61 VanDerWaalsContact C-N 3.28Å; K59-M61 PolarHBondContact O-N 3.46Å; K59-F62 PolarHBondContact O-N 3.22Å; K59-M63 WeakPolarHBondContact O-CB 3.09Å; K59-M63 VanDerWaalsContact O-CG 3.27Å; K59-M63 WeakPolarHBondContact O-CG 3.36Å; K59-M63 PolarHBondContact O-N 2.89Å; K59-M63 VanDerWaalsContact O-N 3.07Å |
| 60 | L | 90.3 | Very high | 88.3 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -60 | -38.2 | 174.8 | -83.1 | 165.7 | 0 | 0 | 0 | 112.8 | L17 W18 L56 L57 Q58 N68 T72 | L17-L60 HydrophobicContact CB-CD1 3.92Å; L17-L60 HydrophobicContact CB-CD2 3.61Å; L17-L60 HydrophobicContact CB-CG 3.62Å; L17-L60 HydrophobicContact CD1-CD2 4.01Å; L17-L60 HydrophobicContact CD1-CG 4.01Å; L17-L60 HydrophobicContact CG-CD2 4.47Å; L17-L60 HydrophobicContact CG-CG 4.48Å; W18-L60 HydrophobicContact CD2-CD1 3.78Å; W18-L60 HydrophobicContact CD2-CD2 4.49Å; W18-L60 HydrophobicContact CE3-CD1 4.12Å; W18-L60 HydrophobicContact CG-CD1 4.04Å; W18-L60 HydrophobicContact CG-CD2 4.19Å; W18-L60 HydrophobicContact CZ2-CD1 4.33Å; L56-L60 PolarHBondContact O-N 2.83Å; L57-L60 HydrophobicContact CD2-CD1 4.17Å; L57-L60 WeakPolarHBondContact O-CB 3.44Å; L57-L60 PolarHBondContact O-N 2.91Å; Q58-L60 VanDerWaalsContact C-N 3.32Å; Q58-L60 PolarHBondContact O-N 3.24Å; L60-N68 WeakPolarHBondContact O-CB 3.34Å; L60-N68 PolarHBondContact O-ND2 3.43Å; L60-T72 HydrophobicContact CB-CG2 3.58Å; L60-T72 HydrophobicContact CD1-CG2 4.46Å |
| 61 | M | 89.4 | Confident | 88 | Confident | 0 Ų | 0 | 54.2 Ų | 54.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -63.2 | -49.5 | 179.5 | -170.9 | -177.6 | -59.5 | 0 | 0 | 111.8 | L57 Q58 K59 M63 D64 L65 F69 E73 I76 F126 L175 | L57-M61 WeakPolarHBondContact O-CB 3.5Å; L57-M61 PolarHBondContact O-N 2.93Å; Q58-M61 VanDerWaalsContact O-CB 3.32Å; Q58-M61 WeakPolarHBondContact O-CB 3.36Å; Q58-M61 PolarHBondContact O-N 3.41Å; Q58-M61 VanDerWaalsContact O-N 3.14Å; K59-M61 VanDerWaalsContact C-N 3.28Å; K59-M61 PolarHBondContact O-N 3.46Å; M61-M63 VanDerWaalsContact C-N 3.35Å; M61-D64 CarbonylContact O-C 3.58Å; M61-L65 WeakPolarHBondContact O-CA 3.28Å; M61-L65 PolarHBondContact O-N 3.39Å; M61-F69 HydrophobicContact CG-CB 4.36Å; M61-E73 HydrophobicContact CE-CB 3.86Å; M61-I76 HydrophobicContact CE-CD1 3.77Å; M61-F126 HydrophobicContact SD-CE1 3.89Å; M61-F126 HydrophobicContact SD-CZ 3.55Å; M61-F126 VanDerWaalsContact SD-CZ 3.55Å; M61-L175 HydrophobicContact CG-CD1 4.45Å; M61-L175 HydrophobicContact SD-CD1 4.26Å; M61-L175 HydrophobicContact SD-CD2 4.15Å |
| 62 | F | 86.9 | Confident | 87.9 | Confident | 57 Ų | 57 | 51.2 Ų | 51.2 | 25% | 0.25 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -79.9 | -12.1 | -179.3 | -71.9 | -82.1 | 0 | 0 | 0 | 114.1 | Q58 K59 L65 L122 A125 F126 E129 | Q58-F62 HydrophobicContact CG-CD2 3.93Å; Q58-F62 HydrophobicContact CG-CE2 3.83Å; Q58-F62 WeakPolarHBondContact O-CD2 3.14Å; Q58-F62 PolarHBondContact O-N 3.4Å; Q58-F62 VanDerWaalsContact O-N 3.14Å; K59-F62 PolarHBondContact O-N 3.22Å; F62-L65 HydrophobicContact CD1-CD1 4.37Å; F62-L122 HydrophobicContact CE2-CD2 4.12Å; F62-A125 HydrophobicContact CE1-CB 4.45Å; F62-A125 HydrophobicContact CZ-CB 3.82Å; F62-F126 AromaticContact CE1-CD1 3.84Å; F62-F126 HydrophobicContact CE1-CD1 3.84Å; F62-F126 AromaticContact CE1-CE1 3.88Å; F62-F126 HydrophobicContact CE1-CE1 3.88Å; F62-F126 HydrophobicContact CE2-CE1 4.14Å; F62-F126 AromaticContact CZ-CD1 3.67Å; F62-F126 HydrophobicContact CZ-CD1 3.67Å; F62-F126 AromaticContact CZ-CE1 3.44Å; F62-F126 HydrophobicContact CZ-CE1 3.44Å; F62-F126 VanDerWaalsContact CZ-CE1 3.44Å; F62-F126 HydrophobicContact CZ-CZ 4.43Å; F62-E129 HydrophobicContact CD1-CG 4.21Å; F62-E129 HydrophobicContact CE1-CG 3.92Å |
| 63 | M | 85.4 | Confident | 87.8 | Confident | 63 Ų | 63 | 45.5 Ų | 45.5 | 31% | 0.31 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -70.1 | -36.3 | 173.1 | -86.3 | -175.9 | 71.3 | 0 | 0 | 113.1 | N10 K13 L17 K59 M61 | N10-M63 WeakPolarHBondContact O-CE 3.08Å; K13-M63 HydrophobicContact CB-CE 3.69Å; L17-M63 HydrophobicContact CD1-SD 3.37Å; L17-M63 WeakPolarHBondContact CD1-SD 3.45Å; K59-M63 WeakPolarHBondContact O-CB 3.09Å; K59-M63 VanDerWaalsContact O-CG 3.27Å; K59-M63 WeakPolarHBondContact O-CG 3.36Å; K59-M63 PolarHBondContact O-N 2.89Å; K59-M63 VanDerWaalsContact O-N 3.07Å; M61-M63 VanDerWaalsContact C-N 3.35Å |
| 64 | D | 81.4 | Confident | 87.7 | Confident | 42 Ų | 42 | 48.6 Ų | 48.6 | 23% | 0.225 | 23% | 0.228 | C | C | . | . | trans | -154.9 | 93.3 | 174.7 | 178.3 | -0.5 | 0 | 0 | 0 | 108.4 | M61 S66 T67 N68 | M61-D64 CarbonylContact O-C 3.58Å; D64-S66 PolarHBondContact O-N 2.91Å; D64-S66 PolarHBondContact OD1-N 3.25Å; D64-S66 PolarHBondContact OD1-OG 3.49Å; D64-T67 PolarHBondContact O-N 3.37Å; D64-T67 PolarHBondContact OD1-N 3.03Å; D64-T67 WeakPolarHBondContact OD2-CB 3.49Å; D64-T67 PolarHBondContact OD2-OG1 3.4Å; D64-N68 PolarHBondContact O-N 2.89Å | ||
| 65 | L | 80.7 | Confident | 87.7 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 7% | 0.068 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -28.7 | -179.6 | -80.1 | 97.4 | 0 | 0 | 0 | 112.1 | M61 F62 F69 I172 | M61-L65 WeakPolarHBondContact O-CA 3.28Å; M61-L65 PolarHBondContact O-N 3.39Å; F62-L65 HydrophobicContact CD1-CD1 4.37Å; L65-F69 WeakPolarHBondContact O-CB 3.32Å; L65-F69 WeakPolarHBondContact O-CD1 3.24Å; L65-F69 WeakPolarHBondContact O-CG 3.37Å; L65-I172 HydrophobicContact CD2-CD1 3.98Å; L65-I172 HydrophobicContact CD2-CG1 3.46Å; L65-I172 VanDerWaalsContact CD2-CG1 3.46Å |
| 66 | S | 74.6 | Confident | 87.9 | Confident | 59 Ų | 59 | 45.2 Ų | 45.2 | 41% | 0.413 | 21% | 0.213 | S | C | . | . | H | α-helix | trans | -73.3 | -39.4 | -176.4 | 71.5 | 0 | 0 | 0 | 0 | 112 | D64 | D64-S66 PolarHBondContact O-N 2.91Å; D64-S66 PolarHBondContact OD1-N 3.25Å; D64-S66 PolarHBondContact OD1-OG 3.49Å |
| 67 | T | 79.3 | Confident | 88 | Confident | 96 Ų | 96 | 46 Ų | 46 | 59% | 0.589 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -96.8 | -42.5 | -172.9 | -48.5 | 0 | 0 | 0 | 0 | 113.2 | D64 | D64-T67 PolarHBondContact O-N 3.37Å; D64-T67 PolarHBondContact OD1-N 3.03Å; D64-T67 WeakPolarHBondContact OD2-CB 3.49Å; D64-T67 PolarHBondContact OD2-OG1 3.4Å |
| 68 | N | 82.1 | Confident | 88.1 | Confident | 17 Ų | 17 | 51 Ų | 51 | 9% | 0.091 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -95.1 | -16 | -165.3 | -66.8 | -48.2 | 0 | 0 | 0 | 114.2 | W18 L60 D64 R70 R71 T72 | W18-N68 PolarHBondContact NE1-OD1 3.48Å; L60-N68 WeakPolarHBondContact O-CB 3.34Å; L60-N68 PolarHBondContact O-ND2 3.43Å; D64-N68 PolarHBondContact O-N 2.89Å; N68-R70 PolarHBondContact O-N 3.19Å; N68-R71 PolarHBondContact O-N 3.18Å; N68-T72 HydrophobicContact CB-CG2 4.14Å; N68-T72 WeakPolarHBondContact O-CB 3.3Å; N68-T72 VanDerWaalsContact O-CG2 3.31Å; N68-T72 WeakPolarHBondContact O-CG2 3.13Å; N68-T72 PolarHBondContact O-N 3.19Å; N68-T72 PolarHBondContact O-OG1 2.74Å |
| 69 | F | 83.5 | Confident | 88.2 | Confident | 37 Ų | 37 | 50.2 Ų | 50.2 | 16% | 0.162 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -60.4 | -48 | -165.4 | 79.5 | -80.1 | 0 | 0 | 0 | 114 | M61 L65 R71 T72 E73 A171 K174 L175 | M61-F69 HydrophobicContact CG-CB 4.36Å; L65-F69 WeakPolarHBondContact O-CB 3.32Å; L65-F69 WeakPolarHBondContact O-CD1 3.24Å; L65-F69 WeakPolarHBondContact O-CG 3.37Å; F69-R71 VanDerWaalsContact C-N 3.35Å; F69-R71 PolarHBondContact O-N 2.92Å; F69-T72 WeakPolarHBondContact CA-OG1 3.45Å; F69-T72 PolarHBondContact O-N 2.92Å; F69-T72 PolarHBondContact O-OG1 3.12Å; F69-E73 VanDerWaalsContact O-CB 3.31Å; F69-E73 WeakPolarHBondContact O-CB 3.37Å; F69-E73 PolarHBondContact O-N 2.93Å; F69-A171 HydrophobicContact CD1-CB 4.06Å; F69-A171 HydrophobicContact CE1-CB 3.96Å; F69-A171 HydrophobicContact CG-CB 4.35Å; F69-A171 HydrophobicContact CZ-CB 4.22Å; F69-K174 HydrophobicContact CE2-CB 4.2Å; F69-K174 HydrophobicContact CZ-CD 4.46Å; F69-L175 HydrophobicContact CB-CD1 3.74Å; F69-L175 HydrophobicContact CB-CD2 4.11Å; F69-L175 HydrophobicContact CB-CG 4.1Å; F69-L175 HydrophobicContact CD2-CD1 4.09Å; F69-L175 HydrophobicContact CD2-CD2 3.81Å; F69-L175 HydrophobicContact CD2-CG 3.59Å; F69-L175 HydrophobicContact CE2-CG 4.44Å; F69-L175 HydrophobicContact CG-CD1 4.25Å; F69-L175 HydrophobicContact CG-CD2 4.47Å; F69-L175 HydrophobicContact CG-CG 4.24Å |
| 70 | R | 85.3 | Confident | 88.4 | Confident | 144 Ų | 144 | 44.8 Ų | 44.8 | 54% | 0.543 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -60.2 | -46.8 | -176.2 | -172.2 | 178.5 | -176.5 | -165.5 | -2.8 | 110.9 | N68 E74 E703 | N68-R70 PolarHBondContact O-N 3.19Å; R70-E74 WeakPolarHBondContact O-CB 3.18Å; R70-E74 PolarHBondContact O-N 3.03Å; R70-E74 VanDerWaalsContact O-N 3.17Å; R70-E703 IonicContact CZ-OE1 3.35Å; R70-E703 IonicContact NH2-OE1 3.86Å; R70-E703 PolarHBondContact NH2-OE1 3.07Å; R70-E703 IonicContact NH2-OE2 2.77Å |
| 71 | R | 88.9 | Confident | 88.6 | Confident | 143 Ų | 143 | 45 Ų | 45 | 54% | 0.54 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -72.6 | -38.6 | -177.1 | -167 | -178.2 | -176.7 | 157.6 | 9.1 | 112.7 | W18 Y22 N68 F69 L75 | W18-R71 HydrophobicContact CH2-CB 3.99Å; W18-R71 HydrophobicContact CH2-CG 3.58Å; W18-R71 HydrophobicContact CZ2-CB 4.33Å; W18-R71 HydrophobicContact CZ2-CG 4.23Å; W18-R71 HydrophobicContact CZ3-CG 4.28Å; Y22-R71 PolarHBondContact OH-NE 3.09Å; Y22-R71 VanDerWaalsContact OH-NE 3.15Å; Y22-R71 PolarHBondContact OH-NH2 2.87Å; N68-R71 PolarHBondContact O-N 3.18Å; F69-R71 VanDerWaalsContact C-N 3.35Å; F69-R71 PolarHBondContact O-N 2.92Å; R71-L75 HydrophobicContact CG-CD1 4.43Å; R71-L75 WeakPolarHBondContact O-CG 3.31Å; R71-L75 PolarHBondContact O-N 2.84Å |
| 72 | T | 92.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 48.2 Ų | 48.2 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -69.8 | -47.4 | -179.3 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | W18 L57 L60 N68 F69 E74 L75 I76 | W18-T72 HydrophobicContact CH2-CG2 3.73Å; W18-T72 HydrophobicContact CZ2-CG2 3.71Å; L57-T72 HydrophobicContact CD2-CG2 4.33Å; L60-T72 HydrophobicContact CB-CG2 3.58Å; L60-T72 HydrophobicContact CD1-CG2 4.46Å; N68-T72 HydrophobicContact CB-CG2 4.14Å; N68-T72 WeakPolarHBondContact O-CB 3.3Å; N68-T72 VanDerWaalsContact O-CG2 3.31Å; N68-T72 WeakPolarHBondContact O-CG2 3.13Å; N68-T72 PolarHBondContact O-N 3.19Å; N68-T72 PolarHBondContact O-OG1 2.74Å; F69-T72 WeakPolarHBondContact CA-OG1 3.45Å; F69-T72 PolarHBondContact O-N 2.92Å; F69-T72 PolarHBondContact O-OG1 3.12Å; T72-E74 PolarHBondContact O-N 3.01Å; T72-L75 PolarHBondContact O-N 3.44Å; T72-I76 VanDerWaalsContact O-CG1 3.31Å; T72-I76 WeakPolarHBondContact O-CG1 3.2Å; T72-I76 PolarHBondContact O-N 3.34Å |
| 73 | E | 92.8 | Very high | 89.2 | Confident | 2 Ų | 2 | 47.2 Ų | 47.2 | 1% | 0.009 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -60.9 | -44.5 | 177 | -178.6 | -73.3 | 148.5 | 0 | 0 | 111.1 | M61 F69 L75 I76 W77 L175 K178 N182 | M61-E73 HydrophobicContact CE-CB 3.86Å; F69-E73 VanDerWaalsContact O-CB 3.31Å; F69-E73 WeakPolarHBondContact O-CB 3.37Å; F69-E73 PolarHBondContact O-N 2.93Å; E73-L75 VanDerWaalsContact C-N 3.31Å; E73-L75 PolarHBondContact O-N 2.95Å; E73-I76 WeakPolarHBondContact O-CB 3.34Å; E73-I76 PolarHBondContact O-N 2.95Å; E73-I76 VanDerWaalsContact O-N 3.13Å; E73-W77 PolarHBondContact O-N 3.25Å; E73-L175 HydrophobicContact CB-CD2 3.91Å; E73-L175 HydrophobicContact CG-CD2 4.09Å; E73-K178 VanDerWaalsContact CD-CD 3.48Å; E73-K178 VanDerWaalsContact CD-CE 3.48Å; E73-K178 HydrophobicContact CG-CD 4.45Å; E73-K178 WeakPolarHBondContact OE2-CD 3.41Å; E73-K178 WeakPolarHBondContact OE2-CE 3.45Å; E73-K178 IonicContact OE2-NZ 3.56Å; E73-K178 PolarHBondContact OE2-NZ 3.3Å; E73-N182 PolarHBondContact OE1-ND2 3.22Å |
| 74 | E | 92.8 | Very high | 89.5 | Confident | 65 Ų | 65 | 44.2 Ų | 44.2 | 30% | 0.304 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -61.9 | -40.8 | -179.1 | -168.8 | -159.2 | 148.4 | 0 | 0 | 111.5 | R70 T72 W77 R78 | R70-E74 WeakPolarHBondContact O-CB 3.18Å; R70-E74 PolarHBondContact O-N 3.03Å; R70-E74 VanDerWaalsContact O-N 3.17Å; T72-E74 PolarHBondContact O-N 3.01Å; E74-W77 PolarHBondContact O-N 3.21Å; E74-R78 HydrophobicContact CG-CG 4.37Å; E74-R78 WeakPolarHBondContact O-CB 3.2Å; E74-R78 VanDerWaalsContact O-CG 3.29Å; E74-R78 WeakPolarHBondContact O-CG 3.25Å; E74-R78 PolarHBondContact O-N 2.94Å; E74-R78 VanDerWaalsContact OE1-CD 3.29Å; E74-R78 WeakPolarHBondContact OE1-CD 3.36Å; E74-R78 IonicContact OE1-CZ 2.75Å; E74-R78 IonicContact OE1-NE 2.66Å; E74-R78 IonicContact OE1-NH1 2.6Å; E74-R78 PolarHBondContact OE1-NH1 2.99Å |
| 75 | L | 94.2 | Very high | 90 | Very high | 29 Ų | 29 | 43.2 Ų | 43.2 | 15% | 0.152 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -68.2 | -37.5 | 176.3 | -76.4 | 171.3 | 0 | 0 | 0 | 112.5 | W18 I25 L57 R71 T72 E73 K79 | W18-L75 HydrophobicContact CH2-CD1 4.02Å; W18-L75 HydrophobicContact CZ3-CD1 3.5Å; W18-L75 VanDerWaalsContact CZ3-CD1 3.5Å; I25-L75 HydrophobicContact CD1-CD2 4.03Å; L57-L75 HydrophobicContact CD1-CB 3.68Å; L57-L75 HydrophobicContact CD2-CB 4.38Å; L57-L75 HydrophobicContact CD2-CD1 4.21Å; R71-L75 HydrophobicContact CG-CD1 4.43Å; R71-L75 WeakPolarHBondContact O-CG 3.31Å; R71-L75 PolarHBondContact O-N 2.84Å; T72-L75 PolarHBondContact O-N 3.44Å; E73-L75 VanDerWaalsContact C-N 3.31Å; E73-L75 PolarHBondContact O-N 2.95Å; L75-K79 WeakPolarHBondContact O-CB 3.45Å; L75-K79 PolarHBondContact O-N 3.2Å |
| 76 | I | 95.7 | Very high | 90.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | I | π-helix | trans | -59.7 | -52.4 | 173.1 | -69.3 | 163.5 | 0 | 0 | 0 | 109.2 | K54 L57 M61 T72 E73 A80 F81 Y118 | K54-I76 HydrophobicContact CG-CG2 4.39Å; L57-I76 HydrophobicContact CB-CD1 3.76Å; L57-I76 HydrophobicContact CB-CG1 3.58Å; L57-I76 HydrophobicContact CD1-CG1 3.64Å; L57-I76 HydrophobicContact CG-CG1 4.27Å; M61-I76 HydrophobicContact CE-CD1 3.77Å; T72-I76 VanDerWaalsContact O-CG1 3.31Å; T72-I76 WeakPolarHBondContact O-CG1 3.2Å; T72-I76 PolarHBondContact O-N 3.34Å; E73-I76 WeakPolarHBondContact O-CB 3.34Å; E73-I76 PolarHBondContact O-N 2.95Å; E73-I76 VanDerWaalsContact O-N 3.13Å; I76-A80 WeakPolarHBondContact O-CA 3.48Å; I76-A80 WeakPolarHBondContact O-CB 3.27Å; I76-A80 PolarHBondContact O-N 2.99Å; I76-F81 HydrophobicContact CG2-CD2 3.87Å; I76-F81 HydrophobicContact CG2-CE2 3.55Å; I76-F81 PolarHBondContact O-N 3.22Å; I76-Y118 HydrophobicContact CG2-CE1 3.77Å |
| 77 | W | 96.7 | Very high | 91.3 | Very high | 30 Ų | 30 | 45 Ų | 45 | 11% | 0.114 | 20% | 0.196 | C | C | . | . | I | π-helix | trans | -55.3 | -58 | 178.7 | 175.3 | -116.3 | 0 | 0 | 0 | 111.3 | E73 E74 F81 Y82 Y119 N182 D185 L186 Y189 | E73-W77 PolarHBondContact O-N 3.25Å; E74-W77 PolarHBondContact O-N 3.21Å; W77-F81 PolarHBondContact O-N 3.03Å; W77-Y82 HydrophobicContact CZ2-CD2 4.25Å; W77-Y82 WeakPolarHBondContact O-CB 3.44Å; W77-Y82 PolarHBondContact O-N 3.47Å; W77-Y119 VanDerWaalsContact CA-OH 3.3Å; W77-Y119 WeakPolarHBondContact CA-OH 3.38Å; W77-Y119 WeakPolarHBondContact CB-OH 3.27Å; W77-Y119 AromaticContact CE3-CE2 3.98Å; W77-Y119 HydrophobicContact CE3-CE2 3.98Å; W77-Y119 HydrophobicContact CZ3-CE2 4.31Å; W77-Y119 PolarHBondContact N-OH 2.8Å; W77-N182 HydrophobicContact CD2-CB 4.48Å; W77-N182 HydrophobicContact CE3-CB 3.74Å; W77-N182 HydrophobicContact CH2-CB 4.23Å; W77-N182 HydrophobicContact CZ3-CB 3.6Å; W77-D185 HydrophobicContact CH2-CB 3.56Å; W77-D185 HydrophobicContact CZ2-CB 3.94Å; W77-L186 HydrophobicContact CH2-CD2 4.42Å; W77-L186 HydrophobicContact CH2-CG 4.24Å; W77-L186 HydrophobicContact CZ3-CD1 4.23Å; W77-L186 HydrophobicContact CZ3-CD2 4.07Å; W77-L186 HydrophobicContact CZ3-CG 3.88Å; W77-Y189 AromaticContact CH2-CE2 3.96Å; W77-Y189 HydrophobicContact CH2-CE2 3.96Å; W77-Y189 HydrophobicContact CZ2-CE2 4.24Å |
| 78 | R | 95.1 | Very high | 91.8 | Very high | 103 Ų | 103 | 41 Ų | 41 | 39% | 0.389 | 17% | 0.17 | S | C | . | . | I | π-helix | trans | -65.2 | -55.5 | -173 | -69.6 | 176.9 | 70.6 | 159.7 | 6.4 | 112.2 | E74 E83 | E74-R78 HydrophobicContact CG-CG 4.37Å; E74-R78 WeakPolarHBondContact O-CB 3.2Å; E74-R78 VanDerWaalsContact O-CG 3.29Å; E74-R78 WeakPolarHBondContact O-CG 3.25Å; E74-R78 PolarHBondContact O-N 2.94Å; E74-R78 VanDerWaalsContact OE1-CD 3.29Å; E74-R78 WeakPolarHBondContact OE1-CD 3.36Å; E74-R78 IonicContact OE1-CZ 2.75Å; E74-R78 IonicContact OE1-NE 2.66Å; E74-R78 IonicContact OE1-NH1 2.6Å; E74-R78 PolarHBondContact OE1-NH1 2.99Å; R78-E83 WeakPolarHBondContact O-CB 3.06Å; R78-E83 PolarHBondContact O-N 3.42Å |
| 79 | K | 94.2 | Very high | 92.1 | Very high | 40 Ų | 40 | 44.5 Ų | 44.5 | 17% | 0.174 | 19% | 0.185 | C | C | . | . | I | π-helix | trans | -87.2 | -30.2 | -169.5 | -69.7 | -61.4 | -170.3 | 172.8 | 0 | 114 | I25 L28 D29 L53 L75 E83 | I25-K79 HydrophobicContact CD1-CG 4.41Å; I25-K79 HydrophobicContact CG1-CG 4.26Å; I25-K79 HydrophobicContact CG2-CD 4.16Å; I25-K79 HydrophobicContact CG2-CG 4.29Å; L28-K79 WeakPolarHBondContact CD2-O 3.42Å; D29-K79 IonicContact OD1-NZ 2.7Å; D29-K79 PolarHBondContact OD1-NZ 2.75Å; D29-K79 IonicContact OD2-NZ 3.27Å; L53-K79 HydrophobicContact CD2-CB 3.92Å; L75-K79 WeakPolarHBondContact O-CB 3.45Å; L75-K79 PolarHBondContact O-N 3.2Å; K79-E83 WeakPolarHBondContact CD-OE2 3.37Å; K79-E83 IonicContact NZ-OE1 3.96Å; K79-E83 PolarHBondContact NZ-OE1 3.23Å; K79-E83 IonicContact NZ-OE2 3.67Å; K79-E83 PolarHBondContact NZ-OE2 3.18Å |
| 80 | A | 93.6 | Very high | 92.3 | Very high | 1 Ų | 1 | 45.7 Ų | 45.7 | 1% | 0.008 | 20% | 0.195 | C | C | . | . | I | π-helix | trans | -89.4 | -36.9 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | R50 K54 I76 H111 | R50-A80 WeakPolarHBondContact CD-O 3.39Å; K54-A80 HydrophobicContact CD-CB 3.92Å; K54-A80 HydrophobicContact CG-CB 3.61Å; I76-A80 WeakPolarHBondContact O-CA 3.48Å; I76-A80 WeakPolarHBondContact O-CB 3.27Å; I76-A80 PolarHBondContact O-N 2.99Å; A80-H111 PolarHBondContact O-CE1 3.24Å; A80-H111 VanDerWaalsContact O-CE1 3.28Å; A80-H111 PolarHBondContact O-NE2 2.89Å |
| 81 | F | 95 | Very high | 92.3 | Very high | 3 Ų | 3 | 39.7 Ų | 39.7 | 1% | 0.013 | 17% | 0.172 | C | C | . | . | I | π-helix | trans | -120.1 | -45.5 | -167.3 | -61 | -55.4 | 0 | 0 | 0 | 115.3 | K54 I76 W77 P84 H111 A115 Y118 Y119 | K54-F81 HydrophobicContact CD-CE1 3.86Å; K54-F81 HydrophobicContact CD-CE2 3.92Å; K54-F81 HydrophobicContact CD-CZ 3.34Å; K54-F81 HydrophobicContact CG-CZ 4.47Å; I76-F81 HydrophobicContact CG2-CD2 3.87Å; I76-F81 HydrophobicContact CG2-CE2 3.55Å; I76-F81 PolarHBondContact O-N 3.22Å; W77-F81 PolarHBondContact O-N 3.03Å; F81-P84 WeakPolarHBondContact O-CD 3.44Å; F81-H111 AromaticContact CD1-CE1 3.74Å; F81-H111 AromaticContact CD1-NE2 3.97Å; F81-A115 HydrophobicContact CB-CB 4.27Å; F81-A115 HydrophobicContact CD1-CB 3.19Å; F81-A115 HydrophobicContact CD2-CB 4.28Å; F81-A115 VanDerWaalsContact CE1-CA 3.44Å; F81-A115 HydrophobicContact CE1-CB 3.35Å; F81-A115 HydrophobicContact CE2-CB 4.4Å; F81-A115 HydrophobicContact CG-CB 3.68Å; F81-A115 HydrophobicContact CZ-CB 3.96Å; F81-Y118 AromaticContact CE2-CD1 3.48Å; F81-Y118 HydrophobicContact CE2-CD1 3.48Å; F81-Y118 VanDerWaalsContact CE2-CD1 3.48Å; F81-Y118 AromaticContact CE2-CE1 3.97Å; F81-Y118 HydrophobicContact CE2-CE1 3.97Å; F81-Y118 HydrophobicContact CE2-CG 4.16Å; F81-Y118 AromaticContact CZ-CD1 3.57Å; F81-Y118 HydrophobicContact CZ-CD1 3.57Å; F81-Y118 HydrophobicContact CZ-CE1 4.31Å; F81-Y118 AromaticContact CZ-CG 3.75Å; F81-Y118 HydrophobicContact CZ-CG 3.75Å; F81-Y119 AromaticContact CD2-CE2 3.58Å; F81-Y119 HydrophobicContact CD2-CE2 3.58Å; F81-Y119 HydrophobicContact CE2-CD2 4.37Å; F81-Y119 AromaticContact CE2-CE2 3.74Å; F81-Y119 HydrophobicContact CE2-CE2 3.74Å |
| 82 | Y | 95.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 35 Ų | 35 | 27% | 0.271 | 16% | 0.16 | S | C | . | . | I | π-helix | trans | -76.8 | -42.9 | -175.9 | -179.6 | -102.2 | 0 | 0 | 0 | 113.1 | W77 Y85 F86 Y189 | W77-Y82 HydrophobicContact CZ2-CD2 4.25Å; W77-Y82 WeakPolarHBondContact O-CB 3.44Å; W77-Y82 PolarHBondContact O-N 3.47Å; Y82-Y85 HydrophobicContact CE2-CD1 4.2Å; Y82-Y85 WeakPolarHBondContact O-CA 3.29Å; Y82-Y85 WeakPolarHBondContact O-CB 3.35Å; Y82-Y85 PolarHBondContact O-N 2.95Å; Y82-F86 HydrophobicContact CD1-CB 4.44Å; Y82-F86 HydrophobicContact CE1-CB 4.08Å; Y82-F86 PolarHBondContact O-N 2.94Å; Y82-Y189 HydrophobicContact CD2-CE2 4.13Å; Y82-Y189 AromaticContact CE2-CZ 4Å; Y82-Y189 WeakPolarHBondContact CE2-OH 3.37Å |
| 83 | E | 93.2 | Very high | 91.7 | Very high | 36 Ų | 36 | 43.6 Ų | 43.6 | 17% | 0.168 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -56.2 | -41.1 | -177.6 | -176.4 | 168.8 | -136.6 | 0 | 0 | 114.1 | Y32 R78 K79 Y85 F86 L87 | Y32-E83 HydrophobicContact CD2-CG 4.19Å; Y32-E83 HydrophobicContact CE2-CG 3.78Å; Y32-E83 WeakPolarHBondContact CE2-OE2 3.33Å; R78-E83 WeakPolarHBondContact O-CB 3.06Å; R78-E83 PolarHBondContact O-N 3.42Å; K79-E83 WeakPolarHBondContact CD-OE2 3.37Å; K79-E83 IonicContact NZ-OE1 3.96Å; K79-E83 PolarHBondContact NZ-OE1 3.23Å; K79-E83 IonicContact NZ-OE2 3.67Å; K79-E83 PolarHBondContact NZ-OE2 3.18Å; E83-Y85 VanDerWaalsContact C-N 3.34Å; E83-Y85 PolarHBondContact O-N 3.47Å; E83-F86 WeakPolarHBondContact O-CB 3.45Å; E83-F86 PolarHBondContact O-N 2.89Å; E83-L87 HydrophobicContact CG-CD1 4.4Å; E83-L87 WeakPolarHBondContact O-CG 3.35Å; E83-L87 PolarHBondContact O-N 2.69Å |
| 84 | P | 92.5 | Very high | 91.1 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.2 | -41.1 | 169.8 | -27.4 | 35 | 0 | 0 | 0 | 114.6 | V41 F81 Y88 L108 | V41-P84 HydrophobicContact CG1-CB 3.99Å; F81-P84 WeakPolarHBondContact O-CD 3.44Å; P84-Y88 PolarHBondContact O-N 3.05Å; P84-Y88 VanDerWaalsContact O-N 3.09Å; P84-L108 HydrophobicContact CB-CD1 4.31Å |
| 85 | Y | 93.1 | Very high | 90.4 | Very high | 21 Ų | 21 | 48 Ų | 48 | 8% | 0.082 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -69.8 | -39.3 | 175.6 | 174.4 | -95.3 | 0 | 0 | 0 | 111.7 | Y82 E83 L87 Y88 K89 L108 I112 Y189 D192 F193 | Y82-Y85 HydrophobicContact CE2-CD1 4.2Å; Y82-Y85 WeakPolarHBondContact O-CA 3.29Å; Y82-Y85 WeakPolarHBondContact O-CB 3.35Å; Y82-Y85 PolarHBondContact O-N 2.95Å; E83-Y85 VanDerWaalsContact C-N 3.34Å; E83-Y85 PolarHBondContact O-N 3.47Å; Y85-L87 PolarHBondContact O-N 2.92Å; Y85-Y88 HydrophobicContact CD2-CD1 4.42Å; Y85-Y88 HydrophobicContact CE2-CD1 4.43Å; Y85-Y88 VanDerWaalsContact O-CB 3.3Å; Y85-Y88 WeakPolarHBondContact O-CB 3.45Å; Y85-Y88 PolarHBondContact O-N 2.78Å; Y85-K89 HydrophobicContact CE1-CG 4.12Å; Y85-K89 PolarHBondContact O-N 3.23Å; Y85-K89 VanDerWaalsContact O-N 3.08Å; Y85-K89 WeakPolarHBondContact OH-CE 3.28Å; Y85-K89 PolarHBondContact OH-NZ 2.76Å; Y85-L108 HydrophobicContact CD2-CD2 4.05Å; Y85-I112 HydrophobicContact CD2-CD1 4.48Å; Y85-Y189 HydrophobicContact CD1-CD1 4.13Å; Y85-Y189 HydrophobicContact CD1-CD2 4.25Å; Y85-Y189 HydrophobicContact CD1-CE1 4.13Å; Y85-Y189 HydrophobicContact CD1-CE2 4.28Å; Y85-Y189 HydrophobicContact CD1-CG 4.21Å; Y85-Y189 HydrophobicContact CD2-CD1 4.33Å; Y85-Y189 HydrophobicContact CD2-CD2 4.22Å; Y85-Y189 AromaticContact CD2-CG 3.88Å; Y85-Y189 HydrophobicContact CD2-CG 3.88Å; Y85-Y189 AromaticContact CE1-CD1 3.5Å; Y85-Y189 HydrophobicContact CE1-CD1 3.5Å; Y85-Y189 VanDerWaalsContact CE1-CD1 3.5Å; Y85-Y189 HydrophobicContact CE1-CD2 4.43Å; Y85-Y189 AromaticContact CE1-CE1 3.58Å; Y85-Y189 HydrophobicContact CE1-CE1 3.58Å; Y85-Y189 AromaticContact CE1-CG 3.98Å; Y85-Y189 HydrophobicContact CE1-CG 3.98Å; Y85-Y189 AromaticContact CE2-CD1 3.76Å; Y85-Y189 HydrophobicContact CE2-CD1 3.76Å; Y85-Y189 HydrophobicContact CE2-CD2 4.43Å; Y85-Y189 AromaticContact CE2-CG 3.65Å; Y85-Y189 HydrophobicContact CE2-CG 3.65Å; Y85-Y189 HydrophobicContact CG-CD1 4.5Å; Y85-Y189 HydrophobicContact CG-CD2 4.13Å; Y85-Y189 HydrophobicContact CG-CG 4.15Å; Y85-Y189 AromaticContact CZ-CD1 3.26Å; Y85-Y189 AromaticContact CZ-CE1 3.85Å; Y85-Y189 AromaticContact CZ-CG 3.67Å; Y85-Y189 WeakPolarHBondContact OH-CD1 3.48Å; Y85-D192 PolarHBondContact OH-OD2 3Å; Y85-F193 HydrophobicContact CE2-CZ 4.44Å |
| 86 | F | 91.4 | Very high | 89.6 | Confident | 66 Ų | 66 | 54.2 Ų | 54.2 | 29% | 0.289 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -59.8 | -46.6 | 173.3 | 174.7 | -97.9 | 0 | 0 | 0 | 111.6 | Y82 E83 Y88 K89 V90 C699 | Y82-F86 HydrophobicContact CD1-CB 4.44Å; Y82-F86 HydrophobicContact CE1-CB 4.08Å; Y82-F86 PolarHBondContact O-N 2.94Å; E83-F86 WeakPolarHBondContact O-CB 3.45Å; E83-F86 PolarHBondContact O-N 2.89Å; F86-Y88 VanDerWaalsContact C-N 3.26Å; F86-Y88 PolarHBondContact O-N 2.74Å; F86-K89 WeakPolarHBondContact O-CB 3.38Å; F86-K89 PolarHBondContact O-N 2.7Å; F86-K89 VanDerWaalsContact O-N 3.09Å; F86-V90 HydrophobicContact CD1-CG2 4.47Å; F86-V90 HydrophobicContact CE1-CG2 3.94Å; F86-V90 HydrophobicContact CE2-CG2 4.44Å; F86-V90 HydrophobicContact CZ-CG2 3.91Å; F86-V90 PolarHBondContact O-N 3.49Å; F86-V90 VanDerWaalsContact O-N 3.12Å; F86-C699 WeakPolarHBondContact CE2-SG 3.49Å; F86-C699 WeakPolarHBondContact CZ-SG 3.12Å |
| 87 | L | 89.5 | Confident | 89 | Confident | 42 Ų | 42 | 59.1 Ų | 59.1 | 22% | 0.22 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -62.4 | -33.2 | 176.8 | -69.5 | 174 | 0 | 0 | 0 | 112.1 | Y32 V41 E83 Y85 V90 Y91 | Y32-L87 HydrophobicContact CD1-CD1 4.05Å; Y32-L87 HydrophobicContact CD2-CD1 3.88Å; Y32-L87 HydrophobicContact CE1-CD1 4.31Å; Y32-L87 HydrophobicContact CE2-CD1 4.14Å; Y32-L87 HydrophobicContact CG-CD1 3.82Å; V41-L87 HydrophobicContact CG2-CB 4.23Å; V41-L87 HydrophobicContact CG2-CD1 3.6Å; E83-L87 HydrophobicContact CG-CD1 4.4Å; E83-L87 WeakPolarHBondContact O-CG 3.35Å; E83-L87 PolarHBondContact O-N 2.69Å; Y85-L87 PolarHBondContact O-N 2.92Å; L87-V90 PolarHBondContact O-N 3.14Å; L87-Y91 VanDerWaalsContact O-CB 3.25Å; L87-Y91 WeakPolarHBondContact O-CB 3.5Å; L87-Y91 PolarHBondContact O-N 3.22Å |
| 88 | Y | 89.8 | Confident | 88.4 | Confident | 13 Ų | 13 | 62.1 Ų | 62.1 | 5% | 0.051 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60.7 | -47.8 | 169.8 | 163.3 | -102.6 | 0 | 0 | 0 | 112.5 | P84 Y85 F86 V90 Y91 V92 F104 E105 L108 F193 | P84-Y88 PolarHBondContact O-N 3.05Å; P84-Y88 VanDerWaalsContact O-N 3.09Å; Y85-Y88 HydrophobicContact CD2-CD1 4.42Å; Y85-Y88 HydrophobicContact CE2-CD1 4.43Å; Y85-Y88 VanDerWaalsContact O-CB 3.3Å; Y85-Y88 WeakPolarHBondContact O-CB 3.45Å; Y85-Y88 PolarHBondContact O-N 2.78Å; F86-Y88 VanDerWaalsContact C-N 3.26Å; F86-Y88 PolarHBondContact O-N 2.74Å; Y88-V90 VanDerWaalsContact C-N 3.26Å; Y88-V90 PolarHBondContact O-N 3.35Å; Y88-Y91 WeakPolarHBondContact O-CA 3.33Å; Y88-Y91 WeakPolarHBondContact O-CB 3.44Å; Y88-Y91 PolarHBondContact O-N 2.78Å; Y88-V92 HydrophobicContact CD2-CG2 3.69Å; Y88-V92 HydrophobicContact CE1-CG2 4.27Å; Y88-V92 HydrophobicContact CE2-CG2 3.21Å; Y88-V92 HydrophobicContact CG-CG2 4.41Å; Y88-V92 WeakPolarHBondContact O-CG2 3.4Å; Y88-V92 PolarHBondContact O-N 2.68Å; Y88-F104 AromaticContact CD2-CD1 3.59Å; Y88-F104 HydrophobicContact CD2-CD1 3.59Å; Y88-F104 HydrophobicContact CD2-CE1 4.1Å; Y88-F104 HydrophobicContact CD2-CG 4.25Å; Y88-F104 HydrophobicContact CG-CD1 4.19Å; Y88-F104 HydrophobicContact CG-CE1 4.26Å; Y88-E105 HydrophobicContact CE2-CG 3.5Å; Y88-E105 PolarHBondContact OH-OE1 2.75Å; Y88-L108 VanDerWaalsContact CB-CD2 3.47Å; Y88-L108 HydrophobicContact CD1-CD2 3.84Å; Y88-L108 HydrophobicContact CD2-CD2 4.1Å; Y88-L108 HydrophobicContact CG-CD2 3.53Å; Y88-F193 HydrophobicContact CD1-CE1 4.36Å; Y88-F193 HydrophobicContact CD1-CZ 4.38Å; Y88-F193 AromaticContact CE1-CE1 3.63Å; Y88-F193 HydrophobicContact CE1-CE1 3.63Å; Y88-F193 HydrophobicContact CE1-CZ 4.07Å; Y88-F193 HydrophobicContact CE2-CE1 4.28Å; Y88-F193 AromaticContact CZ-CE1 3.58Å |
| 89 | K | 89.5 | Confident | 87.9 | Confident | 90 Ų | 90 | 64 Ų | 64 | 39% | 0.391 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.8 | -39.8 | 178.3 | -70.5 | -70.8 | -177.9 | -178.5 | 0 | 111.8 | Y85 F86 K93 D192 | Y85-K89 HydrophobicContact CE1-CG 4.12Å; Y85-K89 PolarHBondContact O-N 3.23Å; Y85-K89 VanDerWaalsContact O-N 3.08Å; Y85-K89 WeakPolarHBondContact OH-CE 3.28Å; Y85-K89 PolarHBondContact OH-NZ 2.76Å; F86-K89 WeakPolarHBondContact O-CB 3.38Å; F86-K89 PolarHBondContact O-N 2.7Å; F86-K89 VanDerWaalsContact O-N 3.09Å; K89-K93 PolarHBondContact O-N 2.88Å; K89-D192 WeakPolarHBondContact CE-OD2 3.31Å; K89-D192 IonicContact NZ-OD1 3.79Å; K89-D192 IonicContact NZ-OD2 2.98Å; K89-D192 PolarHBondContact NZ-OD2 2.93Å |
| 90 | V | 86.7 | Confident | 87.4 | Confident | 62 Ų | 62 | 68.6 Ų | 68.6 | 38% | 0.376 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -68.4 | -40.3 | 173.7 | 179.1 | 0 | 0 | 0 | 0 | 111.5 | F86 L87 Y88 N94 | F86-V90 HydrophobicContact CD1-CG2 4.47Å; F86-V90 HydrophobicContact CE1-CG2 3.94Å; F86-V90 HydrophobicContact CE2-CG2 4.44Å; F86-V90 HydrophobicContact CZ-CG2 3.91Å; F86-V90 PolarHBondContact O-N 3.49Å; F86-V90 VanDerWaalsContact O-N 3.12Å; L87-V90 PolarHBondContact O-N 3.14Å; Y88-V90 VanDerWaalsContact C-N 3.26Å; Y88-V90 PolarHBondContact O-N 3.35Å; V90-N94 PolarHBondContact O-N 2.92Å; V90-N94 PolarHBondContact O-ND2 3.33Å; V90-N94 VanDerWaalsContact O-ND2 3.13Å |
| 91 | Y | 85.2 | Confident | 87.1 | Confident | 18 Ų | 18 | 68.7 Ų | 68.7 | 7% | 0.071 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -62.4 | -49.7 | -180 | -178.4 | -98.5 | 0 | 0 | 0 | 112.1 | A37 I38 L87 Y88 K93 N94 N95 V101 F104 | A37-Y91 HydrophobicContact CB-CD2 3.79Å; A37-Y91 HydrophobicContact CB-CE2 4.45Å; I38-Y91 HydrophobicContact CD1-CE1 3.66Å; I38-Y91 HydrophobicContact CD1-CE2 4Å; I38-Y91 VanDerWaalsContact CD1-OH 3.24Å; I38-Y91 WeakPolarHBondContact CD1-OH 3.31Å; I38-Y91 HydrophobicContact CG1-CD2 4.21Å; I38-Y91 HydrophobicContact CG1-CE1 3.98Å; I38-Y91 HydrophobicContact CG1-CE2 3.51Å; I38-Y91 VanDerWaalsContact CG1-CZ 3.43Å; L87-Y91 VanDerWaalsContact O-CB 3.25Å; L87-Y91 WeakPolarHBondContact O-CB 3.5Å; L87-Y91 PolarHBondContact O-N 3.22Å; Y88-Y91 WeakPolarHBondContact O-CA 3.33Å; Y88-Y91 WeakPolarHBondContact O-CB 3.44Å; Y88-Y91 PolarHBondContact O-N 2.78Å; Y91-K93 VanDerWaalsContact C-N 3.32Å; Y91-K93 PolarHBondContact O-N 3.28Å; Y91-N94 PolarHBondContact O-N 3.35Å; Y91-N94 VanDerWaalsContact O-N 3.13Å; Y91-N95 HydrophobicContact CD1-CB 4.48Å; Y91-N95 WeakPolarHBondContact CD2-ND2 3.45Å; Y91-N95 HydrophobicContact CE1-CB 3.94Å; Y91-N95 HydrophobicContact CE2-CB 4.27Å; Y91-N95 WeakPolarHBondContact CE2-ND2 3.41Å; Y91-N95 WeakPolarHBondContact O-CB 3.48Å; Y91-N95 PolarHBondContact O-N 3.48Å; Y91-N95 VanDerWaalsContact O-N 3.08Å; Y91-N95 PolarHBondContact O-ND2 3.41Å; Y91-N95 PolarHBondContact OH-OD1 3.43Å; Y91-V101 HydrophobicContact CE1-CG2 4.17Å; Y91-F104 HydrophobicContact CD1-CD2 4.2Å; Y91-F104 HydrophobicContact CG-CD2 4.43Å |
| 92 | V | 85.3 | Confident | 86.9 | Confident | 45 Ų | 45 | 72.9 Ų | 72.9 | 27% | 0.273 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -63.4 | -37.1 | -178.9 | 174.5 | 0 | 0 | 0 | 0 | 111.9 | Y88 N94 N95 V101 | Y88-V92 HydrophobicContact CD2-CG2 3.69Å; Y88-V92 HydrophobicContact CE1-CG2 4.27Å; Y88-V92 HydrophobicContact CE2-CG2 3.21Å; Y88-V92 HydrophobicContact CG-CG2 4.41Å; Y88-V92 WeakPolarHBondContact O-CG2 3.4Å; Y88-V92 PolarHBondContact O-N 2.68Å; V92-N94 PolarHBondContact O-N 3.2Å; V92-N95 PolarHBondContact O-N 2.98Å; V92-V101 HydrophobicContact CG2-CG1 3.88Å; V92-V101 HydrophobicContact CG2-CG2 4.41Å |
| 93 | K | 84.3 | Confident | 86.5 | Confident | 180 Ų | 180 | 74.2 Ų | 74.2 | 78% | 0.783 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -62.5 | -27 | 177.2 | -170.7 | 176 | 178.4 | -178.2 | 0 | 113 | K89 Y91 | K89-K93 PolarHBondContact O-N 2.88Å; Y91-K93 VanDerWaalsContact C-N 3.32Å; Y91-K93 PolarHBondContact O-N 3.28Å |
| 94 | N | 80.4 | Confident | 86.3 | Confident | 116 Ų | 116 | 72.5 Ų | 72.5 | 62% | 0.62 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -108.5 | -0.8 | -174.5 | -64.8 | -36.2 | 0 | 0 | 0 | 113.9 | V90 Y91 V92 | V90-N94 PolarHBondContact O-N 2.92Å; V90-N94 PolarHBondContact O-ND2 3.33Å; V90-N94 VanDerWaalsContact O-ND2 3.13Å; Y91-N94 PolarHBondContact O-N 3.35Å; Y91-N94 VanDerWaalsContact O-N 3.13Å; V92-N94 PolarHBondContact O-N 3.2Å |
| 95 | N | 78.9 | Confident | 86.3 | Confident | 45 Ų | 45 | 73.1 Ų | 73.1 | 24% | 0.241 | 35% | 0.354 | C | S | . | . | trans | -131.6 | 119.6 | -177.2 | -70.5 | -92 | 0 | 0 | 0 | 111.6 | Y91 V92 | Y91-N95 HydrophobicContact CD1-CB 4.48Å; Y91-N95 WeakPolarHBondContact CD2-ND2 3.45Å; Y91-N95 HydrophobicContact CE1-CB 3.94Å; Y91-N95 HydrophobicContact CE2-CB 4.27Å; Y91-N95 WeakPolarHBondContact CE2-ND2 3.41Å; Y91-N95 WeakPolarHBondContact O-CB 3.48Å; Y91-N95 PolarHBondContact O-N 3.48Å; Y91-N95 VanDerWaalsContact O-N 3.08Å; Y91-N95 PolarHBondContact O-ND2 3.41Å; Y91-N95 PolarHBondContact OH-OD1 3.43Å; V92-N95 PolarHBondContact O-N 2.98Å | ||
| 96 | D | 76.1 | Confident | 86.2 | Confident | 159 Ų | 159 | 76.2 Ų | 76.2 | 85% | 0.85 | 37% | 0.372 | S | S | * | . | trans | -91.6 | -1.8 | 178.5 | -64.4 | -43.9 | 0 | 0 | 0 | 113.8 | Q98 | D96-Q98 PolarHBondContact O-N 3.26Š| ||
| 97 | Q | 83.3 | Confident | 86.2 | Confident | 103 Ų | 103 | 75.9 Ų | 75.9 | 48% | 0.481 | 37% | 0.371 | S | S | . | . | trans | -81.6 | 101.3 | -177.8 | -71.5 | -179.8 | -8 | 0 | 0 | 111.5 | D99 R100 V101 | Q97-D99 PolarHBondContact O-N 2.88Å; Q97-R100 HydrophobicContact CB-CB 4.33Å; Q97-R100 HydrophobicContact CB-CG 4.35Å; Q97-R100 PolarHBondContact O-N 3.43Å; Q97-V101 WeakPolarHBondContact O-CG2 3.46Å; Q97-V101 PolarHBondContact O-N 3.41Å; Q97-V101 VanDerWaalsContact O-N 3.12Å | ||
| 98 | Q | 84.5 | Confident | 86.4 | Confident | 92 Ų | 92 | 73.9 Ų | 73.9 | 43% | 0.43 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -55.4 | -42.7 | -175.1 | -173.1 | 64 | 8.6 | 0 | 0 | 113.8 | D96 R100 V101 K102 R657 | D96-Q98 PolarHBondContact O-N 3.26Å; Q98-R100 VanDerWaalsContact C-N 3.31Å; Q98-R100 PolarHBondContact O-N 2.95Å; Q98-V101 PolarHBondContact O-N 3.48Å; Q98-K102 WeakPolarHBondContact O-CB 3.47Å; Q98-K102 PolarHBondContact O-N 3.29Å; Q98-R657 VanDerWaalsContact OE1-CZ 3.31Å |
| 99 | D | 84.8 | Confident | 86.6 | Confident | 144 Ų | 144 | 74.3 Ų | 74.3 | 77% | 0.77 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -61.7 | -39.6 | -179 | -58.6 | -26.2 | 0 | 0 | 0 | 112.4 | Q97 L103 | Q97-D99 PolarHBondContact O-N 2.88Å; D99-L103 WeakPolarHBondContact O-CB 3.47Å; D99-L103 PolarHBondContact O-N 3.13Å |
| 100 | R | 83.8 | Confident | 86.7 | Confident | 135 Ų | 135 | 74.9 Ų | 74.9 | 51% | 0.509 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -71.8 | -38.4 | 178.2 | -68.8 | -166.2 | -176.5 | 173.5 | 6.7 | 111.8 | I38 Q97 Q98 F104 | I38-R100 HydrophobicContact CD1-CB 3.86Å; I38-R100 WeakPolarHBondContact CD1-O 3.3Å; Q97-R100 HydrophobicContact CB-CB 4.33Å; Q97-R100 HydrophobicContact CB-CG 4.35Å; Q97-R100 PolarHBondContact O-N 3.43Å; Q98-R100 VanDerWaalsContact C-N 3.31Å; Q98-R100 PolarHBondContact O-N 2.95Å; R100-F104 PolarHBondContact O-N 3.11Å; R100-F104 VanDerWaalsContact O-N 3.09Å |
| 101 | V | 87.6 | Confident | 87 | Confident | 3 Ų | 3 | 72.7 Ų | 72.7 | 2% | 0.018 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -61.9 | -48 | 174.3 | 171.5 | 0 | 0 | 0 | 0 | 109.8 | Y91 V92 Q97 Q98 L103 F104 E105 | Y91-V101 HydrophobicContact CE1-CG2 4.17Å; V92-V101 HydrophobicContact CG2-CG1 3.88Å; V92-V101 HydrophobicContact CG2-CG2 4.41Å; Q97-V101 WeakPolarHBondContact O-CG2 3.46Å; Q97-V101 PolarHBondContact O-N 3.41Å; Q97-V101 VanDerWaalsContact O-N 3.12Å; Q98-V101 PolarHBondContact O-N 3.48Å; V101-L103 PolarHBondContact O-N 3.31Å; V101-F104 WeakPolarHBondContact O-CB 3.37Å; V101-F104 PolarHBondContact O-N 2.9Å; V101-F104 VanDerWaalsContact O-N 3.09Å; V101-E105 HydrophobicContact CG1-CG 4.36Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.47Å; V101-E105 WeakPolarHBondContact O-CG 2.88Å; V101-E105 PolarHBondContact O-N 2.74Å |
| 102 | K | 89.2 | Confident | 87.5 | Confident | 92 Ų | 92 | 71.9 Ų | 71.9 | 40% | 0.4 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -63.4 | -40 | 179.8 | -171.4 | 59.2 | 176.5 | 175.4 | 0 | 112.8 | Q98 F104 E105 N106 | Q98-K102 WeakPolarHBondContact O-CB 3.47Å; Q98-K102 PolarHBondContact O-N 3.29Å; K102-F104 VanDerWaalsContact C-N 3.31Å; K102-F104 PolarHBondContact O-N 2.97Å; K102-E105 WeakPolarHBondContact CD-OE2 3.27Å; K102-E105 PolarHBondContact O-N 3Å; K102-N106 VanDerWaalsContact O-CG 3.31Å; K102-N106 PolarHBondContact O-N 2.59Å; K102-N106 PolarHBondContact O-OD1 3.41Å |
| 103 | L | 88.1 | Confident | 87.7 | Confident | 97 Ų | 97 | 72.4 Ų | 72.4 | 51% | 0.508 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -60.4 | -41.4 | 173.2 | -178.6 | 65 | 0 | 0 | 0 | 111.8 | D99 V101 M107 | D99-L103 WeakPolarHBondContact O-CB 3.47Å; D99-L103 PolarHBondContact O-N 3.13Å; V101-L103 PolarHBondContact O-N 3.31Å; L103-M107 HydrophobicContact CG-CE 4.12Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.26Å |
| 104 | F | 89.2 | Confident | 88.1 | Confident | 0 Ų | 0 | 66 Ų | 66 | 0% | 0 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -64.3 | -45.8 | 175.4 | -159.7 | -65.6 | 0 | 0 | 0 | 111.4 | I38 V41 F42 Y88 Y91 R100 V101 K102 N106 M107 L108 | I38-F104 HydrophobicContact CB-CD2 4.22Å; I38-F104 HydrophobicContact CD1-CB 4.47Å; I38-F104 HydrophobicContact CD1-CD2 4.17Å; I38-F104 HydrophobicContact CG1-CD2 3.81Å; I38-F104 HydrophobicContact CG1-CE2 4.41Å; I38-F104 HydrophobicContact CG2-CD2 4.36Å; V41-F104 HydrophobicContact CB-CZ 4.26Å; V41-F104 HydrophobicContact CG1-CZ 4.21Å; V41-F104 HydrophobicContact CG2-CZ 4.37Å; F42-F104 AromaticContact CE2-CD1 3.99Å; F42-F104 HydrophobicContact CE2-CD1 3.99Å; F42-F104 AromaticContact CE2-CE1 3.55Å; F42-F104 HydrophobicContact CE2-CE1 3.55Å; F42-F104 HydrophobicContact CE2-CE2 4.36Å; F42-F104 AromaticContact CE2-CZ 3.79Å; F42-F104 HydrophobicContact CE2-CZ 3.79Å; F42-F104 HydrophobicContact CZ-CE1 4.15Å; Y88-F104 AromaticContact CD2-CD1 3.59Å; Y88-F104 HydrophobicContact CD2-CD1 3.59Å; Y88-F104 HydrophobicContact CD2-CE1 4.1Å; Y88-F104 HydrophobicContact CD2-CG 4.25Å; Y88-F104 HydrophobicContact CG-CD1 4.19Å; Y88-F104 HydrophobicContact CG-CE1 4.26Å; Y91-F104 HydrophobicContact CD1-CD2 4.2Å; Y91-F104 HydrophobicContact CG-CD2 4.43Å; R100-F104 PolarHBondContact O-N 3.11Å; R100-F104 VanDerWaalsContact O-N 3.09Å; V101-F104 WeakPolarHBondContact O-CB 3.37Å; V101-F104 PolarHBondContact O-N 2.9Å; V101-F104 VanDerWaalsContact O-N 3.09Å; K102-F104 VanDerWaalsContact C-N 3.31Å; K102-F104 PolarHBondContact O-N 2.97Å; F104-N106 VanDerWaalsContact C-N 3.31Å; F104-N106 PolarHBondContact O-N 3.36Å; F104-M107 PolarHBondContact O-N 2.93Å; F104-L108 HydrophobicContact CD1-CB 4.2Å; F104-L108 HydrophobicContact CD1-CD2 4.37Å; F104-L108 HydrophobicContact CE1-CB 4.33Å; F104-L108 HydrophobicContact CE1-CD2 4.2Å; F104-L108 VanDerWaalsContact O-CB 3.29Å; F104-L108 WeakPolarHBondContact O-CB 3.47Å; F104-L108 PolarHBondContact O-N 2.93Å |
| 105 | E | 92.4 | Very high | 88.8 | Confident | 13 Ų | 13 | 60.5 Ų | 60.5 | 6% | 0.061 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.1 | -45.5 | 177.5 | -71.3 | 170.3 | 174.2 | 0 | 0 | 111.2 | Y88 V101 K102 L108 A109 F193 | Y88-E105 HydrophobicContact CE2-CG 3.5Å; Y88-E105 PolarHBondContact OH-OE1 2.75Å; V101-E105 HydrophobicContact CG1-CG 4.36Å; V101-E105 WeakPolarHBondContact CG1-OE1 3.47Å; V101-E105 WeakPolarHBondContact O-CG 2.88Å; V101-E105 PolarHBondContact O-N 2.74Å; K102-E105 WeakPolarHBondContact CD-OE2 3.27Å; K102-E105 PolarHBondContact O-N 3Å; E105-L108 PolarHBondContact O-N 3.32Å; E105-A109 WeakPolarHBondContact O-CB 3.07Å; E105-A109 PolarHBondContact O-N 3.41Å; E105-F193 HydrophobicContact CB-CD1 4.08Å; E105-F193 HydrophobicContact CB-CE1 4.39Å; E105-F193 HydrophobicContact CG-CD1 3.84Å; E105-F193 HydrophobicContact CG-CE1 3.93Å |
| 106 | N | 91.2 | Very high | 89.4 | Confident | 86 Ų | 86 | 58.4 Ų | 58.4 | 46% | 0.46 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.1 | -45.2 | 178.2 | -68.2 | -3.3 | 0 | 0 | 0 | 112.1 | K102 F104 L108 A109 V110 | K102-N106 VanDerWaalsContact O-CG 3.31Å; K102-N106 PolarHBondContact O-N 2.59Å; K102-N106 PolarHBondContact O-OD1 3.41Å; F104-N106 VanDerWaalsContact C-N 3.31Å; F104-N106 PolarHBondContact O-N 3.36Å; N106-L108 VanDerWaalsContact C-N 3.31Å; N106-L108 PolarHBondContact O-N 2.91Å; N106-A109 PolarHBondContact O-N 3.12Å; N106-V110 WeakPolarHBondContact O-CG2 2.89Å; N106-V110 PolarHBondContact O-N 3.28Å |
| 107 | M | 91.2 | Very high | 89.9 | Confident | 58 Ų | 58 | 52 Ų | 52 | 29% | 0.286 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.9 | -37.8 | 176.1 | -70.4 | -171.9 | -69 | 0 | 0 | 112.1 | I38 F42 L103 F104 H111 | I38-M107 HydrophobicContact CG2-CE 3.77Å; F42-M107 HydrophobicContact CB-SD 4.05Å; F42-M107 HydrophobicContact CD1-CB 4.49Å; F42-M107 HydrophobicContact CD2-CB 3.68Å; F42-M107 HydrophobicContact CD2-CE 3.94Å; F42-M107 HydrophobicContact CD2-CG 4.48Å; F42-M107 HydrophobicContact CD2-SD 4.06Å; F42-M107 HydrophobicContact CE2-CB 3.76Å; F42-M107 HydrophobicContact CG-CB 4.06Å; F42-M107 HydrophobicContact CG-SD 4.29Å; F42-M107 HydrophobicContact CZ-CB 4.24Å; L103-M107 HydrophobicContact CG-CE 4.12Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.26Å; F104-M107 PolarHBondContact O-N 2.93Å; M107-H111 PolarHBondContact O-N 3.21Å; M107-H111 VanDerWaalsContact O-N 3.09Å |
| 108 | L | 93.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -71.4 | -37.3 | 178.3 | -177.1 | 57.3 | 0 | 0 | 0 | 112.1 | F42 P84 Y85 Y88 F104 E105 N106 H111 I112 F193 | F42-L108 HydrophobicContact CE2-CB 4.45Å; F42-L108 HydrophobicContact CZ-CB 3.97Å; F42-L108 HydrophobicContact CZ-CD1 4.05Å; P84-L108 HydrophobicContact CB-CD1 4.31Å; Y85-L108 HydrophobicContact CD2-CD2 4.05Å; Y88-L108 VanDerWaalsContact CB-CD2 3.47Å; Y88-L108 HydrophobicContact CD1-CD2 3.84Å; Y88-L108 HydrophobicContact CD2-CD2 4.1Å; Y88-L108 HydrophobicContact CG-CD2 3.53Å; F104-L108 HydrophobicContact CD1-CB 4.2Å; F104-L108 HydrophobicContact CD1-CD2 4.37Å; F104-L108 HydrophobicContact CE1-CB 4.33Å; F104-L108 HydrophobicContact CE1-CD2 4.2Å; F104-L108 VanDerWaalsContact O-CB 3.29Å; F104-L108 WeakPolarHBondContact O-CB 3.47Å; F104-L108 PolarHBondContact O-N 2.93Å; E105-L108 PolarHBondContact O-N 3.32Å; N106-L108 VanDerWaalsContact C-N 3.31Å; N106-L108 PolarHBondContact O-N 2.91Å; L108-H111 WeakPolarHBondContact O-CB 3.44Å; L108-H111 PolarHBondContact O-N 3.08Å; L108-I112 HydrophobicContact CD1-CD1 4.26Å; L108-I112 HydrophobicContact CD1-CG1 4.24Å; L108-I112 HydrophobicContact CG-CD1 4.02Å; L108-I112 HydrophobicContact CG-CG1 4.45Å; L108-I112 VanDerWaalsContact O-CG1 3.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.19Å; L108-I112 PolarHBondContact O-N 3.3Å; L108-F193 HydrophobicContact CB-CE2 4.42Å; L108-F193 HydrophobicContact CB-CZ 4.49Å; L108-F193 HydrophobicContact CD2-CE2 4.12Å; L108-F193 HydrophobicContact CD2-CZ 3.57Å; L108-F193 HydrophobicContact CG-CE2 4.02Å; L108-F193 HydrophobicContact CG-CZ 4Å |
| 109 | A | 93.3 | Very high | 90.8 | Very high | 22 Ų | 22 | 44 Ų | 44 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.5 | -47.7 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | E105 N106 H111 I112 L113 L190 F193 | E105-A109 WeakPolarHBondContact O-CB 3.07Å; E105-A109 PolarHBondContact O-N 3.41Å; N106-A109 PolarHBondContact O-N 3.12Å; A109-H111 VanDerWaalsContact C-N 3.3Å; A109-H111 PolarHBondContact O-N 3.11Å; A109-I112 PolarHBondContact O-N 3.18Å; A109-L113 WeakPolarHBondContact O-CG 3.47Å; A109-L113 PolarHBondContact O-N 3.03Å; A109-L190 HydrophobicContact CB-CD2 4.21Å; A109-F193 HydrophobicContact CB-CD2 4.16Å |
| 110 | V | 91.9 | Very high | 90.9 | Very high | 102 Ų | 102 | 38.3 Ų | 38.3 | 62% | 0.618 | 20% | 0.201 | S | C | * | . | H | α-helix | trans | -60.1 | -41.1 | 174.6 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | N106 L113 S114 | N106-V110 WeakPolarHBondContact O-CG2 2.89Å; N106-V110 PolarHBondContact O-N 3.28Å; V110-L113 PolarHBondContact O-N 2.9Å; V110-S114 PolarHBondContact O-N 3.06Å |
| 111 | H | 93.5 | Very high | 91 | Very high | 17 Ų | 17 | 34.3 Ų | 34.3 | 8% | 0.079 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -63.2 | -43.4 | 176.4 | 176.5 | 57.9 | 0 | 0 | 0 | 112.8 | F42 R50 A80 F81 M107 L108 A109 S114 A115 | F42-H111 HydrophobicContact CE1-CB 3.72Å; F42-H111 HydrophobicContact CZ-CB 4.39Å; R50-H111 PolarHBondContact NH1-CE1 3.35Å; R50-H111 PolarHBondContact NH1-ND1 2.94Å; R50-H111 PolarHBondContact NH1-NE2 3.48Å; A80-H111 PolarHBondContact O-CE1 3.24Å; A80-H111 VanDerWaalsContact O-CE1 3.28Å; A80-H111 PolarHBondContact O-NE2 2.89Å; F81-H111 AromaticContact CD1-CE1 3.74Å; F81-H111 AromaticContact CD1-NE2 3.97Å; M107-H111 PolarHBondContact O-N 3.21Å; M107-H111 VanDerWaalsContact O-N 3.09Å; L108-H111 WeakPolarHBondContact O-CB 3.44Å; L108-H111 PolarHBondContact O-N 3.08Å; A109-H111 VanDerWaalsContact C-N 3.3Å; A109-H111 PolarHBondContact O-N 3.11Å; H111-S114 WeakPolarHBondContact O-CB 3.49Å; H111-S114 PolarHBondContact O-N 3.35Å; H111-S114 PolarHBondContact O-OG 3.16Å; H111-A115 PolarHBondContact O-N 3.3Å |
| 112 | I | 95.2 | Very high | 91.1 | Very high | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.1 | -42.7 | 177.7 | -71.4 | 170.5 | 0 | 0 | 0 | 110.9 | Y85 L108 A109 S114 A115 I116 L186 L190 F193 | Y85-I112 HydrophobicContact CD2-CD1 4.48Å; L108-I112 HydrophobicContact CD1-CD1 4.26Å; L108-I112 HydrophobicContact CD1-CG1 4.24Å; L108-I112 HydrophobicContact CG-CD1 4.02Å; L108-I112 HydrophobicContact CG-CG1 4.45Å; L108-I112 VanDerWaalsContact O-CG1 3.32Å; L108-I112 WeakPolarHBondContact O-CG1 3.19Å; L108-I112 PolarHBondContact O-N 3.3Å; A109-I112 PolarHBondContact O-N 3.18Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.42Å; I112-A115 WeakPolarHBondContact O-CA 3.35Å; I112-A115 VanDerWaalsContact O-CB 3.28Å; I112-A115 WeakPolarHBondContact O-CB 3.48Å; I112-A115 PolarHBondContact O-N 3.31Å; I112-I116 HydrophobicContact CG2-CD1 4.08Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.27Å; I112-L186 HydrophobicContact CG1-CD2 4.4Å; I112-L186 HydrophobicContact CG2-CB 3.89Å; I112-L186 HydrophobicContact CG2-CD2 4Å; I112-L186 WeakPolarHBondContact CG2-O 3.35Å; I112-L190 HydrophobicContact CB-CD2 4.06Å; I112-L190 HydrophobicContact CD1-CD2 4.26Å; I112-L190 HydrophobicContact CG2-CD1 4.06Å; I112-L190 HydrophobicContact CG2-CD2 3.81Å; I112-L190 HydrophobicContact CG2-CG 3.71Å; I112-F193 HydrophobicContact CD1-CE2 3.8Å |
| 113 | L | 90.8 | Very high | 90.9 | Very high | 55 Ų | 55 | 29.9 Ų | 29.9 | 29% | 0.288 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -58.8 | -40 | 173.9 | -70 | 171.7 | 0 | 0 | 0 | 111.7 | A109 V110 A115 I116 G117 L146 L190 | A109-L113 WeakPolarHBondContact O-CG 3.47Å; A109-L113 PolarHBondContact O-N 3.03Å; V110-L113 PolarHBondContact O-N 2.9Å; L113-A115 VanDerWaalsContact C-N 3.28Å; L113-A115 PolarHBondContact O-N 3.4Å; L113-I116 HydrophobicContact CD2-CD1 4.39Å; L113-I116 PolarHBondContact O-N 2.92Å; L113-G117 PolarHBondContact O-N 2.9Å; L113-G117 VanDerWaalsContact O-N 3.1Å; L113-L146 HydrophobicContact CD2-CD2 4.01Å; L113-L190 HydrophobicContact CD2-CD1 4.11Å |
| 114 | S | 91.9 | Very high | 90.5 | Very high | 47 Ų | 47 | 29.2 Ų | 29.2 | 33% | 0.329 | 17% | 0.171 | S | C | . | . | H | α-helix | trans | -64.2 | -32 | 173.9 | 83 | 0 | 0 | 0 | 0 | 113.2 | V110 H111 I112 Y118 | V110-S114 PolarHBondContact O-N 3.06Å; H111-S114 WeakPolarHBondContact O-CB 3.49Å; H111-S114 PolarHBondContact O-N 3.35Å; H111-S114 PolarHBondContact O-OG 3.16Å; I112-S114 VanDerWaalsContact C-N 3.27Å; I112-S114 PolarHBondContact O-N 3.42Å; S114-Y118 WeakPolarHBondContact O-CB 3.42Å; S114-Y118 PolarHBondContact O-N 3.16Å; S114-Y118 VanDerWaalsContact O-N 3.09Å |
| 115 | A | 95 | Very high | 90.2 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -71.4 | -40.9 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | F81 H111 I112 L113 Y118 Y119 L186 | F81-A115 HydrophobicContact CB-CB 4.27Å; F81-A115 HydrophobicContact CD1-CB 3.19Å; F81-A115 HydrophobicContact CD2-CB 4.28Å; F81-A115 VanDerWaalsContact CE1-CA 3.44Å; F81-A115 HydrophobicContact CE1-CB 3.35Å; F81-A115 HydrophobicContact CE2-CB 4.4Å; F81-A115 HydrophobicContact CG-CB 3.68Å; F81-A115 HydrophobicContact CZ-CB 3.96Å; H111-A115 PolarHBondContact O-N 3.3Å; I112-A115 WeakPolarHBondContact O-CA 3.35Å; I112-A115 VanDerWaalsContact O-CB 3.28Å; I112-A115 WeakPolarHBondContact O-CB 3.48Å; I112-A115 PolarHBondContact O-N 3.31Å; L113-A115 VanDerWaalsContact C-N 3.28Å; L113-A115 PolarHBondContact O-N 3.4Å; A115-Y118 WeakPolarHBondContact O-CB 3.28Å; A115-Y118 PolarHBondContact O-N 3.49Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 2.86Å; A115-L186 HydrophobicContact CB-CD1 3.59Å; A115-L186 HydrophobicContact CB-CD2 3.79Å; A115-L186 HydrophobicContact CB-CG 4.35Å |
| 116 | I | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 29.6 Ų | 29.6 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -59.1 | -51.3 | 175.5 | -67.7 | 165 | 0 | 0 | 0 | 109.6 | I112 L113 Y118 Y119 Q120 I183 L186 F187 L190 | I112-I116 HydrophobicContact CG2-CD1 4.08Å; I112-I116 WeakPolarHBondContact O-CG1 3.38Å; I112-I116 PolarHBondContact O-N 3.27Å; L113-I116 HydrophobicContact CD2-CD1 4.39Å; L113-I116 PolarHBondContact O-N 2.92Å; I116-Y118 VanDerWaalsContact C-N 3.28Å; I116-Y118 PolarHBondContact O-N 3.21Å; I116-Y119 PolarHBondContact O-N 3.16Å; I116-Q120 HydrophobicContact CG2-CG 4.44Å; I116-Q120 WeakPolarHBondContact O-CB 3.33Å; I116-Q120 VanDerWaalsContact O-CG 3.31Å; I116-Q120 WeakPolarHBondContact O-CG 3.41Å; I116-Q120 PolarHBondContact O-N 3.11Å; I116-I183 HydrophobicContact CG2-CG2 4.16Å; I116-L186 HydrophobicContact CD1-CB 4.13Å; I116-L186 HydrophobicContact CG1-CB 3.68Å; I116-L186 HydrophobicContact CG1-CD1 3.95Å; I116-L186 HydrophobicContact CG1-CG 4.43Å; I116-F187 HydrophobicContact CD1-CD1 4.05Å; I116-F187 HydrophobicContact CD1-CD2 4.27Å; I116-F187 HydrophobicContact CD1-CE1 3.8Å; I116-F187 HydrophobicContact CD1-CE2 4.03Å; I116-F187 HydrophobicContact CD1-CG 4.27Å; I116-F187 HydrophobicContact CD1-CZ 3.8Å; I116-F187 HydrophobicContact CG1-CE2 4.42Å; I116-F187 HydrophobicContact CG2-CE2 4.06Å; I116-F187 HydrophobicContact CG2-CZ 4.04Å; I116-L190 HydrophobicContact CD1-CD1 4.02Å |
| 117 | G | 87.3 | Confident | 89 | Confident | 26 Ų | 26 | 27.6 Ų | 27.6 | 27% | 0.268 | 16% | 0.164 | S | C | . | . | H | α-helix | trans | -60 | -37.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113 | L113 Q120 S121 | L113-G117 PolarHBondContact O-N 2.9Å; L113-G117 VanDerWaalsContact O-N 3.1Å; G117-Q120 PolarHBondContact O-N 2.96Å; G117-S121 PolarHBondContact O-N 3.45Å |
| 118 | Y | 92.1 | Very high | 88.2 | Confident | 26 Ų | 26 | 26.3 Ų | 26.3 | 10% | 0.102 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -62.7 | -51 | 175.4 | 177.1 | -95.8 | 0 | 0 | 0 | 112.5 | K54 Q58 I76 F81 S114 A115 I116 Q120 S121 L122 | K54-Y118 HydrophobicContact CB-CE2 4.34Å; K54-Y118 HydrophobicContact CD-CD2 4.47Å; K54-Y118 HydrophobicContact CD-CE2 4.46Å; Q58-Y118 VanDerWaalsContact OE1-CE2 3.3Å; Q58-Y118 PolarHBondContact OE1-OH 2.9Å; I76-Y118 HydrophobicContact CG2-CE1 3.77Å; F81-Y118 AromaticContact CE2-CD1 3.48Å; F81-Y118 HydrophobicContact CE2-CD1 3.48Å; F81-Y118 VanDerWaalsContact CE2-CD1 3.48Å; F81-Y118 AromaticContact CE2-CE1 3.97Å; F81-Y118 HydrophobicContact CE2-CE1 3.97Å; F81-Y118 HydrophobicContact CE2-CG 4.16Å; F81-Y118 AromaticContact CZ-CD1 3.57Å; F81-Y118 HydrophobicContact CZ-CD1 3.57Å; F81-Y118 HydrophobicContact CZ-CE1 4.31Å; F81-Y118 AromaticContact CZ-CG 3.75Å; F81-Y118 HydrophobicContact CZ-CG 3.75Å; S114-Y118 WeakPolarHBondContact O-CB 3.42Å; S114-Y118 PolarHBondContact O-N 3.16Å; S114-Y118 VanDerWaalsContact O-N 3.09Å; A115-Y118 WeakPolarHBondContact O-CB 3.28Å; A115-Y118 PolarHBondContact O-N 3.49Å; I116-Y118 VanDerWaalsContact C-N 3.28Å; I116-Y118 PolarHBondContact O-N 3.21Å; Y118-Q120 VanDerWaalsContact C-N 3.33Å; Y118-Q120 PolarHBondContact O-N 2.89Å; Y118-S121 PolarHBondContact O-N 3.32Å; Y118-S121 PolarHBondContact O-OG 3.37Å; Y118-L122 HydrophobicContact CD1-CD1 4.07Å; Y118-L122 HydrophobicContact CD1-CG 4.49Å; Y118-L122 HydrophobicContact CE1-CD1 3.36Å; Y118-L122 HydrophobicContact CE1-CG 3.97Å; Y118-L122 PolarHBondContact O-N 3.47Å |
| 119 | Y | 93.4 | Very high | 87.4 | Confident | 1 Ų | 1 | 28.1 Ų | 28.1 | 0% | 0.004 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66.3 | -34.5 | 178.7 | -79.1 | -69.4 | 0 | 0 | 0 | 112.6 | W77 F81 A115 I116 S121 L122 I123 C179 N182 I183 L186 | W77-Y119 VanDerWaalsContact CA-OH 3.3Å; W77-Y119 WeakPolarHBondContact CA-OH 3.38Å; W77-Y119 WeakPolarHBondContact CB-OH 3.27Å; W77-Y119 AromaticContact CE3-CE2 3.98Å; W77-Y119 HydrophobicContact CE3-CE2 3.98Å; W77-Y119 HydrophobicContact CZ3-CE2 4.31Å; W77-Y119 PolarHBondContact N-OH 2.8Å; F81-Y119 AromaticContact CD2-CE2 3.58Å; F81-Y119 HydrophobicContact CD2-CE2 3.58Å; F81-Y119 HydrophobicContact CE2-CD2 4.37Å; F81-Y119 AromaticContact CE2-CE2 3.74Å; F81-Y119 HydrophobicContact CE2-CE2 3.74Å; A115-Y119 WeakPolarHBondContact O-CD2 3.48Å; A115-Y119 PolarHBondContact O-N 2.86Å; I116-Y119 PolarHBondContact O-N 3.16Å; Y119-S121 VanDerWaalsContact C-N 3.34Å; Y119-L122 HydrophobicContact CD1-CD1 4.08Å; Y119-L122 HydrophobicContact CE1-CD1 4.39Å; Y119-L122 PolarHBondContact O-N 2.82Å; Y119-I123 WeakPolarHBondContact O-CG1 3.22Å; Y119-I123 PolarHBondContact O-N 2.91Å; Y119-C179 HydrophobicContact CD1-CB 4.07Å; Y119-N182 HydrophobicContact CD2-CB 4.33Å; Y119-N182 HydrophobicContact CE1-CB 4.33Å; Y119-N182 WeakPolarHBondContact CE1-ND2 3.31Å; Y119-N182 HydrophobicContact CE2-CB 4.06Å; Y119-N182 PolarHBondContact OH-ND2 2.97Å; Y119-I183 HydrophobicContact CG-CG1 4.37Å; Y119-L186 HydrophobicContact CD2-CD1 3.86Å; Y119-L186 HydrophobicContact CE2-CD1 4.2Å |
| 120 | Q | 87.7 | Confident | 86.3 | Confident | 23 Ų | 23 | 28.3 Ų | 28.3 | 11% | 0.107 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -60.3 | -44.1 | 171.5 | -73.6 | 172 | -20.1 | 0 | 0 | 111.4 | I116 G117 Y118 L122 I123 L124 L146 I183 Y205 | I116-Q120 HydrophobicContact CG2-CG 4.44Å; I116-Q120 WeakPolarHBondContact O-CB 3.33Å; I116-Q120 VanDerWaalsContact O-CG 3.31Å; I116-Q120 WeakPolarHBondContact O-CG 3.41Å; I116-Q120 PolarHBondContact O-N 3.11Å; G117-Q120 PolarHBondContact O-N 2.96Å; Y118-Q120 VanDerWaalsContact C-N 3.33Å; Y118-Q120 PolarHBondContact O-N 2.89Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.04Å; Q120-I123 PolarHBondContact O-N 3.19Å; Q120-L124 PolarHBondContact O-N 2.91Å; Q120-L124 VanDerWaalsContact O-N 3.15Å; Q120-L146 PolarHBondContact OE1-O 3.46Å; Q120-I183 HydrophobicContact CG-CD1 4.05Å; Q120-Y205 PolarHBondContact NE2-OH 3.07Å |
| 121 | S | 86.6 | Confident | 84.9 | Confident | 51 Ų | 51 | 24.5 Ų | 24.5 | 36% | 0.357 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63.8 | -35.8 | 175.8 | 75.7 | 0 | 0 | 0 | 0 | 112.9 | G117 Y118 Y119 L124 A125 | G117-S121 PolarHBondContact O-N 3.45Å; Y118-S121 PolarHBondContact O-N 3.32Å; Y118-S121 PolarHBondContact O-OG 3.37Å; Y119-S121 VanDerWaalsContact C-N 3.34Å; S121-L124 PolarHBondContact O-N 3.38Å; S121-A125 PolarHBondContact O-N 3.32Å |
| 122 | L | 88.3 | Confident | 83 | Confident | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -40.9 | 173.7 | -78.1 | -179.6 | 0 | 0 | 0 | 111.9 | Q58 F62 Y118 Y119 Q120 L124 A125 F126 | Q58-L122 HydrophobicContact CG-CD2 3.95Å; F62-L122 HydrophobicContact CE2-CD2 4.12Å; Y118-L122 HydrophobicContact CD1-CD1 4.07Å; Y118-L122 HydrophobicContact CD1-CG 4.49Å; Y118-L122 HydrophobicContact CE1-CD1 3.36Å; Y118-L122 HydrophobicContact CE1-CG 3.97Å; Y118-L122 PolarHBondContact O-N 3.47Å; Y119-L122 HydrophobicContact CD1-CD1 4.08Å; Y119-L122 HydrophobicContact CE1-CD1 4.39Å; Y119-L122 PolarHBondContact O-N 2.82Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.04Å; L122-L124 VanDerWaalsContact C-N 3.32Å; L122-L124 PolarHBondContact O-N 2.96Å; L122-A125 PolarHBondContact O-N 3.21Å; L122-F126 HydrophobicContact CB-CE2 4.05Å; L122-F126 HydrophobicContact CB-CZ 4.38Å; L122-F126 HydrophobicContact CD2-CZ 4.49Å; L122-F126 WeakPolarHBondContact O-CB 3.36Å; L122-F126 WeakPolarHBondContact O-CD2 3.44Å; L122-F126 WeakPolarHBondContact O-CG 3.41Å; L122-F126 PolarHBondContact O-N 2.96Å |
| 123 | I | 85 | Confident | 80.7 | Confident | 2 Ų | 2 | 32.2 Ų | 32.2 | 1% | 0.01 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -60.9 | -43 | 177 | -68.9 | 166.9 | 0 | 0 | 0 | 110.8 | Y119 Q120 F126 Q127 I142 M176 C179 L180 I183 | Y119-I123 WeakPolarHBondContact O-CG1 3.22Å; Y119-I123 PolarHBondContact O-N 2.91Å; Q120-I123 PolarHBondContact O-N 3.19Å; I123-F126 PolarHBondContact O-N 3.15Å; I123-Q127 WeakPolarHBondContact O-CB 3.45Å; I123-Q127 PolarHBondContact O-N 2.68Å; I123-I142 HydrophobicContact CD1-CD1 4.42Å; I123-I142 HydrophobicContact CG2-CD1 3.58Å; I123-M176 HydrophobicContact CG2-CE 3.82Å; I123-C179 HydrophobicContact CD1-CB 3.85Å; I123-C179 HydrophobicContact CG1-CB 3.69Å; I123-L180 HydrophobicContact CD1-CD2 3.86Å; I123-L180 HydrophobicContact CD1-CG 4.11Å; I123-I183 HydrophobicContact CD1-CD1 3.71Å |
| 124 | L | 81.2 | Confident | 78.5 | Confident | 83 Ų | 83 | 33.4 Ų | 33.4 | 44% | 0.435 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.3 | -41.8 | 175.4 | -66.5 | 173.9 | 0 | 0 | 0 | 112 | Q120 S121 L122 F126 Q127 S128 | Q120-L124 PolarHBondContact O-N 2.91Å; Q120-L124 VanDerWaalsContact O-N 3.15Å; S121-L124 PolarHBondContact O-N 3.38Å; L122-L124 VanDerWaalsContact C-N 3.32Å; L122-L124 PolarHBondContact O-N 2.96Å; L124-F126 VanDerWaalsContact C-N 3.35Å; L124-F126 PolarHBondContact O-N 3.06Å; L124-Q127 PolarHBondContact O-N 3.17Å; L124-S128 PolarHBondContact O-N 2.97Å |
| 125 | A | 82.6 | Confident | 76 | Confident | 21 Ų | 21 | 36.8 Ų | 36.8 | 17% | 0.174 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.2 | -40.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F62 S121 L122 S128 E129 | F62-A125 HydrophobicContact CE1-CB 4.45Å; F62-A125 HydrophobicContact CZ-CB 3.82Å; S121-A125 PolarHBondContact O-N 3.32Å; L122-A125 PolarHBondContact O-N 3.21Å; A125-S128 PolarHBondContact O-N 3.21Å; A125-E129 PolarHBondContact O-N 3.19Å; A125-E129 VanDerWaalsContact O-N 3.15Å |
| 126 | F | 82.4 | Confident | 73.6 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65.9 | -39.1 | 175.1 | -68.4 | -30.3 | 0 | 0 | 0 | 113.1 | M61 F62 L122 I123 L124 S128 E129 L130 I172 L175 M176 | M61-F126 HydrophobicContact SD-CE1 3.89Å; M61-F126 HydrophobicContact SD-CZ 3.55Å; M61-F126 VanDerWaalsContact SD-CZ 3.55Å; F62-F126 AromaticContact CE1-CD1 3.84Å; F62-F126 HydrophobicContact CE1-CD1 3.84Å; F62-F126 AromaticContact CE1-CE1 3.88Å; F62-F126 HydrophobicContact CE1-CE1 3.88Å; F62-F126 HydrophobicContact CE2-CE1 4.14Å; F62-F126 AromaticContact CZ-CD1 3.67Å; F62-F126 HydrophobicContact CZ-CD1 3.67Å; F62-F126 AromaticContact CZ-CE1 3.44Å; F62-F126 HydrophobicContact CZ-CE1 3.44Å; F62-F126 VanDerWaalsContact CZ-CE1 3.44Å; F62-F126 HydrophobicContact CZ-CZ 4.43Å; L122-F126 HydrophobicContact CB-CE2 4.05Å; L122-F126 HydrophobicContact CB-CZ 4.38Å; L122-F126 HydrophobicContact CD2-CZ 4.49Å; L122-F126 WeakPolarHBondContact O-CB 3.36Å; L122-F126 WeakPolarHBondContact O-CD2 3.44Å; L122-F126 WeakPolarHBondContact O-CG 3.41Å; L122-F126 PolarHBondContact O-N 2.96Å; I123-F126 PolarHBondContact O-N 3.15Å; L124-F126 VanDerWaalsContact C-N 3.35Å; L124-F126 PolarHBondContact O-N 3.06Å; F126-S128 VanDerWaalsContact C-N 3.31Å; F126-S128 PolarHBondContact O-N 3.01Å; F126-E129 PolarHBondContact O-N 2.95Å; F126-L130 PolarHBondContact O-N 3.49Å; F126-L130 VanDerWaalsContact O-N 3.15Å; F126-I172 HydrophobicContact CB-CG2 3.8Å; F126-I172 HydrophobicContact CG-CG2 4.34Å; F126-L175 HydrophobicContact CD1-CD1 4.39Å; F126-L175 HydrophobicContact CD2-CB 4.11Å; F126-L175 HydrophobicContact CE1-CD1 3.69Å; F126-L175 HydrophobicContact CE2-CB 3.64Å; F126-L175 HydrophobicContact CE2-CD1 4.21Å; F126-L175 HydrophobicContact CE2-CD2 4.47Å; F126-L175 HydrophobicContact CE2-CG 4.33Å; F126-L175 HydrophobicContact CZ-CB 3.89Å; F126-L175 HydrophobicContact CZ-CD1 3.59Å; F126-L175 HydrophobicContact CZ-CD2 4.15Å; F126-L175 HydrophobicContact CZ-CG 4.09Å; F126-M176 HydrophobicContact CB-CG 4.05Å; F126-M176 HydrophobicContact CB-SD 4.35Å; F126-M176 HydrophobicContact CD2-CG 4.02Å; F126-M176 HydrophobicContact CG-CG 4.46Å |
| 127 | Q | 75.8 | Confident | 71.4 | Confident | 44 Ų | 44 | 43.4 Ų | 43.4 | 21% | 0.206 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61.5 | -41.8 | 174.5 | -178 | 178.7 | -11.1 | 0 | 0 | 111.1 | I123 L124 E129 L130 N137 C139 | I123-Q127 WeakPolarHBondContact O-CB 3.45Å; I123-Q127 PolarHBondContact O-N 2.68Å; L124-Q127 PolarHBondContact O-N 3.17Å; Q127-E129 VanDerWaalsContact C-N 3.33Å; Q127-E129 PolarHBondContact O-N 3.17Å; Q127-L130 PolarHBondContact O-N 3.08Å; Q127-N137 PolarHBondContact NE2-OD1 2.71Å; Q127-C139 PolarHBondContact OE1-SG 2.88Å |
| 128 | S | 74.1 | Confident | 69.6 | Low | 30 Ų | 30 | 43.6 Ų | 43.6 | 21% | 0.21 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -39.3 | 174.3 | 165.8 | 0 | 0 | 0 | 0 | 112.8 | L124 A125 F126 L130 G131 F158 | L124-S128 PolarHBondContact O-N 2.97Å; A125-S128 PolarHBondContact O-N 3.21Å; F126-S128 VanDerWaalsContact C-N 3.31Å; F126-S128 PolarHBondContact O-N 3.01Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 3.46Å; S128-G131 PolarHBondContact O-N 3.36Å; S128-F158 WeakPolarHBondContact OG-CB 3.35Å; S128-F158 WeakPolarHBondContact OG-CG 3.44Å |
| 129 | E | 76.4 | Confident | 67.6 | Low | 39 Ų | 39 | 43 Ų | 43 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -71.4 | -20.5 | 177.4 | -69.3 | -70.3 | 157.5 | 0 | 0 | 113.7 | F62 A125 F126 Q127 G131 K161 P164 I172 | F62-E129 HydrophobicContact CD1-CG 4.21Å; F62-E129 HydrophobicContact CE1-CG 3.92Å; A125-E129 PolarHBondContact O-N 3.19Å; A125-E129 VanDerWaalsContact O-N 3.15Å; F126-E129 PolarHBondContact O-N 2.95Å; Q127-E129 VanDerWaalsContact C-N 3.33Å; Q127-E129 PolarHBondContact O-N 3.17Å; E129-G131 VanDerWaalsContact C-N 3.32Å; E129-K161 IonicContact OE1-NZ 3.27Å; E129-K161 PolarHBondContact OE1-NZ 2.89Å; E129-K161 IonicContact OE2-NZ 2.82Å; E129-P164 WeakPolarHBondContact O-CG 3.28Å; E129-I172 HydrophobicContact CB-CD1 3.99Å |
| 130 | L | 70.4 | Confident | 65.4 | Low | 25 Ų | 25 | 46.8 Ų | 46.8 | 13% | 0.131 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -73.1 | -24.2 | 175.6 | -85.3 | 153.6 | 0 | 0 | 0 | 112.9 | F126 Q127 S128 K169 I172 M176 | F126-L130 PolarHBondContact O-N 3.49Å; F126-L130 VanDerWaalsContact O-N 3.15Å; Q127-L130 PolarHBondContact O-N 3.08Å; S128-L130 VanDerWaalsContact C-N 3.3Å; S128-L130 PolarHBondContact O-N 3.46Å; L130-K169 HydrophobicContact CD2-CG 4.28Å; L130-I172 HydrophobicContact CD1-CG2 3.48Å; L130-I172 VanDerWaalsContact CD1-CG2 3.48Å; L130-I172 HydrophobicContact CD2-CG2 4.4Å; L130-I172 HydrophobicContact CG-CB 4.47Å; L130-I172 HydrophobicContact CG-CD1 4.19Å; L130-I172 HydrophobicContact CG-CG2 3.81Å; L130-M176 HydrophobicContact CD1-SD 3.87Å |
| 131 | G | 61.3 | Low | 63.5 | Low | 22 Ų | 22 | 48.8 Ų | 48.8 | 23% | 0.227 | 28% | 0.284 | C | S | . | . | G | 310 helix | trans | 62.9 | -179.4 | -173 | 0 | 0 | 0 | 0 | 0 | 113.6 | S128 E129 A133 | S128-G131 PolarHBondContact O-N 3.36Å; E129-G131 VanDerWaalsContact C-N 3.32Å; G131-A133 PolarHBondContact O-N 3.2Å |
| 132 | D | 54.8 | Low | 61.7 | Low | 135 Ų | 135 | 47.3 Ų | 47.3 | 72% | 0.722 | 27% | 0.272 | S | S | * | . | G | 310 helix | trans | -66.1 | 7.3 | 175.9 | -82.1 | -4 | 0 | 0 | 0 | 113.9 | Q134 | D132-Q134 CarbonylContact O-C 3.53Å; D132-Q134 PolarHBondContact O-N 3.23Å |
| 133 | A | 47.4 | Very low | 59.5 | Low | 45 Ų | 45 | 48.6 Ų | 48.6 | 37% | 0.372 | 28% | 0.281 | S | S | . | . | G | 310 helix | trans | -65.9 | -1.7 | -177 | 0 | 0 | 0 | 0 | 0 | 114.5 | G131 | G131-A133 PolarHBondContact O-N 3.2Š|
| 134 | Q | 44.6 | Very low | 57.4 | Low | 81 Ų | 81 | 56.1 Ų | 56.1 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | S | Bend | trans | -125.7 | 130.4 | 157.4 | -71.1 | -155.9 | -27.5 | 0 | 0 | 109.3 | D132 N136 H990 | D132-Q134 CarbonylContact O-C 3.53Å; D132-Q134 PolarHBondContact O-N 3.23Å; Q134-N136 PolarHBondContact O-N 3.32Å; Q134-H990 VanDerWaalsContact CD-NE2 3.34Å; Q134-H990 PolarHBondContact NE2-NE2 2.77Å; Q134-H990 PolarHBondContact OE1-CE1 3.01Å; Q134-H990 PolarHBondContact OE1-NE2 2.99Å; Q134-H990 VanDerWaalsContact OE1-NE2 3.09Å |
| 135 | P | 38.4 | Very low | 55.4 | Low | 118 Ų | 118 | 55.1 Ų | 55.1 | 77% | 0.766 | 32% | 0.323 | S | S | * | . | S | Bend | trans | -68.9 | 12.4 | -171.3 | 28.1 | -34.8 | 0 | 0 | 0 | 114.4 | ||
| 136 | N | 44 | Very low | 53.2 | Low | 31 Ų | 31 | 55.9 Ų | 55.9 | 17% | 0.166 | 32% | 0.324 | C | S | . | . | S | Bend | trans | -139.1 | 101.8 | -159.1 | -80.8 | -6.2 | 0 | 0 | 0 | 105.2 | Q134 L138 N991 I994 | Q134-N136 PolarHBondContact O-N 3.32Å; N136-L138 PolarHBondContact O-N 2.94Å; N136-N991 PolarHBondContact ND2-OD1 3.42Å; N136-I994 HydrophobicContact CB-CD1 3.21Å |
| 137 | N | 44.5 | Very low | 50.7 | Low | 107 Ų | 107 | 62 Ų | 62 | 57% | 0.572 | 35% | 0.352 | S | S | * | . | trans | -54 | 88.3 | 168.1 | -91.8 | -31 | 0 | 0 | 0 | 108 | Q127 C139 S140 | Q127-N137 PolarHBondContact NE2-OD1 2.71Å; N137-C139 PolarHBondContact O-N 2.92Å; N137-S140 WeakPolarHBondContact O-CB 2.77Å; N137-S140 PolarHBondContact O-N 3.46Å; N137-S140 PolarHBondContact O-OG 3.29Å | ||
| 138 | L | 50.2 | Low | 48.4 | Very low | 31 Ų | 31 | 63.6 Ų | 63.6 | 16% | 0.162 | 36% | 0.362 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | -18.6 | -169.7 | -100.3 | 149.2 | 0 | 0 | 0 | 112.7 | N136 W141 F212 | N136-L138 PolarHBondContact O-N 2.94Å; L138-W141 PolarHBondContact O-NE1 3.44Å; L138-F212 HydrophobicContact CB-CZ 4.48Å; L138-F212 HydrophobicContact CD2-CE1 4.13Å; L138-F212 HydrophobicContact CD2-CZ 4.3Å |
| 139 | C | 50.8 | Low | 46 | Very low | 12 Ų | 12 | 68 Ų | 68 | 8% | 0.081 | 39% | 0.39 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -109.9 | 9.5 | -177.3 | -58.6 | 0 | 0 | 0 | 0 | 114.4 | Q127 N137 W141 I142 M176 | Q127-C139 PolarHBondContact OE1-SG 2.88Å; N137-C139 PolarHBondContact O-N 2.92Å; C139-W141 PolarHBondContact O-N 2.74Å; C139-W141 VanDerWaalsContact O-N 3.08Å; C139-I142 HydrophobicContact CB-CB 4.35Å; C139-I142 HydrophobicContact CB-CD1 3.55Å; C139-I142 HydrophobicContact CB-CG1 3.84Å; C139-I142 WeakPolarHBondContact O-CB 3.29Å; C139-I142 PolarHBondContact O-N 3.13Å; C139-I142 WeakPolarHBondContact SG-CD1 3.39Å; C139-M176 WeakPolarHBondContact SG-CE 3.17Å |
| 140 | S | 46.2 | Very low | 43.6 | Very low | 82 Ų | 82 | 71.8 Ų | 71.8 | 57% | 0.573 | 41% | 0.41 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | -29.6 | 178.3 | 63.1 | 0 | 0 | 0 | 0 | 112.5 | N137 | N137-S140 WeakPolarHBondContact O-CB 2.77Å; N137-S140 PolarHBondContact O-N 3.46Å; N137-S140 PolarHBondContact O-OG 3.29Å |
| 141 | W | 48.8 | Very low | 41.3 | Very low | 64 Ų | 64 | 80.6 Ų | 80.6 | 24% | 0.242 | 44% | 0.443 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | -10.5 | 176.7 | 60.8 | -95.4 | 0 | 0 | 0 | 114.5 | L138 C139 P143 A208 Y211 F212 | L138-W141 PolarHBondContact O-NE1 3.44Å; C139-W141 PolarHBondContact O-N 2.74Å; C139-W141 VanDerWaalsContact O-N 3.08Å; W141-P143 WeakPolarHBondContact O-CD 3.32Å; W141-A208 HydrophobicContact CH2-CB 3.18Å; W141-A208 HydrophobicContact CZ2-CB 4.26Å; W141-A208 HydrophobicContact CZ3-CB 3.38Å; W141-Y211 HydrophobicContact CH2-CD2 4.14Å; W141-Y211 AromaticContact CZ2-CD2 3.68Å; W141-Y211 HydrophobicContact CZ2-CD2 3.68Å; W141-Y211 HydrophobicContact CZ2-CE2 4.24Å; W141-F212 HydrophobicContact CZ2-CE2 4.21Å |
| 142 | I | 49.1 | Very low | 39.6 | Very low | 21 Ų | 21 | 84.7 Ų | 84.7 | 11% | 0.108 | 47% | 0.467 | C | S | . | . | S | Bend | trans | -60.3 | 113.9 | 175.5 | -67.1 | -174.9 | 0 | 0 | 0 | 106 | I123 C139 I144 L180 | I123-I142 HydrophobicContact CD1-CD1 4.42Å; I123-I142 HydrophobicContact CG2-CD1 3.58Å; C139-I142 HydrophobicContact CB-CB 4.35Å; C139-I142 HydrophobicContact CB-CD1 3.55Å; C139-I142 HydrophobicContact CB-CG1 3.84Å; C139-I142 WeakPolarHBondContact O-CB 3.29Å; C139-I142 PolarHBondContact O-N 3.13Å; C139-I142 WeakPolarHBondContact SG-CD1 3.39Å; I142-I144 PolarHBondContact O-N 3.16Å; I142-L180 HydrophobicContact CD1-CD2 4.41Å |
| 143 | P | 41.2 | Very low | 38.1 | Very low | 27 Ų | 27 | 82 Ų | 82 | 18% | 0.175 | 47% | 0.471 | C | S | . | . | trans | -61.1 | 116.7 | -171.4 | -21.9 | 33.6 | 0 | 0 | 0 | 108.9 | W141 A145 | W141-P143 WeakPolarHBondContact O-CD 3.32Å; P143-A145 HydrophobicContact CB-CB 4.27Å; P143-A145 PolarHBondContact O-N 3.33Å | ||
| 144 | I | 40.7 | Very low | 36.9 | Very low | 160 Ų | 160 | 84.9 Ų | 84.9 | 82% | 0.821 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -70.7 | 45.5 | 170.7 | -48.8 | 167.8 | 0 | 0 | 0 | 108.9 | I142 | I142-I144 PolarHBondContact O-N 3.16Š|
| 145 | A | 38.5 | Very low | 35.9 | Very low | 62 Ų | 62 | 90.2 Ų | 90.2 | 51% | 0.512 | 51% | 0.506 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -86.7 | -19.4 | -178 | 0 | 0 | 0 | 0 | 0 | 112.1 | P143 | P143-A145 HydrophobicContact CB-CB 4.27Å; P143-A145 PolarHBondContact O-N 3.33Å |
| 146 | L | 37 | Very low | 35.2 | Very low | 38 Ų | 38 | 92.2 Ų | 92.2 | 20% | 0.199 | 50% | 0.503 | C | S | . | . | trans | -136.5 | 24.9 | -166.7 | -96.3 | 152.2 | 0 | 0 | 0 | 114.7 | L113 Q120 I148 F187 | L113-L146 HydrophobicContact CD2-CD2 4.01Å; Q120-L146 PolarHBondContact OE1-O 3.46Å; L146-I148 PolarHBondContact O-N 3.4Å; L146-F187 HydrophobicContact CD1-CE1 3.9Å; L146-F187 HydrophobicContact CD1-CZ 3.57Å | ||
| 147 | H | 31.4 | Very low | 34.2 | Very low | 128 Ų | 128 | 99.8 Ų | 99.8 | 59% | 0.593 | 54% | 0.538 | S | S | * | . | trans | -65.5 | 91.2 | 147.1 | -134.6 | -72.3 | 0 | 0 | 0 | 106 | P149 | H147-P149 WeakPolarHBondContact O-CD 3.42Å; H147-P149 VanDerWaalsContact O-N 3.13Å | ||
| 148 | I | 25.9 | Very low | 33.4 | Very low | 78 Ų | 78 | 99.9 Ų | 99.9 | 40% | 0.4 | 53% | 0.533 | S | S | . | . | trans | -45.6 | 122.6 | 153.3 | -58.8 | 172.4 | 0 | 0 | 0 | 103.6 | L146 L150 | L146-I148 PolarHBondContact O-N 3.4Å; I148-L150 HydrophobicContact CB-CD1 4.47Å; I148-L150 HydrophobicContact CG2-CD1 4.06Å; I148-L150 HydrophobicContact CG2-CG 3.88Å; I148-L150 PolarHBondContact O-N 3.27Å | ||
| 149 | P | 24.5 | Very low | 32.2 | Very low | 123 Ų | 123 | 106.6 Ų | 106.6 | 80% | 0.799 | 56% | 0.564 | S | S | * | * | trans | -70.7 | 73 | 178.7 | 27.6 | -30.9 | 0 | 0 | 0 | 108.1 | H147 Y151 | H147-P149 WeakPolarHBondContact O-CD 3.42Å; H147-P149 VanDerWaalsContact O-N 3.13Å; P149-Y151 PolarHBondContact O-N 2.72Å | ||
| 150 | L | 25.5 | Very low | 31.2 | Very low | 118 Ų | 118 | 113 Ų | 113 | 62% | 0.618 | 59% | 0.593 | S | S | * | * | trans | -87.8 | 95.4 | 166.1 | -81.1 | 164.3 | 0 | 0 | 0 | 106.4 | I148 | I148-L150 HydrophobicContact CB-CD1 4.47Å; I148-L150 HydrophobicContact CG2-CD1 4.06Å; I148-L150 HydrophobicContact CG2-CG 3.88Å; I148-L150 PolarHBondContact O-N 3.27Å | ||
| 151 | Y | 23.5 | Very low | 31.1 | Very low | 209 Ų | 209 | 114.6 Ų | 114.6 | 82% | 0.82 | 59% | 0.589 | S | S | * | * | S | Bend | trans | 71 | 110.6 | 150.6 | -76.7 | -94 | 0 | 0 | 0 | 118.8 | P149 | P149-Y151 PolarHBondContact O-N 2.72Š|
| 152 | C | 24.3 | Very low | 31.1 | Very low | 109 Ų | 109 | 120.4 Ų | 120.4 | 74% | 0.736 | 62% | 0.618 | S | S | * | * | trans | 62.2 | 88.3 | 134.7 | -163.3 | 0 | 0 | 0 | 0 | 116.6 | V154 | C152-V154 PolarHBondContact O-N 3.04Š| ||
| 153 | G | 22.9 | Very low | 31.6 | Very low | 78 Ų | 78 | 125.3 Ų | 125.3 | 80% | 0.804 | 65% | 0.645 | S | S | * | * | 51.5 | 7.2 | 120.9 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 154 | V | 22.5 | Very low | 32.7 | Very low | 106 Ų | 106 | 125 Ų | 125 | 64% | 0.642 | 64% | 0.643 | S | S | * | * | trans | -100.1 | 100 | 172.3 | -165.5 | 0 | 0 | 0 | 0 | 105.9 | C152 F156 | C152-V154 PolarHBondContact O-N 3.04Å; V154-F156 PolarHBondContact O-N 3.45Å | ||
| 155 | F | 23 | Very low | 34.1 | Very low | 192 Ų | 192 | 119.7 Ų | 119.7 | 84% | 0.842 | 62% | 0.62 | S | S | * | * | trans | -50.6 | 115.1 | 160.1 | -66.5 | -88.8 | 0 | 0 | 0 | 106.5 | E157 | F155-E157 PolarHBondContact O-N 3.02Š| ||
| 156 | F | 24.7 | Very low | 35.7 | Very low | 160 Ų | 160 | 122.3 Ų | 122.3 | 70% | 0.702 | 63% | 0.629 | S | S | * | * | trans | -70.4 | 88.7 | 169.3 | -71.4 | -84.8 | 0 | 0 | 0 | 106.6 | V154 F158 | V154-F156 PolarHBondContact O-N 3.45Å; F156-F158 HydrophobicContact CB-CD2 3.95Å; F156-F158 HydrophobicContact CB-CE1 4.03Å; F156-F158 HydrophobicContact CB-CE2 3.36Å; F156-F158 HydrophobicContact CB-CZ 3.41Å; F156-F158 VanDerWaalsContact CB-CZ 3.41Å; F156-F158 HydrophobicContact CD1-CE1 4.3Å; F156-F158 HydrophobicContact CD1-CZ 4.21Å; F156-F158 HydrophobicContact CG-CE1 4.39Å; F156-F158 HydrophobicContact CG-CE2 4.29Å; F156-F158 AromaticContact CG-CZ 3.87Å; F156-F158 HydrophobicContact CG-CZ 3.87Å; F156-F158 VanDerWaalsContact O-CD2 3.27Å; F156-F158 WeakPolarHBondContact O-CD2 3.4Å; F156-F158 PolarHBondContact O-N 3.43Å | ||
| 157 | E | 22.2 | Very low | 37.6 | Very low | 190 Ų | 190 | 126.2 Ų | 126.2 | 89% | 0.888 | 65% | 0.647 | S | S | * | * | trans | -67.2 | 104.7 | 154.7 | -85.2 | -178.7 | 165.5 | 0 | 0 | 106.1 | F155 | F155-E157 PolarHBondContact O-N 3.02Š| ||
| 158 | F | 28.4 | Very low | 39.8 | Very low | 109 Ų | 109 | 122.3 Ų | 122.3 | 48% | 0.478 | 63% | 0.63 | S | S | . | * | trans | -83.5 | 123.5 | 172.6 | -63.6 | -82 | 0 | 0 | 0 | 108 | S128 F156 E160 | S128-F158 WeakPolarHBondContact OG-CB 3.35Å; S128-F158 WeakPolarHBondContact OG-CG 3.44Å; F156-F158 HydrophobicContact CB-CD2 3.95Å; F156-F158 HydrophobicContact CB-CE1 4.03Å; F156-F158 HydrophobicContact CB-CE2 3.36Å; F156-F158 HydrophobicContact CB-CZ 3.41Å; F156-F158 VanDerWaalsContact CB-CZ 3.41Å; F156-F158 HydrophobicContact CD1-CE1 4.3Å; F156-F158 HydrophobicContact CD1-CZ 4.21Å; F156-F158 HydrophobicContact CG-CE1 4.39Å; F156-F158 HydrophobicContact CG-CE2 4.29Å; F156-F158 AromaticContact CG-CZ 3.87Å; F156-F158 HydrophobicContact CG-CZ 3.87Å; F156-F158 VanDerWaalsContact O-CD2 3.27Å; F156-F158 WeakPolarHBondContact O-CD2 3.4Å; F156-F158 PolarHBondContact O-N 3.43Å; F158-E160 PolarHBondContact O-N 2.9Å | ||
| 159 | E | 25.2 | Very low | 42.3 | Very low | 173 Ų | 173 | 121.8 Ų | 121.8 | 81% | 0.808 | 63% | 0.625 | S | S | * | * | trans | -56.1 | 122 | 171.5 | -78.8 | -178.1 | 163 | 0 | 0 | 109.5 | K161 | E159-K161 PolarHBondContact O-N 3.29Å; E159-K161 VanDerWaalsContact O-N 3.11Å | ||
| 160 | E | 29.4 | Very low | 45 | Very low | 147 Ų | 147 | 118.6 Ų | 118.6 | 69% | 0.687 | 61% | 0.606 | S | S | * | * | trans | -64.5 | 109.1 | 178.4 | -155.9 | -178.5 | -170.2 | 0 | 0 | 109 | F158 | F158-E160 PolarHBondContact O-N 2.9Š| ||
| 161 | K | 44 | Very low | 47.7 | Very low | 114 Ų | 114 | 113.1 Ų | 113.1 | 50% | 0.496 | 58% | 0.578 | S | S | . | * | trans | -87.7 | 145.3 | 176.5 | -71 | -179.2 | -172.7 | 166.4 | 0 | 110.3 | E129 E159 | E129-K161 IonicContact OE1-NZ 3.27Å; E129-K161 PolarHBondContact OE1-NZ 2.89Å; E129-K161 IonicContact OE2-NZ 2.82Å; E159-K161 PolarHBondContact O-N 3.29Å; E159-K161 VanDerWaalsContact O-N 3.11Å | ||
| 162 | H | 49.7 | Very low | 50.6 | Low | 186 Ų | 186 | 103.3 Ų | 103.3 | 86% | 0.861 | 54% | 0.539 | S | S | * | . | trans | -42.3 | 141.2 | 174.7 | -94.7 | -73.5 | 0 | 0 | 0 | 112.8 | P164 | H162-P164 VanDerWaalsContact O-N 3.09Š| ||
| 163 | N | 58.6 | Low | 53.3 | Low | 125 Ų | 125 | 101.1 Ų | 101.1 | 67% | 0.668 | 52% | 0.519 | S | S | * | . | trans | -32.8 | 113.6 | 174.4 | -89.1 | -27.8 | 0 | 0 | 0 | 112.1 | ||||
| 164 | P | 64.8 | Low | 56.3 | Low | 19 Ų | 19 | 102.3 Ų | 102.3 | 12% | 0.123 | 50% | 0.503 | C | S | . | . | trans | -63.7 | 149.1 | -176.6 | 20.8 | -30 | 0 | 0 | 0 | 110.9 | E129 H162 N168 K169 | E129-P164 WeakPolarHBondContact O-CG 3.28Å; H162-P164 VanDerWaalsContact O-N 3.09Å; P164-N168 HydrophobicContact CB-CB 4.12Å; P164-K169 HydrophobicContact CB-CG 4.1Å; P164-K169 HydrophobicContact CG-CD 4.31Å; P164-K169 HydrophobicContact CG-CG 3.67Å; P164-K169 WeakPolarHBondContact O-CE 3.49Å | ||
| 165 | S | 70.2 | Confident | 59.4 | Low | 50 Ų | 50 | 97.4 Ų | 97.4 | 35% | 0.35 | 47% | 0.473 | S | S | . | . | trans | -58.3 | 157 | 173.7 | 87.1 | 0 | 0 | 0 | 0 | 111 | E167 N168 K169 | S165-E167 WeakPolarHBondContact CB-OE2 3.31Å; S165-E167 PolarHBondContact O-N 3.22Å; S165-E167 PolarHBondContact OG-OE2 2.81Å; S165-N168 PolarHBondContact O-N 3.48Å; S165-N168 VanDerWaalsContact O-N 3.09Å; S165-N168 PolarHBondContact OG-N 2.8Å; S165-K169 PolarHBondContact O-N 3.33Å | ||
| 166 | V | 72.7 | Confident | 62.4 | Low | 116 Ų | 116 | 88.3 Ų | 88.3 | 70% | 0.703 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -57.8 | -38.5 | -179.2 | 178.4 | 0 | 0 | 0 | 0 | 111.1 | K169 S170 | V166-K169 PolarHBondContact O-N 2.63Å; V166-S170 PolarHBondContact O-N 2.92Å |
| 167 | E | 75.9 | Confident | 65.3 | Low | 121 Ų | 121 | 81.2 Ų | 81.2 | 57% | 0.565 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 176.7 | -56.2 | 75.8 | -162.7 | 0 | 0 | 111.6 | S165 S170 A171 | S165-E167 WeakPolarHBondContact CB-OE2 3.31Å; S165-E167 PolarHBondContact O-N 3.22Å; S165-E167 PolarHBondContact OG-OE2 2.81Å; E167-S170 PolarHBondContact O-N 2.69Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 3.38Å |
| 168 | N | 78.8 | Confident | 68.7 | Low | 45 Ų | 45 | 75.2 Ų | 75.2 | 24% | 0.241 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -65.9 | -41.3 | 177.6 | -75.8 | -12.9 | 0 | 0 | 0 | 111.5 | P164 S165 S170 A171 I172 | P164-N168 HydrophobicContact CB-CB 4.12Å; S165-N168 PolarHBondContact O-N 3.48Å; S165-N168 VanDerWaalsContact O-N 3.09Å; S165-N168 PolarHBondContact OG-N 2.8Å; N168-S170 VanDerWaalsContact C-N 3.34Å; N168-S170 PolarHBondContact O-N 3.48Å; N168-A171 PolarHBondContact O-N 2.96Å; N168-I172 WeakPolarHBondContact O-CB 3.42Å; N168-I172 WeakPolarHBondContact O-CG1 2.8Å; N168-I172 PolarHBondContact O-N 2.93Å |
| 169 | K | 78.1 | Confident | 71.7 | Confident | 67 Ų | 67 | 70 Ų | 70 | 29% | 0.291 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -57.3 | -48 | 173.8 | -71.2 | -175.6 | 178.1 | -173.4 | 0 | 111.2 | L130 P164 S165 V166 A171 I172 I173 | L130-K169 HydrophobicContact CD2-CG 4.28Å; P164-K169 HydrophobicContact CB-CG 4.1Å; P164-K169 HydrophobicContact CG-CD 4.31Å; P164-K169 HydrophobicContact CG-CG 3.67Å; P164-K169 WeakPolarHBondContact O-CE 3.49Å; S165-K169 PolarHBondContact O-N 3.33Å; V166-K169 PolarHBondContact O-N 2.63Å; K169-A171 PolarHBondContact O-N 3.33Å; K169-I172 PolarHBondContact O-N 2.68Å; K169-I173 VanDerWaalsContact O-CG1 3.32Å; K169-I173 WeakPolarHBondContact O-CG1 2.98Å; K169-I173 PolarHBondContact O-N 3.43Å |
| 170 | S | 79.7 | Confident | 74.8 | Confident | 56 Ų | 56 | 61.8 Ų | 61.8 | 39% | 0.392 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 177.4 | -174 | 0 | 0 | 0 | 0 | 112.5 | V166 E167 N168 I173 K174 | V166-S170 PolarHBondContact O-N 2.92Å; E167-S170 PolarHBondContact O-N 2.69Å; N168-S170 VanDerWaalsContact C-N 3.34Å; N168-S170 PolarHBondContact O-N 3.48Å; S170-I173 PolarHBondContact O-N 3.2Å; S170-K174 WeakPolarHBondContact O-CG 3.27Å; S170-K174 PolarHBondContact O-N 3.13Å; S170-K174 VanDerWaalsContact O-N 3.14Å |
| 171 | A | 84 | Confident | 77.8 | Confident | 4 Ų | 4 | 55 Ų | 55 | 3% | 0.033 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62.9 | -42.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112 | F69 E167 N168 K169 K174 L175 | F69-A171 HydrophobicContact CD1-CB 4.06Å; F69-A171 HydrophobicContact CE1-CB 3.96Å; F69-A171 HydrophobicContact CG-CB 4.35Å; F69-A171 HydrophobicContact CZ-CB 4.22Å; E167-A171 WeakPolarHBondContact O-CB 3.46Å; E167-A171 PolarHBondContact O-N 3.38Å; N168-A171 PolarHBondContact O-N 2.96Å; K169-A171 PolarHBondContact O-N 3.33Å; A171-K174 PolarHBondContact O-N 2.84Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 3.33Å |
| 172 | I | 83.3 | Confident | 80.2 | Confident | 3 Ų | 3 | 49.9 Ų | 49.9 | 2% | 0.015 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -46.7 | 177.4 | -69.7 | 166.4 | 0 | 0 | 0 | 111 | L65 F126 E129 L130 N168 K169 K174 L175 M176 | L65-I172 HydrophobicContact CD2-CD1 3.98Å; L65-I172 HydrophobicContact CD2-CG1 3.46Å; L65-I172 VanDerWaalsContact CD2-CG1 3.46Å; F126-I172 HydrophobicContact CB-CG2 3.8Å; F126-I172 HydrophobicContact CG-CG2 4.34Å; E129-I172 HydrophobicContact CB-CD1 3.99Å; L130-I172 HydrophobicContact CD1-CG2 3.48Å; L130-I172 VanDerWaalsContact CD1-CG2 3.48Å; L130-I172 HydrophobicContact CD2-CG2 4.4Å; L130-I172 HydrophobicContact CG-CB 4.47Å; L130-I172 HydrophobicContact CG-CD1 4.19Å; L130-I172 HydrophobicContact CG-CG2 3.81Å; N168-I172 WeakPolarHBondContact O-CB 3.42Å; N168-I172 WeakPolarHBondContact O-CG1 2.8Å; N168-I172 PolarHBondContact O-N 2.93Å; K169-I172 PolarHBondContact O-N 2.68Å; I172-K174 VanDerWaalsContact C-N 3.3Å; I172-K174 PolarHBondContact O-N 3.37Å; I172-L175 WeakPolarHBondContact O-CB 3.4Å; I172-L175 PolarHBondContact O-N 2.79Å; I172-L175 VanDerWaalsContact O-N 3.1Å; I172-M176 HydrophobicContact CG2-CG 4.23Å; I172-M176 HydrophobicContact CG2-SD 3.94Å; I172-M176 WeakPolarHBondContact O-CG 3.39Å; I172-M176 PolarHBondContact O-N 2.72Å |
| 173 | I | 81.5 | Confident | 82.3 | Confident | 62 Ų | 62 | 41 Ų | 41 | 32% | 0.318 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.4 | -45.5 | 178.2 | -70.1 | 167.5 | 0 | 0 | 0 | 110.7 | K169 S170 L175 M176 H177 F212 | K169-I173 VanDerWaalsContact O-CG1 3.32Å; K169-I173 WeakPolarHBondContact O-CG1 2.98Å; K169-I173 PolarHBondContact O-N 3.43Å; S170-I173 PolarHBondContact O-N 3.2Å; I173-L175 VanDerWaalsContact C-N 3.35Å; I173-L175 PolarHBondContact O-N 3.21Å; I173-M176 PolarHBondContact O-N 2.9Å; I173-H177 PolarHBondContact O-N 3.35Å; I173-F212 HydrophobicContact CG2-CB 4.09Å; I173-F212 WeakPolarHBondContact CG2-O 3.44Å |
| 174 | K | 85.3 | Confident | 84 | Confident | 104 Ų | 104 | 35 Ų | 35 | 45% | 0.452 | 19% | 0.185 | S | C | . | . | H | α-helix | trans | -62.9 | -38.9 | 176.1 | -71.5 | 176.1 | -179.7 | 175.7 | 0 | 112.6 | F69 S170 A171 I172 K178 | F69-K174 HydrophobicContact CE2-CB 4.2Å; F69-K174 HydrophobicContact CZ-CD 4.46Å; S170-K174 WeakPolarHBondContact O-CG 3.27Å; S170-K174 PolarHBondContact O-N 3.13Å; S170-K174 VanDerWaalsContact O-N 3.14Å; A171-K174 PolarHBondContact O-N 2.84Å; I172-K174 VanDerWaalsContact C-N 3.3Å; I172-K174 PolarHBondContact O-N 3.37Å; K174-K178 WeakPolarHBondContact O-CB 3.37Å; K174-K178 PolarHBondContact O-N 3.05Å |
| 175 | L | 88.3 | Confident | 85.5 | Confident | 3 Ų | 3 | 34.9 Ų | 34.9 | 2% | 0.016 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.7 | -44.8 | 175 | -82.1 | 166.7 | 0 | 0 | 0 | 111.9 | M61 F69 E73 F126 A171 I172 I173 K178 C179 | M61-L175 HydrophobicContact CG-CD1 4.45Å; M61-L175 HydrophobicContact SD-CD1 4.26Å; M61-L175 HydrophobicContact SD-CD2 4.15Å; F69-L175 HydrophobicContact CB-CD1 3.74Å; F69-L175 HydrophobicContact CB-CD2 4.11Å; F69-L175 HydrophobicContact CB-CG 4.1Å; F69-L175 HydrophobicContact CD2-CD1 4.09Å; F69-L175 HydrophobicContact CD2-CD2 3.81Å; F69-L175 HydrophobicContact CD2-CG 3.59Å; F69-L175 HydrophobicContact CE2-CG 4.44Å; F69-L175 HydrophobicContact CG-CD1 4.25Å; F69-L175 HydrophobicContact CG-CD2 4.47Å; F69-L175 HydrophobicContact CG-CG 4.24Å; E73-L175 HydrophobicContact CB-CD2 3.91Å; E73-L175 HydrophobicContact CG-CD2 4.09Å; F126-L175 HydrophobicContact CD1-CD1 4.39Å; F126-L175 HydrophobicContact CD2-CB 4.11Å; F126-L175 HydrophobicContact CE1-CD1 3.69Å; F126-L175 HydrophobicContact CE2-CB 3.64Å; F126-L175 HydrophobicContact CE2-CD1 4.21Å; F126-L175 HydrophobicContact CE2-CD2 4.47Å; F126-L175 HydrophobicContact CE2-CG 4.33Å; F126-L175 HydrophobicContact CZ-CB 3.89Å; F126-L175 HydrophobicContact CZ-CD1 3.59Å; F126-L175 HydrophobicContact CZ-CD2 4.15Å; F126-L175 HydrophobicContact CZ-CG 4.09Å; A171-L175 WeakPolarHBondContact O-CG 3.49Å; A171-L175 PolarHBondContact O-N 3.33Å; I172-L175 WeakPolarHBondContact O-CB 3.4Å; I172-L175 PolarHBondContact O-N 2.79Å; I172-L175 VanDerWaalsContact O-N 3.1Å; I173-L175 VanDerWaalsContact C-N 3.35Å; I173-L175 PolarHBondContact O-N 3.21Å; L175-K178 PolarHBondContact O-N 3Å; L175-C179 WeakPolarHBondContact O-CB 3.4Å; L175-C179 PolarHBondContact O-N 3.44Å; L175-C179 PolarHBondContact O-SG 3.27Å |
| 176 | M | 85.6 | Confident | 86.7 | Confident | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.2 | -46.2 | 178 | -68.9 | 177.9 | 84.3 | 0 | 0 | 111.2 | I123 F126 L130 C139 I172 I173 K178 C179 L180 F212 | I123-M176 HydrophobicContact CG2-CE 3.82Å; F126-M176 HydrophobicContact CB-CG 4.05Å; F126-M176 HydrophobicContact CB-SD 4.35Å; F126-M176 HydrophobicContact CD2-CG 4.02Å; F126-M176 HydrophobicContact CG-CG 4.46Å; L130-M176 HydrophobicContact CD1-SD 3.87Å; C139-M176 WeakPolarHBondContact SG-CE 3.17Å; I172-M176 HydrophobicContact CG2-CG 4.23Å; I172-M176 HydrophobicContact CG2-SD 3.94Å; I172-M176 WeakPolarHBondContact O-CG 3.39Å; I172-M176 PolarHBondContact O-N 2.72Å; I173-M176 PolarHBondContact O-N 2.9Å; M176-K178 VanDerWaalsContact C-N 3.28Å; M176-K178 PolarHBondContact O-N 3.41Å; M176-C179 PolarHBondContact O-N 3.48Å; M176-L180 VanDerWaalsContact O-CG 3.28Å; M176-L180 WeakPolarHBondContact O-CG 3.49Å; M176-L180 PolarHBondContact O-N 3.39Å; M176-F212 HydrophobicContact CB-CD1 3.69Å; M176-F212 HydrophobicContact CB-CE1 3.82Å; M176-F212 HydrophobicContact CB-CG 4.08Å; M176-F212 HydrophobicContact CB-CZ 4.31Å; M176-F212 HydrophobicContact CE-CD1 4.34Å; M176-F212 HydrophobicContact CE-CE1 3.31Å; M176-F212 HydrophobicContact CE-CZ 3.51Å; M176-F212 HydrophobicContact CG-CD1 4.47Å; M176-F212 HydrophobicContact CG-CE1 4.27Å; M176-F212 HydrophobicContact SD-CD1 4.01Å; M176-F212 HydrophobicContact SD-CE1 3.47Å; M176-F212 WeakPolarHBondContact SD-CE1 3.35Å; M176-F212 HydrophobicContact SD-CZ 4.25Å |
| 177 | H | 86.6 | Confident | 87.8 | Confident | 10 Ų | 10 | 27.2 Ų | 27.2 | 5% | 0.046 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -52.6 | -46.9 | 171.8 | 172.6 | -76.5 | 0 | 0 | 0 | 111.5 | I173 L180 T181 A209 F212 D213 P219 | I173-H177 PolarHBondContact O-N 3.35Å; H177-L180 PolarHBondContact O-N 2.84Å; H177-T181 PolarHBondContact O-N 3.13Å; H177-T181 PolarHBondContact O-OG1 3.45Å; H177-A209 PolarHBondContact CD2-O 3.34Å; H177-A209 VanDerWaalsContact CD2-O 3.24Å; H177-F212 HydrophobicContact CB-CB 3.95Å; H177-D213 HydrophobicContact CB-CB 4.24Å; H177-P219 WeakPolarHBondContact NE2-CG 3.26Å |
| 178 | K | 91.8 | Very high | 88.7 | Confident | 64 Ų | 64 | 23.8 Ų | 23.8 | 28% | 0.278 | 12% | 0.116 | S | C | . | . | H | α-helix | trans | -70.1 | -41.3 | -178.1 | -164.2 | 158 | -177.6 | -163.2 | 0 | 112.8 | E73 K174 L175 M176 L180 T181 N182 | E73-K178 VanDerWaalsContact CD-CD 3.48Å; E73-K178 VanDerWaalsContact CD-CE 3.48Å; E73-K178 HydrophobicContact CG-CD 4.45Å; E73-K178 WeakPolarHBondContact OE2-CD 3.41Å; E73-K178 WeakPolarHBondContact OE2-CE 3.45Å; E73-K178 IonicContact OE2-NZ 3.56Å; E73-K178 PolarHBondContact OE2-NZ 3.3Å; K174-K178 WeakPolarHBondContact O-CB 3.37Å; K174-K178 PolarHBondContact O-N 3.05Å; L175-K178 PolarHBondContact O-N 3Å; M176-K178 VanDerWaalsContact C-N 3.28Å; M176-K178 PolarHBondContact O-N 3.41Å; K178-L180 VanDerWaalsContact C-N 3.33Å; K178-L180 PolarHBondContact O-N 2.86Å; K178-T181 PolarHBondContact O-N 3.09Å; K178-N182 WeakPolarHBondContact O-CB 3.32Å; K178-N182 PolarHBondContact O-N 2.91Å; K178-N182 PolarHBondContact O-ND2 3.23Å; K178-N182 PolarHBondContact O-OD1 3.22Å |
| 179 | C | 92 | Very high | 89.5 | Confident | 0 Ų | 0 | 22.2 Ų | 22.2 | 0% | 0 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.2 | -45.5 | 172.3 | -71.8 | 0 | 0 | 0 | 0 | 111.5 | Y119 I123 L175 M176 N182 I183 | Y119-C179 HydrophobicContact CD1-CB 4.07Å; I123-C179 HydrophobicContact CD1-CB 3.85Å; I123-C179 HydrophobicContact CG1-CB 3.69Å; L175-C179 WeakPolarHBondContact O-CB 3.4Å; L175-C179 PolarHBondContact O-N 3.44Å; L175-C179 PolarHBondContact O-SG 3.27Å; M176-C179 PolarHBondContact O-N 3.48Å; C179-N182 PolarHBondContact O-N 3.03Å; C179-I183 VanDerWaalsContact O-CG1 3.23Å; C179-I183 WeakPolarHBondContact O-CG1 3.39Å; C179-I183 PolarHBondContact O-N 2.86Å |
| 180 | L | 89.7 | Confident | 90.2 | Very high | 1 Ų | 1 | 19.3 Ų | 19.3 | 1% | 0.005 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -63.5 | -43 | 177.8 | -69.7 | 166.2 | 0 | 0 | 0 | 111.9 | I123 I142 M176 H177 K178 I183 G184 Y205 A208 A209 F212 | I123-L180 HydrophobicContact CD1-CD2 3.86Å; I123-L180 HydrophobicContact CD1-CG 4.11Å; I142-L180 HydrophobicContact CD1-CD2 4.41Å; M176-L180 VanDerWaalsContact O-CG 3.28Å; M176-L180 WeakPolarHBondContact O-CG 3.49Å; M176-L180 PolarHBondContact O-N 3.39Å; H177-L180 PolarHBondContact O-N 2.84Å; K178-L180 VanDerWaalsContact C-N 3.33Å; K178-L180 PolarHBondContact O-N 2.86Å; L180-I183 PolarHBondContact O-N 3.46Å; L180-G184 PolarHBondContact O-N 3.38Å; L180-Y205 HydrophobicContact CD2-CD1 3.62Å; L180-Y205 HydrophobicContact CD2-CE1 3.93Å; L180-A208 HydrophobicContact CD1-CB 4.26Å; L180-A208 HydrophobicContact CD2-CB 4.2Å; L180-A209 HydrophobicContact CB-CB 4.2Å; L180-F212 HydrophobicContact CD1-CD2 3.34Å; L180-F212 HydrophobicContact CD1-CE2 3.31Å; L180-F212 HydrophobicContact CD1-CG 4.43Å; L180-F212 HydrophobicContact CD1-CZ 4.37Å |
| 181 | T | 92.5 | Very high | 90.7 | Very high | 3 Ų | 3 | 18.9 Ų | 18.9 | 2% | 0.018 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.1 | -45.5 | 175.2 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | H177 K178 I183 G184 D185 Y206 L218 Q222 | H177-T181 PolarHBondContact O-N 3.13Å; H177-T181 PolarHBondContact O-OG1 3.45Å; K178-T181 PolarHBondContact O-N 3.09Å; T181-I183 PolarHBondContact O-N 3.38Å; T181-G184 PolarHBondContact O-N 3.17Å; T181-D185 PolarHBondContact O-N 2.95Å; T181-Y206 HydrophobicContact CG2-CD1 4.43Å; T181-Y206 HydrophobicContact CG2-CE1 4.29Å; T181-Y206 WeakPolarHBondContact O-CE1 3.31Å; T181-L218 HydrophobicContact CG2-CD2 3.95Å; T181-L218 HydrophobicContact CG2-CG 4.17Å; T181-Q222 HydrophobicContact CG2-CG 4.43Å |
| 182 | N | 95.6 | Very high | 90.9 | Very high | 7 Ų | 7 | 22.2 Ų | 22.2 | 4% | 0.037 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -62.9 | -41.5 | 176.8 | -70.2 | -13.5 | 0 | 0 | 0 | 112.3 | E73 W77 Y119 K178 C179 G184 D185 L186 | E73-N182 PolarHBondContact OE1-ND2 3.22Å; W77-N182 HydrophobicContact CD2-CB 4.48Å; W77-N182 HydrophobicContact CE3-CB 3.74Å; W77-N182 HydrophobicContact CH2-CB 4.23Å; W77-N182 HydrophobicContact CZ3-CB 3.6Å; Y119-N182 HydrophobicContact CD2-CB 4.33Å; Y119-N182 HydrophobicContact CE1-CB 4.33Å; Y119-N182 WeakPolarHBondContact CE1-ND2 3.31Å; Y119-N182 HydrophobicContact CE2-CB 4.06Å; Y119-N182 PolarHBondContact OH-ND2 2.97Å; K178-N182 WeakPolarHBondContact O-CB 3.32Å; K178-N182 PolarHBondContact O-N 2.91Å; K178-N182 PolarHBondContact O-ND2 3.23Å; K178-N182 PolarHBondContact O-OD1 3.22Å; C179-N182 PolarHBondContact O-N 3.03Å; N182-G184 VanDerWaalsContact C-N 3.31Å; N182-G184 PolarHBondContact O-N 2.81Å; N182-D185 WeakPolarHBondContact O-CB 3.44Å; N182-D185 PolarHBondContact O-N 3.38Å; N182-L186 WeakPolarHBondContact O-CG 3.47Å; N182-L186 PolarHBondContact O-N 2.94Å |
| 183 | I | 93.8 | Very high | 91.1 | Very high | 0 Ų | 0 | 23.6 Ų | 23.6 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -62.4 | -42.3 | 174.6 | -66.4 | 163 | 0 | 0 | 0 | 110.2 | I116 Y119 Q120 I123 C179 L180 T181 D185 L186 F187 Y205 | I116-I183 HydrophobicContact CG2-CG2 4.16Å; Y119-I183 HydrophobicContact CG-CG1 4.37Å; Q120-I183 HydrophobicContact CG-CD1 4.05Å; I123-I183 HydrophobicContact CD1-CD1 3.71Å; C179-I183 VanDerWaalsContact O-CG1 3.23Å; C179-I183 WeakPolarHBondContact O-CG1 3.39Å; C179-I183 PolarHBondContact O-N 2.86Å; L180-I183 PolarHBondContact O-N 3.46Å; T181-I183 PolarHBondContact O-N 3.38Å; I183-D185 VanDerWaalsContact C-N 3.31Å; I183-D185 PolarHBondContact O-N 2.94Å; I183-L186 WeakPolarHBondContact O-CB 3.45Å; I183-L186 PolarHBondContact O-N 3.09Å; I183-F187 HydrophobicContact CG2-CD2 3.72Å; I183-F187 HydrophobicContact CG2-CE2 3.53Å; I183-F187 VanDerWaalsContact O-CD2 3.28Å; I183-F187 WeakPolarHBondContact O-CD2 3.47Å; I183-F187 PolarHBondContact O-N 2.97Å; I183-Y205 HydrophobicContact CB-CD1 3.84Å; I183-Y205 HydrophobicContact CB-CE1 4.13Å; I183-Y205 HydrophobicContact CB-CG 4.12Å; I183-Y205 HydrophobicContact CD1-CD1 4.25Å; I183-Y205 HydrophobicContact CD1-CE1 3.9Å; I183-Y205 HydrophobicContact CG2-CD1 3.54Å; I183-Y205 HydrophobicContact CG2-CD2 3.63Å; I183-Y205 HydrophobicContact CG2-CE1 3.56Å; I183-Y205 HydrophobicContact CG2-CE2 3.65Å; I183-Y205 HydrophobicContact CG2-CG 3.59Å |
| 184 | G | 93.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -56.7 | -44.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | L180 T181 N182 F187 R188 A202 Y206 | L180-G184 PolarHBondContact O-N 3.38Å; T181-G184 PolarHBondContact O-N 3.17Å; N182-G184 VanDerWaalsContact C-N 3.31Å; N182-G184 PolarHBondContact O-N 2.81Å; G184-F187 PolarHBondContact O-N 3.15Å; G184-R188 WeakPolarHBondContact O-CB 3.2Å; G184-R188 PolarHBondContact O-N 3.31Å; G184-A202 WeakPolarHBondContact O-CB 3.48Å; G184-Y206 PolarHBondContact O-OH 3.47Å |
| 185 | D | 96 | Very high | 91.1 | Very high | 16 Ų | 16 | 21.4 Ų | 21.4 | 9% | 0.086 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.8 | -42.1 | 175.9 | -83.7 | 19.6 | 0 | 0 | 0 | 112.7 | W77 T181 N182 I183 R188 Y189 Y206 Q222 | W77-D185 HydrophobicContact CH2-CB 3.56Å; W77-D185 HydrophobicContact CZ2-CB 3.94Å; T181-D185 PolarHBondContact O-N 2.95Å; N182-D185 WeakPolarHBondContact O-CB 3.44Å; N182-D185 PolarHBondContact O-N 3.38Å; I183-D185 VanDerWaalsContact C-N 3.31Å; I183-D185 PolarHBondContact O-N 2.94Å; D185-R188 WeakPolarHBondContact O-CB 3.42Å; D185-R188 PolarHBondContact O-N 3.03Å; D185-R188 VanDerWaalsContact O-N 3.17Å; D185-R188 IonicContact OD1-NH2 3.81Å; D185-R188 IonicContact OD2-NH2 3.7Å; D185-Y189 HydrophobicContact CB-CE2 4.2Å; D185-Y189 WeakPolarHBondContact O-CD1 3.35Å; D185-Y189 VanDerWaalsContact O-CD2 3.24Å; D185-Y189 WeakPolarHBondContact O-CD2 3.34Å; D185-Y189 PolarHBondContact O-N 2.97Å; D185-Y206 VanDerWaalsContact CA-OH 3.26Å; D185-Y206 WeakPolarHBondContact CA-OH 3.1Å; D185-Y206 PolarHBondContact N-OH 3.34Å; D185-Y206 VanDerWaalsContact N-OH 3.14Å; D185-Y206 VanDerWaalsContact OD1-CE1 3.3Å; D185-Y206 WeakPolarHBondContact OD1-CE1 3.28Å; D185-Y206 VanDerWaalsContact OD1-CZ 3.3Å; D185-Y206 PolarHBondContact OD1-OH 3.35Å; D185-Q222 PolarHBondContact OD1-NE2 2.96Å; D185-Q222 PolarHBondContact OD2-NE2 3.49Å |
| 186 | L | 96.8 | Very high | 90.6 | Very high | 3 Ų | 3 | 26.3 Ų | 26.3 | 2% | 0.016 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 176.5 | -71.5 | 166.9 | 0 | 0 | 0 | 111.4 | W77 I112 A115 I116 Y119 N182 I183 Y189 L190 | W77-L186 HydrophobicContact CH2-CD2 4.42Å; W77-L186 HydrophobicContact CH2-CG 4.24Å; W77-L186 HydrophobicContact CZ3-CD1 4.23Å; W77-L186 HydrophobicContact CZ3-CD2 4.07Å; W77-L186 HydrophobicContact CZ3-CG 3.88Å; I112-L186 HydrophobicContact CG1-CD2 4.4Å; I112-L186 HydrophobicContact CG2-CB 3.89Å; I112-L186 HydrophobicContact CG2-CD2 4Å; I112-L186 WeakPolarHBondContact CG2-O 3.35Å; A115-L186 HydrophobicContact CB-CD1 3.59Å; A115-L186 HydrophobicContact CB-CD2 3.79Å; A115-L186 HydrophobicContact CB-CG 4.35Å; I116-L186 HydrophobicContact CD1-CB 4.13Å; I116-L186 HydrophobicContact CG1-CB 3.68Å; I116-L186 HydrophobicContact CG1-CD1 3.95Å; I116-L186 HydrophobicContact CG1-CG 4.43Å; Y119-L186 HydrophobicContact CD2-CD1 3.86Å; Y119-L186 HydrophobicContact CE2-CD1 4.2Å; N182-L186 WeakPolarHBondContact O-CG 3.47Å; N182-L186 PolarHBondContact O-N 2.94Å; I183-L186 WeakPolarHBondContact O-CB 3.45Å; I183-L186 PolarHBondContact O-N 3.09Å; L186-Y189 HydrophobicContact CD2-CD2 4.44Å; L186-Y189 WeakPolarHBondContact O-CB 3.46Å; L186-Y189 PolarHBondContact O-N 2.93Å; L186-L190 PolarHBondContact O-N 3.45Å |
| 187 | F | 94.7 | Very high | 90.3 | Very high | 2 Ų | 2 | 28.2 Ų | 28.2 | 1% | 0.009 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.6 | -41.3 | 172 | -80.1 | -65.2 | 0 | 0 | 0 | 111.9 | I116 L146 I183 G184 Y189 L190 I191 A198 L201 A202 Y205 | I116-F187 HydrophobicContact CD1-CD1 4.05Å; I116-F187 HydrophobicContact CD1-CD2 4.27Å; I116-F187 HydrophobicContact CD1-CE1 3.8Å; I116-F187 HydrophobicContact CD1-CE2 4.03Å; I116-F187 HydrophobicContact CD1-CG 4.27Å; I116-F187 HydrophobicContact CD1-CZ 3.8Å; I116-F187 HydrophobicContact CG1-CE2 4.42Å; I116-F187 HydrophobicContact CG2-CE2 4.06Å; I116-F187 HydrophobicContact CG2-CZ 4.04Å; L146-F187 HydrophobicContact CD1-CE1 3.9Å; L146-F187 HydrophobicContact CD1-CZ 3.57Å; I183-F187 HydrophobicContact CG2-CD2 3.72Å; I183-F187 HydrophobicContact CG2-CE2 3.53Å; I183-F187 VanDerWaalsContact O-CD2 3.28Å; I183-F187 WeakPolarHBondContact O-CD2 3.47Å; I183-F187 PolarHBondContact O-N 2.97Å; G184-F187 PolarHBondContact O-N 3.15Å; F187-Y189 PolarHBondContact O-N 3.1Å; F187-L190 HydrophobicContact CD1-CD1 4.03Å; F187-L190 HydrophobicContact CE1-CD1 4.4Å; F187-L190 WeakPolarHBondContact O-CB 3.47Å; F187-L190 PolarHBondContact O-N 3.35Å; F187-I191 PolarHBondContact O-N 3.07Å; F187-A198 WeakPolarHBondContact O-CB 3.29Å; F187-L201 HydrophobicContact CB-CB 4.41Å; F187-L201 HydrophobicContact CD1-CB 3.73Å; F187-L201 HydrophobicContact CD1-CD1 3.87Å; F187-L201 HydrophobicContact CD1-CG 4.46Å; F187-L201 HydrophobicContact CD2-CB 3.89Å; F187-L201 HydrophobicContact CE1-CB 3.89Å; F187-L201 HydrophobicContact CE1-CD1 3.32Å; F187-L201 HydrophobicContact CE1-CG 4.22Å; F187-L201 HydrophobicContact CE2-CB 4.04Å; F187-L201 HydrophobicContact CG-CB 3.74Å; F187-L201 HydrophobicContact CZ-CB 4.02Å; F187-L201 HydrophobicContact CZ-CD1 3.69Å; F187-L201 HydrophobicContact CZ-CG 4.38Å; F187-A202 HydrophobicContact CB-CB 3.8Å; F187-Y205 AromaticContact CD2-CD2 3.7Å; F187-Y205 HydrophobicContact CD2-CD2 3.7Å; F187-Y205 AromaticContact CD2-CE2 3.95Å; F187-Y205 HydrophobicContact CD2-CE2 3.95Å; F187-Y205 AromaticContact CE2-CD2 3.6Å; F187-Y205 HydrophobicContact CE2-CD2 3.6Å; F187-Y205 AromaticContact CE2-CE2 3.32Å; F187-Y205 HydrophobicContact CE2-CE2 3.32Å; F187-Y205 HydrophobicContact CZ-CE2 4.22Å |
| 188 | R | 94.5 | Very high | 90.2 | Very high | 48 Ų | 48 | 27.8 Ų | 27.8 | 18% | 0.181 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.9 | -36.8 | 175.7 | -175.7 | 179.4 | 63.8 | 143.6 | -1.5 | 111.8 | G184 D185 I191 A202 I225 L226 | G184-R188 WeakPolarHBondContact O-CB 3.2Å; G184-R188 PolarHBondContact O-N 3.31Å; D185-R188 WeakPolarHBondContact O-CB 3.42Å; D185-R188 PolarHBondContact O-N 3.03Å; D185-R188 VanDerWaalsContact O-N 3.17Å; D185-R188 IonicContact OD1-NH2 3.81Å; D185-R188 IonicContact OD2-NH2 3.7Å; R188-I191 HydrophobicContact CG-CD1 4.32Å; R188-I191 VanDerWaalsContact O-CB 3.3Å; R188-I191 WeakPolarHBondContact O-CB 3.39Å; R188-I191 WeakPolarHBondContact O-CG1 3.29Å; R188-I191 PolarHBondContact O-N 3.37Å; R188-A202 HydrophobicContact CB-CB 4.34Å; R188-I225 VanDerWaalsContact NH1-CD1 3.31Å; R188-L226 HydrophobicContact CG-CD2 3.99Å |
| 189 | Y | 95.5 | Very high | 89.9 | Confident | 13 Ų | 13 | 27.7 Ų | 27.7 | 5% | 0.051 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -68 | -31.3 | 174.5 | -58.4 | -27.7 | 0 | 0 | 0 | 113.2 | W77 Y82 Y85 D185 L186 F187 I191 D192 | W77-Y189 AromaticContact CH2-CE2 3.96Å; W77-Y189 HydrophobicContact CH2-CE2 3.96Å; W77-Y189 HydrophobicContact CZ2-CE2 4.24Å; Y82-Y189 HydrophobicContact CD2-CE2 4.13Å; Y82-Y189 AromaticContact CE2-CZ 4Å; Y82-Y189 WeakPolarHBondContact CE2-OH 3.37Å; Y85-Y189 HydrophobicContact CD1-CD1 4.13Å; Y85-Y189 HydrophobicContact CD1-CD2 4.25Å; Y85-Y189 HydrophobicContact CD1-CE1 4.13Å; Y85-Y189 HydrophobicContact CD1-CE2 4.28Å; Y85-Y189 HydrophobicContact CD1-CG 4.21Å; Y85-Y189 HydrophobicContact CD2-CD1 4.33Å; Y85-Y189 HydrophobicContact CD2-CD2 4.22Å; Y85-Y189 AromaticContact CD2-CG 3.88Å; Y85-Y189 HydrophobicContact CD2-CG 3.88Å; Y85-Y189 AromaticContact CE1-CD1 3.5Å; Y85-Y189 HydrophobicContact CE1-CD1 3.5Å; Y85-Y189 VanDerWaalsContact CE1-CD1 3.5Å; Y85-Y189 HydrophobicContact CE1-CD2 4.43Å; Y85-Y189 AromaticContact CE1-CE1 3.58Å; Y85-Y189 HydrophobicContact CE1-CE1 3.58Å; Y85-Y189 AromaticContact CE1-CG 3.98Å; Y85-Y189 HydrophobicContact CE1-CG 3.98Å; Y85-Y189 AromaticContact CE2-CD1 3.76Å; Y85-Y189 HydrophobicContact CE2-CD1 3.76Å; Y85-Y189 HydrophobicContact CE2-CD2 4.43Å; Y85-Y189 AromaticContact CE2-CG 3.65Å; Y85-Y189 HydrophobicContact CE2-CG 3.65Å; Y85-Y189 HydrophobicContact CG-CD1 4.5Å; Y85-Y189 HydrophobicContact CG-CD2 4.13Å; Y85-Y189 HydrophobicContact CG-CG 4.15Å; Y85-Y189 AromaticContact CZ-CD1 3.26Å; Y85-Y189 AromaticContact CZ-CE1 3.85Å; Y85-Y189 AromaticContact CZ-CG 3.67Å; Y85-Y189 WeakPolarHBondContact OH-CD1 3.48Å; D185-Y189 HydrophobicContact CB-CE2 4.2Å; D185-Y189 WeakPolarHBondContact O-CD1 3.35Å; D185-Y189 VanDerWaalsContact O-CD2 3.24Å; D185-Y189 WeakPolarHBondContact O-CD2 3.34Å; D185-Y189 PolarHBondContact O-N 2.97Å; L186-Y189 HydrophobicContact CD2-CD2 4.44Å; L186-Y189 WeakPolarHBondContact O-CB 3.46Å; L186-Y189 PolarHBondContact O-N 2.93Å; F187-Y189 PolarHBondContact O-N 3.1Å; Y189-I191 PolarHBondContact O-N 3.01Å; Y189-D192 WeakPolarHBondContact O-CB 3.45Å; Y189-D192 PolarHBondContact O-N 3Å |
| 190 | L | 93.6 | Very high | 89.3 | Confident | 6 Ų | 6 | 32.4 Ų | 32.4 | 3% | 0.031 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -68.2 | -21.2 | 174.2 | -68 | 175 | 0 | 0 | 0 | 113.3 | A109 I112 L113 I116 L186 F187 D192 F193 G194 D195 A198 | A109-L190 HydrophobicContact CB-CD2 4.21Å; I112-L190 HydrophobicContact CB-CD2 4.06Å; I112-L190 HydrophobicContact CD1-CD2 4.26Å; I112-L190 HydrophobicContact CG2-CD1 4.06Å; I112-L190 HydrophobicContact CG2-CD2 3.81Å; I112-L190 HydrophobicContact CG2-CG 3.71Å; L113-L190 HydrophobicContact CD2-CD1 4.11Å; I116-L190 HydrophobicContact CD1-CD1 4.02Å; L186-L190 PolarHBondContact O-N 3.45Å; F187-L190 HydrophobicContact CD1-CD1 4.03Å; F187-L190 HydrophobicContact CE1-CD1 4.4Å; F187-L190 WeakPolarHBondContact O-CB 3.47Å; F187-L190 PolarHBondContact O-N 3.35Å; L190-D192 PolarHBondContact O-N 3.34Å; L190-F193 HydrophobicContact CD2-CD2 4.08Å; L190-F193 PolarHBondContact O-N 3.42Å; L190-G194 PolarHBondContact O-N 3.44Å; L190-D195 HydrophobicContact CB-CB 4.09Å; L190-D195 PolarHBondContact O-N 3.4Å; L190-A198 HydrophobicContact CB-CB 3.84Å |
| 191 | I | 90.6 | Very high | 89.1 | Confident | 46 Ų | 46 | 33.3 Ų | 33.3 | 24% | 0.236 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.4 | -38.2 | 173.8 | -57.1 | 173.4 | 0 | 0 | 0 | 110.4 | F187 R188 Y189 F193 G194 A198 K199 L226 | F187-I191 PolarHBondContact O-N 3.07Å; R188-I191 HydrophobicContact CG-CD1 4.32Å; R188-I191 VanDerWaalsContact O-CB 3.3Å; R188-I191 WeakPolarHBondContact O-CB 3.39Å; R188-I191 WeakPolarHBondContact O-CG1 3.29Å; R188-I191 PolarHBondContact O-N 3.37Å; Y189-I191 PolarHBondContact O-N 3.01Å; I191-F193 PolarHBondContact O-N 2.97Å; I191-G194 PolarHBondContact O-N 3.01Å; I191-G194 VanDerWaalsContact O-N 3.12Å; I191-A198 HydrophobicContact CG1-CB 3.81Å; I191-K199 HydrophobicContact CD1-CB 3.86Å; I191-K199 HydrophobicContact CD1-CG 4.18Å; I191-K199 HydrophobicContact CG1-CB 4.29Å; I191-L226 HydrophobicContact CD1-CD2 3.75Å |
| 192 | D | 87.9 | Confident | 88.8 | Confident | 74 Ų | 74 | 33.2 Ų | 33.2 | 40% | 0.396 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -60.1 | -19.1 | 177.6 | -70.2 | -28.7 | 0 | 0 | 0 | 112.5 | Y85 K89 Y189 L190 | Y85-D192 PolarHBondContact OH-OD2 3Å; K89-D192 WeakPolarHBondContact CE-OD2 3.31Å; K89-D192 IonicContact NZ-OD1 3.79Å; K89-D192 IonicContact NZ-OD2 2.98Å; K89-D192 PolarHBondContact NZ-OD2 2.93Å; Y189-D192 WeakPolarHBondContact O-CB 3.45Å; Y189-D192 PolarHBondContact O-N 3Å; L190-D192 PolarHBondContact O-N 3.34Å |
| 193 | F | 87 | Confident | 88.2 | Confident | 33 Ų | 33 | 34.1 Ų | 34.1 | 15% | 0.145 | 19% | 0.187 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.5 | 6.1 | -177.1 | -47.8 | -33.3 | 0 | 0 | 0 | 113.6 | Y85 Y88 E105 L108 A109 I112 L190 I191 | Y85-F193 HydrophobicContact CE2-CZ 4.44Å; Y88-F193 HydrophobicContact CD1-CE1 4.36Å; Y88-F193 HydrophobicContact CD1-CZ 4.38Å; Y88-F193 AromaticContact CE1-CE1 3.63Å; Y88-F193 HydrophobicContact CE1-CE1 3.63Å; Y88-F193 HydrophobicContact CE1-CZ 4.07Å; Y88-F193 HydrophobicContact CE2-CE1 4.28Å; Y88-F193 AromaticContact CZ-CE1 3.58Å; E105-F193 HydrophobicContact CB-CD1 4.08Å; E105-F193 HydrophobicContact CB-CE1 4.39Å; E105-F193 HydrophobicContact CG-CD1 3.84Å; E105-F193 HydrophobicContact CG-CE1 3.93Å; L108-F193 HydrophobicContact CB-CE2 4.42Å; L108-F193 HydrophobicContact CB-CZ 4.49Å; L108-F193 HydrophobicContact CD2-CE2 4.12Å; L108-F193 HydrophobicContact CD2-CZ 3.57Å; L108-F193 HydrophobicContact CG-CE2 4.02Å; L108-F193 HydrophobicContact CG-CZ 4Å; A109-F193 HydrophobicContact CB-CD2 4.16Å; I112-F193 HydrophobicContact CD1-CE2 3.8Å; L190-F193 HydrophobicContact CD2-CD2 4.08Å; L190-F193 PolarHBondContact O-N 3.42Å; I191-F193 PolarHBondContact O-N 2.97Å |
| 194 | G | 83.2 | Confident | 87.5 | Confident | 66 Ų | 66 | 39 Ų | 39 | 68% | 0.68 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 85 | 17.9 | 174.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | L190 I191 S196 | L190-G194 PolarHBondContact O-N 3.44Å; I191-G194 PolarHBondContact O-N 3.01Å; I191-G194 VanDerWaalsContact O-N 3.12Å; G194-S196 PolarHBondContact O-N 3.49Å |
| 195 | D | 83.3 | Confident | 87 | Confident | 54 Ų | 54 | 39.3 Ų | 39.3 | 29% | 0.289 | 21% | 0.207 | S | C | . | . | trans | -68.6 | 114.9 | 172.6 | -176.9 | -32.4 | 0 | 0 | 0 | 110.3 | L190 N197 A198 | L190-D195 HydrophobicContact CB-CB 4.09Å; L190-D195 PolarHBondContact O-N 3.4Å; D195-N197 VanDerWaalsContact C-N 3.3Å; D195-N197 PolarHBondContact O-N 3.39Å; D195-N197 PolarHBondContact OD1-N 3.14Å; D195-A198 HydrophobicContact CB-CB 3.68Å; D195-A198 WeakPolarHBondContact O-CB 3.43Å; D195-A198 PolarHBondContact O-N 3.39Å; D195-A198 PolarHBondContact OD1-N 2.91Å | ||
| 196 | S | 79 | Confident | 86.6 | Confident | 106 Ų | 106 | 38.5 Ų | 38.5 | 74% | 0.741 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -25.7 | -175.6 | 64.1 | 0 | 0 | 0 | 0 | 113.8 | G194 | G194-S196 PolarHBondContact O-N 3.49Š|
| 197 | N | 78.7 | Confident | 85.7 | Confident | 41 Ų | 41 | 42.4 Ų | 42.4 | 22% | 0.219 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.1 | -20.5 | 179.7 | -78 | -56.2 | 0 | 0 | 0 | 112.6 | D195 K199 R200 L201 | D195-N197 VanDerWaalsContact C-N 3.3Å; D195-N197 PolarHBondContact O-N 3.39Å; D195-N197 PolarHBondContact OD1-N 3.14Å; N197-K199 VanDerWaalsContact C-N 3.33Å; N197-K199 PolarHBondContact O-N 2.98Å; N197-R200 PolarHBondContact O-N 3.14Å; N197-R200 VanDerWaalsContact O-N 3.1Å; N197-R200 PolarHBondContact OD1-NH2 3.43Å; N197-L201 HydrophobicContact CB-CD1 4.14Å; N197-L201 WeakPolarHBondContact O-CG 3.48Å; N197-L201 PolarHBondContact O-N 3.07Å |
| 198 | A | 85.7 | Confident | 84.8 | Confident | 0 Ų | 0 | 42.4 Ų | 42.4 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -53.2 | -43.9 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.9 | F187 L190 I191 D195 R200 L201 A202 | F187-A198 WeakPolarHBondContact O-CB 3.29Å; L190-A198 HydrophobicContact CB-CB 3.84Å; I191-A198 HydrophobicContact CG1-CB 3.81Å; D195-A198 HydrophobicContact CB-CB 3.68Å; D195-A198 WeakPolarHBondContact O-CB 3.43Å; D195-A198 PolarHBondContact O-N 3.39Å; D195-A198 PolarHBondContact OD1-N 2.91Å; A198-R200 PolarHBondContact O-N 2.88Å; A198-L201 PolarHBondContact O-N 3.25Å; A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.11Å |
| 199 | K | 84.9 | Confident | 84.2 | Confident | 62 Ų | 62 | 40.1 Ų | 40.1 | 27% | 0.27 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -61.4 | -44.9 | 178.3 | -171.2 | 179.8 | -175 | -176.9 | 0 | 112.4 | I191 N197 Y203 L226 R230 D627 | I191-K199 HydrophobicContact CD1-CB 3.86Å; I191-K199 HydrophobicContact CD1-CG 4.18Å; I191-K199 HydrophobicContact CG1-CB 4.29Å; N197-K199 VanDerWaalsContact C-N 3.33Å; N197-K199 PolarHBondContact O-N 2.98Å; K199-Y203 PolarHBondContact O-N 2.88Å; K199-Y203 VanDerWaalsContact O-N 3.14Å; K199-L226 HydrophobicContact CG-CD2 4.47Å; K199-R230 VanDerWaalsContact CE-CZ 3.45Å; K199-D627 IonicContact NZ-OD2 3.28Å; K199-D627 PolarHBondContact NZ-OD2 2.89Å |
| 200 | R | 79.9 | Confident | 83.3 | Confident | 99 Ų | 99 | 40.8 Ų | 40.8 | 37% | 0.374 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -64.4 | -42.7 | 178.1 | -176.9 | 174.5 | 63.1 | 110.6 | -1.1 | 110.9 | N197 A198 R204 | N197-R200 PolarHBondContact O-N 3.14Å; N197-R200 VanDerWaalsContact O-N 3.1Å; N197-R200 PolarHBondContact OD1-NH2 3.43Å; A198-R200 PolarHBondContact O-N 2.88Å; R200-R204 WeakPolarHBondContact O-CG 3.35Å; R200-R204 PolarHBondContact O-N 3.12Å; R200-R204 VanDerWaalsContact O-N 3.12Å |
| 201 | L | 83.9 | Confident | 82.2 | Confident | 21 Ų | 21 | 45 Ų | 45 | 11% | 0.11 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.9 | -45 | 178.7 | -67.6 | 172.6 | 0 | 0 | 0 | 111.7 | F187 N197 A198 Y203 R204 Y205 | F187-L201 HydrophobicContact CB-CB 4.41Å; F187-L201 HydrophobicContact CD1-CB 3.73Å; F187-L201 HydrophobicContact CD1-CD1 3.87Å; F187-L201 HydrophobicContact CD1-CG 4.46Å; F187-L201 HydrophobicContact CD2-CB 3.89Å; F187-L201 HydrophobicContact CE1-CB 3.89Å; F187-L201 HydrophobicContact CE1-CD1 3.32Å; F187-L201 HydrophobicContact CE1-CG 4.22Å; F187-L201 HydrophobicContact CE2-CB 4.04Å; F187-L201 HydrophobicContact CG-CB 3.74Å; F187-L201 HydrophobicContact CZ-CB 4.02Å; F187-L201 HydrophobicContact CZ-CD1 3.69Å; F187-L201 HydrophobicContact CZ-CG 4.38Å; N197-L201 HydrophobicContact CB-CD1 4.14Å; N197-L201 WeakPolarHBondContact O-CG 3.48Å; N197-L201 PolarHBondContact O-N 3.07Å; A198-L201 PolarHBondContact O-N 3.25Å; L201-Y203 VanDerWaalsContact C-N 3.3Å; L201-Y203 PolarHBondContact O-N 3.44Å; L201-R204 WeakPolarHBondContact O-CB 3.29Å; L201-R204 PolarHBondContact O-N 3.34Å; L201-R204 VanDerWaalsContact O-N 3.11Å; L201-Y205 VanDerWaalsContact O-CD2 3.28Å; L201-Y205 WeakPolarHBondContact O-CD2 3.41Å; L201-Y205 PolarHBondContact O-N 3.39Å |
| 202 | A | 87.6 | Confident | 81.4 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -54 | -48.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | G184 F187 R188 A198 R204 Y205 Y206 L226 | G184-A202 WeakPolarHBondContact O-CB 3.48Å; F187-A202 HydrophobicContact CB-CB 3.8Å; R188-A202 HydrophobicContact CB-CB 4.34Å; A198-A202 WeakPolarHBondContact O-CB 3.36Å; A198-A202 PolarHBondContact O-N 3.11Å; A202-R204 PolarHBondContact O-N 2.89Å; A202-Y205 PolarHBondContact O-N 3.37Å; A202-Y206 HydrophobicContact CB-CE2 4.1Å; A202-Y206 WeakPolarHBondContact O-CD2 3.21Å; A202-Y206 PolarHBondContact O-N 2.89Å; A202-L226 HydrophobicContact CB-CD1 3.93Å; A202-L226 HydrophobicContact CB-CD2 4.39Å |
| 203 | Y | 83.1 | Confident | 80.9 | Confident | 26 Ų | 26 | 41.4 Ų | 41.4 | 10% | 0.102 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -57.7 | -45.3 | 176.5 | -173.2 | -91.7 | 0 | 0 | 0 | 112.8 | K199 L201 Y205 Y206 K207 L223 L630 | K199-Y203 PolarHBondContact O-N 2.88Å; K199-Y203 VanDerWaalsContact O-N 3.14Å; L201-Y203 VanDerWaalsContact C-N 3.3Å; L201-Y203 PolarHBondContact O-N 3.44Å; Y203-Y205 PolarHBondContact O-N 3.47Å; Y203-Y206 PolarHBondContact O-N 2.92Å; Y203-K207 HydrophobicContact CD1-CD 4.05Å; Y203-K207 HydrophobicContact CD1-CG 4.38Å; Y203-K207 HydrophobicContact CE1-CD 3.44Å; Y203-K207 VanDerWaalsContact CE1-CD 3.44Å; Y203-K207 HydrophobicContact CE1-CG 4.08Å; Y203-K207 PolarHBondContact O-N 2.72Å; Y203-K207 WeakPolarHBondContact OH-CE 3.43Å; Y203-K207 PolarHBondContact OH-NZ 2.82Å; Y203-L223 HydrophobicContact CD2-CD2 3.3Å; Y203-L223 HydrophobicContact CE2-CD2 3.59Å; Y203-L223 HydrophobicContact CG-CD2 4.01Å; Y203-L630 HydrophobicContact CE1-CD2 4.26Å |
| 204 | R | 77.8 | Confident | 80.4 | Confident | 102 Ų | 102 | 41.5 Ų | 41.5 | 39% | 0.385 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -60.8 | -44.4 | 177 | -73.1 | -175.7 | 71.9 | 171.1 | 6.9 | 112 | R200 L201 A202 K207 A208 | R200-R204 WeakPolarHBondContact O-CG 3.35Å; R200-R204 PolarHBondContact O-N 3.12Å; R200-R204 VanDerWaalsContact O-N 3.12Å; L201-R204 WeakPolarHBondContact O-CB 3.29Å; L201-R204 PolarHBondContact O-N 3.34Å; L201-R204 VanDerWaalsContact O-N 3.11Å; A202-R204 PolarHBondContact O-N 2.89Å; R204-K207 PolarHBondContact O-N 2.97Å; R204-A208 WeakPolarHBondContact O-CB 3.23Å; R204-A208 PolarHBondContact O-N 3.22Å |
| 205 | Y | 83.5 | Confident | 80.4 | Confident | 7 Ų | 7 | 41.3 Ų | 41.3 | 3% | 0.027 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -68.9 | -35.3 | -179.5 | -84.5 | -76.3 | 0 | 0 | 0 | 113.3 | Q120 L180 I183 F187 L201 A202 Y203 A208 A209 | Q120-Y205 PolarHBondContact NE2-OH 3.07Å; L180-Y205 HydrophobicContact CD2-CD1 3.62Å; L180-Y205 HydrophobicContact CD2-CE1 3.93Å; I183-Y205 HydrophobicContact CB-CD1 3.84Å; I183-Y205 HydrophobicContact CB-CE1 4.13Å; I183-Y205 HydrophobicContact CB-CG 4.12Å; I183-Y205 HydrophobicContact CD1-CD1 4.25Å; I183-Y205 HydrophobicContact CD1-CE1 3.9Å; I183-Y205 HydrophobicContact CG2-CD1 3.54Å; I183-Y205 HydrophobicContact CG2-CD2 3.63Å; I183-Y205 HydrophobicContact CG2-CE1 3.56Å; I183-Y205 HydrophobicContact CG2-CE2 3.65Å; I183-Y205 HydrophobicContact CG2-CG 3.59Å; F187-Y205 AromaticContact CD2-CD2 3.7Å; F187-Y205 HydrophobicContact CD2-CD2 3.7Å; F187-Y205 AromaticContact CD2-CE2 3.95Å; F187-Y205 HydrophobicContact CD2-CE2 3.95Å; F187-Y205 AromaticContact CE2-CD2 3.6Å; F187-Y205 HydrophobicContact CE2-CD2 3.6Å; F187-Y205 AromaticContact CE2-CE2 3.32Å; F187-Y205 HydrophobicContact CE2-CE2 3.32Å; F187-Y205 HydrophobicContact CZ-CE2 4.22Å; L201-Y205 VanDerWaalsContact O-CD2 3.28Å; L201-Y205 WeakPolarHBondContact O-CD2 3.41Å; L201-Y205 PolarHBondContact O-N 3.39Å; A202-Y205 PolarHBondContact O-N 3.37Å; Y203-Y205 PolarHBondContact O-N 3.47Å; Y205-A208 WeakPolarHBondContact O-CB 3.37Å; Y205-A209 PolarHBondContact O-N 3.11Å |
| 206 | Y | 87.1 | Confident | 80.6 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -70 | -41.6 | 172.6 | -61.5 | -47.4 | 0 | 0 | 0 | 112.5 | T181 G184 D185 A202 Y203 A208 A209 Q222 L223 L226 | T181-Y206 HydrophobicContact CG2-CD1 4.43Å; T181-Y206 HydrophobicContact CG2-CE1 4.29Å; T181-Y206 WeakPolarHBondContact O-CE1 3.31Å; G184-Y206 PolarHBondContact O-OH 3.47Å; D185-Y206 VanDerWaalsContact CA-OH 3.26Å; D185-Y206 WeakPolarHBondContact CA-OH 3.1Å; D185-Y206 PolarHBondContact N-OH 3.34Å; D185-Y206 VanDerWaalsContact N-OH 3.14Å; D185-Y206 VanDerWaalsContact OD1-CE1 3.3Å; D185-Y206 WeakPolarHBondContact OD1-CE1 3.28Å; D185-Y206 VanDerWaalsContact OD1-CZ 3.3Å; D185-Y206 PolarHBondContact OD1-OH 3.35Å; A202-Y206 HydrophobicContact CB-CE2 4.1Å; A202-Y206 WeakPolarHBondContact O-CD2 3.21Å; A202-Y206 PolarHBondContact O-N 2.89Å; Y203-Y206 PolarHBondContact O-N 2.92Å; Y206-A208 VanDerWaalsContact C-N 3.28Å; Y206-A208 PolarHBondContact O-N 2.72Å; Y206-A209 WeakPolarHBondContact O-CB 3.33Å; Y206-A209 PolarHBondContact O-N 2.98Å; Y206-Q222 HydrophobicContact CD1-CB 3.75Å; Y206-Q222 HydrophobicContact CD1-CG 4.13Å; Y206-Q222 HydrophobicContact CD2-CB 3.9Å; Y206-Q222 HydrophobicContact CE1-CB 3.42Å; Y206-Q222 VanDerWaalsContact CE1-CB 3.42Å; Y206-Q222 HydrophobicContact CE1-CG 3.61Å; Y206-Q222 HydrophobicContact CE2-CB 3.58Å; Y206-Q222 HydrophobicContact CG-CB 3.98Å; Y206-L223 HydrophobicContact CD2-CD2 4.16Å; Y206-L223 HydrophobicContact CD2-CG 4.39Å; Y206-L226 HydrophobicContact CD2-CD1 3.77Å; Y206-L226 HydrophobicContact CE2-CD1 3.67Å; Y206-L226 HydrophobicContact CE2-CG 4.23Å |
| 207 | K | 77.7 | Confident | 81.2 | Confident | 84 Ų | 84 | 36.2 Ų | 36.2 | 37% | 0.365 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.9 | -42.7 | 173.5 | -83.8 | -165.8 | 164.2 | 177.9 | 0 | 111.9 | Y203 R204 A209 F210 | Y203-K207 HydrophobicContact CD1-CD 4.05Å; Y203-K207 HydrophobicContact CD1-CG 4.38Å; Y203-K207 HydrophobicContact CE1-CD 3.44Å; Y203-K207 VanDerWaalsContact CE1-CD 3.44Å; Y203-K207 HydrophobicContact CE1-CG 4.08Å; Y203-K207 PolarHBondContact O-N 2.72Å; Y203-K207 WeakPolarHBondContact OH-CE 3.43Å; Y203-K207 PolarHBondContact OH-NZ 2.82Å; R204-K207 PolarHBondContact O-N 2.97Å; K207-A209 PolarHBondContact O-N 3.34Å; K207-F210 WeakPolarHBondContact O-CB 3.43Å; K207-F210 WeakPolarHBondContact O-CD2 3.38Å; K207-F210 PolarHBondContact O-N 3.39Å; K207-F210 VanDerWaalsContact O-N 3.16Å |
| 208 | A | 77.5 | Confident | 82 | Confident | 2 Ų | 2 | 35.8 Ų | 35.8 | 2% | 0.017 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -55.8 | -33.9 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | W141 L180 R204 Y205 Y206 F210 Y211 | W141-A208 HydrophobicContact CH2-CB 3.18Å; W141-A208 HydrophobicContact CZ2-CB 4.26Å; W141-A208 HydrophobicContact CZ3-CB 3.38Å; L180-A208 HydrophobicContact CD1-CB 4.26Å; L180-A208 HydrophobicContact CD2-CB 4.2Å; R204-A208 WeakPolarHBondContact O-CB 3.23Å; R204-A208 PolarHBondContact O-N 3.22Å; Y205-A208 WeakPolarHBondContact O-CB 3.37Å; Y206-A208 VanDerWaalsContact C-N 3.28Å; Y206-A208 PolarHBondContact O-N 2.72Å; A208-F210 VanDerWaalsContact C-N 3.26Å; A208-F210 PolarHBondContact O-N 3.05Å; A208-Y211 HydrophobicContact CB-CD2 4.46Å; A208-Y211 WeakPolarHBondContact O-CB 3.49Å; A208-Y211 VanDerWaalsContact O-CD2 3.29Å; A208-Y211 WeakPolarHBondContact O-CD2 3.39Å; A208-Y211 PolarHBondContact O-N 2.95Å |
| 209 | A | 81.9 | Confident | 82.3 | Confident | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -61.9 | -34.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | H177 L180 Y205 Y206 K207 Y211 F212 D213 P219 | H177-A209 PolarHBondContact CD2-O 3.34Å; H177-A209 VanDerWaalsContact CD2-O 3.24Å; L180-A209 HydrophobicContact CB-CB 4.2Å; Y205-A209 PolarHBondContact O-N 3.11Å; Y206-A209 WeakPolarHBondContact O-CB 3.33Å; Y206-A209 PolarHBondContact O-N 2.98Å; K207-A209 PolarHBondContact O-N 3.34Å; A209-Y211 PolarHBondContact O-N 3.47Å; A209-Y211 VanDerWaalsContact O-N 3.16Å; A209-F212 PolarHBondContact O-N 2.9Å; A209-D213 PolarHBondContact O-N 3.34Å; A209-P219 HydrophobicContact CB-CB 4.12Å; A209-P219 HydrophobicContact CB-CG 3.71Å |
| 210 | F | 75.2 | Confident | 82.7 | Confident | 28 Ų | 28 | 33.7 Ų | 33.7 | 12% | 0.123 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.1 | -18.1 | 179.5 | -60.5 | -55.5 | 0 | 0 | 0 | 114 | K207 A208 F212 P214 P219 H220 L223 | K207-F210 WeakPolarHBondContact O-CB 3.43Å; K207-F210 WeakPolarHBondContact O-CD2 3.38Å; K207-F210 PolarHBondContact O-N 3.39Å; K207-F210 VanDerWaalsContact O-N 3.16Å; A208-F210 VanDerWaalsContact C-N 3.26Å; A208-F210 PolarHBondContact O-N 3.05Å; F210-F212 PolarHBondContact O-N 2.94Å; F210-P214 WeakPolarHBondContact O-CD 3.48Å; F210-P219 HydrophobicContact CD1-CB 4.44Å; F210-P219 HydrophobicContact CD1-CG 4.48Å; F210-P219 HydrophobicContact CE1-CB 3.74Å; F210-P219 HydrophobicContact CE1-CG 4.03Å; F210-P219 HydrophobicContact CE2-CB 4.28Å; F210-P219 HydrophobicContact CZ-CB 3.64Å; F210-P219 HydrophobicContact CZ-CG 4.43Å; F210-H220 AromaticContact CE1-CD2 3.62Å; F210-H220 AromaticContact CE1-CE1 3.94Å; F210-H220 AromaticContact CE1-CG 3.89Å; F210-H220 AromaticContact CE1-NE2 3.71Å; F210-H220 AromaticContact CE2-CE1 3.83Å; F210-H220 AromaticContact CE2-ND1 3.9Å; F210-H220 HydrophobicContact CZ-CB 4.24Å; F210-H220 AromaticContact CZ-CD2 3.63Å; F210-H220 AromaticContact CZ-CE1 3.37Å; F210-H220 WeakPolarHBondContact CZ-CE1 3.45Å; F210-H220 AromaticContact CZ-CG 3.44Å; F210-H220 VanDerWaalsContact CZ-CG 3.44Å; F210-H220 AromaticContact CZ-ND1 3.28Å; F210-H220 VanDerWaalsContact CZ-ND1 3.28Å; F210-H220 WeakPolarHBondContact CZ-ND1 2.99Å; F210-H220 AromaticContact CZ-NE2 3.63Å; F210-L223 HydrophobicContact CE2-CD1 3.71Å; F210-L223 HydrophobicContact CZ-CD1 4.15Å |
| 211 | Y | 70.5 | Confident | 83.5 | Confident | 93 Ų | 93 | 29.1 Ų | 29.1 | 37% | 0.365 | 13% | 0.133 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -70.1 | -23.9 | 173.6 | -61.2 | -56.8 | 0 | 0 | 0 | 112.9 | W141 A208 A209 W972 C993 | W141-Y211 HydrophobicContact CH2-CD2 4.14Å; W141-Y211 AromaticContact CZ2-CD2 3.68Å; W141-Y211 HydrophobicContact CZ2-CD2 3.68Å; W141-Y211 HydrophobicContact CZ2-CE2 4.24Å; A208-Y211 HydrophobicContact CB-CD2 4.46Å; A208-Y211 WeakPolarHBondContact O-CB 3.49Å; A208-Y211 VanDerWaalsContact O-CD2 3.29Å; A208-Y211 WeakPolarHBondContact O-CD2 3.39Å; A208-Y211 PolarHBondContact O-N 2.95Å; A209-Y211 PolarHBondContact O-N 3.47Å; A209-Y211 VanDerWaalsContact O-N 3.16Å; Y211-W972 HydrophobicContact CD1-CH2 4.13Å; Y211-W972 AromaticContact CD1-CZ3 3.96Å; Y211-W972 HydrophobicContact CD1-CZ3 3.96Å; Y211-W972 AromaticContact CE1-CH2 3.83Å; Y211-W972 HydrophobicContact CE1-CH2 3.83Å; Y211-W972 AromaticContact CE1-CZ3 3.75Å; Y211-W972 HydrophobicContact CE1-CZ3 3.75Å; Y211-C993 WeakPolarHBondContact CD1-SG 3.46Å |
| 212 | F | 75.2 | Confident | 84.1 | Confident | 19 Ų | 19 | 28.6 Ų | 28.6 | 8% | 0.083 | 13% | 0.13 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | -44.3 | -178.8 | -67.5 | -85.5 | 0 | 0 | 0 | 111.6 | L138 W141 I173 M176 H177 L180 A209 F210 | L138-F212 HydrophobicContact CB-CZ 4.48Å; L138-F212 HydrophobicContact CD2-CE1 4.13Å; L138-F212 HydrophobicContact CD2-CZ 4.3Å; W141-F212 HydrophobicContact CZ2-CE2 4.21Å; I173-F212 HydrophobicContact CG2-CB 4.09Å; I173-F212 WeakPolarHBondContact CG2-O 3.44Å; M176-F212 HydrophobicContact CB-CD1 3.69Å; M176-F212 HydrophobicContact CB-CE1 3.82Å; M176-F212 HydrophobicContact CB-CG 4.08Å; M176-F212 HydrophobicContact CB-CZ 4.31Å; M176-F212 HydrophobicContact CE-CD1 4.34Å; M176-F212 HydrophobicContact CE-CE1 3.31Å; M176-F212 HydrophobicContact CE-CZ 3.51Å; M176-F212 HydrophobicContact CG-CD1 4.47Å; M176-F212 HydrophobicContact CG-CE1 4.27Å; M176-F212 HydrophobicContact SD-CD1 4.01Å; M176-F212 HydrophobicContact SD-CE1 3.47Å; M176-F212 WeakPolarHBondContact SD-CE1 3.35Å; M176-F212 HydrophobicContact SD-CZ 4.25Å; H177-F212 HydrophobicContact CB-CB 3.95Å; L180-F212 HydrophobicContact CD1-CD2 3.34Å; L180-F212 HydrophobicContact CD1-CE2 3.31Å; L180-F212 HydrophobicContact CD1-CG 4.43Å; L180-F212 HydrophobicContact CD1-CZ 4.37Å; A209-F212 PolarHBondContact O-N 2.9Å; F210-F212 PolarHBondContact O-N 2.94Å |
| 213 | D | 75.9 | Confident | 84.3 | Confident | 26 Ų | 26 | 28.7 Ų | 28.7 | 14% | 0.139 | 13% | 0.131 | C | C | . | . | trans | -144.9 | 90.4 | 177.5 | -165.2 | -16.1 | 0 | 0 | 0 | 110.9 | H177 A209 L215 M216 | H177-D213 HydrophobicContact CB-CB 4.24Å; A209-D213 PolarHBondContact O-N 3.34Å; D213-L215 PolarHBondContact O-N 3.13Å; D213-L215 WeakPolarHBondContact OD1-CB 3.47Å; D213-L215 PolarHBondContact OD1-N 2.69Å; D213-L215 VanDerWaalsContact OD1-N 3.15Å; D213-M216 HydrophobicContact CB-CG 4Å; D213-M216 WeakPolarHBondContact OD2-CG 3.25Å | ||
| 214 | P | 76.8 | Confident | 84.9 | Confident | 36 Ų | 36 | 27.4 Ų | 27.4 | 23% | 0.234 | 13% | 0.126 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.3 | -10.9 | 178.9 | 28.9 | -33.7 | 0 | 0 | 0 | 113.2 | F210 M216 L975 | F210-P214 WeakPolarHBondContact O-CD 3.48Å; P214-M216 VanDerWaalsContact C-N 3.29Å; P214-L975 HydrophobicContact CB-CD2 3.87Å; P214-L975 HydrophobicContact CB-CG 3.8Å; P214-L975 HydrophobicContact CG-CD2 4.38Å; P214-L975 HydrophobicContact CG-CG 4.36Å |
| 215 | L | 84.3 | Confident | 85.7 | Confident | 61 Ų | 61 | 25.2 Ų | 25.2 | 32% | 0.319 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.2 | -10.6 | -178 | -58.9 | -179.9 | 0 | 0 | 0 | 112.5 | D213 R247 S248 | D213-L215 PolarHBondContact O-N 3.13Å; D213-L215 WeakPolarHBondContact OD1-CB 3.47Å; D213-L215 PolarHBondContact OD1-N 2.69Å; D213-L215 VanDerWaalsContact OD1-N 3.15Å; L215-R247 HydrophobicContact CB-CB 4.22Å; L215-R247 PolarHBondContact O-N 3.39Å; L215-S248 PolarHBondContact O-N 3.42Å; L215-S248 VanDerWaalsContact O-N 3.11Å |
| 216 | M | 87.1 | Confident | 86 | Confident | 54 Ų | 54 | 25.7 Ų | 25.7 | 27% | 0.266 | 12% | 0.124 | S | C | . | . | B | Isolated β-bridge | trans | -87.9 | 124.7 | -179.9 | -68.3 | -66.7 | -61.6 | 0 | 0 | 111.6 | D213 P214 P219 S248 | D213-M216 HydrophobicContact CB-CG 4Å; D213-M216 WeakPolarHBondContact OD2-CG 3.25Å; P214-M216 VanDerWaalsContact C-N 3.29Å; M216-P219 WeakPolarHBondContact O-CD 3.02Å; M216-S248 WeakPolarHBondContact SD-CB 3.43Å; M216-S248 PolarHBondContact SD-OG 2.85Å |
| 217 | G | 91.7 | Very high | 86.1 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.125 | C | C | . | . | S | Bend | trans | -77.4 | -18.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 115 | H220 N221 C243 S246 S248 | G217-H220 WeakPolarHBondContact O-CB 3.15Å; G217-H220 PolarHBondContact O-N 3.3Å; G217-H220 VanDerWaalsContact O-N 3.08Å; G217-N221 PolarHBondContact O-N 3.29Å; G217-N221 VanDerWaalsContact O-N 3.15Å; G217-C243 VanDerWaalsContact C-SG 3.53Å; G217-C243 WeakPolarHBondContact O-CB 3.37Å; G217-C243 PolarHBondContact O-SG 2.82Å; G217-S246 WeakPolarHBondContact CA-OG 3.47Å; G217-S246 PolarHBondContact N-OG 3.32Å; G217-S248 PolarHBondContact N-O 2.95Å |
| 218 | L | 93.9 | Very high | 86.4 | Confident | 31 Ų | 31 | 24.1 Ų | 24.1 | 16% | 0.162 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -57.2 | -46.6 | -171.2 | -179.5 | 63.5 | 0 | 0 | 0 | 113.7 | T181 H220 N221 Q222 F250 | T181-L218 HydrophobicContact CG2-CD2 3.95Å; T181-L218 HydrophobicContact CG2-CG 4.17Å; L218-H220 PolarHBondContact O-N 3.09Å; L218-N221 WeakPolarHBondContact O-CB 3.38Å; L218-N221 PolarHBondContact O-N 3.09Å; L218-Q222 WeakPolarHBondContact O-CG 3.25Å; L218-Q222 PolarHBondContact O-N 3.35Å; L218-F250 HydrophobicContact CB-CB 4.49Å; L218-F250 HydrophobicContact CD1-CB 4.31Å; L218-F250 HydrophobicContact CD1-CD1 3.95Å; L218-F250 HydrophobicContact CD1-CD2 4.08Å; L218-F250 HydrophobicContact CD1-CE1 4.3Å; L218-F250 HydrophobicContact CD1-CE2 4.5Å; L218-F250 HydrophobicContact CD1-CG 3.81Å |
| 219 | P | 92.2 | Very high | 86.5 | Confident | 0 Ų | 0 | 27.3 Ų | 27.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -62.6 | -30.9 | 178.5 | -18.3 | 30.4 | 0 | 0 | 0 | 112.7 | H177 A209 F210 M216 Q222 L223 | H177-P219 WeakPolarHBondContact NE2-CG 3.26Å; A209-P219 HydrophobicContact CB-CB 4.12Å; A209-P219 HydrophobicContact CB-CG 3.71Å; F210-P219 HydrophobicContact CD1-CB 4.44Å; F210-P219 HydrophobicContact CD1-CG 4.48Å; F210-P219 HydrophobicContact CE1-CB 3.74Å; F210-P219 HydrophobicContact CE1-CG 4.03Å; F210-P219 HydrophobicContact CE2-CB 4.28Å; F210-P219 HydrophobicContact CZ-CB 3.64Å; F210-P219 HydrophobicContact CZ-CG 4.43Å; M216-P219 WeakPolarHBondContact O-CD 3.02Å; P219-Q222 PolarHBondContact O-N 2.83Å; P219-L223 WeakPolarHBondContact O-CG 3.45Å; P219-L223 PolarHBondContact O-N 3.27Å |
| 220 | H | 94 | Very high | 86.5 | Confident | 18 Ų | 18 | 28.6 Ų | 28.6 | 8% | 0.083 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -64.8 | -43.9 | 171.7 | -79.6 | -50.8 | 0 | 0 | 0 | 111.4 | F210 G217 L218 Q222 L223 G224 H239 R242 C243 | F210-H220 AromaticContact CE1-CD2 3.62Å; F210-H220 AromaticContact CE1-CE1 3.94Å; F210-H220 AromaticContact CE1-CG 3.89Å; F210-H220 AromaticContact CE1-NE2 3.71Å; F210-H220 AromaticContact CE2-CE1 3.83Å; F210-H220 AromaticContact CE2-ND1 3.9Å; F210-H220 HydrophobicContact CZ-CB 4.24Å; F210-H220 AromaticContact CZ-CD2 3.63Å; F210-H220 AromaticContact CZ-CE1 3.37Å; F210-H220 WeakPolarHBondContact CZ-CE1 3.45Å; F210-H220 AromaticContact CZ-CG 3.44Å; F210-H220 VanDerWaalsContact CZ-CG 3.44Å; F210-H220 AromaticContact CZ-ND1 3.28Å; F210-H220 VanDerWaalsContact CZ-ND1 3.28Å; F210-H220 WeakPolarHBondContact CZ-ND1 2.99Å; F210-H220 AromaticContact CZ-NE2 3.63Å; G217-H220 WeakPolarHBondContact O-CB 3.15Å; G217-H220 PolarHBondContact O-N 3.3Å; G217-H220 VanDerWaalsContact O-N 3.08Å; L218-H220 PolarHBondContact O-N 3.09Å; H220-Q222 VanDerWaalsContact C-N 3.26Å; H220-Q222 PolarHBondContact O-N 3.44Å; H220-L223 PolarHBondContact O-N 2.92Å; H220-G224 PolarHBondContact O-N 3.49Å; H220-H239 WeakPolarHBondContact CB-O 3.47Å; H220-H239 AromaticContact ND1-ND1 3.52Å; H220-H239 WeakPolarHBondContact O-CB 3.12Å; H220-R242 HydrophobicContact CB-CB 4.2Å; H220-C243 HydrophobicContact CB-CB 3.97Å |
| 221 | N | 95.8 | Very high | 87 | Confident | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.016 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.9 | -42.2 | 174.1 | 178.3 | 69.3 | 0 | 0 | 0 | 111.8 | G217 L218 G224 I225 Y240 C243 F250 A253 N256 | G217-N221 PolarHBondContact O-N 3.29Å; G217-N221 VanDerWaalsContact O-N 3.15Å; L218-N221 WeakPolarHBondContact O-CB 3.38Å; L218-N221 PolarHBondContact O-N 3.09Å; N221-G224 PolarHBondContact O-N 3.17Å; N221-I225 WeakPolarHBondContact O-CG1 3.38Å; N221-I225 PolarHBondContact O-N 3.06Å; N221-Y240 WeakPolarHBondContact OD1-CE1 3.3Å; N221-C243 HydrophobicContact CB-CB 4.42Å; N221-F250 HydrophobicContact CB-CD1 3.84Å; N221-F250 WeakPolarHBondContact ND2-CD1 3.17Å; N221-F250 WeakPolarHBondContact ND2-CE1 3.44Å; N221-A253 HydrophobicContact CB-CB 4.31Å; N221-A253 WeakPolarHBondContact OD1-CA 3.49Å; N221-N256 PolarHBondContact OD1-ND2 3.34Å |
| 222 | Q | 96.7 | Very high | 87.8 | Confident | 10 Ų | 10 | 26 Ų | 26 | 5% | 0.047 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -66.8 | -41.1 | 179 | -55.3 | -51.7 | 85.1 | 0 | 0 | 112.8 | T181 D185 Y206 L218 P219 H220 G224 I225 L226 | T181-Q222 HydrophobicContact CG2-CG 4.43Å; D185-Q222 PolarHBondContact OD1-NE2 2.96Å; D185-Q222 PolarHBondContact OD2-NE2 3.49Å; Y206-Q222 HydrophobicContact CD1-CB 3.75Å; Y206-Q222 HydrophobicContact CD1-CG 4.13Å; Y206-Q222 HydrophobicContact CD2-CB 3.9Å; Y206-Q222 HydrophobicContact CE1-CB 3.42Å; Y206-Q222 VanDerWaalsContact CE1-CB 3.42Å; Y206-Q222 HydrophobicContact CE1-CG 3.61Å; Y206-Q222 HydrophobicContact CE2-CB 3.58Å; Y206-Q222 HydrophobicContact CG-CB 3.98Å; L218-Q222 WeakPolarHBondContact O-CG 3.25Å; L218-Q222 PolarHBondContact O-N 3.35Å; P219-Q222 PolarHBondContact O-N 2.83Å; H220-Q222 VanDerWaalsContact C-N 3.26Å; H220-Q222 PolarHBondContact O-N 3.44Å; Q222-G224 VanDerWaalsContact C-N 3.29Å; Q222-G224 PolarHBondContact O-N 3.38Å; Q222-I225 PolarHBondContact O-N 3.05Å; Q222-L226 PolarHBondContact O-N 3.2Å; Q222-L226 VanDerWaalsContact O-N 3.11Å |
| 223 | L | 93.5 | Very high | 88.5 | Confident | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -59.9 | -40 | 171.2 | -72.2 | 170.3 | 0 | 0 | 0 | 111.6 | Y203 Y206 F210 P219 H220 I225 L226 D227 | Y203-L223 HydrophobicContact CD2-CD2 3.3Å; Y203-L223 HydrophobicContact CE2-CD2 3.59Å; Y203-L223 HydrophobicContact CG-CD2 4.01Å; Y206-L223 HydrophobicContact CD2-CD2 4.16Å; Y206-L223 HydrophobicContact CD2-CG 4.39Å; F210-L223 HydrophobicContact CE2-CD1 3.71Å; F210-L223 HydrophobicContact CZ-CD1 4.15Å; P219-L223 WeakPolarHBondContact O-CG 3.45Å; P219-L223 PolarHBondContact O-N 3.27Å; H220-L223 PolarHBondContact O-N 2.92Å; L223-I225 VanDerWaalsContact C-N 3.3Å; L223-I225 PolarHBondContact O-N 3.48Å; L223-L226 PolarHBondContact O-N 3.02Å; L223-D227 WeakPolarHBondContact O-CB 3.34Å; L223-D227 PolarHBondContact O-N 3.38Å; L223-D227 VanDerWaalsContact O-N 3.11Å |
| 224 | G | 95 | Very high | 89.3 | Confident | 0 Ų | 0 | 23.9 Ų | 23.9 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -41.6 | 175 | 0 | 0 | 0 | 0 | 0 | 112.3 | H220 N221 Q222 D227 V228 A236 Y240 | H220-G224 PolarHBondContact O-N 3.49Å; N221-G224 PolarHBondContact O-N 3.17Å; Q222-G224 VanDerWaalsContact C-N 3.29Å; Q222-G224 PolarHBondContact O-N 3.38Å; G224-D227 PolarHBondContact O-N 3.29Å; G224-D227 VanDerWaalsContact O-N 3.15Å; G224-V228 WeakPolarHBondContact O-CG2 3.47Å; G224-V228 PolarHBondContact O-N 3.14Å; G224-A236 WeakPolarHBondContact O-CB 3.2Å; G224-Y240 VanDerWaalsContact C-OH 3.27Å; G224-Y240 PolarHBondContact O-OH 3.35Å |
| 225 | I | 94.3 | Very high | 90 | Very high | 56 Ų | 56 | 23.2 Ų | 23.2 | 29% | 0.287 | 14% | 0.137 | S | C | . | . | H | α-helix | trans | -64.2 | -40.2 | 176 | -63.2 | 166.6 | 0 | 0 | 0 | 111.6 | R188 N221 Q222 L223 D227 Y240 | R188-I225 VanDerWaalsContact NH1-CD1 3.31Å; N221-I225 WeakPolarHBondContact O-CG1 3.38Å; N221-I225 PolarHBondContact O-N 3.06Å; Q222-I225 PolarHBondContact O-N 3.05Å; L223-I225 VanDerWaalsContact C-N 3.3Å; L223-I225 PolarHBondContact O-N 3.48Å; I225-D227 PolarHBondContact O-N 2.95Å; I225-Y240 HydrophobicContact CG1-CE1 4.4Å; I225-Y240 PolarHBondContact N-OH 2.77Å |
| 226 | L | 90.8 | Very high | 90.6 | Very high | 17 Ų | 17 | 20.3 Ų | 20.3 | 9% | 0.089 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.2 | -25.5 | 175.3 | -72 | 179 | 0 | 0 | 0 | 113 | R188 I191 K199 A202 Y206 Q222 L223 | R188-L226 HydrophobicContact CG-CD2 3.99Å; I191-L226 HydrophobicContact CD1-CD2 3.75Å; K199-L226 HydrophobicContact CG-CD2 4.47Å; A202-L226 HydrophobicContact CB-CD1 3.93Å; A202-L226 HydrophobicContact CB-CD2 4.39Å; Y206-L226 HydrophobicContact CD2-CD1 3.77Å; Y206-L226 HydrophobicContact CE2-CD1 3.67Å; Y206-L226 HydrophobicContact CE2-CG 4.23Å; Q222-L226 PolarHBondContact O-N 3.2Å; Q222-L226 VanDerWaalsContact O-N 3.11Å; L223-L226 PolarHBondContact O-N 3.02Å |
| 227 | D | 89.2 | Confident | 91.1 | Very high | 3 Ų | 3 | 17.9 Ų | 17.9 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -105.1 | 2.7 | -172.2 | -81.4 | -15.5 | 0 | 0 | 0 | 115.1 | L223 G224 I225 G229 R230 N235 H239 | L223-D227 WeakPolarHBondContact O-CB 3.34Å; L223-D227 PolarHBondContact O-N 3.38Å; L223-D227 VanDerWaalsContact O-N 3.11Å; G224-D227 PolarHBondContact O-N 3.29Å; G224-D227 VanDerWaalsContact O-N 3.15Å; I225-D227 PolarHBondContact O-N 2.95Å; D227-G229 PolarHBondContact O-N 3.15Å; D227-R230 PolarHBondContact O-N 3.03Å; D227-R230 WeakPolarHBondContact OD1-CD 3.32Å; D227-R230 IonicContact OD1-CZ 3.9Å; D227-R230 IonicContact OD1-NE 3.35Å; D227-R230 IonicContact OD1-NH1 3.89Å; D227-R230 PolarHBondContact OD1-NH1 3.11Å; D227-N235 HydrophobicContact CB-CB 3.76Å; D227-H239 IonicContact OD2-CD2 3.24Å; D227-H239 IonicContact OD2-NE2 3.4Å |
| 228 | V | 83.8 | Confident | 91.3 | Very high | 48 Ų | 48 | 18.1 Ų | 18.1 | 29% | 0.291 | 11% | 0.11 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -51.7 | -29.4 | -177.6 | 173.6 | 0 | 0 | 0 | 0 | 113.8 | G224 A236 Y240 V260 | G224-V228 WeakPolarHBondContact O-CG2 3.47Å; G224-V228 PolarHBondContact O-N 3.14Å; V228-A236 HydrophobicContact CG2-CB 4.27Å; V228-Y240 WeakPolarHBondContact CG2-OH 3.37Å; V228-V260 HydrophobicContact CG1-CG2 4.24Å; V228-V260 HydrophobicContact CG2-CG2 4.38Å |
| 229 | G | 77.9 | Confident | 91.4 | Very high | 69 Ų | 69 | 17 Ų | 17 | 71% | 0.711 | 10% | 0.104 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -93.2 | -11.5 | 179 | 0 | 0 | 0 | 0 | 0 | 115.7 | D227 | D227-G229 PolarHBondContact O-N 3.15Š|
| 230 | R | 83.3 | Confident | 91.7 | Very high | 26 Ų | 26 | 17.2 Ų | 17.2 | 10% | 0.098 | 11% | 0.105 | C | C | . | . | S | Bend | trans | -93.7 | 145 | -171.9 | -68.2 | -171.9 | -179.7 | 155.6 | -20.6 | 112 | K199 D227 Y232 G233 D627 | K199-R230 VanDerWaalsContact CE-CZ 3.45Å; D227-R230 PolarHBondContact O-N 3.03Å; D227-R230 WeakPolarHBondContact OD1-CD 3.32Å; D227-R230 IonicContact OD1-CZ 3.9Å; D227-R230 IonicContact OD1-NE 3.35Å; D227-R230 IonicContact OD1-NH1 3.89Å; D227-R230 PolarHBondContact OD1-NH1 3.11Å; R230-Y232 PolarHBondContact O-N 3.39Å; R230-Y232 VanDerWaalsContact O-N 3.14Å; R230-G233 PolarHBondContact O-N 3.44Å; R230-D627 IonicContact CZ-OD2 3.53Å; R230-D627 VanDerWaalsContact CZ-OD2 3.28Å; R230-D627 IonicContact NE-OD2 2.74Å; R230-D627 PolarHBondContact NE-OD2 3.49Å; R230-D627 IonicContact NH2-OD1 3.77Å; R230-D627 IonicContact NH2-OD2 2.7Å; R230-D627 PolarHBondContact NH2-OD2 3.32Å |
| 231 | C | 85.8 | Confident | 91.9 | Very high | 29 Ų | 29 | 16.3 Ų | 16.3 | 20% | 0.196 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | 45.3 | 46.2 | 179.6 | -58.4 | 0 | 0 | 0 | 0 | 112.6 | G233 L234 | C231-G233 PolarHBondContact O-N 3.05Å; C231-L234 HydrophobicContact CB-CB 4.14Å; C231-L234 WeakPolarHBondContact O-CB 3.45Å; C231-L234 PolarHBondContact O-N 3.06Å |
| 232 | Y | 86.6 | Confident | 91.8 | Very high | 37 Ų | 37 | 16.3 Ų | 16.3 | 15% | 0.145 | 10% | 0.101 | C | C | . | . | G | 310 helix | trans | 61 | 13.1 | -179.5 | -51.9 | -80.7 | 0 | 0 | 0 | 116 | R230 R267 R294 I297 F622 | R230-Y232 PolarHBondContact O-N 3.39Å; R230-Y232 VanDerWaalsContact O-N 3.14Å; Y232-R267 PolarHBondContact O-NH1 2.92Å; Y232-R294 HydrophobicContact CD1-CG 4.11Å; Y232-R294 HydrophobicContact CE1-CB 4.36Å; Y232-R294 VanDerWaalsContact CE1-CD 3.43Å; Y232-R294 HydrophobicContact CE1-CG 3.44Å; Y232-R294 VanDerWaalsContact CE1-CG 3.44Å; Y232-R294 HydrophobicContact CE2-CB 4.05Å; Y232-R294 HydrophobicContact CE2-CG 3.94Å; Y232-R294 VanDerWaalsContact OH-CD 3.26Å; Y232-R294 WeakPolarHBondContact OH-CD 3.47Å; Y232-R294 WeakPolarHBondContact OH-CG 3.24Å; Y232-I297 HydrophobicContact CD2-CB 4.36Å; Y232-I297 HydrophobicContact CD2-CD1 3.95Å; Y232-I297 HydrophobicContact CD2-CG2 4.08Å; Y232-I297 HydrophobicContact CE2-CD1 4.18Å; Y232-I297 HydrophobicContact CG-CG2 4.48Å; Y232-F622 AromaticContact CE1-CE1 3.96Å; Y232-F622 HydrophobicContact CE1-CE1 3.96Å |
| 233 | G | 90.2 | Very high | 91.8 | Very high | 1 Ų | 1 | 15.8 Ų | 15.8 | 1% | 0.01 | 10% | 0.099 | C | C | . | . | G | 310 helix | trans | 99.9 | -3.8 | -175.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | R230 C231 N235 A236 I237 | R230-G233 PolarHBondContact O-N 3.44Å; C231-G233 PolarHBondContact O-N 3.05Å; G233-N235 VanDerWaalsContact C-N 3.31Å; G233-N235 PolarHBondContact O-N 3.11Å; G233-A236 PolarHBondContact O-N 2.98Å; G233-A236 VanDerWaalsContact O-N 3.15Å; G233-I237 WeakPolarHBondContact O-CG1 3.44Å; G233-I237 PolarHBondContact O-N 3.15Å |
| 234 | L | 93.6 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.2 Ų | 16.2 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -55.5 | -45 | 179.7 | -171.7 | 75.7 | 0 | 0 | 0 | 111.9 | C231 A236 I237 F238 I297 F300 I301 I381 R384 M385 I388 | C231-L234 HydrophobicContact CB-CB 4.14Å; C231-L234 WeakPolarHBondContact O-CB 3.45Å; C231-L234 PolarHBondContact O-N 3.06Å; L234-A236 PolarHBondContact O-N 3.13Å; L234-I237 PolarHBondContact O-N 3.25Å; L234-F238 PolarHBondContact O-N 2.98Å; L234-I297 HydrophobicContact CB-CG2 4.34Å; L234-I297 HydrophobicContact CD1-CG2 4.42Å; L234-F300 HydrophobicContact CD1-CD1 3.66Å; L234-F300 HydrophobicContact CD1-CE1 3.6Å; L234-I301 HydrophobicContact CB-CD1 4.39Å; L234-I301 HydrophobicContact CD1-CG1 4.19Å; L234-I381 HydrophobicContact CD2-CG2 3.75Å; L234-R384 HydrophobicContact CD2-CB 4.09Å; L234-R384 HydrophobicContact CD2-CG 4.05Å; L234-R384 HydrophobicContact CG-CG 4.11Å; L234-M385 HydrophobicContact CD1-CG 4.34Å; L234-M385 HydrophobicContact CD2-CG 4.25Å; L234-I388 HydrophobicContact CD1-CD1 3.4Å; L234-I388 HydrophobicContact CG-CD1 3.7Å; L234-I388 WeakPolarHBondContact O-CD1 3.32Å |
| 235 | N | 91.4 | Very high | 91.9 | Very high | 23 Ų | 23 | 16.3 Ų | 16.3 | 12% | 0.123 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.2 | -39.4 | 179.2 | -75.1 | -14 | 0 | 0 | 0 | 112.4 | D227 G233 F238 H239 R384 | D227-N235 HydrophobicContact CB-CB 3.76Å; G233-N235 VanDerWaalsContact C-N 3.31Å; G233-N235 PolarHBondContact O-N 3.11Å; N235-F238 PolarHBondContact O-N 3.32Å; N235-H239 PolarHBondContact O-CD2 2.92Å; N235-H239 PolarHBondContact O-N 2.92Å; N235-H239 VanDerWaalsContact O-N 3.13Å; N235-R384 PolarHBondContact OD1-NE 3.13Å; N235-R384 PolarHBondContact OD1-NH2 3.23Å |
| 236 | A | 95.4 | Very high | 91.7 | Very high | 0 Ų | 0 | 13.9 Ų | 13.9 | 0% | 0 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -65 | -44.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | G224 V228 G233 L234 F238 H239 Y240 V260 | G224-A236 WeakPolarHBondContact O-CB 3.2Å; V228-A236 HydrophobicContact CG2-CB 4.27Å; G233-A236 PolarHBondContact O-N 2.98Å; G233-A236 VanDerWaalsContact O-N 3.15Å; L234-A236 PolarHBondContact O-N 3.13Å; A236-F238 PolarHBondContact O-N 2.88Å; A236-H239 PolarHBondContact O-N 3.23Å; A236-H239 VanDerWaalsContact O-N 3.13Å; A236-Y240 HydrophobicContact CB-CD2 4.35Å; A236-Y240 HydrophobicContact CB-CE2 3.81Å; A236-Y240 WeakPolarHBondContact O-CD2 3.27Å; A236-Y240 VanDerWaalsContact O-CG 3.3Å; A236-Y240 PolarHBondContact O-N 3.2Å; A236-V260 HydrophobicContact CB-CG2 4.43Å |
| 237 | I | 97.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 21.7 Ų | 21.7 | 1% | 0.01 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -59.5 | -46.4 | 176.9 | -69.1 | 161.5 | 0 | 0 | 0 | 111.1 | G233 L234 H239 Y240 L241 L257 V260 L261 I301 I388 | G233-I237 WeakPolarHBondContact O-CG1 3.44Å; G233-I237 PolarHBondContact O-N 3.15Å; L234-I237 PolarHBondContact O-N 3.25Å; I237-H239 VanDerWaalsContact C-N 3.28Å; I237-H239 PolarHBondContact O-N 3.35Å; I237-Y240 PolarHBondContact O-N 3.34Å; I237-L241 HydrophobicContact CG2-CD1 3.77Å; I237-L241 HydrophobicContact CG2-CG 4.32Å; I237-L241 WeakPolarHBondContact O-CB 3.31Å; I237-L241 WeakPolarHBondContact O-CG 3.49Å; I237-L241 PolarHBondContact O-N 3.12Å; I237-L257 HydrophobicContact CB-CD1 4.31Å; I237-L257 HydrophobicContact CG1-CD1 3.98Å; I237-L257 HydrophobicContact CG2-CD1 4.04Å; I237-V260 HydrophobicContact CD1-CG1 4.05Å; I237-V260 HydrophobicContact CG1-CG1 3.87Å; I237-L261 HydrophobicContact CD1-CD2 3.88Å; I237-L261 HydrophobicContact CG1-CD2 4.29Å; I237-I301 HydrophobicContact CD1-CB 4.14Å; I237-I301 HydrophobicContact CD1-CD1 3.96Å; I237-I301 HydrophobicContact CD1-CG1 3.74Å; I237-I301 HydrophobicContact CD1-CG2 3.37Å; I237-I388 HydrophobicContact CG2-CD1 4.43Å; I237-I388 HydrophobicContact CG2-CG2 4.17Å |
| 238 | F | 96.9 | Very high | 91.6 | Very high | 5 Ų | 5 | 24 Ų | 24 | 2% | 0.022 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -51.9 | -51 | 173.6 | 165.9 | -90 | 0 | 0 | 0 | 110.9 | L234 N235 A236 L241 R242 R384 L387 I388 L391 | L234-F238 PolarHBondContact O-N 2.98Å; N235-F238 PolarHBondContact O-N 3.32Å; A236-F238 PolarHBondContact O-N 2.88Å; F238-L241 PolarHBondContact O-N 2.78Å; F238-R242 HydrophobicContact CD1-CG 4.03Å; F238-R242 HydrophobicContact CD2-CG 4.2Å; F238-R242 HydrophobicContact CE1-CG 3.53Å; F238-R242 HydrophobicContact CE2-CG 3.71Å; F238-R242 HydrophobicContact CG-CG 4.37Å; F238-R242 HydrophobicContact CZ-CG 3.37Å; F238-R242 WeakPolarHBondContact O-CB 3.46Å; F238-R242 WeakPolarHBondContact O-CG 3.37Å; F238-R242 PolarHBondContact O-N 3.01Å; F238-R384 HydrophobicContact CB-CG 4.35Å; F238-R384 VanDerWaalsContact CG-NH1 3.28Å; F238-L387 HydrophobicContact CD2-CB 3.86Å; F238-L387 HydrophobicContact CD2-CD1 4.37Å; F238-L387 HydrophobicContact CE2-CB 3.79Å; F238-L387 HydrophobicContact CE2-CD1 3.83Å; F238-L387 HydrophobicContact CE2-CD2 4.28Å; F238-L387 HydrophobicContact CE2-CG 4.21Å; F238-I388 HydrophobicContact CB-CD1 4.03Å; F238-I388 HydrophobicContact CB-CG1 3.76Å; F238-I388 HydrophobicContact CD2-CG1 4.4Å; F238-L391 HydrophobicContact CD2-CD1 3.68Å; F238-L391 HydrophobicContact CE2-CD1 3.75Å |
| 239 | H | 95.7 | Very high | 91.9 | Very high | 8 Ų | 8 | 24.7 Ų | 24.7 | 4% | 0.037 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.2 | -38.3 | -176.3 | -80.4 | -50 | 0 | 0 | 0 | 112.7 | H220 D227 N235 A236 I237 R242 C243 R384 | H220-H239 WeakPolarHBondContact CB-O 3.47Å; H220-H239 AromaticContact ND1-ND1 3.52Å; H220-H239 WeakPolarHBondContact O-CB 3.12Å; D227-H239 IonicContact OD2-CD2 3.24Å; D227-H239 IonicContact OD2-NE2 3.4Å; N235-H239 PolarHBondContact O-CD2 2.92Å; N235-H239 PolarHBondContact O-N 2.92Å; N235-H239 VanDerWaalsContact O-N 3.13Å; A236-H239 PolarHBondContact O-N 3.23Å; A236-H239 VanDerWaalsContact O-N 3.13Å; I237-H239 VanDerWaalsContact C-N 3.28Å; I237-H239 PolarHBondContact O-N 3.35Å; H239-R242 PolarHBondContact O-N 3.06Å; H239-C243 WeakPolarHBondContact O-CB 3.48Å; H239-C243 PolarHBondContact O-N 3.19Å; H239-R384 PolarHBondContact NE2-NH2 3.06Å; H239-R384 VanDerWaalsContact NE2-NH2 3.16Å |
| 240 | Y | 98 | Very high | 92.7 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.016 | 11% | 0.112 | C | C | . | . | H | α-helix | trans | -68.3 | -41.6 | 175.1 | -60.4 | -42.9 | 0 | 0 | 0 | 112.3 | N221 G224 I225 V228 A236 I237 C243 L244 A253 N256 L257 V260 | N221-Y240 WeakPolarHBondContact OD1-CE1 3.3Å; G224-Y240 VanDerWaalsContact C-OH 3.27Å; G224-Y240 PolarHBondContact O-OH 3.35Å; I225-Y240 HydrophobicContact CG1-CE1 4.4Å; I225-Y240 PolarHBondContact N-OH 2.77Å; V228-Y240 WeakPolarHBondContact CG2-OH 3.37Å; A236-Y240 HydrophobicContact CB-CD2 4.35Å; A236-Y240 HydrophobicContact CB-CE2 3.81Å; A236-Y240 WeakPolarHBondContact O-CD2 3.27Å; A236-Y240 VanDerWaalsContact O-CG 3.3Å; A236-Y240 PolarHBondContact O-N 3.2Å; I237-Y240 PolarHBondContact O-N 3.34Å; Y240-C243 WeakPolarHBondContact O-CB 3.36Å; Y240-C243 PolarHBondContact O-N 3.43Å; Y240-L244 VanDerWaalsContact O-CG 3.27Å; Y240-L244 WeakPolarHBondContact O-CG 3.34Å; Y240-L244 PolarHBondContact O-N 3.09Å; Y240-A253 HydrophobicContact CD1-CB 4.3Å; Y240-N256 HydrophobicContact CD1-CB 4Å; Y240-N256 HydrophobicContact CD2-CB 4.27Å; Y240-N256 HydrophobicContact CE1-CB 3.55Å; Y240-N256 HydrophobicContact CE2-CB 3.83Å; Y240-N256 HydrophobicContact CG-CB 4.36Å; Y240-N256 VanDerWaalsContact CZ-CB 3.46Å; Y240-L257 HydrophobicContact CD2-CB 4.24Å; Y240-L257 HydrophobicContact CG-CB 4.38Å; Y240-V260 HydrophobicContact CE2-CG2 3.87Å |
| 241 | L | 97.6 | Very high | 93 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -64.5 | -43.3 | 174 | -71.4 | 171 | 0 | 0 | 0 | 111.3 | I237 F238 C243 L244 T245 L257 I388 L391 T392 Y395 | I237-L241 HydrophobicContact CG2-CD1 3.77Å; I237-L241 HydrophobicContact CG2-CG 4.32Å; I237-L241 WeakPolarHBondContact O-CB 3.31Å; I237-L241 WeakPolarHBondContact O-CG 3.49Å; I237-L241 PolarHBondContact O-N 3.12Å; F238-L241 PolarHBondContact O-N 2.78Å; L241-C243 VanDerWaalsContact C-N 3.28Å; L241-C243 PolarHBondContact O-N 2.84Å; L241-L244 PolarHBondContact O-N 3.29Å; L241-L244 VanDerWaalsContact O-N 3.1Å; L241-T245 WeakPolarHBondContact O-CG2 3.36Å; L241-T245 PolarHBondContact O-N 3.4Å; L241-T245 PolarHBondContact O-OG1 3.35Å; L241-L257 HydrophobicContact CD2-CD2 3.9Å; L241-L257 HydrophobicContact CG-CD2 4.38Å; L241-I388 HydrophobicContact CD1-CG2 3.91Å; L241-L391 HydrophobicContact CB-CB 3.88Å; L241-L391 HydrophobicContact CB-CD1 4.31Å; L241-L391 HydrophobicContact CD1-CB 4.42Å; L241-T392 WeakPolarHBondContact CD1-OG1 3.46Å; L241-Y395 HydrophobicContact CD2-CD1 4.3Å |
| 242 | R | 95.2 | Very high | 93.2 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.008 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -53.9 | -46 | 172.7 | -79.5 | -55.1 | -59.9 | 150.5 | -11.8 | 111.9 | H220 F238 H239 T245 S246 L391 L974 L975 L977 | H220-R242 HydrophobicContact CB-CB 4.2Å; F238-R242 HydrophobicContact CD1-CG 4.03Å; F238-R242 HydrophobicContact CD2-CG 4.2Å; F238-R242 HydrophobicContact CE1-CG 3.53Å; F238-R242 HydrophobicContact CE2-CG 3.71Å; F238-R242 HydrophobicContact CG-CG 4.37Å; F238-R242 HydrophobicContact CZ-CG 3.37Å; F238-R242 WeakPolarHBondContact O-CB 3.46Å; F238-R242 WeakPolarHBondContact O-CG 3.37Å; F238-R242 PolarHBondContact O-N 3.01Å; H239-R242 PolarHBondContact O-N 3.06Å; R242-T245 PolarHBondContact O-N 2.95Å; R242-T245 PolarHBondContact O-OG1 2.7Å; R242-T245 VanDerWaalsContact O-OG1 3.13Å; R242-S246 PolarHBondContact O-N 2.92Å; R242-S246 VanDerWaalsContact O-N 3.15Å; R242-L391 VanDerWaalsContact CD-CD2 3.49Å; R242-L391 HydrophobicContact CG-CD1 3.62Å; R242-L391 HydrophobicContact CG-CD2 4.49Å; R242-L391 VanDerWaalsContact NH1-CD2 3.27Å; R242-L974 VanDerWaalsContact NH2-C 3.31Å; R242-L974 PolarHBondContact NH2-O 2.91Å; R242-L975 PolarHBondContact NH2-O 3.38Å; R242-L977 VanDerWaalsContact NH1-CD1 3.33Å |
| 243 | C | 96 | Very high | 93.7 | Very high | 0 Ų | 0 | 26.2 Ų | 26.2 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -58.7 | -48.9 | 175.8 | 179.8 | 0 | 0 | 0 | 0 | 111.6 | G217 H220 N221 H239 Y240 L241 T245 S246 P249 F250 A253 | G217-C243 VanDerWaalsContact C-SG 3.53Å; G217-C243 WeakPolarHBondContact O-CB 3.37Å; G217-C243 PolarHBondContact O-SG 2.82Å; H220-C243 HydrophobicContact CB-CB 3.97Å; N221-C243 HydrophobicContact CB-CB 4.42Å; H239-C243 WeakPolarHBondContact O-CB 3.48Å; H239-C243 PolarHBondContact O-N 3.19Å; Y240-C243 WeakPolarHBondContact O-CB 3.36Å; Y240-C243 PolarHBondContact O-N 3.43Å; L241-C243 VanDerWaalsContact C-N 3.28Å; L241-C243 PolarHBondContact O-N 2.84Å; C243-T245 VanDerWaalsContact C-N 3.34Å; C243-T245 PolarHBondContact O-N 2.69Å; C243-S246 WeakPolarHBondContact O-CB 3.26Å; C243-S246 PolarHBondContact O-N 3.17Å; C243-S246 PolarHBondContact O-OG 3.41Å; C243-P249 WeakPolarHBondContact O-CA 3.49Å; C243-P249 WeakPolarHBondContact O-CB 3.25Å; C243-F250 VanDerWaalsContact SG-CB 3.57Å; C243-F250 PolarHBondContact SG-N 3.43Å; C243-F250 VanDerWaalsContact SG-N 3.44Å; C243-A253 HydrophobicContact CB-CB 3.92Å; C243-A253 VanDerWaalsContact SG-CB 3.54Å |
| 244 | L | 96 | Very high | 93.9 | Very high | 11 Ų | 11 | 31.5 Ų | 31.5 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.9 | -29.6 | -177.3 | -67.8 | 169.7 | 0 | 0 | 0 | 113.7 | Y240 L241 A253 K254 L257 Y395 | Y240-L244 VanDerWaalsContact O-CG 3.27Å; Y240-L244 WeakPolarHBondContact O-CG 3.34Å; Y240-L244 PolarHBondContact O-N 3.09Å; L241-L244 PolarHBondContact O-N 3.29Å; L241-L244 VanDerWaalsContact O-N 3.1Å; L244-A253 HydrophobicContact CD2-CB 4.13Å; L244-A253 HydrophobicContact CG-CB 4.16Å; L244-K254 HydrophobicContact CD2-CB 4.2Å; L244-L257 HydrophobicContact CD1-CD2 3.9Å; L244-Y395 HydrophobicContact CB-CD2 3.81Å; L244-Y395 HydrophobicContact CB-CE2 3.74Å; L244-Y395 HydrophobicContact CD1-CE1 4.37Å; L244-Y395 HydrophobicContact CD1-CE2 4.17Å; L244-Y395 HydrophobicContact CD2-CE2 4.48Å; L244-Y395 HydrophobicContact CG-CE2 4.35Å |
| 245 | T | 93.7 | Very high | 94.1 | Very high | 2 Ų | 2 | 33.4 Ų | 33.4 | 1% | 0.012 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88 | -1.5 | 176.2 | 59.1 | 0 | 0 | 0 | 0 | 113.9 | L241 R242 C243 L391 E394 P978 | L241-T245 WeakPolarHBondContact O-CG2 3.36Å; L241-T245 PolarHBondContact O-N 3.4Å; L241-T245 PolarHBondContact O-OG1 3.35Å; R242-T245 PolarHBondContact O-N 2.95Å; R242-T245 PolarHBondContact O-OG1 2.7Å; R242-T245 VanDerWaalsContact O-OG1 3.13Å; C243-T245 VanDerWaalsContact C-N 3.34Å; C243-T245 PolarHBondContact O-N 2.69Å; T245-L391 HydrophobicContact CG2-CD2 4.33Å; T245-E394 HydrophobicContact CG2-CB 3.9Å; T245-P978 VanDerWaalsContact O-CD 3.3Å; T245-P978 WeakPolarHBondContact O-CD 3.28Å |
| 246 | S | 91.2 | Very high | 94.2 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.028 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -73 | 158.7 | 176.8 | 71.4 | 0 | 0 | 0 | 0 | 110.5 | G217 R242 C243 S248 P249 | G217-S246 WeakPolarHBondContact CA-OG 3.47Å; G217-S246 PolarHBondContact N-OG 3.32Å; R242-S246 PolarHBondContact O-N 2.92Å; R242-S246 VanDerWaalsContact O-N 3.15Å; C243-S246 WeakPolarHBondContact O-CB 3.26Å; C243-S246 PolarHBondContact O-N 3.17Å; C243-S246 PolarHBondContact O-OG 3.41Å; S246-S248 PolarHBondContact O-N 3Å; S246-S248 PolarHBondContact OG-O 3.26Å; S246-P249 WeakPolarHBondContact O-CD 3.18Å; S246-P249 WeakPolarHBondContact OG-CA 3.32Å |
| 247 | R | 87.5 | Confident | 94.3 | Very high | 182 Ų | 182 | 35 Ų | 35 | 69% | 0.687 | 19% | 0.186 | S | C | * | . | S | Bend | trans | -63.3 | -31.1 | 179.3 | -173 | 177.2 | -178.1 | 133.4 | 1.4 | 112.6 | L215 P249 | L215-R247 HydrophobicContact CB-CB 4.22Å; L215-R247 PolarHBondContact O-N 3.39Å; R247-P249 WeakPolarHBondContact O-CD 3.5Å |
| 248 | S | 89.5 | Confident | 94.3 | Very high | 51 Ų | 51 | 39.6 Ų | 39.6 | 36% | 0.357 | 21% | 0.21 | S | C | . | . | B | Isolated β-bridge | trans | -120.6 | 79.4 | 175.1 | -172.9 | 0 | 0 | 0 | 0 | 108.8 | L215 M216 G217 S246 | L215-S248 PolarHBondContact O-N 3.42Å; L215-S248 VanDerWaalsContact O-N 3.11Å; M216-S248 WeakPolarHBondContact SD-CB 3.43Å; M216-S248 PolarHBondContact SD-OG 2.85Å; G217-S248 PolarHBondContact N-O 2.95Å; S246-S248 PolarHBondContact O-N 3Å; S246-S248 PolarHBondContact OG-O 3.26Å |
| 249 | P | 91.8 | Very high | 94.2 | Very high | 63 Ų | 63 | 42.8 Ų | 42.8 | 41% | 0.409 | 23% | 0.229 | S | C | . | . | trans | -68.5 | 150.6 | -176.1 | 29.9 | -34.6 | 0 | 0 | 0 | 110.9 | C243 S246 R247 | C243-P249 WeakPolarHBondContact O-CA 3.49Å; C243-P249 WeakPolarHBondContact O-CB 3.25Å; S246-P249 WeakPolarHBondContact O-CD 3.18Å; S246-P249 WeakPolarHBondContact OG-CA 3.32Å; R247-P249 WeakPolarHBondContact O-CD 3.5Å | ||
| 250 | F | 93.3 | Very high | 94.2 | Very high | 33 Ų | 33 | 42.9 Ų | 42.9 | 15% | 0.145 | 23% | 0.23 | C | C | . | . | trans | -99.5 | 114.1 | 171.3 | 176 | -113.4 | 0 | 0 | 0 | 110 | L218 N221 C243 G252 A253 E702 | L218-F250 HydrophobicContact CB-CB 4.49Å; L218-F250 HydrophobicContact CD1-CB 4.31Å; L218-F250 HydrophobicContact CD1-CD1 3.95Å; L218-F250 HydrophobicContact CD1-CD2 4.08Å; L218-F250 HydrophobicContact CD1-CE1 4.3Å; L218-F250 HydrophobicContact CD1-CE2 4.5Å; L218-F250 HydrophobicContact CD1-CG 3.81Å; N221-F250 HydrophobicContact CB-CD1 3.84Å; N221-F250 WeakPolarHBondContact ND2-CD1 3.17Å; N221-F250 WeakPolarHBondContact ND2-CE1 3.44Å; C243-F250 VanDerWaalsContact SG-CB 3.57Å; C243-F250 PolarHBondContact SG-N 3.43Å; C243-F250 VanDerWaalsContact SG-N 3.44Å; F250-G252 VanDerWaalsContact CE1-CA 3.5Å; F250-G252 PolarHBondContact O-N 3.01Å; F250-G252 VanDerWaalsContact O-N 3.16Å; F250-A253 WeakPolarHBondContact O-CB 3.17Å; F250-A253 PolarHBondContact O-N 3Å; F250-E702 HydrophobicContact CD2-CG 4.4Å; F250-E702 HydrophobicContact CE2-CB 3.88Å; F250-E702 HydrophobicContact CE2-CG 3.32Å; F250-E702 WeakPolarHBondContact CE2-OE1 3.44Å; F250-E702 HydrophobicContact CZ-CG 3.73Å; F250-E702 WeakPolarHBondContact CZ-OE1 3.36Å | ||
| 251 | E | 89.8 | Confident | 94.2 | Very high | 128 Ų | 128 | 43.2 Ų | 43.2 | 60% | 0.598 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | -35 | -171.8 | -174.9 | 154 | -147 | 0 | 0 | 113.8 | A253 K254 | E251-A253 PolarHBondContact O-N 2.93Å; E251-A253 VanDerWaalsContact O-N 3.08Å; E251-K254 WeakPolarHBondContact O-CB 3.41Å; E251-K254 PolarHBondContact O-N 3.13Å; E251-K254 VanDerWaalsContact O-N 3.11Å |
| 252 | G | 91.3 | Very high | 94.1 | Very high | 31 Ų | 31 | 45.3 Ų | 45.3 | 32% | 0.32 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -61.3 | -19.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | F250 K254 G255 N256 | F250-G252 VanDerWaalsContact CE1-CA 3.5Å; F250-G252 PolarHBondContact O-N 3.01Å; F250-G252 VanDerWaalsContact O-N 3.16Å; G252-K254 PolarHBondContact O-N 3.01Å; G252-G255 PolarHBondContact O-N 2.91Å; G252-N256 PolarHBondContact O-N 3.49Å; G252-N256 PolarHBondContact O-ND2 2.86Å |
| 253 | A | 95.5 | Very high | 94 | Very high | 0 Ų | 0 | 50.2 Ų | 50.2 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -30.3 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.7 | N221 Y240 C243 L244 F250 E251 N256 L257 | N221-A253 HydrophobicContact CB-CB 4.31Å; N221-A253 WeakPolarHBondContact OD1-CA 3.49Å; Y240-A253 HydrophobicContact CD1-CB 4.3Å; C243-A253 HydrophobicContact CB-CB 3.92Å; C243-A253 VanDerWaalsContact SG-CB 3.54Å; L244-A253 HydrophobicContact CD2-CB 4.13Å; L244-A253 HydrophobicContact CG-CB 4.16Å; F250-A253 WeakPolarHBondContact O-CB 3.17Å; F250-A253 PolarHBondContact O-N 3Å; E251-A253 PolarHBondContact O-N 2.93Å; E251-A253 VanDerWaalsContact O-N 3.08Å; A253-N256 PolarHBondContact O-N 3.2Å; A253-L257 WeakPolarHBondContact O-CB 3.39Å; A253-L257 PolarHBondContact O-N 2.93Å |
| 254 | K | 95.8 | Very high | 93.9 | Very high | 113 Ų | 113 | 50.2 Ų | 50.2 | 49% | 0.491 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -63.7 | -47.2 | 177.9 | -172.5 | 176.9 | -180 | 179.7 | 0 | 111.4 | L244 E251 G252 N256 L257 I258 | L244-K254 HydrophobicContact CD2-CB 4.2Å; E251-K254 WeakPolarHBondContact O-CB 3.41Å; E251-K254 PolarHBondContact O-N 3.13Å; E251-K254 VanDerWaalsContact O-N 3.11Å; G252-K254 PolarHBondContact O-N 3.01Å; K254-N256 VanDerWaalsContact C-N 3.33Å; K254-N256 PolarHBondContact O-N 3.38Å; K254-L257 PolarHBondContact O-N 3.35Å; K254-I258 HydrophobicContact CG-CD1 4.25Å; K254-I258 WeakPolarHBondContact O-CG1 3.5Å; K254-I258 PolarHBondContact O-N 3.28Å |
| 255 | G | 95.9 | Very high | 93.8 | Very high | 39 Ų | 39 | 53 Ų | 53 | 40% | 0.402 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -63.6 | -38.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | G252 T259 | G252-G255 PolarHBondContact O-N 2.91Å; G255-T259 PolarHBondContact O-N 3.13Å; G255-T259 PolarHBondContact O-OG1 2.74Å |
| 256 | N | 95.6 | Very high | 93.7 | Very high | 50 Ų | 50 | 58.7 Ų | 58.7 | 27% | 0.267 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -65.8 | -43.4 | 175.7 | -69 | -28 | 0 | 0 | 0 | 112.2 | N221 Y240 G252 A253 K254 T259 V260 | N221-N256 PolarHBondContact OD1-ND2 3.34Å; Y240-N256 HydrophobicContact CD1-CB 4Å; Y240-N256 HydrophobicContact CD2-CB 4.27Å; Y240-N256 HydrophobicContact CE1-CB 3.55Å; Y240-N256 HydrophobicContact CE2-CB 3.83Å; Y240-N256 HydrophobicContact CG-CB 4.36Å; Y240-N256 VanDerWaalsContact CZ-CB 3.46Å; G252-N256 PolarHBondContact O-N 3.49Å; G252-N256 PolarHBondContact O-ND2 2.86Å; A253-N256 PolarHBondContact O-N 3.2Å; K254-N256 VanDerWaalsContact C-N 3.33Å; K254-N256 PolarHBondContact O-N 3.38Å; N256-T259 WeakPolarHBondContact O-CB 3.38Å; N256-T259 PolarHBondContact O-N 3.02Å; N256-V260 PolarHBondContact O-N 2.96Å |
| 257 | L | 97.4 | Very high | 93.6 | Very high | 6 Ų | 6 | 63.5 Ų | 63.5 | 3% | 0.031 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -59.3 | -50.8 | 175.9 | 178.1 | 58.5 | 0 | 0 | 0 | 111.1 | I237 Y240 L241 L244 A253 K254 T259 V260 L261 L308 | I237-L257 HydrophobicContact CB-CD1 4.31Å; I237-L257 HydrophobicContact CG1-CD1 3.98Å; I237-L257 HydrophobicContact CG2-CD1 4.04Å; Y240-L257 HydrophobicContact CD2-CB 4.24Å; Y240-L257 HydrophobicContact CG-CB 4.38Å; L241-L257 HydrophobicContact CD2-CD2 3.9Å; L241-L257 HydrophobicContact CG-CD2 4.38Å; L244-L257 HydrophobicContact CD1-CD2 3.9Å; A253-L257 WeakPolarHBondContact O-CB 3.39Å; A253-L257 PolarHBondContact O-N 2.93Å; K254-L257 PolarHBondContact O-N 3.35Å; L257-T259 PolarHBondContact O-N 3.46Å; L257-V260 PolarHBondContact O-N 3.4Å; L257-V260 VanDerWaalsContact O-N 3.09Å; L257-L261 HydrophobicContact CD1-CD1 3.94Å; L257-L261 HydrophobicContact CD1-CD2 4.38Å; L257-L261 HydrophobicContact CD1-CG 3.99Å; L257-L261 HydrophobicContact CG-CD1 3.88Å; L257-L261 HydrophobicContact CG-CG 4.34Å; L257-L261 VanDerWaalsContact O-CG 3.32Å; L257-L261 WeakPolarHBondContact O-CG 3.44Å; L257-L261 PolarHBondContact O-N 2.94Å; L257-L308 HydrophobicContact CD2-CD1 4.04Å |
| 258 | I | 96.6 | Very high | 93.6 | Very high | 100 Ų | 100 | 55.5 Ų | 55.5 | 51% | 0.513 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -55 | -42.7 | 177 | -68.8 | 166.1 | 0 | 0 | 0 | 110.8 | K254 V260 L261 A262 | K254-I258 HydrophobicContact CG-CD1 4.25Å; K254-I258 WeakPolarHBondContact O-CG1 3.5Å; K254-I258 PolarHBondContact O-N 3.28Å; I258-V260 PolarHBondContact O-N 3.15Å; I258-L261 PolarHBondContact O-N 3.45Å; I258-A262 VanDerWaalsContact O-CB 3.3Å; I258-A262 WeakPolarHBondContact O-CB 3.44Å; I258-A262 PolarHBondContact O-N 2.75Å |
| 259 | T | 95.8 | Very high | 93.5 | Very high | 71 Ų | 71 | 55.2 Ų | 55.2 | 44% | 0.436 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -62.2 | -42.1 | 178.9 | -60 | 0 | 0 | 0 | 0 | 112.4 | G255 N256 L257 K263 | G255-T259 PolarHBondContact O-N 3.13Å; G255-T259 PolarHBondContact O-OG1 2.74Å; N256-T259 WeakPolarHBondContact O-CB 3.38Å; N256-T259 PolarHBondContact O-N 3.02Å; L257-T259 PolarHBondContact O-N 3.46Å; T259-K263 WeakPolarHBondContact O-CG 3.48Å; T259-K263 PolarHBondContact O-N 3.02Å |
| 260 | V | 95.2 | Very high | 93.2 | Very high | 10 Ų | 10 | 56.2 Ų | 56.2 | 6% | 0.061 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -69.7 | -41.4 | 177.9 | 176 | 0 | 0 | 0 | 0 | 111.2 | V228 A236 I237 Y240 N256 L257 I258 K263 N264 | V228-V260 HydrophobicContact CG1-CG2 4.24Å; V228-V260 HydrophobicContact CG2-CG2 4.38Å; A236-V260 HydrophobicContact CB-CG2 4.43Å; I237-V260 HydrophobicContact CD1-CG1 4.05Å; I237-V260 HydrophobicContact CG1-CG1 3.87Å; Y240-V260 HydrophobicContact CE2-CG2 3.87Å; N256-V260 PolarHBondContact O-N 2.96Å; L257-V260 PolarHBondContact O-N 3.4Å; L257-V260 VanDerWaalsContact O-N 3.09Å; I258-V260 PolarHBondContact O-N 3.15Å; V260-K263 PolarHBondContact O-N 3.1Å; V260-N264 PolarHBondContact O-N 3.12Å |
| 261 | L | 96.8 | Very high | 92.4 | Very high | 11 Ų | 11 | 55.9 Ų | 55.9 | 6% | 0.058 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -64.6 | -46.1 | 177.9 | -64.4 | 176.6 | 0 | 0 | 0 | 111.7 | I237 L257 I258 K263 N264 E265 I301 Q305 L308 | I237-L261 HydrophobicContact CD1-CD2 3.88Å; I237-L261 HydrophobicContact CG1-CD2 4.29Å; L257-L261 HydrophobicContact CD1-CD1 3.94Å; L257-L261 HydrophobicContact CD1-CD2 4.38Å; L257-L261 HydrophobicContact CD1-CG 3.99Å; L257-L261 HydrophobicContact CG-CD1 3.88Å; L257-L261 HydrophobicContact CG-CG 4.34Å; L257-L261 VanDerWaalsContact O-CG 3.32Å; L257-L261 WeakPolarHBondContact O-CG 3.44Å; L257-L261 PolarHBondContact O-N 2.94Å; I258-L261 PolarHBondContact O-N 3.45Å; L261-K263 VanDerWaalsContact C-N 3.3Å; L261-K263 PolarHBondContact O-N 3.46Å; L261-N264 CarbonylContact O-C 3.58Å; L261-N264 WeakPolarHBondContact O-CA 3.32Å; L261-N264 WeakPolarHBondContact O-CB 3.29Å; L261-N264 PolarHBondContact O-N 2.77Å; L261-E265 PolarHBondContact O-N 2.85Å; L261-I301 HydrophobicContact CD2-CG2 3.81Å; L261-Q305 HydrophobicContact CB-CB 4.45Å; L261-Q305 HydrophobicContact CB-CG 4.07Å; L261-Q305 HydrophobicContact CD1-CB 4.35Å; L261-Q305 HydrophobicContact CD1-CG 4.25Å; L261-Q305 HydrophobicContact CD2-CB 4.16Å; L261-Q305 PolarHBondContact O-OE1 3.48Å; L261-L308 HydrophobicContact CD1-CD1 3.76Å |
| 262 | A | 95.5 | Very high | 91.6 | Very high | 44 Ų | 44 | 54.3 Ų | 54.3 | 36% | 0.364 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -60.4 | -38.5 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I258 N264 E265 L266 | I258-A262 VanDerWaalsContact O-CB 3.3Å; I258-A262 WeakPolarHBondContact O-CB 3.44Å; I258-A262 PolarHBondContact O-N 2.75Å; A262-N264 VanDerWaalsContact C-N 3.35Å; A262-E265 PolarHBondContact O-N 3.36Å; A262-L266 PolarHBondContact O-N 3.36Å |
| 263 | K | 93.8 | Very high | 90.5 | Very high | 105 Ų | 105 | 63.1 Ų | 63.1 | 46% | 0.457 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -64.7 | -39.2 | 172.5 | -75.5 | 174.7 | -178.4 | 176.2 | 0 | 112 | T259 V260 L261 R267 | T259-K263 WeakPolarHBondContact O-CG 3.48Å; T259-K263 PolarHBondContact O-N 3.02Å; V260-K263 PolarHBondContact O-N 3.1Å; L261-K263 VanDerWaalsContact C-N 3.3Å; L261-K263 PolarHBondContact O-N 3.46Å; K263-R267 WeakPolarHBondContact O-CG 3.47Å; K263-R267 PolarHBondContact O-N 3.43Å |
| 264 | N | 94 | Very high | 89 | Confident | 1 Ų | 1 | 67.6 Ų | 67.6 | 1% | 0.005 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 176.3 | -173.2 | 71.5 | 0 | 0 | 0 | 111.8 | V260 L261 A262 L266 R267 Y268 M298 I301 Y302 | V260-N264 PolarHBondContact O-N 3.12Å; L261-N264 CarbonylContact O-C 3.58Å; L261-N264 WeakPolarHBondContact O-CA 3.32Å; L261-N264 WeakPolarHBondContact O-CB 3.29Å; L261-N264 PolarHBondContact O-N 2.77Å; A262-N264 VanDerWaalsContact C-N 3.35Å; N264-L266 VanDerWaalsContact C-N 3.32Å; N264-L266 PolarHBondContact O-N 2.95Å; N264-R267 CarbonylContact O-C 3.57Å; N264-R267 PolarHBondContact O-N 3.07Å; N264-R267 VanDerWaalsContact O-N 3.09Å; N264-Y268 WeakPolarHBondContact O-CB 3.4Å; N264-Y268 PolarHBondContact O-N 3.45Å; N264-M298 PolarHBondContact ND2-O 2.79Å; N264-I301 HydrophobicContact CB-CG2 3.63Å; N264-I301 WeakPolarHBondContact ND2-CB 3.36Å; N264-I301 VanDerWaalsContact ND2-CG2 3.31Å; N264-I301 WeakPolarHBondContact ND2-CG2 3.49Å; N264-Y302 PolarHBondContact ND2-N 2.66Å |
| 265 | E | 94 | Very high | 86.7 | Confident | 69 Ų | 69 | 71.4 Ų | 71.4 | 32% | 0.322 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -55.9 | -45.3 | 176.3 | -177.4 | 162.4 | -147 | 0 | 0 | 112.1 | L261 A262 R267 Y268 S269 Y302 Q305 K309 | L261-E265 PolarHBondContact O-N 2.85Å; A262-E265 PolarHBondContact O-N 3.36Å; E265-R267 PolarHBondContact O-N 3.39Å; E265-Y268 PolarHBondContact O-N 2.9Å; E265-S269 WeakPolarHBondContact O-CB 3.43Å; E265-S269 PolarHBondContact O-N 3.37Å; E265-Y302 HydrophobicContact CG-CE2 4.1Å; E265-Q305 PolarHBondContact OE2-NE2 3.4Å; E265-K309 IonicContact OE1-NZ 3.68Å |
| 266 | L | 91.6 | Very high | 84.6 | Confident | 122 Ų | 122 | 73.4 Ų | 73.4 | 64% | 0.639 | 37% | 0.365 | S | S | * | . | H | α-helix | trans | -58.3 | -47 | 174.2 | -67.9 | 176.4 | 0 | 0 | 0 | 111.7 | A262 N264 S269 T270 | A262-L266 PolarHBondContact O-N 3.36Å; N264-L266 VanDerWaalsContact C-N 3.32Å; N264-L266 PolarHBondContact O-N 2.95Å; L266-S269 PolarHBondContact O-N 2.99Å; L266-S269 PolarHBondContact O-OG 3Å; L266-T270 PolarHBondContact O-N 3.18Å; L266-T270 PolarHBondContact O-OG1 3.46Å |
| 267 | R | 88.7 | Confident | 82.2 | Confident | 104 Ų | 104 | 74.1 Ų | 74.1 | 39% | 0.392 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -66.9 | -38 | 179.7 | -61.7 | 170.3 | 176.7 | 171.9 | -1.4 | 112 | Y232 K263 N264 E265 T270 I271 M298 | Y232-R267 PolarHBondContact O-NH1 2.92Å; K263-R267 WeakPolarHBondContact O-CG 3.47Å; K263-R267 PolarHBondContact O-N 3.43Å; N264-R267 CarbonylContact O-C 3.57Å; N264-R267 PolarHBondContact O-N 3.07Å; N264-R267 VanDerWaalsContact O-N 3.09Å; E265-R267 PolarHBondContact O-N 3.39Å; R267-T270 PolarHBondContact O-N 3.23Å; R267-I271 PolarHBondContact O-N 2.94Å; R267-M298 VanDerWaalsContact C-CE 3.46Å; R267-M298 HydrophobicContact CB-CE 3.3Å; R267-M298 HydrophobicContact CG-CE 4.49Å; R267-M298 WeakPolarHBondContact O-CE 3.43Å |
| 268 | Y | 89 | Confident | 79.5 | Confident | 14 Ų | 14 | 85.8 Ų | 85.8 | 6% | 0.055 | 42% | 0.418 | C | S | . | . | H | α-helix | trans | -67.1 | -39.4 | 178.6 | 179.7 | -115.2 | 0 | 0 | 0 | 111.5 | N264 E265 T270 I271 I272 K299 Y302 I321 | N264-Y268 WeakPolarHBondContact O-CB 3.4Å; N264-Y268 PolarHBondContact O-N 3.45Å; E265-Y268 PolarHBondContact O-N 2.9Å; Y268-T270 PolarHBondContact O-N 3.3Å; Y268-I271 WeakPolarHBondContact O-CB 3.49Å; Y268-I271 PolarHBondContact O-N 3Å; Y268-I272 HydrophobicContact CD1-CD1 3.56Å; Y268-I272 HydrophobicContact CD1-CG1 4.3Å; Y268-I272 HydrophobicContact CD2-CG1 4.49Å; Y268-I272 HydrophobicContact CE1-CD1 3.04Å; Y268-I272 HydrophobicContact CE1-CG1 3.83Å; Y268-I272 HydrophobicContact CE2-CD1 4.13Å; Y268-I272 HydrophobicContact CE2-CG1 3.97Å; Y268-I272 HydrophobicContact CG-CD1 4.31Å; Y268-I272 PolarHBondContact O-N 2.72Å; Y268-K299 HydrophobicContact CD2-CG 4.34Å; Y268-K299 HydrophobicContact CE2-CB 4.41Å; Y268-K299 HydrophobicContact CE2-CG 3.6Å; Y268-Y302 AromaticContact CD1-CD1 3.64Å; Y268-Y302 HydrophobicContact CD1-CD1 3.64Å; Y268-Y302 AromaticContact CD1-CD2 3.4Å; Y268-Y302 HydrophobicContact CD1-CD2 3.4Å; Y268-Y302 VanDerWaalsContact CD1-CD2 3.4Å; Y268-Y302 AromaticContact CD1-CE1 3.91Å; Y268-Y302 HydrophobicContact CD1-CE1 3.91Å; Y268-Y302 AromaticContact CD1-CE2 3.69Å; Y268-Y302 HydrophobicContact CD1-CE2 3.69Å; Y268-Y302 AromaticContact CD1-CG 3.34Å; Y268-Y302 HydrophobicContact CD1-CG 3.34Å; Y268-Y302 AromaticContact CD1-CZ 3.91Å; Y268-Y302 AromaticContact CE1-CD1 3.21Å; Y268-Y302 HydrophobicContact CE1-CD1 3.21Å; Y268-Y302 AromaticContact CE1-CD2 3.92Å; Y268-Y302 HydrophobicContact CE1-CD2 3.92Å; Y268-Y302 AromaticContact CE1-CE1 3.39Å; Y268-Y302 HydrophobicContact CE1-CE1 3.39Å; Y268-Y302 HydrophobicContact CE1-CE2 4.07Å; Y268-Y302 AromaticContact CE1-CG 3.47Å; Y268-Y302 HydrophobicContact CE1-CG 3.47Å; Y268-Y302 VanDerWaalsContact CE1-CG 3.47Å; Y268-Y302 AromaticContact CE1-CZ 3.8Å; Y268-Y302 HydrophobicContact CG-CD2 4.11Å; Y268-Y302 AromaticContact CG-CG 3.98Å; Y268-Y302 HydrophobicContact CG-CG 3.98Å; Y268-Y302 AromaticContact CZ-CD1 3.9Å; Y268-I321 HydrophobicContact CE1-CD1 4.45Å; Y268-I321 WeakPolarHBondContact OH-CD1 3.23Å |
| 269 | S | 86.6 | Confident | 76.9 | Confident | 46 Ų | 46 | 83.8 Ų | 83.8 | 32% | 0.322 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -59.3 | -34.6 | 176.2 | 78.7 | 0 | 0 | 0 | 0 | 112.9 | E265 L266 R273 | E265-S269 WeakPolarHBondContact O-CB 3.43Å; E265-S269 PolarHBondContact O-N 3.37Å; L266-S269 PolarHBondContact O-N 2.99Å; L266-S269 PolarHBondContact O-OG 3Å; S269-R273 VanDerWaalsContact O-CG 3.32Å; S269-R273 WeakPolarHBondContact O-CG 3.26Å; S269-R273 PolarHBondContact O-N 2.79Å |
| 270 | T | 84.7 | Confident | 74.5 | Confident | 83 Ų | 83 | 83.9 Ų | 83.9 | 51% | 0.509 | 42% | 0.416 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 173.9 | -50 | 0 | 0 | 0 | 0 | 111.3 | L266 R267 Y268 R273 E274 | L266-T270 PolarHBondContact O-N 3.18Å; L266-T270 PolarHBondContact O-OG1 3.46Å; R267-T270 PolarHBondContact O-N 3.23Å; Y268-T270 PolarHBondContact O-N 3.3Å; T270-R273 PolarHBondContact O-N 3.03Å; T270-E274 PolarHBondContact O-N 3.2Å; T270-E274 VanDerWaalsContact O-N 3.14Å |
| 271 | I | 77.6 | Confident | 72.1 | Confident | 27 Ų | 27 | 93 Ų | 93 | 14% | 0.138 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -67.1 | -38.7 | 179.6 | -64.5 | -177.7 | 0 | 0 | 0 | 112.1 | R267 Y268 R273 E274 K295 M298 | R267-I271 PolarHBondContact O-N 2.94Å; Y268-I271 WeakPolarHBondContact O-CB 3.49Å; Y268-I271 PolarHBondContact O-N 3Å; I271-R273 VanDerWaalsContact C-N 3.32Å; I271-E274 WeakPolarHBondContact O-CB 3.23Å; I271-E274 PolarHBondContact O-N 3.37Å; I271-K295 HydrophobicContact CD1-CB 4.34Å; I271-K295 HydrophobicContact CD1-CG 4.04Å; I271-K295 HydrophobicContact CG2-CD 4.07Å; I271-M298 HydrophobicContact CD1-CB 4.35Å; I271-M298 HydrophobicContact CD1-CE 3.23Å; I271-M298 HydrophobicContact CD1-SD 3.53Å; I271-M298 VanDerWaalsContact CD1-SD 3.53Å; I271-M298 HydrophobicContact CG1-CE 4.02Å |
| 272 | I | 73.5 | Confident | 69.6 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 49% | 0.487 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -68.2 | -35.5 | 178.1 | -62.5 | 165.2 | 0 | 0 | 0 | 111.2 | Y268 E274 | Y268-I272 HydrophobicContact CD1-CD1 3.56Å; Y268-I272 HydrophobicContact CD1-CG1 4.3Å; Y268-I272 HydrophobicContact CD2-CG1 4.49Å; Y268-I272 HydrophobicContact CE1-CD1 3.04Å; Y268-I272 HydrophobicContact CE1-CG1 3.83Å; Y268-I272 HydrophobicContact CE2-CD1 4.13Å; Y268-I272 HydrophobicContact CE2-CG1 3.97Å; Y268-I272 HydrophobicContact CG-CD1 4.31Å; Y268-I272 PolarHBondContact O-N 2.72Å; I272-E274 VanDerWaalsContact C-N 3.34Å |
| 273 | R | 66.5 | Low | 67.2 | Low | 216 Ų | 216 | 101.2 Ų | 101.2 | 82% | 0.815 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -72.5 | -26.9 | 179.3 | -74.4 | 179.1 | -179.5 | -152.1 | 1.5 | 113.1 | S269 T270 I271 K275 | S269-R273 VanDerWaalsContact O-CG 3.32Å; S269-R273 WeakPolarHBondContact O-CG 3.26Å; S269-R273 PolarHBondContact O-N 2.79Å; T270-R273 PolarHBondContact O-N 3.03Å; I271-R273 VanDerWaalsContact C-N 3.32Å; R273-K275 PolarHBondContact O-N 2.92Å |
| 274 | E | 64 | Low | 65 | Low | 94 Ų | 94 | 104.8 Ų | 104.8 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | S | Bend | trans | -56 | 116.5 | 165.8 | -70.8 | 170.9 | -165.3 | 0 | 0 | 107 | T270 I271 I272 K295 | T270-E274 PolarHBondContact O-N 3.2Å; T270-E274 VanDerWaalsContact O-N 3.14Å; I271-E274 WeakPolarHBondContact O-CB 3.23Å; I271-E274 PolarHBondContact O-N 3.37Å; I272-E274 VanDerWaalsContact C-N 3.34Å; E274-K295 IonicContact OE2-NZ 3.7Å; E274-K295 PolarHBondContact OE2-NZ 3.31Å |
| 275 | K | 49 | Very low | 62.9 | Low | 193 Ų | 193 | 106.3 Ų | 106.3 | 84% | 0.839 | 51% | 0.505 | S | S | * | . | trans | -42.7 | 124.9 | 173.5 | -78.8 | -177.9 | 179.1 | 174.6 | 0 | 106 | R273 S277 | R273-K275 PolarHBondContact O-N 2.92Å; K275-S277 VanDerWaalsContact C-N 3.29Å; K275-S277 PolarHBondContact O-N 3.43Å | ||
| 276 | P | 52 | Low | 60.9 | Low | 80 Ų | 80 | 107.2 Ų | 107.2 | 52% | 0.519 | 52% | 0.519 | S | S | . | . | trans | -53.4 | 108.6 | 177.5 | 20 | -30 | 0 | 0 | 0 | 104.4 | R278 | P276-R278 PolarHBondContact O-N 2.94Š| ||
| 277 | S | 43.5 | Very low | 58.8 | Low | 65 Ų | 65 | 108.1 Ų | 108.1 | 46% | 0.455 | 52% | 0.515 | S | S | . | . | trans | -46.8 | 122.5 | 177.3 | 166.9 | 0 | 0 | 0 | 0 | 103.5 | K275 S279 S280 | K275-S277 VanDerWaalsContact C-N 3.29Å; K275-S277 PolarHBondContact O-N 3.43Å; S277-S279 CarbonylContact O-C 3.56Å; S277-S279 PolarHBondContact O-N 3.03Å; S277-S280 PolarHBondContact O-N 3.47Å | ||
| 278 | R | 40.9 | Very low | 57.4 | Low | 251 Ų | 251 | 104.6 Ų | 104.6 | 95% | 0.947 | 50% | 0.503 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -50.4 | -18.2 | -174.5 | -95.2 | -178.4 | 170.4 | 167.5 | -3.6 | 111.7 | P276 | P276-R278 PolarHBondContact O-N 2.94Š|
| 279 | S | 43 | Very low | 56 | Low | 59 Ų | 59 | 111.2 Ų | 111.2 | 41% | 0.413 | 53% | 0.527 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.2 | -17.2 | 172.3 | -45 | 0 | 0 | 0 | 0 | 116.5 | S277 R283 | S277-S279 CarbonylContact O-C 3.56Å; S277-S279 PolarHBondContact O-N 3.03Å; S279-R283 WeakPolarHBondContact O-CD 3.45Å; S279-R283 WeakPolarHBondContact O-CG 2.84Å; S279-R283 VanDerWaalsContact O-CZ 3.28Å; S279-R283 PolarHBondContact O-NE 2.96Å |
| 280 | S | 45.5 | Very low | 54.7 | Low | 72 Ų | 72 | 112.5 Ų | 112.5 | 50% | 0.503 | 54% | 0.535 | S | S | . | . | S | Bend | trans | -84.8 | -22.6 | -173.2 | -58 | 0 | 0 | 0 | 0 | 115.3 | S277 I282 R283 | S277-S280 PolarHBondContact O-N 3.47Å; S280-I282 PolarHBondContact O-N 3.21Å; S280-R283 PolarHBondContact OG-NH2 3.28Å |
| 281 | R | 43.1 | Very low | 53.7 | Low | 201 Ų | 201 | 115.7 Ų | 115.7 | 76% | 0.758 | 54% | 0.542 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.5 | 112.1 | 172.7 | -89.7 | -176.3 | -106 | -168.9 | -6.1 | 108.3 | ||
| 282 | I | 45 | Very low | 53.5 | Low | 161 Ų | 161 | 116.1 Ų | 116.1 | 83% | 0.826 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.6 | 39.8 | 173.3 | -34 | 167.1 | 0 | 0 | 0 | 114 | S280 Y284 | S280-I282 PolarHBondContact O-N 3.21Å; I282-Y284 PolarHBondContact O-N 2.94Å |
| 283 | R | 44.9 | Very low | 53.8 | Low | 67 Ų | 67 | 112.4 Ų | 112.4 | 25% | 0.253 | 52% | 0.524 | S | S | . | . | trans | -73.5 | 116.3 | 162 | -105.8 | -176.4 | -70.7 | -149.2 | 5.8 | 107.9 | S279 S280 Y287 | S279-R283 WeakPolarHBondContact O-CD 3.45Å; S279-R283 WeakPolarHBondContact O-CG 2.84Å; S279-R283 VanDerWaalsContact O-CZ 3.28Å; S279-R283 PolarHBondContact O-NE 2.96Å; S280-R283 PolarHBondContact OG-NH2 3.28Å; R283-Y287 HydrophobicContact CG-CD2 4.41Å; R283-Y287 HydrophobicContact CG-CG 4.24Å | ||
| 284 | Y | 47.2 | Very low | 54.6 | Low | 181 Ų | 181 | 105.2 Ų | 105.2 | 71% | 0.71 | 50% | 0.498 | S | S | * | . | trans | -40 | 144 | 165.6 | -67.4 | -88.8 | 0 | 0 | 0 | 109.8 | I282 S286 Y287 | I282-Y284 PolarHBondContact O-N 2.94Å; Y284-S286 PolarHBondContact O-N 3.44Å; Y284-Y287 PolarHBondContact O-N 2.98Å | ||
| 285 | A | 51.5 | Low | 55.6 | Low | 33 Ų | 33 | 104.2 Ų | 104.2 | 27% | 0.273 | 49% | 0.492 | S | S | . | . | G | 310 helix | trans | -47.5 | -20.6 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | Y287 L334 L335 | A285-Y287 VanDerWaalsContact C-N 3.28Å; A285-Y287 PolarHBondContact O-N 3.42Å; A285-L334 HydrophobicContact CB-CB 3.96Å; A285-L334 HydrophobicContact CB-CD1 3.77Å; A285-L335 WeakPolarHBondContact O-CD2 3.47Å; A285-L335 WeakPolarHBondContact O-CG 3.23Å |
| 286 | S | 50.9 | Low | 57.6 | Low | 87 Ų | 87 | 95 Ų | 95 | 61% | 0.608 | 45% | 0.452 | S | S | * | . | G | 310 helix | trans | -67.7 | -7.3 | 174 | 60.5 | 0 | 0 | 0 | 0 | 116.8 | Y284 | Y284-S286 PolarHBondContact O-N 3.44Š|
| 287 | Y | 48.3 | Very low | 59.4 | Low | 142 Ų | 142 | 91.3 Ų | 91.3 | 56% | 0.557 | 43% | 0.428 | S | S | * | . | G | 310 helix | trans | -122.7 | -0.3 | -173 | -71.2 | -80.1 | 0 | 0 | 0 | 116.3 | R283 Y284 A285 R289 | R283-Y287 HydrophobicContact CG-CD2 4.41Å; R283-Y287 HydrophobicContact CG-CG 4.24Å; Y284-Y287 PolarHBondContact O-N 2.98Å; A285-Y287 VanDerWaalsContact C-N 3.28Å; A285-Y287 PolarHBondContact O-N 3.42Å; Y287-R289 PolarHBondContact O-N 3.02Å |
| 288 | F | 57.7 | Low | 61.7 | Low | 30 Ų | 30 | 88.4 Ų | 88.4 | 13% | 0.132 | 41% | 0.407 | C | S | . | . | trans | -67.1 | 131.1 | 172.7 | 177.8 | -66.5 | 0 | 0 | 0 | 109 | D292 F293 E328 S332 L335 | F288-D292 HydrophobicContact CD1-CB 4.31Å; F288-D292 HydrophobicContact CD2-CB 4.13Å; F288-D292 HydrophobicContact CE1-CB 4.13Å; F288-D292 HydrophobicContact CE2-CB 3.89Å; F288-D292 HydrophobicContact CG-CB 4.34Å; F288-D292 HydrophobicContact CZ-CB 3.89Å; F288-F293 HydrophobicContact CE1-CB 4.03Å; F288-F293 HydrophobicContact CZ-CB 4.09Å; F288-F293 HydrophobicContact CZ-CD2 4.26Å; F288-E328 HydrophobicContact CE2-CB 4.22Å; F288-E328 HydrophobicContact CE2-CG 4.44Å; F288-S332 VanDerWaalsContact CE1-OG 3.26Å; F288-S332 WeakPolarHBondContact CE1-OG 3.16Å; F288-S332 WeakPolarHBondContact CE2-OG 2.87Å; F288-S332 WeakPolarHBondContact CZ-OG 3.26Å; F288-L335 HydrophobicContact CB-CD1 3.29Å; F288-L335 HydrophobicContact CB-CD2 4.06Å; F288-L335 HydrophobicContact CB-CG 4.03Å; F288-L335 HydrophobicContact CD1-CD1 3.14Å; F288-L335 HydrophobicContact CE1-CD1 4.14Å; F288-L335 HydrophobicContact CG-CD1 3.45Å; F288-L335 VanDerWaalsContact CG-CD1 3.45Å; F288-L335 WeakPolarHBondContact O-CD1 3.42Å; F288-L335 WeakPolarHBondContact O-CD2 3.2Å | ||
| 289 | R | 60 | Low | 64.2 | Low | 152 Ų | 152 | 77.9 Ų | 77.9 | 57% | 0.574 | 37% | 0.368 | S | S | * | . | trans | -103.3 | 150.9 | -178.2 | -57 | -178.5 | -162.6 | 176.3 | 2.9 | 109 | Y287 K291 D292 | Y287-R289 PolarHBondContact O-N 3.02Å; R289-K291 PolarHBondContact O-N 3.31Å; R289-D292 PolarHBondContact N-OD2 3.4Å; R289-D292 WeakPolarHBondContact O-CA 2.97Å; R289-D292 VanDerWaalsContact O-CB 3.27Å; R289-D292 WeakPolarHBondContact O-CB 3.22Å; R289-D292 PolarHBondContact O-N 2.95Å | ||
| 290 | P | 59.6 | Low | 66.7 | Low | 73 Ų | 73 | 75.1 Ų | 75.1 | 47% | 0.474 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -51.3 | -31.4 | 172.6 | -28.5 | 35.1 | 0 | 0 | 0 | 113.6 | D292 F293 | P290-D292 VanDerWaalsContact C-N 3.26Å; P290-D292 PolarHBondContact O-N 3.2Å; P290-F293 VanDerWaalsContact O-CB 3.25Å; P290-F293 WeakPolarHBondContact O-CB 3.47Å; P290-F293 PolarHBondContact O-N 2.9Å; P290-F293 VanDerWaalsContact O-N 3.13Å |
| 291 | K | 64.5 | Low | 69.2 | Low | 151 Ų | 151 | 71.8 Ų | 71.8 | 66% | 0.657 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.5 | -27.2 | 173.4 | -66 | -174.2 | -179.9 | -176.6 | 0 | 114 | R289 F293 W623 | R289-K291 PolarHBondContact O-N 3.31Å; K291-F293 VanDerWaalsContact C-N 3.32Å; K291-W623 HydrophobicContact CG-CZ2 4.39Å |
| 292 | D | 71.9 | Confident | 71.7 | Confident | 36 Ų | 36 | 63 Ų | 63 | 19% | 0.193 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -73.1 | -27.7 | 176.6 | -60.3 | -40.2 | 0 | 0 | 0 | 111.2 | F288 R289 P290 R294 K295 T296 | F288-D292 HydrophobicContact CD1-CB 4.31Å; F288-D292 HydrophobicContact CD2-CB 4.13Å; F288-D292 HydrophobicContact CE1-CB 4.13Å; F288-D292 HydrophobicContact CE2-CB 3.89Å; F288-D292 HydrophobicContact CG-CB 4.34Å; F288-D292 HydrophobicContact CZ-CB 3.89Å; R289-D292 PolarHBondContact N-OD2 3.4Å; R289-D292 WeakPolarHBondContact O-CA 2.97Å; R289-D292 VanDerWaalsContact O-CB 3.27Å; R289-D292 WeakPolarHBondContact O-CB 3.22Å; R289-D292 PolarHBondContact O-N 2.95Å; P290-D292 VanDerWaalsContact C-N 3.26Å; P290-D292 PolarHBondContact O-N 3.2Å; D292-R294 PolarHBondContact O-N 3.44Å; D292-K295 WeakPolarHBondContact O-CA 3.49Å; D292-K295 WeakPolarHBondContact O-CB 3.25Å; D292-K295 PolarHBondContact O-N 3.31Å; D292-T296 PolarHBondContact O-N 3.02Å; D292-T296 VanDerWaalsContact O-N 3.12Å; D292-T296 PolarHBondContact O-OG1 3.07Å |
| 293 | F | 80.3 | Confident | 74.1 | Confident | 16 Ų | 16 | 55.4 Ų | 55.4 | 7% | 0.07 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.8 | -32.9 | 178.8 | -166 | -123.8 | 0 | 0 | 0 | 112.9 | F288 P290 K291 K295 T296 I297 L329 T378 I381 F382 | F288-F293 HydrophobicContact CE1-CB 4.03Å; F288-F293 HydrophobicContact CZ-CB 4.09Å; F288-F293 HydrophobicContact CZ-CD2 4.26Å; P290-F293 VanDerWaalsContact O-CB 3.25Å; P290-F293 WeakPolarHBondContact O-CB 3.47Å; P290-F293 PolarHBondContact O-N 2.9Å; P290-F293 VanDerWaalsContact O-N 3.13Å; K291-F293 VanDerWaalsContact C-N 3.32Å; F293-K295 VanDerWaalsContact C-N 3.3Å; F293-K295 PolarHBondContact O-N 2.99Å; F293-T296 WeakPolarHBondContact O-CB 3.12Å; F293-T296 PolarHBondContact O-N 3.03Å; F293-I297 HydrophobicContact CD1-CD1 3.9Å; F293-I297 HydrophobicContact CD1-CG1 4.42Å; F293-I297 HydrophobicContact CE1-CD1 3.87Å; F293-I297 HydrophobicContact CE1-CG1 4.28Å; F293-I297 WeakPolarHBondContact O-CG1 3.36Å; F293-I297 PolarHBondContact O-N 3.47Å; F293-L329 HydrophobicContact CE2-CD2 4.4Å; F293-T378 HydrophobicContact CD1-CG2 4.21Å; F293-T378 HydrophobicContact CE1-CG2 4.11Å; F293-I381 HydrophobicContact CE1-CB 4.09Å; F293-I381 HydrophobicContact CE1-CD1 3.89Å; F293-I381 HydrophobicContact CE1-CG2 3.68Å; F293-I381 HydrophobicContact CZ-CB 4.27Å; F293-I381 HydrophobicContact CZ-CG2 3.72Å; F293-F382 HydrophobicContact CE2-CD1 4.5Å; F293-F382 AromaticContact CE2-CE1 3.66Å; F293-F382 HydrophobicContact CE2-CE1 3.66Å; F293-F382 AromaticContact CE2-CZ 3.73Å; F293-F382 HydrophobicContact CE2-CZ 3.73Å; F293-F382 HydrophobicContact CZ-CD1 4.4Å; F293-F382 AromaticContact CZ-CE1 3.89Å; F293-F382 HydrophobicContact CZ-CE1 3.89Å; F293-F382 HydrophobicContact CZ-CE2 4.34Å; F293-F382 AromaticContact CZ-CZ 3.85Å; F293-F382 HydrophobicContact CZ-CZ 3.85Å |
| 294 | R | 83.3 | Confident | 76.6 | Confident | 66 Ų | 66 | 52.2 Ų | 52.2 | 25% | 0.249 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -55.5 | -45.9 | 169.6 | 168.7 | 178.8 | -176.7 | 171.8 | 1.4 | 111.9 | Y232 D292 T296 I297 M298 | Y232-R294 HydrophobicContact CD1-CG 4.11Å; Y232-R294 HydrophobicContact CE1-CB 4.36Å; Y232-R294 VanDerWaalsContact CE1-CD 3.43Å; Y232-R294 HydrophobicContact CE1-CG 3.44Å; Y232-R294 VanDerWaalsContact CE1-CG 3.44Å; Y232-R294 HydrophobicContact CE2-CB 4.05Å; Y232-R294 HydrophobicContact CE2-CG 3.94Å; Y232-R294 VanDerWaalsContact OH-CD 3.26Å; Y232-R294 WeakPolarHBondContact OH-CD 3.47Å; Y232-R294 WeakPolarHBondContact OH-CG 3.24Å; D292-R294 PolarHBondContact O-N 3.44Å; R294-T296 VanDerWaalsContact C-N 3.31Å; R294-I297 PolarHBondContact O-N 2.58Å; R294-M298 HydrophobicContact CG-SD 4.01Å; R294-M298 WeakPolarHBondContact O-CG 3.43Å; R294-M298 PolarHBondContact O-N 2.87Å |
| 295 | K | 86.1 | Confident | 79 | Confident | 72 Ų | 72 | 44.4 Ų | 44.4 | 31% | 0.313 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -65.8 | -39.3 | -179.4 | -58.4 | -165.1 | 166.3 | -167.2 | 0 | 109.9 | I271 E274 D292 F293 M298 K299 | I271-K295 HydrophobicContact CD1-CB 4.34Å; I271-K295 HydrophobicContact CD1-CG 4.04Å; I271-K295 HydrophobicContact CG2-CD 4.07Å; E274-K295 IonicContact OE2-NZ 3.7Å; E274-K295 PolarHBondContact OE2-NZ 3.31Å; D292-K295 WeakPolarHBondContact O-CA 3.49Å; D292-K295 WeakPolarHBondContact O-CB 3.25Å; D292-K295 PolarHBondContact O-N 3.31Å; F293-K295 VanDerWaalsContact C-N 3.3Å; F293-K295 PolarHBondContact O-N 2.99Å; K295-M298 PolarHBondContact O-N 3.29Å; K295-K299 WeakPolarHBondContact O-CB 3.33Å; K295-K299 WeakPolarHBondContact O-CG 3.31Å; K295-K299 PolarHBondContact O-N 3.25Å |
| 296 | T | 89.5 | Confident | 81.1 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -60.7 | -45.3 | 173.9 | -49.6 | 0 | 0 | 0 | 0 | 112.2 | D292 F293 R294 M298 K299 F300 E328 L329 | D292-T296 PolarHBondContact O-N 3.02Å; D292-T296 VanDerWaalsContact O-N 3.12Å; D292-T296 PolarHBondContact O-OG1 3.07Å; F293-T296 WeakPolarHBondContact O-CB 3.12Å; F293-T296 PolarHBondContact O-N 3.03Å; R294-T296 VanDerWaalsContact C-N 3.31Å; T296-M298 VanDerWaalsContact C-N 3.34Å; T296-M298 PolarHBondContact O-N 3.26Å; T296-K299 PolarHBondContact O-N 3.37Å; T296-F300 WeakPolarHBondContact O-CB 3.1Å; T296-F300 PolarHBondContact O-N 3.05Å; T296-E328 WeakPolarHBondContact CA-OE2 3.31Å; T296-E328 VanDerWaalsContact CB-OE2 3.28Å; T296-E328 WeakPolarHBondContact CB-OE2 3.1Å; T296-E328 HydrophobicContact CG2-CB 3.78Å; T296-E328 WeakPolarHBondContact CG2-OE2 3.4Å; T296-E328 PolarHBondContact OG1-OE2 2.98Å; T296-L329 HydrophobicContact CG2-CD2 4.24Å; T296-L329 HydrophobicContact CG2-CG 4.35Å |
| 297 | I | 91.2 | Very high | 83.2 | Confident | 3 Ų | 3 | 38.9 Ų | 38.9 | 2% | 0.015 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -60.4 | -44.7 | 175.9 | -65.9 | 166.1 | 0 | 0 | 0 | 110.7 | Y232 L234 F293 R294 F300 I301 I381 | Y232-I297 HydrophobicContact CD2-CB 4.36Å; Y232-I297 HydrophobicContact CD2-CD1 3.95Å; Y232-I297 HydrophobicContact CD2-CG2 4.08Å; Y232-I297 HydrophobicContact CE2-CD1 4.18Å; Y232-I297 HydrophobicContact CG-CG2 4.48Å; L234-I297 HydrophobicContact CB-CG2 4.34Å; L234-I297 HydrophobicContact CD1-CG2 4.42Å; F293-I297 HydrophobicContact CD1-CD1 3.9Å; F293-I297 HydrophobicContact CD1-CG1 4.42Å; F293-I297 HydrophobicContact CE1-CD1 3.87Å; F293-I297 HydrophobicContact CE1-CG1 4.28Å; F293-I297 WeakPolarHBondContact O-CG1 3.36Å; F293-I297 PolarHBondContact O-N 3.47Å; R294-I297 PolarHBondContact O-N 2.58Å; I297-F300 PolarHBondContact O-N 2.85Å; I297-I301 HydrophobicContact CG2-CD1 4Å; I297-I301 WeakPolarHBondContact O-CG1 3.36Å; I297-I301 PolarHBondContact O-N 3.23Å; I297-I381 HydrophobicContact CD1-CD1 4.48Å; I297-I381 HydrophobicContact CD1-CG2 4.1Å; I297-I381 HydrophobicContact CG1-CG2 4.33Å |
| 298 | M | 91.3 | Very high | 85.4 | Confident | 4 Ų | 4 | 34.5 Ų | 34.5 | 2% | 0.02 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -66.2 | -39.5 | 179.8 | -68.9 | 173 | 57 | 0 | 0 | 112.6 | N264 R267 I271 R294 K295 T296 Y302 | N264-M298 PolarHBondContact ND2-O 2.79Å; R267-M298 VanDerWaalsContact C-CE 3.46Å; R267-M298 HydrophobicContact CB-CE 3.3Å; R267-M298 HydrophobicContact CG-CE 4.49Å; R267-M298 WeakPolarHBondContact O-CE 3.43Å; I271-M298 HydrophobicContact CD1-CB 4.35Å; I271-M298 HydrophobicContact CD1-CE 3.23Å; I271-M298 HydrophobicContact CD1-SD 3.53Å; I271-M298 VanDerWaalsContact CD1-SD 3.53Å; I271-M298 HydrophobicContact CG1-CE 4.02Å; R294-M298 HydrophobicContact CG-SD 4.01Å; R294-M298 WeakPolarHBondContact O-CG 3.43Å; R294-M298 PolarHBondContact O-N 2.87Å; K295-M298 PolarHBondContact O-N 3.29Å; T296-M298 VanDerWaalsContact C-N 3.34Å; T296-M298 PolarHBondContact O-N 3.26Å; M298-Y302 PolarHBondContact O-N 3Å |
| 299 | K | 93.4 | Very high | 87 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 13% | 0.13 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -47.5 | 171.1 | -80 | 177.4 | 174.7 | -163.9 | 0 | 111.1 | Y268 K295 T296 I301 Y302 L303 D324 I325 E328 | Y268-K299 HydrophobicContact CD2-CG 4.34Å; Y268-K299 HydrophobicContact CE2-CB 4.41Å; Y268-K299 HydrophobicContact CE2-CG 3.6Å; K295-K299 WeakPolarHBondContact O-CB 3.33Å; K295-K299 WeakPolarHBondContact O-CG 3.31Å; K295-K299 PolarHBondContact O-N 3.25Å; T296-K299 PolarHBondContact O-N 3.37Å; K299-I301 PolarHBondContact O-N 3.11Å; K299-Y302 CarbonylContact O-C 3.57Å; K299-Y302 WeakPolarHBondContact O-CB 3.39Å; K299-Y302 PolarHBondContact O-N 3.27Å; K299-Y302 VanDerWaalsContact O-N 3.13Å; K299-L303 PolarHBondContact O-N 3.03Å; K299-D324 IonicContact NZ-OD2 3.54Å; K299-I325 HydrophobicContact CB-CD1 4.06Å; K299-I325 HydrophobicContact CB-CG1 3.76Å; K299-E328 IonicContact NZ-OE1 3.62Å; K299-E328 PolarHBondContact NZ-OE1 3.42Å |
| 300 | F | 96.2 | Very high | 88.3 | Confident | 1 Ų | 1 | 32.5 Ų | 32.5 | 0% | 0.004 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -58.8 | -47.7 | 177.6 | 171 | -102.5 | 0 | 0 | 0 | 112 | L234 T296 I297 Y302 L303 I304 I325 M385 I388 F478 | L234-F300 HydrophobicContact CD1-CD1 3.66Å; L234-F300 HydrophobicContact CD1-CE1 3.6Å; T296-F300 WeakPolarHBondContact O-CB 3.1Å; T296-F300 PolarHBondContact O-N 3.05Å; I297-F300 PolarHBondContact O-N 2.85Å; F300-Y302 PolarHBondContact O-N 3.15Å; F300-L303 WeakPolarHBondContact O-CB 3.5Å; F300-L303 PolarHBondContact O-N 2.82Å; F300-L303 VanDerWaalsContact O-N 3.09Å; F300-I304 HydrophobicContact CD1-CG1 4.4Å; F300-I304 HydrophobicContact CD2-CG1 4.44Å; F300-I304 HydrophobicContact CE1-CD1 4.48Å; F300-I304 HydrophobicContact CE1-CG1 3.95Å; F300-I304 HydrophobicContact CE2-CD1 3.8Å; F300-I304 HydrophobicContact CE2-CG1 3.97Å; F300-I304 HydrophobicContact CZ-CD1 3.76Å; F300-I304 HydrophobicContact CZ-CG1 3.72Å; F300-I304 WeakPolarHBondContact O-CG1 3.41Å; F300-I304 PolarHBondContact O-N 3.28Å; F300-I325 HydrophobicContact CB-CD1 4.44Å; F300-I325 HydrophobicContact CB-CG2 4.38Å; F300-M385 HydrophobicContact CB-CE 3.46Å; F300-M385 VanDerWaalsContact CB-CE 3.46Å; F300-M385 HydrophobicContact CD1-CE 3.77Å; F300-M385 HydrophobicContact CD1-CG 4.06Å; F300-M385 HydrophobicContact CD2-CE 3.63Å; F300-M385 HydrophobicContact CE1-CB 4.13Å; F300-M385 HydrophobicContact CE1-CE 4.42Å; F300-M385 HydrophobicContact CE1-CG 3.98Å; F300-M385 HydrophobicContact CE2-CB 4.36Å; F300-M385 HydrophobicContact CE2-CE 4.31Å; F300-M385 HydrophobicContact CG-CE 3.31Å; F300-M385 HydrophobicContact CG-CG 4.49Å; F300-M385 HydrophobicContact CZ-CB 4.01Å; F300-M385 HydrophobicContact CZ-CG 4.35Å; F300-M385 WeakPolarHBondContact CZ-O 3.43Å; F300-I388 HydrophobicContact CE1-CB 4.1Å; F300-I388 HydrophobicContact CE1-CD1 4.12Å; F300-I388 HydrophobicContact CE1-CG2 3.84Å; F300-I388 HydrophobicContact CZ-CB 3.94Å; F300-I388 HydrophobicContact CZ-CG2 3.71Å; F300-F478 AromaticContact CD2-CE1 3.83Å; F300-F478 HydrophobicContact CD2-CE1 3.83Å; F300-F478 AromaticContact CD2-CZ 3.96Å; F300-F478 HydrophobicContact CD2-CZ 3.96Å; F300-F478 HydrophobicContact CE2-CD1 4.34Å; F300-F478 AromaticContact CE2-CE1 3.52Å; F300-F478 HydrophobicContact CE2-CE1 3.52Å; F300-F478 HydrophobicContact CE2-CZ 4.14Å |
| 301 | I | 96.4 | Very high | 89.5 | Confident | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.5 | -39.3 | 176 | -67.7 | 170 | 0 | 0 | 0 | 111 | L234 I237 L261 N264 I297 K299 I304 Q305 | L234-I301 HydrophobicContact CB-CD1 4.39Å; L234-I301 HydrophobicContact CD1-CG1 4.19Å; I237-I301 HydrophobicContact CD1-CB 4.14Å; I237-I301 HydrophobicContact CD1-CD1 3.96Å; I237-I301 HydrophobicContact CD1-CG1 3.74Å; I237-I301 HydrophobicContact CD1-CG2 3.37Å; L261-I301 HydrophobicContact CD2-CG2 3.81Å; N264-I301 HydrophobicContact CB-CG2 3.63Å; N264-I301 WeakPolarHBondContact ND2-CB 3.36Å; N264-I301 VanDerWaalsContact ND2-CG2 3.31Å; N264-I301 WeakPolarHBondContact ND2-CG2 3.49Å; I297-I301 HydrophobicContact CG2-CD1 4Å; I297-I301 WeakPolarHBondContact O-CG1 3.36Å; I297-I301 PolarHBondContact O-N 3.23Å; K299-I301 PolarHBondContact O-N 3.11Å; I301-I304 PolarHBondContact O-N 3.26Å; I301-Q305 PolarHBondContact O-N 3.14Å |
| 302 | Y | 96 | Very high | 90.6 | Very high | 18 Ų | 18 | 33 Ų | 33 | 7% | 0.071 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -66.1 | -39 | 175.5 | -172.5 | -100.7 | 0 | 0 | 0 | 112.4 | N264 E265 Y268 M298 K299 F300 Q305 Q306 D315 I321 | N264-Y302 PolarHBondContact ND2-N 2.66Å; E265-Y302 HydrophobicContact CG-CE2 4.1Å; Y268-Y302 AromaticContact CD1-CD1 3.64Å; Y268-Y302 HydrophobicContact CD1-CD1 3.64Å; Y268-Y302 AromaticContact CD1-CD2 3.4Å; Y268-Y302 HydrophobicContact CD1-CD2 3.4Å; Y268-Y302 VanDerWaalsContact CD1-CD2 3.4Å; Y268-Y302 AromaticContact CD1-CE1 3.91Å; Y268-Y302 HydrophobicContact CD1-CE1 3.91Å; Y268-Y302 AromaticContact CD1-CE2 3.69Å; Y268-Y302 HydrophobicContact CD1-CE2 3.69Å; Y268-Y302 AromaticContact CD1-CG 3.34Å; Y268-Y302 HydrophobicContact CD1-CG 3.34Å; Y268-Y302 AromaticContact CD1-CZ 3.91Å; Y268-Y302 AromaticContact CE1-CD1 3.21Å; Y268-Y302 HydrophobicContact CE1-CD1 3.21Å; Y268-Y302 AromaticContact CE1-CD2 3.92Å; Y268-Y302 HydrophobicContact CE1-CD2 3.92Å; Y268-Y302 AromaticContact CE1-CE1 3.39Å; Y268-Y302 HydrophobicContact CE1-CE1 3.39Å; Y268-Y302 HydrophobicContact CE1-CE2 4.07Å; Y268-Y302 AromaticContact CE1-CG 3.47Å; Y268-Y302 HydrophobicContact CE1-CG 3.47Å; Y268-Y302 VanDerWaalsContact CE1-CG 3.47Å; Y268-Y302 AromaticContact CE1-CZ 3.8Å; Y268-Y302 HydrophobicContact CG-CD2 4.11Å; Y268-Y302 AromaticContact CG-CG 3.98Å; Y268-Y302 HydrophobicContact CG-CG 3.98Å; Y268-Y302 AromaticContact CZ-CD1 3.9Å; M298-Y302 PolarHBondContact O-N 3Å; K299-Y302 CarbonylContact O-C 3.57Å; K299-Y302 WeakPolarHBondContact O-CB 3.39Å; K299-Y302 PolarHBondContact O-N 3.27Å; K299-Y302 VanDerWaalsContact O-N 3.13Å; F300-Y302 PolarHBondContact O-N 3.15Å; Y302-Q305 WeakPolarHBondContact O-CA 3.31Å; Y302-Q305 VanDerWaalsContact O-CB 3.27Å; Y302-Q305 WeakPolarHBondContact O-CB 3.34Å; Y302-Q305 PolarHBondContact O-N 3.3Å; Y302-Q305 VanDerWaalsContact O-N 3.15Å; Y302-Q306 HydrophobicContact CD1-CG 4.2Å; Y302-Q306 HydrophobicContact CE1-CG 3.96Å; Y302-Q306 VanDerWaalsContact CE1-NE2 3.26Å; Y302-Q306 WeakPolarHBondContact O-CG 3.43Å; Y302-Q306 PolarHBondContact O-N 3.36Å; Y302-Q306 PolarHBondContact OH-NE2 2.9Å; Y302-Q306 VanDerWaalsContact OH-NE2 3.11Å; Y302-D315 PolarHBondContact OH-OD2 3.32Å; Y302-I321 HydrophobicContact CD1-CD1 3.85Å; Y302-I321 HydrophobicContact CE1-CD1 3.77Å |
| 303 | L | 96.5 | Very high | 91.4 | Very high | 0 Ų | 0 | 34.2 Ų | 34.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -60.4 | -45.6 | 173.1 | 179.7 | 66.7 | 0 | 0 | 0 | 111.3 | K299 F300 Q305 Q306 F307 T318 I321 F322 I325 F478 | K299-L303 PolarHBondContact O-N 3.03Å; F300-L303 WeakPolarHBondContact O-CB 3.5Å; F300-L303 PolarHBondContact O-N 2.82Å; F300-L303 VanDerWaalsContact O-N 3.09Å; L303-Q305 VanDerWaalsContact C-N 3.26Å; L303-Q305 PolarHBondContact O-N 3.16Å; L303-Q306 WeakPolarHBondContact O-CB 3.17Å; L303-Q306 PolarHBondContact O-N 3.01Å; L303-F307 HydrophobicContact CD1-CD1 4.44Å; L303-F307 HydrophobicContact CD1-CE1 3.79Å; L303-F307 HydrophobicContact CD1-CE2 4.29Å; L303-F307 HydrophobicContact CD1-CZ 3.7Å; L303-F307 HydrophobicContact CD2-CE2 3.94Å; L303-F307 HydrophobicContact CD2-CZ 3.81Å; L303-F307 HydrophobicContact CG-CD2 4.35Å; L303-F307 HydrophobicContact CG-CE1 4.16Å; L303-F307 HydrophobicContact CG-CE2 3.75Å; L303-F307 HydrophobicContact CG-CZ 3.65Å; L303-F307 PolarHBondContact O-N 3.26Å; L303-T318 HydrophobicContact CD1-CG2 3.79Å; L303-I321 HydrophobicContact CB-CG2 4.21Å; L303-I321 HydrophobicContact CD1-CG2 4.5Å; L303-F322 HydrophobicContact CD1-CB 4.3Å; L303-F322 HydrophobicContact CD2-CD2 4.36Å; L303-I325 HydrophobicContact CB-CD1 3.65Å; L303-I325 HydrophobicContact CD2-CD1 3.68Å; L303-I325 HydrophobicContact CG-CD1 4.24Å; L303-F478 HydrophobicContact CD2-CD2 3.58Å; L303-F478 HydrophobicContact CD2-CE1 4.46Å; L303-F478 HydrophobicContact CD2-CE2 3.46Å; L303-F478 VanDerWaalsContact CD2-CE2 3.46Å; L303-F478 HydrophobicContact CD2-CG 4.12Å; L303-F478 HydrophobicContact CD2-CZ 3.94Å |
| 304 | I | 97.5 | Very high | 91.9 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -58 | -41.1 | 174 | -62 | -54.4 | 0 | 0 | 0 | 110.8 | F300 I301 Q306 F307 L308 I388 T392 | F300-I304 HydrophobicContact CD1-CG1 4.4Å; F300-I304 HydrophobicContact CD2-CG1 4.44Å; F300-I304 HydrophobicContact CE1-CD1 4.48Å; F300-I304 HydrophobicContact CE1-CG1 3.95Å; F300-I304 HydrophobicContact CE2-CD1 3.8Å; F300-I304 HydrophobicContact CE2-CG1 3.97Å; F300-I304 HydrophobicContact CZ-CD1 3.76Å; F300-I304 HydrophobicContact CZ-CG1 3.72Å; F300-I304 WeakPolarHBondContact O-CG1 3.41Å; F300-I304 PolarHBondContact O-N 3.28Å; I301-I304 PolarHBondContact O-N 3.26Å; I304-Q306 VanDerWaalsContact C-N 3.33Å; I304-Q306 PolarHBondContact O-N 3.32Å; I304-F307 HydrophobicContact CD1-CD2 4.06Å; I304-F307 HydrophobicContact CD1-CE2 4.42Å; I304-F307 PolarHBondContact O-N 3.06Å; I304-L308 HydrophobicContact CG2-CD1 4.23Å; I304-L308 WeakPolarHBondContact O-CG 3.47Å; I304-L308 PolarHBondContact O-N 3.14Å; I304-L308 VanDerWaalsContact O-N 3.14Å; I304-I388 HydrophobicContact CD1-CG2 3.91Å; I304-I388 HydrophobicContact CG1-CG2 3.77Å; I304-I388 HydrophobicContact CG2-CG2 4.29Å; I304-T392 HydrophobicContact CD1-CG2 4.41Å; I304-T392 HydrophobicContact CG2-CG2 4.3Å |
| 305 | Q | 96.6 | Very high | 92.1 | Very high | 17 Ų | 17 | 34.5 Ų | 34.5 | 8% | 0.079 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -60 | -41.1 | 173.7 | -171.6 | -177.7 | -5.8 | 0 | 0 | 112.3 | L261 E265 I301 Y302 L303 L308 K309 | L261-Q305 HydrophobicContact CB-CB 4.45Å; L261-Q305 HydrophobicContact CB-CG 4.07Å; L261-Q305 HydrophobicContact CD1-CB 4.35Å; L261-Q305 HydrophobicContact CD1-CG 4.25Å; L261-Q305 HydrophobicContact CD2-CB 4.16Å; L261-Q305 PolarHBondContact O-OE1 3.48Å; E265-Q305 PolarHBondContact OE2-NE2 3.4Å; I301-Q305 PolarHBondContact O-N 3.14Å; Y302-Q305 WeakPolarHBondContact O-CA 3.31Å; Y302-Q305 VanDerWaalsContact O-CB 3.27Å; Y302-Q305 WeakPolarHBondContact O-CB 3.34Å; Y302-Q305 PolarHBondContact O-N 3.3Å; Y302-Q305 VanDerWaalsContact O-N 3.15Å; L303-Q305 VanDerWaalsContact C-N 3.26Å; L303-Q305 PolarHBondContact O-N 3.16Å; Q305-L308 PolarHBondContact O-N 3.42Å; Q305-K309 PolarHBondContact O-N 2.99Å |
| 306 | Q | 95.3 | Very high | 92.1 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -66.1 | -40.8 | 176.6 | -59.8 | -49.6 | -49.8 | 0 | 0 | 111.6 | Y302 L303 I304 L308 K309 R314 T318 | Y302-Q306 HydrophobicContact CD1-CG 4.2Å; Y302-Q306 HydrophobicContact CE1-CG 3.96Å; Y302-Q306 VanDerWaalsContact CE1-NE2 3.26Å; Y302-Q306 WeakPolarHBondContact O-CG 3.43Å; Y302-Q306 PolarHBondContact O-N 3.36Å; Y302-Q306 PolarHBondContact OH-NE2 2.9Å; Y302-Q306 VanDerWaalsContact OH-NE2 3.11Å; L303-Q306 WeakPolarHBondContact O-CB 3.17Å; L303-Q306 PolarHBondContact O-N 3.01Å; I304-Q306 VanDerWaalsContact C-N 3.33Å; I304-Q306 PolarHBondContact O-N 3.32Å; Q306-L308 PolarHBondContact O-N 2.72Å; Q306-K309 WeakPolarHBondContact O-CB 3.1Å; Q306-K309 PolarHBondContact O-N 3.48Å; Q306-R314 WeakPolarHBondContact O-CD 3.41Å; Q306-R314 WeakPolarHBondContact O-CG 3.33Å; Q306-R314 PolarHBondContact O-NE 3.15Å; Q306-T318 HydrophobicContact CB-CG2 3.96Å; Q306-T318 HydrophobicContact CG-CG2 4.38Å |
| 307 | F | 95.4 | Very high | 92 | Very high | 3 Ų | 3 | 38.6 Ų | 38.6 | 1% | 0.013 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.3 | -38 | 175.8 | -71.7 | -20 | 0 | 0 | 0 | 113.1 | L303 I304 K309 R314 F322 T392 I396 Y473 P475 F478 | L303-F307 HydrophobicContact CD1-CD1 4.44Å; L303-F307 HydrophobicContact CD1-CE1 3.79Å; L303-F307 HydrophobicContact CD1-CE2 4.29Å; L303-F307 HydrophobicContact CD1-CZ 3.7Å; L303-F307 HydrophobicContact CD2-CE2 3.94Å; L303-F307 HydrophobicContact CD2-CZ 3.81Å; L303-F307 HydrophobicContact CG-CD2 4.35Å; L303-F307 HydrophobicContact CG-CE1 4.16Å; L303-F307 HydrophobicContact CG-CE2 3.75Å; L303-F307 HydrophobicContact CG-CZ 3.65Å; L303-F307 PolarHBondContact O-N 3.26Å; I304-F307 HydrophobicContact CD1-CD2 4.06Å; I304-F307 HydrophobicContact CD1-CE2 4.42Å; I304-F307 PolarHBondContact O-N 3.06Å; F307-K309 VanDerWaalsContact C-N 3.25Å; F307-K309 PolarHBondContact O-N 3.24Å; F307-R314 PolarHBondContact O-NH2 2.95Å; F307-F322 HydrophobicContact CE1-CD2 4.44Å; F307-F322 AromaticContact CZ-CD2 3.96Å; F307-F322 HydrophobicContact CZ-CD2 3.96Å; F307-F322 HydrophobicContact CZ-CE2 4.16Å; F307-T392 HydrophobicContact CB-CG2 3.94Å; F307-T392 HydrophobicContact CD2-CG2 4.24Å; F307-I396 HydrophobicContact CB-CD1 4.13Å; F307-I396 VanDerWaalsContact O-CD1 3.28Å; F307-I396 WeakPolarHBondContact O-CD1 3.38Å; F307-Y473 WeakPolarHBondContact CE1-O 3.27Å; F307-P475 HydrophobicContact CB-CG 3.92Å; F307-P475 HydrophobicContact CD1-CG 4.34Å; F307-P475 HydrophobicContact CD2-CB 4.18Å; F307-P475 HydrophobicContact CD2-CG 4Å; F307-P475 HydrophobicContact CG-CG 3.84Å; F307-F478 HydrophobicContact CE2-CB 3.88Å; F307-F478 HydrophobicContact CE2-CG 4.15Å; F307-F478 HydrophobicContact CZ-CB 3.88Å; F307-F478 HydrophobicContact CZ-CG 4.28Å |
| 308 | L | 94.7 | Very high | 91.9 | Very high | 49 Ų | 49 | 38.9 Ų | 38.9 | 26% | 0.257 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | -10 | 178.5 | -64.5 | 172.5 | 0 | 0 | 0 | 114 | L257 L261 I304 Q305 Q306 T392 Y395 I396 | L257-L308 HydrophobicContact CD2-CD1 4.04Å; L261-L308 HydrophobicContact CD1-CD1 3.76Å; I304-L308 HydrophobicContact CG2-CD1 4.23Å; I304-L308 WeakPolarHBondContact O-CG 3.47Å; I304-L308 PolarHBondContact O-N 3.14Å; I304-L308 VanDerWaalsContact O-N 3.14Å; Q305-L308 PolarHBondContact O-N 3.42Å; Q306-L308 PolarHBondContact O-N 2.72Å; L308-T392 HydrophobicContact CD2-CG2 4.23Å; L308-T392 HydrophobicContact CG-CG2 4.49Å; L308-Y395 HydrophobicContact CD2-CD1 3.64Å; L308-Y395 HydrophobicContact CD2-CE1 4.03Å; L308-I396 HydrophobicContact CD2-CD1 4.31Å; L308-I396 HydrophobicContact CD2-CG1 4.27Å |
| 309 | K | 92 | Very high | 91.8 | Very high | 56 Ų | 56 | 42.2 Ų | 42.2 | 24% | 0.243 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -87.1 | 147.4 | 173.8 | -72.7 | 176.9 | -175.8 | 175.5 | 0 | 111 | E265 Q305 Q306 F307 R314 | E265-K309 IonicContact OE1-NZ 3.68Å; Q305-K309 PolarHBondContact O-N 2.99Å; Q306-K309 WeakPolarHBondContact O-CB 3.1Å; Q306-K309 PolarHBondContact O-N 3.48Å; F307-K309 VanDerWaalsContact C-N 3.25Å; F307-K309 PolarHBondContact O-N 3.24Å; K309-R314 HydrophobicContact CB-CG 4.19Å; K309-R314 PolarHBondContact O-NE 3.29Å; K309-R314 VanDerWaalsContact O-NE 3.12Å; K309-R314 PolarHBondContact O-NH2 3.03Å |
| 310 | P | 87.1 | Confident | 91.5 | Very high | 84 Ų | 84 | 45.6 Ų | 45.6 | 55% | 0.545 | 25% | 0.251 | S | S | . | . | trans | -51.1 | 143.1 | 164.5 | -24.1 | 31.7 | 0 | 0 | 0 | 111.1 | E312 S313 R314 | P310-E312 PolarHBondContact O-N 3.16Å; P310-S313 WeakPolarHBondContact CD-OG 3.43Å; P310-S313 PolarHBondContact O-N 3.29Å; P310-S313 PolarHBondContact O-OG 3.19Å; P310-R314 PolarHBondContact O-N 3.07Å | ||
| 311 | V | 85.2 | Confident | 91.2 | Very high | 61 Ų | 61 | 45.9 Ų | 45.9 | 37% | 0.37 | 25% | 0.253 | S | S | . | . | G | 310 helix | trans | -54.7 | -40.6 | -172.2 | 177.6 | 0 | 0 | 0 | 0 | 111.5 | S313 R314 D471 | V311-S313 PolarHBondContact O-N 3.45Å; V311-R314 WeakPolarHBondContact O-CB 3.45Å; V311-R314 PolarHBondContact O-N 3.24Å; V311-D471 WeakPolarHBondContact CG1-OD2 3.5Å |
| 312 | E | 86 | Confident | 91.1 | Very high | 174 Ų | 174 | 46.2 Ų | 46.2 | 81% | 0.813 | 25% | 0.254 | S | S | * | . | G | 310 helix | trans | -65.7 | -21.5 | -179 | -54.5 | 79.3 | -174 | 0 | 0 | 113.2 | P310 | P310-E312 PolarHBondContact O-N 3.16Š|
| 313 | S | 88.7 | Confident | 90.9 | Very high | 62 Ų | 62 | 49.1 Ų | 49.1 | 43% | 0.434 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -103.7 | 3.2 | -178 | 69 | 0 | 0 | 0 | 0 | 113.9 | P310 V311 | P310-S313 WeakPolarHBondContact CD-OG 3.43Å; P310-S313 PolarHBondContact O-N 3.29Å; P310-S313 PolarHBondContact O-OG 3.19Å; V311-S313 PolarHBondContact O-N 3.45Å |
| 314 | R | 91.2 | Very high | 90.5 | Very high | 43 Ų | 43 | 52.8 Ų | 52.8 | 16% | 0.162 | 29% | 0.287 | C | S | . | . | S | Bend | trans | -75.1 | 148.6 | 179 | -67.9 | -177 | -179.1 | 169.5 | -0.2 | 111.2 | Q306 F307 K309 P310 V311 | Q306-R314 WeakPolarHBondContact O-CD 3.41Å; Q306-R314 WeakPolarHBondContact O-CG 3.33Å; Q306-R314 PolarHBondContact O-NE 3.15Å; F307-R314 PolarHBondContact O-NH2 2.95Å; K309-R314 HydrophobicContact CB-CG 4.19Å; K309-R314 PolarHBondContact O-NE 3.29Å; K309-R314 VanDerWaalsContact O-NE 3.12Å; K309-R314 PolarHBondContact O-NH2 3.03Å; P310-R314 PolarHBondContact O-N 3.07Å; V311-R314 WeakPolarHBondContact O-CB 3.45Å; V311-R314 PolarHBondContact O-N 3.24Å |
| 315 | D | 88.1 | Confident | 90.2 | Very high | 44 Ų | 44 | 52.7 Ų | 52.7 | 24% | 0.235 | 29% | 0.287 | C | S | . | . | trans | -60.5 | 127.7 | 171.7 | -175.9 | -13.9 | 0 | 0 | 0 | 109.7 | Y302 A317 T318 | Y302-D315 PolarHBondContact OH-OD2 3.32Å; D315-A317 PolarHBondContact O-N 2.97Å; D315-A317 VanDerWaalsContact O-N 3.08Å; D315-A317 WeakPolarHBondContact OD1-CB 3.31Å; D315-A317 PolarHBondContact OD1-N 3.39Å; D315-T318 VanDerWaalsContact O-CB 3.23Å; D315-T318 WeakPolarHBondContact O-CB 3.29Å; D315-T318 PolarHBondContact O-N 3.47Å; D315-T318 PolarHBondContact O-OG1 3.27Å | ||
| 316 | P | 85.8 | Confident | 90.1 | Very high | 126 Ų | 126 | 53 Ų | 53 | 82% | 0.818 | 29% | 0.289 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -21.3 | 174.2 | 24.5 | -36 | 0 | 0 | 0 | 113.3 | T318 | P316-T318 PolarHBondContact O-N 3.14Š|
| 317 | A | 87.2 | Confident | 89.7 | Confident | 32 Ų | 32 | 54.9 Ų | 54.9 | 26% | 0.264 | 31% | 0.305 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76.7 | -2.4 | 174 | 0 | 0 | 0 | 0 | 0 | 114.2 | D315 E319 N320 I321 | D315-A317 PolarHBondContact O-N 2.97Å; D315-A317 VanDerWaalsContact O-N 3.08Å; D315-A317 WeakPolarHBondContact OD1-CB 3.31Å; D315-A317 PolarHBondContact OD1-N 3.39Å; A317-E319 VanDerWaalsContact C-N 3.26Å; A317-E319 PolarHBondContact O-N 2.91Å; A317-N320 PolarHBondContact O-N 3.45Å; A317-I321 HydrophobicContact CB-CD1 4.2Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 3.36Å; A317-I321 PolarHBondContact O-N 3.18Å |
| 318 | T | 89 | Confident | 89.3 | Confident | 10 Ų | 10 | 56.7 Ų | 56.7 | 6% | 0.061 | 31% | 0.313 | C | S | . | . | H | α-helix | trans | -54.5 | -39.7 | -176.9 | -60.5 | 0 | 0 | 0 | 0 | 112.5 | L303 Q306 D315 P316 I321 F322 | L303-T318 HydrophobicContact CD1-CG2 3.79Å; Q306-T318 HydrophobicContact CB-CG2 3.96Å; Q306-T318 HydrophobicContact CG-CG2 4.38Å; D315-T318 VanDerWaalsContact O-CB 3.23Å; D315-T318 WeakPolarHBondContact O-CB 3.29Å; D315-T318 PolarHBondContact O-N 3.47Å; D315-T318 PolarHBondContact O-OG1 3.27Å; P316-T318 PolarHBondContact O-N 3.14Å; T318-I321 PolarHBondContact O-N 3.45Å; T318-F322 WeakPolarHBondContact O-CB 3.42Å; T318-F322 PolarHBondContact O-N 3.38Å |
| 319 | E | 89.1 | Confident | 89.1 | Confident | 73 Ų | 73 | 54.3 Ų | 54.3 | 34% | 0.341 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.9 | -46 | 175.3 | 169.1 | 171.7 | -165.6 | 0 | 0 | 112.3 | A317 I321 F322 H323 Y473 | A317-E319 VanDerWaalsContact C-N 3.26Å; A317-E319 PolarHBondContact O-N 2.91Å; E319-I321 VanDerWaalsContact C-N 3.33Å; E319-I321 PolarHBondContact O-N 3.34Å; E319-F322 WeakPolarHBondContact O-CB 3.24Å; E319-F322 PolarHBondContact O-N 3.47Å; E319-H323 PolarHBondContact O-CD2 3.45Å; E319-H323 PolarHBondContact O-N 3.09Å; E319-Y473 HydrophobicContact CB-CD2 4Å; E319-Y473 HydrophobicContact CB-CE2 3.93Å; E319-Y473 HydrophobicContact CB-CG 4.36Å; E319-Y473 VanDerWaalsContact CD-CZ 3.42Å; E319-Y473 VanDerWaalsContact CD-OH 3.27Å; E319-Y473 HydrophobicContact CG-CD1 4.47Å; E319-Y473 HydrophobicContact CG-CD2 4.06Å; E319-Y473 HydrophobicContact CG-CE1 3.99Å; E319-Y473 HydrophobicContact CG-CE2 3.48Å; E319-Y473 VanDerWaalsContact CG-CE2 3.48Å; E319-Y473 VanDerWaalsContact CG-CZ 3.43Å; E319-Y473 VanDerWaalsContact OE1-CE2 3.3Å; E319-Y473 WeakPolarHBondContact OE1-CE2 3.45Å; E319-Y473 PolarHBondContact OE1-OH 2.92Å |
| 320 | N | 88.2 | Confident | 88.8 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 55% | 0.545 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -65.4 | -40.9 | 178.1 | -65.1 | -40.7 | 0 | 0 | 0 | 110.9 | A317 F322 H323 D324 | A317-N320 PolarHBondContact O-N 3.45Å; N320-F322 VanDerWaalsContact C-N 3.34Å; N320-F322 PolarHBondContact O-N 3.19Å; N320-H323 PolarHBondContact O-N 3.07Å; N320-D324 VanDerWaalsContact O-CB 3.24Å; N320-D324 WeakPolarHBondContact O-CB 3.47Å; N320-D324 VanDerWaalsContact O-CG 3.26Å; N320-D324 PolarHBondContact O-N 3.15Å |
| 321 | I | 90.3 | Very high | 88.6 | Confident | 7 Ų | 7 | 51 Ų | 51 | 4% | 0.036 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 178.2 | -64.8 | 165.5 | 0 | 0 | 0 | 110.4 | Y268 Y302 L303 A317 T318 E319 D324 I325 | Y268-I321 HydrophobicContact CE1-CD1 4.45Å; Y268-I321 WeakPolarHBondContact OH-CD1 3.23Å; Y302-I321 HydrophobicContact CD1-CD1 3.85Å; Y302-I321 HydrophobicContact CE1-CD1 3.77Å; L303-I321 HydrophobicContact CB-CG2 4.21Å; L303-I321 HydrophobicContact CD1-CG2 4.5Å; A317-I321 HydrophobicContact CB-CD1 4.2Å; A317-I321 VanDerWaalsContact O-CG1 3.31Å; A317-I321 WeakPolarHBondContact O-CG1 3.36Å; A317-I321 PolarHBondContact O-N 3.18Å; T318-I321 PolarHBondContact O-N 3.45Å; E319-I321 VanDerWaalsContact C-N 3.33Å; E319-I321 PolarHBondContact O-N 3.34Å; I321-D324 PolarHBondContact O-N 3Å; I321-I325 HydrophobicContact CG2-CD1 3.6Å; I321-I325 HydrophobicContact CG2-CG1 4.36Å; I321-I325 VanDerWaalsContact O-CD1 3.27Å; I321-I325 WeakPolarHBondContact O-CD1 3.36Å; I321-I325 WeakPolarHBondContact O-CG1 3.37Å; I321-I325 PolarHBondContact O-N 3.06Å |
| 322 | F | 93.6 | Very high | 88.4 | Confident | 7 Ų | 7 | 48.2 Ų | 48.2 | 3% | 0.031 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -54.7 | -53.7 | 176 | -176.6 | -72.2 | 0 | 0 | 0 | 111.4 | L303 F307 T318 E319 N320 I325 L326 Y473 F478 | L303-F322 HydrophobicContact CD1-CB 4.3Å; L303-F322 HydrophobicContact CD2-CD2 4.36Å; F307-F322 HydrophobicContact CE1-CD2 4.44Å; F307-F322 AromaticContact CZ-CD2 3.96Å; F307-F322 HydrophobicContact CZ-CD2 3.96Å; F307-F322 HydrophobicContact CZ-CE2 4.16Å; T318-F322 WeakPolarHBondContact O-CB 3.42Å; T318-F322 PolarHBondContact O-N 3.38Å; E319-F322 WeakPolarHBondContact O-CB 3.24Å; E319-F322 PolarHBondContact O-N 3.47Å; N320-F322 VanDerWaalsContact C-N 3.34Å; N320-F322 PolarHBondContact O-N 3.19Å; F322-I325 PolarHBondContact O-N 3.48Å; F322-L326 HydrophobicContact CD1-CD1 3.87Å; F322-L326 HydrophobicContact CE1-CD1 3.47Å; F322-L326 VanDerWaalsContact CE1-CD1 3.47Å; F322-L326 HydrophobicContact CE1-CG 4.49Å; F322-L326 HydrophobicContact CZ-CD1 4.38Å; F322-L326 PolarHBondContact O-N 3.42Å; F322-Y473 HydrophobicContact CB-CD1 4.47Å; F322-Y473 HydrophobicContact CD1-CD1 4.15Å; F322-Y473 HydrophobicContact CD1-CE1 4.49Å; F322-Y473 HydrophobicContact CD2-CD1 4.19Å; F322-Y473 HydrophobicContact CE1-CD1 4.43Å; F322-Y473 HydrophobicContact CE2-CD1 4.42Å; F322-Y473 HydrophobicContact CG-CD1 4.06Å; F322-F478 HydrophobicContact CD1-CD2 4.38Å; F322-F478 HydrophobicContact CD2-CB 4.29Å; F322-F478 AromaticContact CD2-CD2 3.7Å; F322-F478 HydrophobicContact CD2-CD2 3.7Å; F322-F478 HydrophobicContact CD2-CG 4.43Å; F322-F478 HydrophobicContact CE1-CD2 4.23Å; F322-F478 HydrophobicContact CE2-CB 3.51Å; F322-F478 AromaticContact CE2-CD2 3.56Å; F322-F478 HydrophobicContact CE2-CD2 3.56Å; F322-F478 HydrophobicContact CE2-CG 4.01Å; F322-F478 HydrophobicContact CG-CD2 4.11Å; F322-F478 HydrophobicContact CZ-CB 3.96Å; F322-F478 AromaticContact CZ-CD2 3.82Å; F322-F478 HydrophobicContact CZ-CD2 3.82Å; F322-F478 HydrophobicContact CZ-CG 4.38Å |
| 323 | H | 91.4 | Very high | 88.3 | Confident | 80 Ų | 80 | 40 Ų | 40 | 37% | 0.37 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -69.3 | -39.4 | -179 | -70.3 | -58 | 0 | 0 | 0 | 112.6 | E319 N320 I325 L326 A327 Y473 | E319-H323 PolarHBondContact O-CD2 3.45Å; E319-H323 PolarHBondContact O-N 3.09Å; N320-H323 PolarHBondContact O-N 3.07Å; H323-I325 VanDerWaalsContact C-N 3.33Å; H323-I325 PolarHBondContact O-N 3.38Å; H323-L326 PolarHBondContact O-N 3.13Å; H323-A327 WeakPolarHBondContact O-CB 3.27Å; H323-A327 PolarHBondContact O-N 3.04Å; H323-Y473 AromaticContact CE1-CE1 3.81Å; H323-Y473 AromaticContact NE2-CE1 3.29Å; H323-Y473 VanDerWaalsContact NE2-CE1 3.29Å; H323-Y473 WeakPolarHBondContact NE2-CE1 3.42Å; H323-Y473 AromaticContact NE2-CZ 3.63Å; H323-Y473 PolarHBondContact NE2-OH 2.9Å; H323-Y473 VanDerWaalsContact NE2-OH 3.16Å |
| 324 | D | 88.4 | Confident | 87.8 | Confident | 76 Ų | 76 | 39 Ų | 39 | 41% | 0.406 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -57.5 | -45.9 | 175.9 | -85.8 | 3.5 | 0 | 0 | 0 | 111.3 | K299 N320 I321 A327 E328 | K299-D324 IonicContact NZ-OD2 3.54Å; N320-D324 VanDerWaalsContact O-CB 3.24Å; N320-D324 WeakPolarHBondContact O-CB 3.47Å; N320-D324 VanDerWaalsContact O-CG 3.26Å; N320-D324 PolarHBondContact O-N 3.15Å; I321-D324 PolarHBondContact O-N 3Å; D324-A327 PolarHBondContact O-N 3.33Å; D324-E328 WeakPolarHBondContact O-CB 3.27Å; D324-E328 VanDerWaalsContact O-CG 3.3Å; D324-E328 WeakPolarHBondContact O-CG 3.35Å; D324-E328 PolarHBondContact O-N 3.49Å |
| 325 | I | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -63.3 | -45.6 | 179.5 | -68.5 | 157 | 0 | 0 | 0 | 110.4 | K299 F300 L303 I321 F322 H323 A327 E328 L329 F478 | K299-I325 HydrophobicContact CB-CD1 4.06Å; K299-I325 HydrophobicContact CB-CG1 3.76Å; F300-I325 HydrophobicContact CB-CD1 4.44Å; F300-I325 HydrophobicContact CB-CG2 4.38Å; L303-I325 HydrophobicContact CB-CD1 3.65Å; L303-I325 HydrophobicContact CD2-CD1 3.68Å; L303-I325 HydrophobicContact CG-CD1 4.24Å; I321-I325 HydrophobicContact CG2-CD1 3.6Å; I321-I325 HydrophobicContact CG2-CG1 4.36Å; I321-I325 VanDerWaalsContact O-CD1 3.27Å; I321-I325 WeakPolarHBondContact O-CD1 3.36Å; I321-I325 WeakPolarHBondContact O-CG1 3.37Å; I321-I325 PolarHBondContact O-N 3.06Å; F322-I325 PolarHBondContact O-N 3.48Å; H323-I325 VanDerWaalsContact C-N 3.33Å; H323-I325 PolarHBondContact O-N 3.38Å; I325-A327 VanDerWaalsContact C-N 3.32Å; I325-A327 PolarHBondContact O-N 3.47Å; I325-E328 PolarHBondContact O-N 3.42Å; I325-L329 HydrophobicContact CG2-CD1 3.85Å; I325-L329 HydrophobicContact CG2-CG 4.14Å; I325-L329 WeakPolarHBondContact O-CB 3.35Å; I325-L329 VanDerWaalsContact O-CG 3.25Å; I325-L329 WeakPolarHBondContact O-CG 3.39Å; I325-L329 PolarHBondContact O-N 2.87Å; I325-F478 HydrophobicContact CB-CE2 4.47Å; I325-F478 HydrophobicContact CG2-CE2 4.18Å; I325-F478 HydrophobicContact CG2-CZ 3.8Å |
| 326 | L | 92.5 | Very high | 85 | Confident | 22 Ų | 22 | 39 Ų | 39 | 12% | 0.115 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -61.6 | -41.5 | 178.4 | -69.9 | 176.6 | 0 | 0 | 0 | 111.8 | F322 H323 L329 H330 F478 V482 | F322-L326 HydrophobicContact CD1-CD1 3.87Å; F322-L326 HydrophobicContact CE1-CD1 3.47Å; F322-L326 VanDerWaalsContact CE1-CD1 3.47Å; F322-L326 HydrophobicContact CE1-CG 4.49Å; F322-L326 HydrophobicContact CZ-CD1 4.38Å; F322-L326 PolarHBondContact O-N 3.42Å; H323-L326 PolarHBondContact O-N 3.13Å; L326-L329 PolarHBondContact O-N 3.07Å; L326-H330 WeakPolarHBondContact O-CB 3.38Å; L326-H330 PolarHBondContact O-N 3.26Å; L326-F478 HydrophobicContact CD2-CD2 4.43Å; L326-F478 HydrophobicContact CD2-CE2 3.92Å; L326-F478 HydrophobicContact CD2-CZ 4.3Å; L326-F478 HydrophobicContact CG-CE2 4.02Å; L326-V482 HydrophobicContact CD2-CG2 3.92Å |
| 327 | A | 88.4 | Confident | 84 | Confident | 42 Ų | 42 | 35.3 Ų | 35.3 | 35% | 0.347 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -65.8 | -40.3 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | H323 D324 I325 S331 | H323-A327 WeakPolarHBondContact O-CB 3.27Å; H323-A327 PolarHBondContact O-N 3.04Å; D324-A327 PolarHBondContact O-N 3.33Å; I325-A327 VanDerWaalsContact C-N 3.32Å; I325-A327 PolarHBondContact O-N 3.47Å; A327-S331 WeakPolarHBondContact O-CB 3.49Å; A327-S331 PolarHBondContact O-N 2.97Å; A327-S331 PolarHBondContact O-OG 2.86Å |
| 328 | E | 87.1 | Confident | 82.8 | Confident | 40 Ų | 40 | 38.6 Ų | 38.6 | 19% | 0.187 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.1 | -41.3 | 176 | -76.5 | 176.8 | -168.6 | 0 | 0 | 112 | F288 T296 K299 D324 I325 S331 S332 | F288-E328 HydrophobicContact CE2-CB 4.22Å; F288-E328 HydrophobicContact CE2-CG 4.44Å; T296-E328 WeakPolarHBondContact CA-OE2 3.31Å; T296-E328 VanDerWaalsContact CB-OE2 3.28Å; T296-E328 WeakPolarHBondContact CB-OE2 3.1Å; T296-E328 HydrophobicContact CG2-CB 3.78Å; T296-E328 WeakPolarHBondContact CG2-OE2 3.4Å; T296-E328 PolarHBondContact OG1-OE2 2.98Å; K299-E328 IonicContact NZ-OE1 3.62Å; K299-E328 PolarHBondContact NZ-OE1 3.42Å; D324-E328 WeakPolarHBondContact O-CB 3.27Å; D324-E328 VanDerWaalsContact O-CG 3.3Å; D324-E328 WeakPolarHBondContact O-CG 3.35Å; D324-E328 PolarHBondContact O-N 3.49Å; I325-E328 PolarHBondContact O-N 3.42Å; E328-S331 PolarHBondContact O-N 3.23Å; E328-S332 WeakPolarHBondContact O-CB 3.39Å; E328-S332 PolarHBondContact O-N 3.17Å; E328-S332 PolarHBondContact O-OG 3.13Å |
| 329 | L | 89.1 | Confident | 81.4 | Confident | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.7 | -49.2 | 174.1 | -75.2 | 176.2 | 0 | 0 | 0 | 110.9 | F293 T296 I325 L326 S331 S332 L333 F382 M385 V482 L485 | F293-L329 HydrophobicContact CE2-CD2 4.4Å; T296-L329 HydrophobicContact CG2-CD2 4.24Å; T296-L329 HydrophobicContact CG2-CG 4.35Å; I325-L329 HydrophobicContact CG2-CD1 3.85Å; I325-L329 HydrophobicContact CG2-CG 4.14Å; I325-L329 WeakPolarHBondContact O-CB 3.35Å; I325-L329 VanDerWaalsContact O-CG 3.25Å; I325-L329 WeakPolarHBondContact O-CG 3.39Å; I325-L329 PolarHBondContact O-N 2.87Å; L326-L329 PolarHBondContact O-N 3.07Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 3.02Å; L329-S332 WeakPolarHBondContact O-CB 3.4Å; L329-S332 PolarHBondContact O-N 2.89Å; L329-L333 WeakPolarHBondContact O-CB 3.41Å; L329-L333 VanDerWaalsContact O-CG 3.22Å; L329-L333 WeakPolarHBondContact O-CG 3.46Å; L329-L333 PolarHBondContact O-N 3.46Å; L329-F382 HydrophobicContact CD2-CD1 3.89Å; L329-F382 HydrophobicContact CD2-CE1 3.65Å; L329-M385 HydrophobicContact CD1-CE 4.09Å; L329-M385 HydrophobicContact CD2-CE 3.76Å; L329-M385 HydrophobicContact CD2-SD 3.81Å; L329-M385 HydrophobicContact CG-CE 4.34Å; L329-V482 HydrophobicContact CD1-CG2 4.46Å; L329-L485 HydrophobicContact CB-CD2 3.77Å |
| 330 | H | 87.3 | Confident | 80.3 | Confident | 44 Ų | 44 | 35.3 Ų | 35.3 | 20% | 0.204 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -57.3 | -45.5 | 175.4 | 177.5 | -93.1 | 0 | 0 | 0 | 111.3 | L326 S332 L333 L334 L485 W1061 | L326-H330 WeakPolarHBondContact O-CB 3.38Å; L326-H330 PolarHBondContact O-N 3.26Å; H330-S332 PolarHBondContact O-N 3.35Å; H330-L333 PolarHBondContact O-N 2.83Å; H330-L334 WeakPolarHBondContact CE1-CD1 3.12Å; H330-L334 VanDerWaalsContact O-CG 3.31Å; H330-L334 WeakPolarHBondContact O-CG 3.3Å; H330-L334 PolarHBondContact O-N 3.24Å; H330-L485 HydrophobicContact CB-CD1 3.73Å; H330-L485 HydrophobicContact CB-CD2 4.37Å; H330-W1061 HydrophobicContact CB-CH2 3.75Å; H330-W1061 HydrophobicContact CB-CZ3 4.22Å; H330-W1061 AromaticContact CD2-CZ3 3.84Å; H330-W1061 AromaticContact CE1-CZ3 3.4Å; H330-W1061 WeakPolarHBondContact CE1-CZ3 3.29Å; H330-W1061 AromaticContact CG-CH2 3.61Å; H330-W1061 AromaticContact CG-CZ3 3.56Å; H330-W1061 AromaticContact ND1-CH2 3.76Å; H330-W1061 AromaticContact ND1-CZ3 3.31Å; H330-W1061 VanDerWaalsContact ND1-CZ3 3.31Å; H330-W1061 WeakPolarHBondContact ND1-CZ3 3.44Å; H330-W1061 AromaticContact NE2-CZ3 3.78Å |
| 331 | S | 82.7 | Confident | 79.4 | Confident | 27 Ų | 27 | 30.9 Ų | 30.9 | 19% | 0.189 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -43 | 177.2 | -58.9 | 0 | 0 | 0 | 0 | 112.3 | A327 E328 L329 L333 L334 L335 | A327-S331 WeakPolarHBondContact O-CB 3.49Å; A327-S331 PolarHBondContact O-N 2.97Å; A327-S331 PolarHBondContact O-OG 2.86Å; E328-S331 PolarHBondContact O-N 3.23Å; L329-S331 VanDerWaalsContact C-N 3.3Å; L329-S331 PolarHBondContact O-N 3.02Å; S331-L333 VanDerWaalsContact C-N 3.31Å; S331-L333 PolarHBondContact O-N 3.33Å; S331-L334 PolarHBondContact O-N 2.88Å; S331-L334 VanDerWaalsContact O-N 3.13Å; S331-L335 WeakPolarHBondContact O-CD1 3.18Å; S331-L335 WeakPolarHBondContact O-CG 3.46Å; S331-L335 PolarHBondContact O-N 3.3Å; S331-L335 VanDerWaalsContact O-N 3.16Å |
| 332 | S | 81.1 | Confident | 78.2 | Confident | 2 Ų | 2 | 33.7 Ų | 33.7 | 1% | 0.014 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.6 | -44.8 | 177 | -56.8 | 0 | 0 | 0 | 0 | 111.2 | F288 E328 L329 H330 L334 | F288-S332 VanDerWaalsContact CE1-OG 3.26Å; F288-S332 WeakPolarHBondContact CE1-OG 3.16Å; F288-S332 WeakPolarHBondContact CE2-OG 2.87Å; F288-S332 WeakPolarHBondContact CZ-OG 3.26Å; E328-S332 WeakPolarHBondContact O-CB 3.39Å; E328-S332 PolarHBondContact O-N 3.17Å; E328-S332 PolarHBondContact O-OG 3.13Å; L329-S332 WeakPolarHBondContact O-CB 3.4Å; L329-S332 PolarHBondContact O-N 2.89Å; H330-S332 PolarHBondContact O-N 3.35Å; S332-L334 VanDerWaalsContact C-N 3.34Å |
| 333 | L | 82.9 | Confident | 76.6 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -67.6 | -34.6 | 177.8 | -68.2 | 171 | 0 | 0 | 0 | 111.2 | L329 H330 S331 T340 F382 L485 Y486 H489 L791 | L329-L333 WeakPolarHBondContact O-CB 3.41Å; L329-L333 VanDerWaalsContact O-CG 3.22Å; L329-L333 WeakPolarHBondContact O-CG 3.46Å; L329-L333 PolarHBondContact O-N 3.46Å; H330-L333 PolarHBondContact O-N 2.83Å; S331-L333 VanDerWaalsContact C-N 3.31Å; S331-L333 PolarHBondContact O-N 3.33Å; L333-T340 HydrophobicContact CD2-CG2 3.45Å; L333-T340 VanDerWaalsContact CD2-CG2 3.45Å; L333-F382 HydrophobicContact CD2-CD1 4.1Å; L333-F382 HydrophobicContact CD2-CD2 4Å; L333-F382 HydrophobicContact CD2-CE1 3.84Å; L333-F382 HydrophobicContact CD2-CE2 3.74Å; L333-F382 HydrophobicContact CD2-CG 4.18Å; L333-F382 HydrophobicContact CD2-CZ 3.66Å; L333-F382 HydrophobicContact CG-CE1 3.99Å; L333-F382 HydrophobicContact CG-CZ 4.07Å; L333-L485 HydrophobicContact CD1-CD1 4.44Å; L333-L485 HydrophobicContact CD1-CD2 4.2Å; L333-L485 HydrophobicContact CD1-CG 4.03Å; L333-Y486 HydrophobicContact CD1-CD1 3.99Å; L333-Y486 HydrophobicContact CD1-CE1 4.1Å; L333-H489 VanDerWaalsContact C-NE2 3.3Å; L333-H489 HydrophobicContact CD1-CB 4.39Å; L333-H489 PolarHBondContact O-CE1 3.39Å; L333-H489 PolarHBondContact O-NE2 3.44Å; L333-L791 HydrophobicContact CD2-CD1 3.75Å |
| 334 | L | 77.8 | Confident | 74.8 | Confident | 42 Ų | 42 | 38.5 Ų | 38.5 | 22% | 0.22 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74.9 | -30.8 | -177.7 | -76.9 | -171.8 | 0 | 0 | 0 | 115.5 | A285 H330 S331 S332 T336 R492 | A285-L334 HydrophobicContact CB-CB 3.96Å; A285-L334 HydrophobicContact CB-CD1 3.77Å; H330-L334 WeakPolarHBondContact CE1-CD1 3.12Å; H330-L334 VanDerWaalsContact O-CG 3.31Å; H330-L334 WeakPolarHBondContact O-CG 3.3Å; H330-L334 PolarHBondContact O-N 3.24Å; S331-L334 PolarHBondContact O-N 2.88Å; S331-L334 VanDerWaalsContact O-N 3.13Å; S332-L334 VanDerWaalsContact C-N 3.34Å; L334-T336 VanDerWaalsContact C-N 3.3Å; L334-T336 PolarHBondContact O-N 3.46Å; L334-R492 VanDerWaalsContact CD2-NH1 3.26Å |
| 335 | L | 65.5 | Low | 72.7 | Confident | 48 Ų | 48 | 39.6 Ų | 39.6 | 25% | 0.251 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -57.1 | -42.5 | -171.2 | -81.4 | 146.3 | 0 | 0 | 0 | 113.5 | A285 F288 S331 | A285-L335 WeakPolarHBondContact O-CD2 3.47Å; A285-L335 WeakPolarHBondContact O-CG 3.23Å; F288-L335 HydrophobicContact CB-CD1 3.29Å; F288-L335 HydrophobicContact CB-CD2 4.06Å; F288-L335 HydrophobicContact CB-CG 4.03Å; F288-L335 HydrophobicContact CD1-CD1 3.14Å; F288-L335 HydrophobicContact CE1-CD1 4.14Å; F288-L335 HydrophobicContact CG-CD1 3.45Å; F288-L335 VanDerWaalsContact CG-CD1 3.45Å; F288-L335 WeakPolarHBondContact O-CD1 3.42Å; F288-L335 WeakPolarHBondContact O-CD2 3.2Å; S331-L335 WeakPolarHBondContact O-CD1 3.18Å; S331-L335 WeakPolarHBondContact O-CG 3.46Å; S331-L335 PolarHBondContact O-N 3.3Å; S331-L335 VanDerWaalsContact O-N 3.16Å |
| 336 | T | 56.6 | Low | 69.7 | Low | 39 Ų | 39 | 46 Ų | 46 | 24% | 0.239 | 25% | 0.253 | C | S | . | . | trans | -157.8 | 98.7 | -161.4 | 35.3 | 0 | 0 | 0 | 0 | 108.9 | L334 H338 L339 | L334-T336 VanDerWaalsContact C-N 3.3Å; L334-T336 PolarHBondContact O-N 3.46Å; T336-H338 WeakPolarHBondContact CB-CE1 3.47Å; T336-H338 WeakPolarHBondContact CB-ND1 3.46Å; T336-H338 WeakPolarHBondContact CB-NE2 3.45Å; T336-H338 WeakPolarHBondContact CG2-CE1 3.49Å; T336-H338 PolarHBondContact O-N 2.75Å; T336-L339 WeakPolarHBondContact O-CB 3.34Å; T336-L339 PolarHBondContact O-N 3.13Å; T336-L339 WeakPolarHBondContact OG1-CD1 3.27Å; T336-L339 WeakPolarHBondContact OG1-CG 3.47Å | ||
| 337 | D | 64.3 | Low | 66.6 | Low | 47 Ų | 47 | 50.7 Ų | 50.7 | 25% | 0.251 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -53.4 | -23.9 | 178.1 | -66 | -26.1 | 0 | 0 | 0 | 112 | L339 T340 V341 R492 | D337-L339 VanDerWaalsContact C-N 3.34Å; D337-L339 PolarHBondContact O-N 3.38Å; D337-T340 PolarHBondContact O-N 3.32Å; D337-T340 PolarHBondContact O-OG1 3.01Å; D337-V341 WeakPolarHBondContact O-CB 3.2Å; D337-V341 VanDerWaalsContact O-CG2 3.25Å; D337-V341 WeakPolarHBondContact O-CG2 3.46Å; D337-V341 PolarHBondContact O-N 3.43Å; D337-R492 IonicContact OD1-NH1 3.54Å; D337-R492 PolarHBondContact OD1-NH1 3.26Å |
| 338 | H | 61 | Low | 63.7 | Low | 102 Ų | 102 | 56.2 Ų | 56.2 | 47% | 0.472 | 30% | 0.301 | S | S | . | . | G | 310 helix | trans | -65.4 | -24.4 | 175.2 | 64.9 | -114.3 | 0 | 0 | 0 | 115.2 | T336 T340 V341 | T336-H338 WeakPolarHBondContact CB-CE1 3.47Å; T336-H338 WeakPolarHBondContact CB-ND1 3.46Å; T336-H338 WeakPolarHBondContact CB-NE2 3.45Å; T336-H338 WeakPolarHBondContact CG2-CE1 3.49Å; T336-H338 PolarHBondContact O-N 2.75Å; H338-T340 PolarHBondContact O-N 2.94Å; H338-V341 VanDerWaalsContact O-O 3.04Å |
| 339 | L | 59.6 | Low | 60.8 | Low | 14 Ų | 14 | 58.9 Ų | 58.9 | 7% | 0.073 | 32% | 0.324 | C | S | . | . | G | 310 helix | trans | -70 | -16.5 | 176.6 | -72.5 | -174.3 | 0 | 0 | 0 | 112.9 | T336 D337 D375 T378 G379 | T336-L339 WeakPolarHBondContact O-CB 3.34Å; T336-L339 PolarHBondContact O-N 3.13Å; T336-L339 WeakPolarHBondContact OG1-CD1 3.27Å; T336-L339 WeakPolarHBondContact OG1-CG 3.47Å; D337-L339 VanDerWaalsContact C-N 3.34Å; D337-L339 PolarHBondContact O-N 3.38Å; L339-D375 HydrophobicContact CD2-CB 3.87Å; L339-D375 WeakPolarHBondContact CD2-O 3.34Å; L339-T378 WeakPolarHBondContact CA-OG1 3.22Å; L339-T378 VanDerWaalsContact CB-OG1 3.22Å; L339-T378 WeakPolarHBondContact CB-OG1 3.01Å; L339-T378 HydrophobicContact CD1-CG2 4.46Å; L339-T378 HydrophobicContact CD2-CG2 4.15Å; L339-T378 WeakPolarHBondContact CD2-OG1 3.36Å; L339-T378 PolarHBondContact O-OG1 3.13Å; L339-G379 PolarHBondContact O-N 2.91Å |
| 340 | T | 66.5 | Low | 57.8 | Low | 0 Ų | 0 | 63.7 Ų | 63.7 | 0% | 0 | 35% | 0.346 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -125.9 | -4.3 | -169.7 | 41.7 | 0 | 0 | 0 | 0 | 112.2 | L333 D337 H338 F382 H489 Q493 Y790 L791 | L333-T340 HydrophobicContact CD2-CG2 3.45Å; L333-T340 VanDerWaalsContact CD2-CG2 3.45Å; D337-T340 PolarHBondContact O-N 3.32Å; D337-T340 PolarHBondContact O-OG1 3.01Å; H338-T340 PolarHBondContact O-N 2.94Å; T340-F382 HydrophobicContact CG2-CE2 4.29Å; T340-H489 PolarHBondContact OG1-CE1 2.75Å; T340-Q493 VanDerWaalsContact CB-NE2 3.3Å; T340-Q493 PolarHBondContact OG1-NE2 3.36Å; T340-Y790 PolarHBondContact O-N 2.75Å; T340-L791 HydrophobicContact CG2-CD1 4.44Å |
| 341 | V | 68.6 | Low | 55 | Low | 8 Ų | 8 | 70 Ų | 70 | 5% | 0.048 | 38% | 0.376 | C | S | . | . | B | Isolated β-bridge | trans | -122.7 | 122.1 | 176.2 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | D337 H338 S343 Q493 R497 R788 L789 | D337-V341 WeakPolarHBondContact O-CB 3.2Å; D337-V341 VanDerWaalsContact O-CG2 3.25Å; D337-V341 WeakPolarHBondContact O-CG2 3.46Å; D337-V341 PolarHBondContact O-N 3.43Å; H338-V341 VanDerWaalsContact O-O 3.04Å; V341-S343 PolarHBondContact O-N 3.15Å; V341-Q493 VanDerWaalsContact CG2-NE2 3.27Å; V341-R497 VanDerWaalsContact CG2-NH2 3.26Å; V341-R788 CarbonylContact C-O 3.58Å; V341-R788 VanDerWaalsContact CA-O 3.24Å; V341-R788 WeakPolarHBondContact CA-O 3.46Å; V341-R788 HydrophobicContact CG1-CB 3.7Å; V341-L789 HydrophobicContact CG2-CD2 3.97Å |
| 342 | K | 66.3 | Low | 52.4 | Low | 66 Ų | 66 | 72.8 Ų | 72.8 | 29% | 0.287 | 39% | 0.392 | S | S | . | . | trans | -57.4 | 135 | 173.6 | -168.3 | 176.2 | -176.7 | -175.5 | 0 | 109.5 | R788 Y790 E1000 | K342-R788 HydrophobicContact CB-CB 4.12Å; K342-R788 HydrophobicContact CB-CG 4.29Å; K342-R788 PolarHBondContact N-O 3.39Å; K342-R788 WeakPolarHBondContact O-CD 3.11Å; K342-Y790 HydrophobicContact CB-CE1 4.29Å; K342-Y790 HydrophobicContact CB-CE2 4.15Å; K342-E1000 IonicContact NZ-OE1 2.69Å; K342-E1000 PolarHBondContact NZ-OE1 3.38Å | ||
| 343 | S | 59.8 | Low | 49.8 | Very low | 60 Ų | 60 | 80.8 Ų | 80.8 | 42% | 0.42 | 43% | 0.434 | S | S | . | . | trans | -57 | 143.6 | 179.9 | -48 | 0 | 0 | 0 | 0 | 111.2 | V341 S345 Q376 | V341-S343 PolarHBondContact O-N 3.15Å; S343-S345 PolarHBondContact O-N 3.46Å; S343-S345 VanDerWaalsContact O-N 3.11Å; S343-Q376 PolarHBondContact OG-NE2 3.15Å | ||
| 344 | E | 53.8 | Low | 47.1 | Very low | 128 Ų | 128 | 86.6 Ų | 86.6 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | trans | -64.5 | 113.4 | 165.8 | -74.8 | 170 | -165.6 | 0 | 0 | 107 | I346 R788 | E344-I346 PolarHBondContact O-N 3.37Å; E344-R788 IonicContact OE1-CZ 3.87Å; E344-R788 VanDerWaalsContact OE1-CZ 3.27Å; E344-R788 IonicContact OE1-NH1 3.8Å; E344-R788 PolarHBondContact OE1-NH1 3.25Å; E344-R788 IonicContact OE1-NH2 2.83Å; E344-R788 PolarHBondContact OE1-NH2 3.35Å | ||
| 345 | S | 43.7 | Very low | 44.8 | Very low | 100 Ų | 100 | 93.4 Ų | 93.4 | 70% | 0.699 | 50% | 0.498 | S | S | * | . | trans | -60.4 | 106.5 | 165 | 53.2 | 0 | 0 | 0 | 0 | 106 | S343 T347 | S343-S345 PolarHBondContact O-N 3.46Å; S343-S345 VanDerWaalsContact O-N 3.11Å; S345-T347 PolarHBondContact O-N 3.11Å | ||
| 346 | I | 29.3 | Very low | 43 | Very low | 135 Ų | 135 | 101.9 Ų | 101.9 | 69% | 0.692 | 53% | 0.528 | S | S | * | . | trans | -62.8 | 89.2 | 172.2 | -59.4 | 170.4 | 0 | 0 | 0 | 105.9 | E344 H348 | E344-I346 PolarHBondContact O-N 3.37Å; I346-H348 VanDerWaalsContact C-N 3.27Å; I346-H348 PolarHBondContact O-N 2.96Å | ||
| 347 | T | 28.2 | Very low | 41.8 | Very low | 120 Ų | 120 | 108.4 Ų | 108.4 | 74% | 0.736 | 56% | 0.56 | S | S | * | * | trans | -66.8 | 99.9 | 156.6 | 50.4 | 0 | 0 | 0 | 0 | 103.8 | S345 S349 | S345-T347 PolarHBondContact O-N 3.11Å; T347-S349 VanDerWaalsContact C-N 3.3Å; T347-S349 PolarHBondContact O-N 3.29Å | ||
| 348 | H | 26.5 | Very low | 40 | Very low | 158 Ų | 158 | 115.5 Ų | 115.5 | 73% | 0.731 | 59% | 0.589 | S | S | * | * | trans | -53.8 | 97.8 | 174 | -78.4 | -70.6 | 0 | 0 | 0 | 108.3 | I346 E350 | I346-H348 VanDerWaalsContact C-N 3.27Å; I346-H348 PolarHBondContact O-N 2.96Å; H348-E350 VanDerWaalsContact C-N 3.32Å; H348-E350 PolarHBondContact O-N 2.94Å | ||
| 349 | S | 26.6 | Very low | 38.5 | Very low | 96 Ų | 96 | 117.5 Ų | 117.5 | 67% | 0.671 | 61% | 0.609 | S | S | * | * | trans | -71.2 | 98.4 | 164.3 | 64.4 | 0 | 0 | 0 | 0 | 105.6 | T347 H351 | T347-S349 VanDerWaalsContact C-N 3.3Å; T347-S349 PolarHBondContact O-N 3.29Å; S349-H351 PolarHBondContact O-N 3.33Å | ||
| 350 | E | 25.1 | Very low | 37 | Very low | 100 Ų | 100 | 120.2 Ų | 120.2 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | trans | -62.5 | 82.6 | 171.2 | -70.4 | -169.8 | 149.9 | 0 | 0 | 109.6 | H348 T352 | H348-E350 VanDerWaalsContact C-N 3.32Å; H348-E350 PolarHBondContact O-N 2.94Å; E350-T352 PolarHBondContact O-N 2.99Å | ||
| 351 | H | 29.5 | Very low | 35.2 | Very low | 177 Ų | 177 | 128.8 Ų | 128.8 | 82% | 0.819 | 68% | 0.68 | S | S | * | * | trans | -84.7 | 93.1 | 154.9 | -80.6 | -30.2 | 0 | 0 | 0 | 107.9 | S349 N353 | S349-H351 PolarHBondContact O-N 3.33Å; H351-N353 PolarHBondContact O-N 3.46Å; H351-N353 VanDerWaalsContact O-N 3.17Å | ||
| 352 | T | 27 | Very low | 33.5 | Very low | 86 Ų | 86 | 135.2 Ų | 135.2 | 53% | 0.528 | 72% | 0.719 | S | S | . | * | trans | -54.9 | 106.8 | 170.7 | 43.2 | 0 | 0 | 0 | 0 | 110.5 | E350 | E350-T352 PolarHBondContact O-N 2.99Š| ||
| 353 | N | 27.5 | Very low | 31.7 | Very low | 169 Ų | 169 | 140.3 Ų | 140.3 | 90% | 0.904 | 74% | 0.743 | S | S | * | * | trans | -124 | 77.3 | 154.1 | -109.1 | -25.8 | 0 | 0 | 0 | 108.5 | H351 K355 | H351-N353 PolarHBondContact O-N 3.46Å; H351-N353 VanDerWaalsContact O-N 3.17Å; N353-K355 PolarHBondContact O-N 2.88Å | ||
| 354 | T | 26.7 | Very low | 30.3 | Very low | 124 Ų | 124 | 146.5 Ų | 146.5 | 76% | 0.761 | 77% | 0.766 | S | S | * | * | trans | -82.1 | 96.2 | 175.1 | 33.1 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 355 | K | 28.3 | Very low | 29.1 | Very low | 185 Ų | 185 | 148.2 Ų | 148.2 | 80% | 0.804 | 77% | 0.774 | S | S | * | * | trans | -136.7 | 106.4 | 155.6 | -89.2 | -175 | 179.9 | 172.2 | 0 | 111.8 | N353 | N353-K355 PolarHBondContact O-N 2.88Š| ||
| 356 | Y | 28.4 | Very low | 28.3 | Very low | 225 Ų | 225 | 152.9 Ų | 152.9 | 88% | 0.882 | 78% | 0.781 | S | S | * | * | trans | 21.7 | 101 | 149 | -65.4 | -89.8 | 0 | 0 | 0 | 118.3 | ||||
| 357 | L | 30.4 | Very low | 28.5 | Very low | 176 Ų | 176 | 151 Ų | 151 | 92% | 0.921 | 79% | 0.786 | S | S | * | * | trans | -109.2 | 118.2 | 151 | -120.6 | 90.6 | 0 | 0 | 0 | 109.6 | ||||
| 358 | K | 28.3 | Very low | 28.8 | Very low | 196 Ų | 196 | 152.5 Ų | 152.5 | 85% | 0.852 | 79% | 0.79 | S | S | * | * | trans | -72 | 134.3 | 174.3 | -82.8 | 174.9 | 173.7 | 173.9 | 0 | 110.3 | ||||
| 359 | T | 28.7 | Very low | 29 | Very low | 145 Ų | 145 | 155.5 Ų | 155.5 | 89% | 0.89 | 80% | 0.795 | S | S | * | * | trans | -13.2 | 114.4 | 157.9 | 50.3 | 0 | 0 | 0 | 0 | 117.1 | ||||
| 360 | G | 28.2 | Very low | 29.4 | Very low | 70 Ų | 70 | 156.1 Ų | 156.1 | 72% | 0.722 | 79% | 0.794 | S | S | * | * | trans | -161.8 | 106.2 | 163.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 361 | E | 28.6 | Very low | 29.7 | Very low | 181 Ų | 181 | 158.8 Ų | 158.8 | 85% | 0.846 | 81% | 0.807 | S | S | * | * | trans | 26.5 | 96.8 | 162.9 | -66.3 | 178.2 | 157.6 | 0 | 0 | 119.3 | H363 | E361-H363 PolarHBondContact O-N 3.1Š| ||
| 362 | V | 32 | Very low | 29.7 | Very low | 143 Ų | 143 | 156.5 Ų | 156.5 | 87% | 0.867 | 80% | 0.796 | S | S | * | * | trans | -78.7 | 102.7 | 169.7 | 177.2 | 0 | 0 | 0 | 0 | 109.4 | Q364 | V362-Q364 PolarHBondContact O-N 3.48Š| ||
| 363 | H | 29.1 | Very low | 29.9 | Very low | 173 Ų | 173 | 157.7 Ų | 157.7 | 80% | 0.801 | 80% | 0.803 | S | S | * | * | trans | -63.9 | 128.4 | 161.6 | -84.1 | -77.1 | 0 | 0 | 0 | 109.9 | E361 E365 | E361-H363 PolarHBondContact O-N 3.1Å; H363-E365 PolarHBondContact O-N 2.66Å | ||
| 364 | Q | 29.8 | Very low | 30.2 | Very low | 190 Ų | 190 | 151.9 Ų | 151.9 | 89% | 0.888 | 78% | 0.776 | S | S | * | * | trans | -80.3 | 77.7 | -169.3 | -155 | 167.1 | 21 | 0 | 0 | 110.2 | V362 K366 | V362-Q364 PolarHBondContact O-N 3.48Å; Q364-K366 PolarHBondContact O-N 2.6Å | ||
| 365 | E | 29.5 | Very low | 30.7 | Very low | 163 Ų | 163 | 148.5 Ų | 148.5 | 76% | 0.762 | 75% | 0.753 | S | S | * | * | trans | -74.4 | 119.3 | 171.7 | -131.6 | 172.7 | -168.9 | 0 | 0 | 109.1 | H363 A367 | H363-E365 PolarHBondContact O-N 2.66Å; E365-A367 PolarHBondContact O-N 3.48Å; E365-A367 VanDerWaalsContact O-N 3.16Å | ||
| 366 | K | 27.7 | Very low | 31.5 | Very low | 198 Ų | 198 | 143.5 Ų | 143.5 | 86% | 0.861 | 73% | 0.733 | S | S | * | * | trans | -62 | 113.3 | -179.8 | -81.3 | 174.2 | 174.4 | 173.6 | 0 | 109.1 | Q364 D368 | Q364-K366 PolarHBondContact O-N 2.6Å; K366-D368 PolarHBondContact O-N 2.88Å; K366-D368 VanDerWaalsContact O-N 3.16Å | ||
| 367 | A | 33.4 | Very low | 32.7 | Very low | 97 Ų | 97 | 135.2 Ų | 135.2 | 80% | 0.802 | 70% | 0.703 | S | S | * | * | trans | -66.7 | 109.1 | 170.5 | 0 | 0 | 0 | 0 | 0 | 109.7 | E365 R369 | E365-A367 PolarHBondContact O-N 3.48Å; E365-A367 VanDerWaalsContact O-N 3.16Å; A367-R369 PolarHBondContact O-N 2.84Å | ||
| 368 | D | 34.7 | Very low | 34.4 | Very low | 150 Ų | 150 | 127.7 Ų | 127.7 | 80% | 0.802 | 67% | 0.665 | S | S | * | * | trans | -61.3 | 128.5 | 168.7 | -79.7 | -33.2 | 0 | 0 | 0 | 109.5 | K366 V370 | K366-D368 PolarHBondContact O-N 2.88Å; K366-D368 VanDerWaalsContact O-N 3.16Å; D368-V370 PolarHBondContact O-N 3.44Å | ||
| 369 | R | 30.4 | Very low | 36.7 | Very low | 222 Ų | 222 | 118.4 Ų | 118.4 | 84% | 0.838 | 62% | 0.624 | S | S | * | * | trans | -63.2 | 111.4 | 179.2 | -72.1 | 176.5 | 177.7 | -179 | 0.7 | 109.2 | A367 E371 | A367-R369 PolarHBondContact O-N 2.84Å; R369-E371 PolarHBondContact O-N 3.3Å | ||
| 370 | V | 33.8 | Very low | 39.2 | Very low | 108 Ų | 108 | 112.4 Ų | 112.4 | 66% | 0.655 | 59% | 0.588 | S | S | * | * | trans | -79.9 | 113.1 | 169.6 | -173.1 | 0 | 0 | 0 | 0 | 108.3 | D368 E372 | D368-V370 PolarHBondContact O-N 3.44Å; V370-E372 HydrophobicContact CG1-CB 3.93Å; V370-E372 HydrophobicContact CG1-CG 3.6Å; V370-E372 PolarHBondContact O-N 3.35Å | ||
| 371 | E | 31.2 | Very low | 42.1 | Very low | 157 Ų | 157 | 110.3 Ų | 110.3 | 73% | 0.734 | 56% | 0.56 | S | S | * | * | trans | -69.3 | 42.8 | 174.2 | -73.4 | 179.7 | 143 | 0 | 0 | 112.7 | R369 T373 S374 | R369-E371 PolarHBondContact O-N 3.3Å; E371-T373 VanDerWaalsContact C-N 3.28Å; E371-T373 PolarHBondContact O-N 2.92Å; E371-T373 VanDerWaalsContact O-N 3.16Å; E371-S374 PolarHBondContact O-N 3.44Å | ||
| 372 | E | 30.7 | Very low | 45 | Very low | 129 Ų | 129 | 101.8 Ų | 101.8 | 60% | 0.603 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -66.9 | -19.9 | -166.8 | -119.3 | 167.4 | -153.9 | 0 | 0 | 114.9 | V370 | V370-E372 HydrophobicContact CG1-CB 3.93Å; V370-E372 HydrophobicContact CG1-CG 3.6Å; V370-E372 PolarHBondContact O-N 3.35Å |
| 373 | T | 29.9 | Very low | 47.8 | Very low | 111 Ų | 111 | 96.1 Ų | 96.1 | 68% | 0.681 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -82.5 | -25 | -177.1 | 56.5 | 0 | 0 | 0 | 0 | 113.9 | E371 | E371-T373 VanDerWaalsContact C-N 3.28Å; E371-T373 PolarHBondContact O-N 2.92Å; E371-T373 VanDerWaalsContact O-N 3.16Å |
| 374 | S | 35.2 | Very low | 50.8 | Low | 47 Ų | 47 | 88.8 Ų | 88.8 | 33% | 0.329 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -76 | -42.4 | -178.6 | 159.7 | 0 | 0 | 0 | 0 | 111.8 | E371 Q376 L377 | E371-S374 PolarHBondContact O-N 3.44Å; S374-Q376 VanDerWaalsContact C-N 3.26Å; S374-Q376 PolarHBondContact O-N 2.66Å; S374-L377 PolarHBondContact O-N 3.24Å |
| 375 | D | 36.6 | Very low | 54 | Low | 52 Ų | 52 | 79.8 Ų | 79.8 | 28% | 0.278 | 41% | 0.408 | S | S | . | . | H | α-helix | trans | -68.2 | -24.5 | -173.4 | -68.9 | -21.5 | 0 | 0 | 0 | 112.5 | L339 L377 T378 | L339-D375 HydrophobicContact CD2-CB 3.87Å; L339-D375 WeakPolarHBondContact CD2-O 3.34Å; D375-L377 PolarHBondContact O-N 3.44Å; D375-L377 VanDerWaalsContact O-N 3.16Å; D375-T378 PolarHBondContact O-OG1 3.47Å |
| 376 | Q | 46 | Very low | 57.1 | Low | 81 Ų | 81 | 72 Ų | 72 | 38% | 0.379 | 37% | 0.372 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.4 | -6.4 | -179.4 | -66.6 | 177.6 | 7.7 | 0 | 0 | 114.6 | S343 S374 | S343-Q376 PolarHBondContact OG-NE2 3.15Å; S374-Q376 VanDerWaalsContact C-N 3.26Å; S374-Q376 PolarHBondContact O-N 2.66Å |
| 377 | L | 52.3 | Low | 60.3 | Low | 50 Ų | 50 | 62.7 Ų | 62.7 | 26% | 0.262 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | -4 | -172 | -68.7 | 163.9 | 0 | 0 | 0 | 114.8 | S374 D375 S628 | S374-L377 PolarHBondContact O-N 3.24Å; D375-L377 PolarHBondContact O-N 3.44Å; D375-L377 VanDerWaalsContact O-N 3.16Å; L377-S628 VanDerWaalsContact CD2-CB 3.48Å; L377-S628 VanDerWaalsContact CD2-O 3.27Å; L377-S628 WeakPolarHBondContact CD2-O 3.37Å |
| 378 | T | 66.7 | Low | 63.4 | Low | 19 Ų | 19 | 58.1 Ų | 58.1 | 12% | 0.117 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -76.2 | -36.2 | -174.1 | 45.5 | 0 | 0 | 0 | 0 | 114 | F293 L339 D375 I381 F382 | F293-T378 HydrophobicContact CD1-CG2 4.21Å; F293-T378 HydrophobicContact CE1-CG2 4.11Å; L339-T378 WeakPolarHBondContact CA-OG1 3.22Å; L339-T378 VanDerWaalsContact CB-OG1 3.22Å; L339-T378 WeakPolarHBondContact CB-OG1 3.01Å; L339-T378 HydrophobicContact CD1-CG2 4.46Å; L339-T378 HydrophobicContact CD2-CG2 4.15Å; L339-T378 WeakPolarHBondContact CD2-OG1 3.36Å; L339-T378 PolarHBondContact O-OG1 3.13Å; D375-T378 PolarHBondContact O-OG1 3.47Å; T378-I381 WeakPolarHBondContact O-CB 3.45Å; T378-I381 PolarHBondContact O-N 2.97Å; T378-F382 WeakPolarHBondContact O-CD2 3.41Å; T378-F382 PolarHBondContact O-N 3.18Å |
| 379 | G | 76.9 | Confident | 66.4 | Low | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -49.2 | -56.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | L339 I381 F382 I383 | L339-G379 PolarHBondContact O-N 2.91Å; G379-I381 VanDerWaalsContact C-N 3.26Å; G379-I381 PolarHBondContact O-N 2.81Å; G379-F382 WeakPolarHBondContact O-CB 3.29Å; G379-F382 PolarHBondContact O-N 3.47Å; G379-F382 VanDerWaalsContact O-N 3.16Å; G379-I383 PolarHBondContact O-N 3.47Å |
| 380 | P | 81.4 | Confident | 69.5 | Low | 20 Ų | 20 | 40.5 Ų | 40.5 | 13% | 0.13 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -64.1 | -24.8 | 179.5 | -20.9 | 31.3 | 0 | 0 | 0 | 115 | I383 R384 L631 | P380-I383 PolarHBondContact O-N 3.42Å; P380-R384 WeakPolarHBondContact O-CB 3.37Å; P380-R384 PolarHBondContact O-N 3.34Å; P380-L631 HydrophobicContact CB-CB 4.15Å; P380-L631 HydrophobicContact CB-CD1 3.33Å; P380-L631 HydrophobicContact CB-CG 4.32Å; P380-L631 HydrophobicContact CG-CB 4.3Å; P380-L631 HydrophobicContact CG-CD1 4.34Å |
| 381 | I | 87.6 | Confident | 72.5 | Confident | 26 Ų | 26 | 35.3 Ų | 35.3 | 13% | 0.133 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.8 | -41.8 | 175.5 | -64.3 | 171.7 | 0 | 0 | 0 | 110.1 | L234 F293 I297 T378 G379 I383 R384 M385 | L234-I381 HydrophobicContact CD2-CG2 3.75Å; F293-I381 HydrophobicContact CE1-CB 4.09Å; F293-I381 HydrophobicContact CE1-CD1 3.89Å; F293-I381 HydrophobicContact CE1-CG2 3.68Å; F293-I381 HydrophobicContact CZ-CB 4.27Å; F293-I381 HydrophobicContact CZ-CG2 3.72Å; I297-I381 HydrophobicContact CD1-CD1 4.48Å; I297-I381 HydrophobicContact CD1-CG2 4.1Å; I297-I381 HydrophobicContact CG1-CG2 4.33Å; T378-I381 WeakPolarHBondContact O-CB 3.45Å; T378-I381 PolarHBondContact O-N 2.97Å; G379-I381 VanDerWaalsContact C-N 3.26Å; G379-I381 PolarHBondContact O-N 2.81Å; I381-I383 PolarHBondContact O-N 3.05Å; I381-R384 VanDerWaalsContact O-CB 3.31Å; I381-R384 WeakPolarHBondContact O-CB 3.49Å; I381-R384 PolarHBondContact O-N 2.98Å; I381-R384 VanDerWaalsContact O-N 3.13Å; I381-M385 HydrophobicContact CG2-SD 4.33Å; I381-M385 WeakPolarHBondContact O-CG 3.37Å; I381-M385 PolarHBondContact O-N 3.3Å |
| 382 | F | 90.8 | Very high | 75.6 | Confident | 1 Ų | 1 | 27.9 Ų | 27.9 | 0% | 0.004 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.5 | -45.2 | 176.5 | -68.2 | -67.9 | 0 | 0 | 0 | 111.8 | F293 L329 L333 T340 T378 G379 R384 M385 L386 Y486 L791 | F293-F382 HydrophobicContact CE2-CD1 4.5Å; F293-F382 AromaticContact CE2-CE1 3.66Å; F293-F382 HydrophobicContact CE2-CE1 3.66Å; F293-F382 AromaticContact CE2-CZ 3.73Å; F293-F382 HydrophobicContact CE2-CZ 3.73Å; F293-F382 HydrophobicContact CZ-CD1 4.4Å; F293-F382 AromaticContact CZ-CE1 3.89Å; F293-F382 HydrophobicContact CZ-CE1 3.89Å; F293-F382 HydrophobicContact CZ-CE2 4.34Å; F293-F382 AromaticContact CZ-CZ 3.85Å; F293-F382 HydrophobicContact CZ-CZ 3.85Å; L329-F382 HydrophobicContact CD2-CD1 3.89Å; L329-F382 HydrophobicContact CD2-CE1 3.65Å; L333-F382 HydrophobicContact CD2-CD1 4.1Å; L333-F382 HydrophobicContact CD2-CD2 4Å; L333-F382 HydrophobicContact CD2-CE1 3.84Å; L333-F382 HydrophobicContact CD2-CE2 3.74Å; L333-F382 HydrophobicContact CD2-CG 4.18Å; L333-F382 HydrophobicContact CD2-CZ 3.66Å; L333-F382 HydrophobicContact CG-CE1 3.99Å; L333-F382 HydrophobicContact CG-CZ 4.07Å; T340-F382 HydrophobicContact CG2-CE2 4.29Å; T378-F382 WeakPolarHBondContact O-CD2 3.41Å; T378-F382 PolarHBondContact O-N 3.18Å; G379-F382 WeakPolarHBondContact O-CB 3.29Å; G379-F382 PolarHBondContact O-N 3.47Å; G379-F382 VanDerWaalsContact O-N 3.16Å; F382-R384 VanDerWaalsContact C-N 3.26Å; F382-R384 PolarHBondContact O-N 3.35Å; F382-M385 PolarHBondContact O-N 3.16Å; F382-M385 VanDerWaalsContact O-N 3.15Å; F382-L386 PolarHBondContact O-N 3.07Å; F382-L386 VanDerWaalsContact O-N 3.13Å; F382-Y486 VanDerWaalsContact C-OH 3.28Å; F382-Y486 VanDerWaalsContact CA-OH 3.27Å; F382-Y486 WeakPolarHBondContact CA-OH 3.27Å; F382-Y486 HydrophobicContact CB-CE1 4.35Å; F382-Y486 HydrophobicContact CB-CE2 4Å; F382-Y486 WeakPolarHBondContact CB-OH 3.49Å; F382-Y486 HydrophobicContact CD1-CE1 4.19Å; F382-Y486 VanDerWaalsContact O-CE2 3.25Å; F382-Y486 WeakPolarHBondContact O-CE2 3.29Å; F382-Y486 PolarHBondContact O-OH 3.04Å; F382-L791 HydrophobicContact CB-CD2 3.73Å; F382-L791 HydrophobicContact CG-CD2 4.49Å |
| 383 | I | 90.3 | Very high | 78.6 | Confident | 24 Ų | 24 | 22.7 Ų | 22.7 | 12% | 0.123 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -57.6 | -43.8 | 174.8 | -45.7 | -169.6 | 0 | 0 | 0 | 110.1 | G379 P380 I381 M385 L386 L387 Y790 S794 L973 | G379-I383 PolarHBondContact O-N 3.47Å; P380-I383 PolarHBondContact O-N 3.42Å; I381-I383 PolarHBondContact O-N 3.05Å; I383-M385 VanDerWaalsContact C-N 3.33Å; I383-M385 PolarHBondContact O-N 2.89Å; I383-L386 PolarHBondContact O-N 3.26Å; I383-L387 HydrophobicContact CG2-CD1 4.09Å; I383-L387 WeakPolarHBondContact O-CG 3.42Å; I383-L387 PolarHBondContact O-N 3.31Å; I383-Y790 WeakPolarHBondContact CD1-O 3.36Å; I383-S794 WeakPolarHBondContact CG1-OG 3.5Å; I383-L973 HydrophobicContact CG2-CD1 4.41Å |
| 384 | R | 92.8 | Very high | 81.6 | Confident | 19 Ų | 19 | 18.1 Ų | 18.1 | 7% | 0.072 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -61.3 | -38.7 | 177.9 | -159.6 | 70.2 | 127.7 | 168.8 | 6.6 | 112.8 | L234 N235 F238 H239 P380 I381 F382 L387 I388 | L234-R384 HydrophobicContact CD2-CB 4.09Å; L234-R384 HydrophobicContact CD2-CG 4.05Å; L234-R384 HydrophobicContact CG-CG 4.11Å; N235-R384 PolarHBondContact OD1-NE 3.13Å; N235-R384 PolarHBondContact OD1-NH2 3.23Å; F238-R384 HydrophobicContact CB-CG 4.35Å; F238-R384 VanDerWaalsContact CG-NH1 3.28Å; H239-R384 PolarHBondContact NE2-NH2 3.06Å; H239-R384 VanDerWaalsContact NE2-NH2 3.16Å; P380-R384 WeakPolarHBondContact O-CB 3.37Å; P380-R384 PolarHBondContact O-N 3.34Å; I381-R384 VanDerWaalsContact O-CB 3.31Å; I381-R384 WeakPolarHBondContact O-CB 3.49Å; I381-R384 PolarHBondContact O-N 2.98Å; I381-R384 VanDerWaalsContact O-N 3.13Å; F382-R384 VanDerWaalsContact C-N 3.26Å; F382-R384 PolarHBondContact O-N 3.35Å; R384-L387 PolarHBondContact O-N 3.04Å; R384-I388 HydrophobicContact CG-CD1 4.15Å; R384-I388 WeakPolarHBondContact O-CB 3.21Å; R384-I388 WeakPolarHBondContact O-CD1 3.48Å; R384-I388 VanDerWaalsContact O-CG1 3.26Å; R384-I388 WeakPolarHBondContact O-CG1 3.29Å; R384-I388 PolarHBondContact O-N 3.25Å |
| 385 | M | 95.6 | Very high | 84.4 | Confident | 1 Ų | 1 | 17.1 Ų | 17.1 | 1% | 0.005 | 9% | 0.085 | C | C | . | . | H | α-helix | trans | -66.7 | -41 | 177.6 | -66.9 | 175.9 | 78.4 | 0 | 0 | 111.9 | L234 F300 L329 I381 F382 I383 I388 S389 | L234-M385 HydrophobicContact CD1-CG 4.34Å; L234-M385 HydrophobicContact CD2-CG 4.25Å; F300-M385 HydrophobicContact CB-CE 3.46Å; F300-M385 VanDerWaalsContact CB-CE 3.46Å; F300-M385 HydrophobicContact CD1-CE 3.77Å; F300-M385 HydrophobicContact CD1-CG 4.06Å; F300-M385 HydrophobicContact CD2-CE 3.63Å; F300-M385 HydrophobicContact CE1-CB 4.13Å; F300-M385 HydrophobicContact CE1-CE 4.42Å; F300-M385 HydrophobicContact CE1-CG 3.98Å; F300-M385 HydrophobicContact CE2-CB 4.36Å; F300-M385 HydrophobicContact CE2-CE 4.31Å; F300-M385 HydrophobicContact CG-CE 3.31Å; F300-M385 HydrophobicContact CG-CG 4.49Å; F300-M385 HydrophobicContact CZ-CB 4.01Å; F300-M385 HydrophobicContact CZ-CG 4.35Å; F300-M385 WeakPolarHBondContact CZ-O 3.43Å; L329-M385 HydrophobicContact CD1-CE 4.09Å; L329-M385 HydrophobicContact CD2-CE 3.76Å; L329-M385 HydrophobicContact CD2-SD 3.81Å; L329-M385 HydrophobicContact CG-CE 4.34Å; I381-M385 HydrophobicContact CG2-SD 4.33Å; I381-M385 WeakPolarHBondContact O-CG 3.37Å; I381-M385 PolarHBondContact O-N 3.3Å; F382-M385 PolarHBondContact O-N 3.16Å; F382-M385 VanDerWaalsContact O-N 3.15Å; I383-M385 VanDerWaalsContact C-N 3.33Å; I383-M385 PolarHBondContact O-N 2.89Å; M385-I388 PolarHBondContact O-N 3.36Å; M385-S389 PolarHBondContact O-N 3.16Å; M385-S389 PolarHBondContact O-OG 3.45Å |
| 386 | L | 95.3 | Very high | 87.1 | Confident | 1 Ų | 1 | 15.7 Ų | 15.7 | 1% | 0.005 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.2 | -48.4 | 173.6 | 174.9 | 65 | 0 | 0 | 0 | 111 | F382 I383 I388 S389 I390 V482 Y486 F798 | F382-L386 PolarHBondContact O-N 3.07Å; F382-L386 VanDerWaalsContact O-N 3.13Å; I383-L386 PolarHBondContact O-N 3.26Å; L386-I388 VanDerWaalsContact C-N 3.34Å; L386-I388 PolarHBondContact O-N 2.91Å; L386-S389 WeakPolarHBondContact O-CB 3.3Å; L386-S389 PolarHBondContact O-N 3.43Å; L386-I390 HydrophobicContact CD1-CD1 4.29Å; L386-I390 HydrophobicContact CG-CD1 4.14Å; L386-I390 PolarHBondContact O-N 3.3Å; L386-V482 HydrophobicContact CB-CG1 4.17Å; L386-V482 HydrophobicContact CD1-CB 4.42Å; L386-V482 HydrophobicContact CD1-CG1 4.02Å; L386-Y486 HydrophobicContact CB-CD2 4.46Å; L386-Y486 HydrophobicContact CB-CE2 3.87Å; L386-Y486 HydrophobicContact CD2-CD2 4.29Å; L386-Y486 HydrophobicContact CD2-CE2 4.48Å; L386-F798 HydrophobicContact CD1-CD2 3.89Å; L386-F798 HydrophobicContact CD1-CE2 4.37Å; L386-F798 HydrophobicContact CD2-CB 4.2Å |
| 387 | L | 95.8 | Very high | 89.1 | Confident | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -56.2 | -46.3 | 176.9 | -76 | 166.9 | 0 | 0 | 0 | 112.5 | F238 I383 R384 S389 I390 L391 L797 L973 L974 | F238-L387 HydrophobicContact CD2-CB 3.86Å; F238-L387 HydrophobicContact CD2-CD1 4.37Å; F238-L387 HydrophobicContact CE2-CB 3.79Å; F238-L387 HydrophobicContact CE2-CD1 3.83Å; F238-L387 HydrophobicContact CE2-CD2 4.28Å; F238-L387 HydrophobicContact CE2-CG 4.21Å; I383-L387 HydrophobicContact CG2-CD1 4.09Å; I383-L387 WeakPolarHBondContact O-CG 3.42Å; I383-L387 PolarHBondContact O-N 3.31Å; R384-L387 PolarHBondContact O-N 3.04Å; L387-S389 VanDerWaalsContact C-N 3.28Å; L387-S389 PolarHBondContact O-N 2.98Å; L387-I390 PolarHBondContact O-N 2.86Å; L387-L391 WeakPolarHBondContact O-CB 3.32Å; L387-L391 WeakPolarHBondContact O-CD1 3.32Å; L387-L391 WeakPolarHBondContact O-CG 3.3Å; L387-L391 PolarHBondContact O-N 3.17Å; L387-L797 HydrophobicContact CD2-CD2 3.44Å; L387-L797 VanDerWaalsContact CD2-CD2 3.44Å; L387-L797 HydrophobicContact CG-CD2 4.09Å; L387-L973 HydrophobicContact CD1-CB 4.2Å; L387-L973 HydrophobicContact CD1-CD1 3.97Å; L387-L973 HydrophobicContact CD2-CB 4.19Å; L387-L974 HydrophobicContact CD2-CD1 3.88Å; L387-L974 HydrophobicContact CD2-CD2 3.6Å; L387-L974 HydrophobicContact CD2-CG 3.57Å |
| 388 | I | 98 | Very high | 90.8 | Very high | 0 Ų | 0 | 14.8 Ų | 14.8 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 177.2 | -72.2 | 164.8 | 0 | 0 | 0 | 110.9 | L234 I237 F238 L241 F300 I304 R384 M385 L386 L391 T392 | L234-I388 HydrophobicContact CD1-CD1 3.4Å; L234-I388 HydrophobicContact CG-CD1 3.7Å; L234-I388 WeakPolarHBondContact O-CD1 3.32Å; I237-I388 HydrophobicContact CG2-CD1 4.43Å; I237-I388 HydrophobicContact CG2-CG2 4.17Å; F238-I388 HydrophobicContact CB-CD1 4.03Å; F238-I388 HydrophobicContact CB-CG1 3.76Å; F238-I388 HydrophobicContact CD2-CG1 4.4Å; L241-I388 HydrophobicContact CD1-CG2 3.91Å; F300-I388 HydrophobicContact CE1-CB 4.1Å; F300-I388 HydrophobicContact CE1-CD1 4.12Å; F300-I388 HydrophobicContact CE1-CG2 3.84Å; F300-I388 HydrophobicContact CZ-CB 3.94Å; F300-I388 HydrophobicContact CZ-CG2 3.71Å; I304-I388 HydrophobicContact CD1-CG2 3.91Å; I304-I388 HydrophobicContact CG1-CG2 3.77Å; I304-I388 HydrophobicContact CG2-CG2 4.29Å; R384-I388 HydrophobicContact CG-CD1 4.15Å; R384-I388 WeakPolarHBondContact O-CB 3.21Å; R384-I388 WeakPolarHBondContact O-CD1 3.48Å; R384-I388 VanDerWaalsContact O-CG1 3.26Å; R384-I388 WeakPolarHBondContact O-CG1 3.29Å; R384-I388 PolarHBondContact O-N 3.25Å; M385-I388 PolarHBondContact O-N 3.36Å; L386-I388 VanDerWaalsContact C-N 3.34Å; L386-I388 PolarHBondContact O-N 2.91Å; I388-L391 PolarHBondContact O-N 3.11Å; I388-T392 VanDerWaalsContact O-CB 3.28Å; I388-T392 WeakPolarHBondContact O-CB 3.43Å; I388-T392 PolarHBondContact O-N 3.39Å; I388-T392 PolarHBondContact O-OG1 3.45Å |
| 389 | S | 97 | Very high | 91.9 | Very high | 2 Ų | 2 | 16.5 Ų | 16.5 | 1% | 0.014 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -63.2 | -46.4 | 177.9 | -54.2 | 0 | 0 | 0 | 0 | 111.2 | M385 L386 L387 T392 Y393 F478 | M385-S389 PolarHBondContact O-N 3.16Å; M385-S389 PolarHBondContact O-OG 3.45Å; L386-S389 WeakPolarHBondContact O-CB 3.3Å; L386-S389 PolarHBondContact O-N 3.43Å; L387-S389 VanDerWaalsContact C-N 3.28Å; L387-S389 PolarHBondContact O-N 2.98Å; S389-T392 PolarHBondContact O-N 3.1Å; S389-Y393 PolarHBondContact O-N 3.17Å; S389-Y393 VanDerWaalsContact O-N 3.12Å; S389-F478 WeakPolarHBondContact OG-CD1 3.25Å |
| 390 | I | 95.2 | Very high | 92.3 | Very high | 0 Ų | 0 | 20.8 Ų | 20.8 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -57.1 | -53.1 | 173.5 | -70.7 | 169.9 | 0 | 0 | 0 | 110.4 | L386 L387 T392 Y393 E394 F798 W801 L974 | L386-I390 HydrophobicContact CD1-CD1 4.29Å; L386-I390 HydrophobicContact CG-CD1 4.14Å; L386-I390 PolarHBondContact O-N 3.3Å; L387-I390 PolarHBondContact O-N 2.86Å; I390-T392 VanDerWaalsContact C-N 3.29Å; I390-T392 PolarHBondContact O-N 2.96Å; I390-Y393 WeakPolarHBondContact O-CB 3.44Å; I390-Y393 PolarHBondContact O-N 3.41Å; I390-Y393 VanDerWaalsContact O-N 3.14Å; I390-E394 HydrophobicContact CG2-CG 4.34Å; I390-E394 WeakPolarHBondContact O-CG 3.41Å; I390-E394 PolarHBondContact O-N 3.26Å; I390-F798 HydrophobicContact CD1-CD2 4.48Å; I390-W801 HydrophobicContact CB-CZ2 4.4Å; I390-W801 HydrophobicContact CD1-CB 4.32Å; I390-W801 HydrophobicContact CD1-CD2 4.1Å; I390-W801 HydrophobicContact CD1-CE3 4.29Å; I390-W801 HydrophobicContact CD1-CG 4.15Å; I390-W801 HydrophobicContact CG1-CD2 3.9Å; I390-W801 HydrophobicContact CG1-CE3 4.06Å; I390-W801 HydrophobicContact CG1-CG 4.36Å; I390-W801 HydrophobicContact CG1-CH2 4.32Å; I390-W801 HydrophobicContact CG1-CZ2 4.16Å; I390-W801 HydrophobicContact CG1-CZ3 4.3Å; I390-W801 HydrophobicContact CG2-CD2 4.1Å; I390-W801 HydrophobicContact CG2-CG 4.06Å; I390-W801 HydrophobicContact CG2-CZ2 4.13Å; I390-L974 HydrophobicContact CG2-CD1 4.22Å |
| 391 | L | 96.8 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.1 Ų | 24.1 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -65.9 | -31.8 | -177 | -65 | 167.1 | 0 | 0 | 0 | 113.5 | F238 L241 R242 T245 L387 I388 E394 Y395 L974 L977 | F238-L391 HydrophobicContact CD2-CD1 3.68Å; F238-L391 HydrophobicContact CE2-CD1 3.75Å; L241-L391 HydrophobicContact CB-CB 3.88Å; L241-L391 HydrophobicContact CB-CD1 4.31Å; L241-L391 HydrophobicContact CD1-CB 4.42Å; R242-L391 VanDerWaalsContact CD-CD2 3.49Å; R242-L391 HydrophobicContact CG-CD1 3.62Å; R242-L391 HydrophobicContact CG-CD2 4.49Å; R242-L391 VanDerWaalsContact NH1-CD2 3.27Å; T245-L391 HydrophobicContact CG2-CD2 4.33Å; L387-L391 WeakPolarHBondContact O-CB 3.32Å; L387-L391 WeakPolarHBondContact O-CD1 3.32Å; L387-L391 WeakPolarHBondContact O-CG 3.3Å; L387-L391 PolarHBondContact O-N 3.17Å; I388-L391 PolarHBondContact O-N 3.11Å; L391-E394 PolarHBondContact O-N 3.3Å; L391-Y395 VanDerWaalsContact O-CB 3.29Å; L391-Y395 WeakPolarHBondContact O-CB 3.35Å; L391-Y395 PolarHBondContact O-N 3.08Å; L391-L974 HydrophobicContact CD1-CD2 4.41Å; L391-L974 HydrophobicContact CD2-CD2 3.85Å; L391-L974 HydrophobicContact CG-CD2 4.19Å; L391-L977 HydrophobicContact CD2-CD1 4.2Å |
| 392 | T | 96.7 | Very high | 92.2 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -66.1 | -42.6 | 175.4 | -58.5 | 0 | 0 | 0 | 0 | 110.3 | L241 I304 F307 L308 I388 S389 I390 I396 P475 | L241-T392 WeakPolarHBondContact CD1-OG1 3.46Å; I304-T392 HydrophobicContact CD1-CG2 4.41Å; I304-T392 HydrophobicContact CG2-CG2 4.3Å; F307-T392 HydrophobicContact CB-CG2 3.94Å; F307-T392 HydrophobicContact CD2-CG2 4.24Å; L308-T392 HydrophobicContact CD2-CG2 4.23Å; L308-T392 HydrophobicContact CG-CG2 4.49Å; I388-T392 VanDerWaalsContact O-CB 3.28Å; I388-T392 WeakPolarHBondContact O-CB 3.43Å; I388-T392 PolarHBondContact O-N 3.39Å; I388-T392 PolarHBondContact O-OG1 3.45Å; S389-T392 PolarHBondContact O-N 3.1Å; I390-T392 VanDerWaalsContact C-N 3.29Å; I390-T392 PolarHBondContact O-N 2.96Å; T392-I396 HydrophobicContact CG2-CD1 3.86Å; T392-I396 WeakPolarHBondContact O-CB 3.3Å; T392-I396 WeakPolarHBondContact O-CD1 3.18Å; T392-I396 WeakPolarHBondContact O-CG1 3.45Å; T392-I396 PolarHBondContact O-N 3Å; T392-I396 VanDerWaalsContact O-N 3.07Å; T392-P475 HydrophobicContact CG2-CB 4.31Å; T392-P475 HydrophobicContact CG2-CG 4.25Å |
| 393 | Y | 94.1 | Very high | 91.7 | Very high | 21 Ų | 21 | 33.2 Ų | 33.2 | 8% | 0.082 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.7 | -50.2 | 172.1 | 167.7 | -98.8 | 0 | 0 | 0 | 111.6 | S389 I390 Y395 I396 H397 L476 W801 F807 | S389-Y393 PolarHBondContact O-N 3.17Å; S389-Y393 VanDerWaalsContact O-N 3.12Å; I390-Y393 WeakPolarHBondContact O-CB 3.44Å; I390-Y393 PolarHBondContact O-N 3.41Å; I390-Y393 VanDerWaalsContact O-N 3.14Å; Y393-Y395 VanDerWaalsContact C-N 3.3Å; Y393-Y395 PolarHBondContact O-N 3.17Å; Y393-I396 PolarHBondContact O-N 3.42Å; Y393-H397 VanDerWaalsContact O-CB 3.29Å; Y393-H397 WeakPolarHBondContact O-CB 3.37Å; Y393-H397 PolarHBondContact O-N 2.99Å; Y393-L476 HydrophobicContact CD2-CB 3.66Å; Y393-L476 HydrophobicContact CD2-CD1 4.29Å; Y393-L476 HydrophobicContact CD2-CG 4.4Å; Y393-L476 HydrophobicContact CE2-CB 3.82Å; Y393-L476 HydrophobicContact CE2-CD1 4.16Å; Y393-L476 HydrophobicContact CE2-CD2 3.97Å; Y393-L476 HydrophobicContact CE2-CG 4.2Å; Y393-L476 HydrophobicContact CG-CB 4.49Å; Y393-W801 HydrophobicContact CD1-CH2 4.33Å; Y393-W801 AromaticContact CD1-CZ2 3.57Å; Y393-W801 HydrophobicContact CD1-CZ2 3.57Å; Y393-W801 HydrophobicContact CE1-CZ2 4.02Å; Y393-W801 HydrophobicContact CG-CZ2 4.27Å; Y393-F807 HydrophobicContact CD1-CZ 4.5Å; Y393-F807 AromaticContact CE1-CE1 3.94Å; Y393-F807 HydrophobicContact CE1-CE1 3.94Å; Y393-F807 AromaticContact CE1-CZ 3.78Å; Y393-F807 HydrophobicContact CE1-CZ 3.78Å |
| 394 | E | 92.9 | Very high | 91.1 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 7% | 0.065 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -57 | -45.2 | -179.5 | -67.4 | -69.1 | -175.9 | 0 | 0 | 112 | T245 I390 L391 H397 Q398 W801 Q806 L977 S979 | T245-E394 HydrophobicContact CG2-CB 3.9Å; I390-E394 HydrophobicContact CG2-CG 4.34Å; I390-E394 WeakPolarHBondContact O-CG 3.41Å; I390-E394 PolarHBondContact O-N 3.26Å; L391-E394 PolarHBondContact O-N 3.3Å; E394-H397 PolarHBondContact O-N 3.45Å; E394-Q398 WeakPolarHBondContact O-CB 3.28Å; E394-Q398 PolarHBondContact O-N 3.05Å; E394-W801 PolarHBondContact OE1-NE1 3.34Å; E394-Q806 VanDerWaalsContact CD-OE1 3.29Å; E394-Q806 PolarHBondContact OE1-OE1 3.42Å; E394-Q806 PolarHBondContact OE2-NE2 3.32Å; E394-Q806 PolarHBondContact OE2-OE1 3.47Å; E394-Q806 VanDerWaalsContact OE2-OE1 3.05Å; E394-L977 HydrophobicContact CB-CD1 4.43Å; E394-L977 HydrophobicContact CG-CD1 4.19Å; E394-L977 HydrophobicContact CG-CD2 4.14Å; E394-S979 VanDerWaalsContact CD-OG 3.26Å; E394-S979 VanDerWaalsContact OE1-CB 3.26Å; E394-S979 WeakPolarHBondContact OE1-CB 3.23Å; E394-S979 PolarHBondContact OE1-OG 3.26Å |
| 395 | Y | 94.8 | Very high | 90.2 | Very high | 26 Ų | 26 | 43 Ų | 43 | 10% | 0.102 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -64 | -45.5 | 179.2 | -177.1 | -121.7 | 0 | 0 | 0 | 111.9 | L241 L244 L308 L391 Y393 H397 Q398 L399 | L241-Y395 HydrophobicContact CD2-CD1 4.3Å; L244-Y395 HydrophobicContact CB-CD2 3.81Å; L244-Y395 HydrophobicContact CB-CE2 3.74Å; L244-Y395 HydrophobicContact CD1-CE1 4.37Å; L244-Y395 HydrophobicContact CD1-CE2 4.17Å; L244-Y395 HydrophobicContact CD2-CE2 4.48Å; L244-Y395 HydrophobicContact CG-CE2 4.35Å; L308-Y395 HydrophobicContact CD2-CD1 3.64Å; L308-Y395 HydrophobicContact CD2-CE1 4.03Å; L391-Y395 VanDerWaalsContact O-CB 3.29Å; L391-Y395 WeakPolarHBondContact O-CB 3.35Å; L391-Y395 PolarHBondContact O-N 3.08Å; Y393-Y395 VanDerWaalsContact C-N 3.3Å; Y393-Y395 PolarHBondContact O-N 3.17Å; Y395-H397 VanDerWaalsContact C-N 3.35Å; Y395-Q398 PolarHBondContact O-N 3.11Å; Y395-L399 HydrophobicContact CD1-CD1 4.08Å; Y395-L399 HydrophobicContact CE1-CD1 3.65Å; Y395-L399 HydrophobicContact CE1-CG 4.42Å; Y395-L399 HydrophobicContact CE2-CD1 4.33Å; Y395-L399 HydrophobicContact CE2-CD2 4.32Å; Y395-L399 HydrophobicContact CE2-CG 4.23Å; Y395-L399 WeakPolarHBondContact O-CG 3.39Å; Y395-L399 PolarHBondContact O-N 3.05Å |
| 396 | I | 91.9 | Very high | 89 | Confident | 22 Ų | 22 | 47.2 Ų | 47.2 | 11% | 0.113 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.1 | -39.5 | 178.1 | -71.8 | 164 | 0 | 0 | 0 | 111.2 | F307 L308 T392 Y393 L399 K400 P475 | F307-I396 HydrophobicContact CB-CD1 4.13Å; F307-I396 VanDerWaalsContact O-CD1 3.28Å; F307-I396 WeakPolarHBondContact O-CD1 3.38Å; L308-I396 HydrophobicContact CD2-CD1 4.31Å; L308-I396 HydrophobicContact CD2-CG1 4.27Å; T392-I396 HydrophobicContact CG2-CD1 3.86Å; T392-I396 WeakPolarHBondContact O-CB 3.3Å; T392-I396 WeakPolarHBondContact O-CD1 3.18Å; T392-I396 WeakPolarHBondContact O-CG1 3.45Å; T392-I396 PolarHBondContact O-N 3Å; T392-I396 VanDerWaalsContact O-N 3.07Å; Y393-I396 PolarHBondContact O-N 3.42Å; I396-L399 PolarHBondContact O-N 3.03Å; I396-K400 HydrophobicContact CG2-CD 4.36Å; I396-K400 WeakPolarHBondContact O-CG 3.39Å; I396-K400 PolarHBondContact O-N 3.08Å; I396-P475 HydrophobicContact CD1-CG 3.43Å; I396-P475 VanDerWaalsContact CD1-CG 3.43Å |
| 397 | H | 88.5 | Confident | 87.3 | Confident | 56 Ų | 56 | 53.7 Ų | 53.7 | 26% | 0.259 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -61.6 | -44.1 | 175.6 | 177.7 | -94.5 | 0 | 0 | 0 | 111.2 | Y393 E394 Y395 K400 L401 Q806 | Y393-H397 VanDerWaalsContact O-CB 3.29Å; Y393-H397 WeakPolarHBondContact O-CB 3.37Å; Y393-H397 PolarHBondContact O-N 2.99Å; E394-H397 PolarHBondContact O-N 3.45Å; Y395-H397 VanDerWaalsContact C-N 3.35Å; H397-K400 PolarHBondContact O-N 2.9Å; H397-L401 WeakPolarHBondContact CE1-CD1 3.37Å; H397-L401 WeakPolarHBondContact O-CG 3.45Å; H397-L401 PolarHBondContact O-N 3.46Å; H397-Q806 PolarHBondContact CE1-NE2 3.1Å; H397-Q806 PolarHBondContact ND1-NE2 3.09Å; H397-Q806 VanDerWaalsContact ND1-NE2 3.13Å |
| 398 | Q | 88.3 | Confident | 85 | Confident | 57 Ų | 57 | 59.5 Ų | 59.5 | 27% | 0.266 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -61.4 | -44.9 | 174.8 | -176.2 | 178.6 | -14 | 0 | 0 | 112 | E394 Y395 K400 L401 E402 | E394-Q398 WeakPolarHBondContact O-CB 3.28Å; E394-Q398 PolarHBondContact O-N 3.05Å; Y395-Q398 PolarHBondContact O-N 3.11Å; Q398-K400 VanDerWaalsContact C-N 3.31Å; Q398-K400 PolarHBondContact O-N 3.16Å; Q398-L401 WeakPolarHBondContact O-CB 3.47Å; Q398-L401 PolarHBondContact O-N 2.97Å; Q398-E402 WeakPolarHBondContact CG-OE1 3.36Å; Q398-E402 PolarHBondContact NE2-OE1 2.95Å; Q398-E402 WeakPolarHBondContact O-CG 3.28Å; Q398-E402 PolarHBondContact O-N 3.36Å |
| 399 | L | 88.7 | Confident | 82.7 | Confident | 54 Ų | 54 | 65.2 Ų | 65.2 | 28% | 0.283 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -60.2 | -39.6 | 176.2 | -71 | 174.8 | 0 | 0 | 0 | 112.4 | Y395 I396 E402 Q403 | Y395-L399 HydrophobicContact CD1-CD1 4.08Å; Y395-L399 HydrophobicContact CE1-CD1 3.65Å; Y395-L399 HydrophobicContact CE1-CG 4.42Å; Y395-L399 HydrophobicContact CE2-CD1 4.33Å; Y395-L399 HydrophobicContact CE2-CD2 4.32Å; Y395-L399 HydrophobicContact CE2-CG 4.23Å; Y395-L399 WeakPolarHBondContact O-CG 3.39Å; Y395-L399 PolarHBondContact O-N 3.05Å; I396-L399 PolarHBondContact O-N 3.03Å; L399-E402 PolarHBondContact O-N 3.28Å; L399-Q403 VanDerWaalsContact O-CG 3.3Å; L399-Q403 WeakPolarHBondContact O-CG 3.47Å; L399-Q403 PolarHBondContact O-N 2.7Å |
| 400 | K | 85.7 | Confident | 80 | Confident | 91 Ų | 91 | 68.3 Ų | 68.3 | 40% | 0.396 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.9 | -43.9 | 175.6 | -73.5 | 177.2 | 179.2 | -178.1 | 0 | 111.2 | I396 H397 Q398 Q403 D404 E474 | I396-K400 HydrophobicContact CG2-CD 4.36Å; I396-K400 WeakPolarHBondContact O-CG 3.39Å; I396-K400 PolarHBondContact O-N 3.08Å; H397-K400 PolarHBondContact O-N 2.9Å; Q398-K400 VanDerWaalsContact C-N 3.31Å; Q398-K400 PolarHBondContact O-N 3.16Å; K400-Q403 PolarHBondContact O-N 3.42Å; K400-D404 PolarHBondContact O-N 3.41Å; K400-E474 IonicContact NZ-OE1 2.88Å; K400-E474 IonicContact NZ-OE2 2.65Å |
| 401 | L | 82.9 | Confident | 77.2 | Confident | 90 Ų | 90 | 78.4 Ų | 78.4 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -61.8 | -43 | 176.4 | -74.4 | 171.5 | 0 | 0 | 0 | 112.6 | H397 Q398 Q403 D404 L405 | H397-L401 WeakPolarHBondContact CE1-CD1 3.37Å; H397-L401 WeakPolarHBondContact O-CG 3.45Å; H397-L401 PolarHBondContact O-N 3.46Å; Q398-L401 WeakPolarHBondContact O-CB 3.47Å; Q398-L401 PolarHBondContact O-N 2.97Å; L401-Q403 VanDerWaalsContact C-N 3.35Å; L401-D404 PolarHBondContact O-N 3.27Å; L401-L405 WeakPolarHBondContact O-CG 3.31Å; L401-L405 PolarHBondContact O-N 3.11Å; L401-L405 VanDerWaalsContact O-N 3.08Å |
| 402 | E | 84.2 | Confident | 74.3 | Confident | 98 Ų | 98 | 87.5 Ų | 87.5 | 46% | 0.458 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.8 | -39.8 | 177.3 | -72.4 | 171.8 | -172.1 | 0 | 0 | 111.6 | Q398 L399 L405 S406 | Q398-E402 WeakPolarHBondContact CG-OE1 3.36Å; Q398-E402 PolarHBondContact NE2-OE1 2.95Å; Q398-E402 WeakPolarHBondContact O-CG 3.28Å; Q398-E402 PolarHBondContact O-N 3.36Å; L399-E402 PolarHBondContact O-N 3.28Å; E402-L405 PolarHBondContact O-N 2.83Å; E402-S406 PolarHBondContact O-N 2.86Å |
| 403 | Q | 81.5 | Confident | 71.2 | Confident | 120 Ų | 120 | 92.8 Ų | 92.8 | 56% | 0.561 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -64.8 | -41.9 | 175.1 | -74.4 | 174.8 | 5.2 | 0 | 0 | 112.5 | L399 K400 L401 L405 S406 | L399-Q403 VanDerWaalsContact O-CG 3.3Å; L399-Q403 WeakPolarHBondContact O-CG 3.47Å; L399-Q403 PolarHBondContact O-N 2.7Å; K400-Q403 PolarHBondContact O-N 3.42Å; L401-Q403 VanDerWaalsContact C-N 3.35Å; Q403-L405 VanDerWaalsContact C-N 3.34Å; Q403-L405 PolarHBondContact O-N 3.25Å; Q403-S406 PolarHBondContact O-N 2.65Å; Q403-S406 PolarHBondContact O-OG 2.91Å |
| 404 | D | 75.9 | Confident | 68.4 | Low | 96 Ų | 96 | 99.4 Ų | 99.4 | 51% | 0.513 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -68.3 | -32.8 | 179.1 | -76 | -26.6 | 0 | 0 | 0 | 112.7 | K400 L401 S406 K407 | K400-D404 PolarHBondContact O-N 3.41Å; L401-D404 PolarHBondContact O-N 3.27Å; D404-S406 VanDerWaalsContact C-N 3.32Å; D404-K407 IonicContact OD1-NZ 3.43Å; D404-K407 PolarHBondContact OD1-NZ 3.5Å |
| 405 | L | 74.5 | Confident | 65.6 | Low | 151 Ų | 151 | 107 Ų | 107 | 79% | 0.791 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -68.7 | -28.5 | 172.5 | -73.3 | 167.2 | 0 | 0 | 0 | 113.1 | L401 E402 Q403 K407 | L401-L405 WeakPolarHBondContact O-CG 3.31Å; L401-L405 PolarHBondContact O-N 3.11Å; L401-L405 VanDerWaalsContact O-N 3.08Å; E402-L405 PolarHBondContact O-N 2.83Å; Q403-L405 VanDerWaalsContact C-N 3.34Å; Q403-L405 PolarHBondContact O-N 3.25Å; L405-K407 VanDerWaalsContact C-N 3.34Å |
| 406 | S | 70.3 | Confident | 62.5 | Low | 91 Ų | 91 | 112.9 Ų | 112.9 | 64% | 0.636 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -78.8 | -12.9 | 179.9 | 73.6 | 0 | 0 | 0 | 0 | 114.3 | E402 Q403 D404 P408 | E402-S406 PolarHBondContact O-N 2.86Å; Q403-S406 PolarHBondContact O-N 2.65Å; Q403-S406 PolarHBondContact O-OG 2.91Å; D404-S406 VanDerWaalsContact C-N 3.32Å; S406-P408 WeakPolarHBondContact O-CD 3.36Å |
| 407 | K | 60.4 | Low | 59.8 | Low | 137 Ų | 137 | 117.4 Ų | 117.4 | 60% | 0.596 | 64% | 0.637 | S | S | * | * | S | Bend | trans | -72.2 | 119.9 | 178.2 | -72 | 172 | -175 | 157.9 | 0 | 109.8 | D404 L405 S409 | D404-K407 IonicContact OD1-NZ 3.43Å; D404-K407 PolarHBondContact OD1-NZ 3.5Å; L405-K407 VanDerWaalsContact C-N 3.34Å; K407-S409 PolarHBondContact O-N 2.96Å |
| 408 | P | 47.4 | Very low | 56.9 | Low | 124 Ų | 124 | 122.5 Ų | 122.5 | 81% | 0.805 | 67% | 0.666 | S | S | * | * | trans | -62.7 | 123 | -178.5 | 22.5 | -30 | 0 | 0 | 0 | 110.2 | S406 G410 | S406-P408 WeakPolarHBondContact O-CD 3.36Å; P408-G410 PolarHBondContact O-N 3.11Å | ||
| 409 | S | 48.5 | Very low | 54.4 | Low | 119 Ų | 119 | 127.6 Ų | 127.6 | 83% | 0.832 | 69% | 0.694 | S | S | * | * | trans | -58.2 | 109.6 | 175.3 | 52.6 | 0 | 0 | 0 | 0 | 109.3 | K407 K411 | K407-S409 PolarHBondContact O-N 2.96Å; S409-K411 PolarHBondContact O-N 2.93Å | ||
| 410 | G | 41 | Very low | 51.4 | Low | 67 Ų | 67 | 134 Ų | 134 | 69% | 0.691 | 72% | 0.722 | S | S | * | * | trans | -55.9 | 124.1 | -179.3 | 0 | 0 | 0 | 0 | 0 | 110.7 | P408 K412 | P408-G410 PolarHBondContact O-N 3.11Å; G410-K412 PolarHBondContact O-N 3.14Å | ||
| 411 | K | 35.8 | Very low | 48.8 | Very low | 213 Ų | 213 | 134.3 Ų | 134.3 | 93% | 0.926 | 74% | 0.735 | S | S | * | * | trans | -41.8 | 105.4 | 172 | -72.4 | 176 | 175.6 | 176.8 | 0 | 110.1 | S409 | S409-K411 PolarHBondContact O-N 2.93Š| ||
| 412 | K | 36 | Very low | 46.4 | Very low | 190 Ų | 190 | 138.9 Ų | 138.9 | 83% | 0.826 | 75% | 0.754 | S | S | * | * | trans | -77.5 | 122.3 | 160.5 | -80.9 | -176.6 | 175.5 | 179.2 | 0 | 107.3 | G410 D414 | G410-K412 PolarHBondContact O-N 3.14Å; K412-D414 PolarHBondContact O-N 2.96Å | ||
| 413 | S | 31.9 | Very low | 43.7 | Very low | 112 Ų | 112 | 139.3 Ų | 139.3 | 78% | 0.783 | 77% | 0.768 | S | S | * | * | trans | -63 | 107.8 | 170.4 | 46.8 | 0 | 0 | 0 | 0 | 109.4 | E415 | S413-E415 PolarHBondContact O-N 3.47Š| ||
| 414 | D | 36.6 | Very low | 42.1 | Very low | 159 Ų | 159 | 138.8 Ų | 138.8 | 85% | 0.85 | 78% | 0.775 | S | S | * | * | trans | -83.9 | 103.5 | 172 | -71.7 | -31.8 | 0 | 0 | 0 | 109.2 | K412 | K412-D414 PolarHBondContact O-N 2.96Š| ||
| 415 | E | 32.2 | Very low | 39.9 | Very low | 174 Ų | 174 | 141.3 Ų | 141.3 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -90.8 | 124.7 | 159.4 | -80.3 | -172.1 | 157.5 | 0 | 0 | 109.4 | S413 | S413-E415 PolarHBondContact O-N 3.47Š| ||
| 416 | N | 29.9 | Very low | 37.6 | Very low | 149 Ų | 149 | 142 Ų | 142 | 80% | 0.797 | 78% | 0.783 | S | S | * | * | trans | 55.2 | 109.3 | 146.2 | -64.7 | -20.5 | 0 | 0 | 0 | 120.1 | ||||
| 417 | S | 35.4 | Very low | 35.7 | Very low | 118 Ų | 118 | 142.4 Ų | 142.4 | 83% | 0.825 | 79% | 0.792 | S | S | * | * | -165.9 | 112.1 | 115.5 | 56.4 | 0 | 0 | 0 | 0 | 111.5 | |||||
| 418 | N | 27.3 | Very low | 34.1 | Very low | 163 Ų | 163 | 145.1 Ų | 145.1 | 87% | 0.872 | 81% | 0.807 | S | S | * | * | trans | -65.8 | 125.2 | 165.6 | -74.9 | -33.5 | 0 | 0 | 0 | 110.7 | ||||
| 419 | I | 35.8 | Very low | 33.3 | Very low | 164 Ų | 164 | 144.4 Ų | 144.4 | 84% | 0.841 | 80% | 0.804 | S | S | * | * | trans | -141.5 | 109.5 | 144.3 | -61.5 | -174.2 | 0 | 0 | 0 | 107.7 | ||||
| 420 | E | 27.4 | Very low | 32.2 | Very low | 188 Ų | 188 | 145.7 Ų | 145.7 | 88% | 0.879 | 81% | 0.807 | S | S | * | * | trans | -64.2 | 138 | 165.9 | -71.3 | 169.7 | 125.8 | 0 | 0 | 110.8 | ||||
| 421 | S | 30.3 | Very low | 31.5 | Very low | 97 Ų | 97 | 147.7 Ų | 147.7 | 68% | 0.678 | 81% | 0.811 | S | S | * | * | 176.2 | 122.3 | 127.2 | 57.9 | 0 | 0 | 0 | 0 | 113.5 | |||||
| 422 | H | 32.2 | Very low | 31.1 | Very low | 186 Ų | 186 | 142.2 Ų | 142.2 | 86% | 0.861 | 81% | 0.805 | S | S | * | * | trans | 73.7 | 98.6 | 148.5 | -59.4 | -57.4 | 0 | 0 | 0 | 122.1 | ||||
| 423 | S | 27.6 | Very low | 30.5 | Very low | 107 Ų | 107 | 138.9 Ų | 138.9 | 75% | 0.748 | 81% | 0.806 | S | S | * | * | trans | -70.8 | -176.1 | 147.8 | 53.1 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 424 | P | 48.1 | Very low | 30.3 | Very low | 109 Ų | 109 | 139.8 Ų | 139.8 | 71% | 0.708 | 81% | 0.807 | S | S | * | * | cis | -130 | 171.2 | -25.7 | 23.7 | 0.8 | 0 | 0 | 0 | 111.7 | ||||
| 425 | Q | 28.9 | Very low | 29.8 | Very low | 150 Ų | 150 | 135.8 Ų | 135.8 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | 178.6 | 134.6 | 85.1 | -91.8 | -172.5 | -66.3 | 0 | 0 | 112.9 | |||||
| 426 | E | 26.9 | Very low | 29.4 | Very low | 166 Ų | 166 | 135 Ų | 135 | 78% | 0.776 | 80% | 0.804 | S | S | * | * | trans | 53.8 | 102.8 | 135.5 | -63.1 | 167.3 | -149.2 | 0 | 0 | 120.7 | ||||
| 427 | A | 30.2 | Very low | 29 | Very low | 99 Ų | 99 | 136.7 Ų | 136.7 | 82% | 0.818 | 81% | 0.809 | S | S | * | * | trans | -145 | 105.6 | 139.3 | 0 | 0 | 0 | 0 | 0 | 108.8 | S429 | A427-S429 PolarHBondContact O-N 3.11Š| ||
| 428 | E | 27.8 | Very low | 28.5 | Very low | 194 Ų | 194 | 136.4 Ų | 136.4 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -62.7 | 121.8 | 176.5 | -69.9 | 175.2 | 137.2 | 0 | 0 | 111 | ||||
| 429 | S | 28.7 | Very low | 28.5 | Very low | 109 Ų | 109 | 133.9 Ų | 133.9 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -135.2 | 101.8 | 159.1 | 50.8 | 0 | 0 | 0 | 0 | 108.9 | A427 S431 | A427-S429 PolarHBondContact O-N 3.11Å; S429-S431 PolarHBondContact O-N 2.97Å | ||
| 430 | T | 26.2 | Very low | 28 | Very low | 146 Ų | 146 | 130.8 Ų | 130.8 | 90% | 0.896 | 78% | 0.779 | S | S | * | * | trans | -76.6 | 98.9 | 178.3 | 34.4 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 431 | S | 25.9 | Very low | 28.1 | Very low | 108 Ų | 108 | 130.3 Ų | 130.3 | 76% | 0.755 | 78% | 0.777 | S | S | * | * | trans | -122.6 | 90.2 | 162 | 52 | 0 | 0 | 0 | 0 | 108.8 | S429 S433 | S429-S431 PolarHBondContact O-N 2.97Å; S431-S433 VanDerWaalsContact C-N 3.34Å; S431-S433 PolarHBondContact O-N 3.17Å | ||
| 432 | A | 27 | Very low | 28 | Very low | 98 Ų | 98 | 134.3 Ų | 134.3 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -75.1 | 86.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | T434 | A432-T434 PolarHBondContact O-N 3.32Š| ||
| 433 | S | 24.9 | Very low | 27.6 | Very low | 120 Ų | 120 | 135 Ų | 135 | 84% | 0.839 | 79% | 0.785 | S | S | * | * | trans | -76.8 | 101 | 164.4 | -164.2 | 0 | 0 | 0 | 0 | 108.1 | S431 G435 | S431-S433 VanDerWaalsContact C-N 3.34Å; S431-S433 PolarHBondContact O-N 3.17Å; S433-G435 PolarHBondContact O-N 3.16Å | ||
| 434 | T | 27.1 | Very low | 27.6 | Very low | 132 Ų | 132 | 135.7 Ų | 135.7 | 81% | 0.81 | 79% | 0.785 | S | S | * | * | trans | -83.5 | 92.9 | 173.4 | 20.5 | 0 | 0 | 0 | 0 | 108 | A432 L436 | A432-T434 PolarHBondContact O-N 3.32Å; T434-L436 PolarHBondContact O-N 2.88Å | ||
| 435 | G | 25.5 | Very low | 26.5 | Very low | 75 Ų | 75 | 137.3 Ų | 137.3 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -67.6 | 112.2 | 165.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | S433 | S433-G435 PolarHBondContact O-N 3.16Š| ||
| 436 | L | 24.3 | Very low | 26.3 | Very low | 157 Ų | 157 | 138.3 Ų | 138.3 | 82% | 0.822 | 79% | 0.791 | S | S | * | * | trans | -100.6 | 113.8 | 168.7 | -144.4 | 88.5 | 0 | 0 | 0 | 107.8 | T434 T438 | T434-L436 PolarHBondContact O-N 2.88Å; L436-T438 PolarHBondContact O-N 2.84Å | ||
| 437 | M | 21.3 | Very low | 26.2 | Very low | 185 Ų | 185 | 136.2 Ų | 136.2 | 91% | 0.911 | 79% | 0.79 | S | S | * | * | trans | -65.9 | 116 | 173.8 | -71.3 | -120.7 | 139.9 | 0 | 0 | 110.2 | ||||
| 438 | T | 26.1 | Very low | 25.9 | Very low | 112 Ų | 112 | 139.2 Ų | 139.2 | 69% | 0.687 | 79% | 0.792 | S | S | * | * | trans | -95.3 | 103.7 | 164.8 | 49.2 | 0 | 0 | 0 | 0 | 108.1 | L436 | L436-T438 PolarHBondContact O-N 2.84Š| ||
| 439 | S | 25.5 | Very low | 26 | Very low | 109 Ų | 109 | 135.7 Ų | 135.7 | 76% | 0.762 | 79% | 0.789 | S | S | * | * | trans | -92.2 | 107.2 | 166.5 | 27.1 | 0 | 0 | 0 | 0 | 106.6 | ||||
| 440 | E | 26.9 | Very low | 25.8 | Very low | 99 Ų | 99 | 135.1 Ų | 135.1 | 46% | 0.463 | 79% | 0.785 | S | S | . | * | trans | -108.7 | 107.5 | 165.5 | -70.8 | -165.9 | 142.4 | 0 | 0 | 107.2 | E442 I706 E708 | E440-E442 PolarHBondContact O-N 2.82Å; E440-I706 WeakPolarHBondContact OE1-CG2 3.3Å; E440-E708 WeakPolarHBondContact OE1-CG 3.44Å | ||
| 441 | E | 29.2 | Very low | 26 | Very low | 179 Ų | 179 | 134.7 Ų | 134.7 | 84% | 0.836 | 78% | 0.777 | S | S | * | * | trans | -74.6 | 119 | 174.5 | -74.1 | -179.5 | 152.8 | 0 | 0 | 109.4 | K443 | E441-K443 PolarHBondContact O-N 2.67Š| ||
| 442 | E | 27.1 | Very low | 26 | Very low | 180 Ų | 180 | 137.1 Ų | 137.1 | 84% | 0.841 | 78% | 0.782 | S | S | * | * | trans | -55.3 | 106.4 | 171.4 | -71.7 | 178.4 | 139.3 | 0 | 0 | 111.2 | E440 V444 | E440-E442 PolarHBondContact O-N 2.82Å; E442-V444 VanDerWaalsContact C-N 3.31Å; E442-V444 PolarHBondContact O-N 3.05Å | ||
| 443 | K | 24.7 | Very low | 25.9 | Very low | 200 Ų | 200 | 139 Ų | 139 | 87% | 0.87 | 79% | 0.787 | S | S | * | * | trans | -73.4 | 87.6 | 164.9 | -93.2 | 178 | 177.6 | 165.3 | 0 | 110.2 | E441 I445 | E441-K443 PolarHBondContact O-N 2.67Å; K443-I445 PolarHBondContact O-N 2.87Å | ||
| 444 | V | 28.3 | Very low | 25.9 | Very low | 123 Ų | 123 | 138.5 Ų | 138.5 | 75% | 0.745 | 78% | 0.784 | S | S | * | * | trans | -58.1 | 112.1 | 162.2 | 177.1 | 0 | 0 | 0 | 0 | 108.6 | E442 Q446 | E442-V444 VanDerWaalsContact C-N 3.31Å; E442-V444 PolarHBondContact O-N 3.05Å; V444-Q446 PolarHBondContact O-N 2.74Å | ||
| 445 | I | 23.9 | Very low | 25.9 | Very low | 142 Ų | 142 | 137.7 Ų | 137.7 | 73% | 0.728 | 78% | 0.783 | S | S | * | * | trans | -73.8 | 95.9 | 172.7 | -63.3 | 173.1 | 0 | 0 | 0 | 107.2 | K443 T447 | K443-I445 PolarHBondContact O-N 2.87Å; I445-T447 PolarHBondContact O-N 3.33Å | ||
| 446 | Q | 24.2 | Very low | 26.1 | Very low | 172 Ų | 172 | 138.5 Ų | 138.5 | 80% | 0.804 | 78% | 0.783 | S | S | * | * | trans | -56.9 | 114.1 | 163.9 | -99.5 | 171.7 | -18.9 | 0 | 0 | 108.8 | V444 | V444-Q446 PolarHBondContact O-N 2.74Š| ||
| 447 | T | 26.1 | Very low | 26.1 | Very low | 122 Ų | 122 | 136.8 Ų | 136.8 | 75% | 0.748 | 78% | 0.779 | S | S | * | * | trans | -92.1 | 113.5 | 166.8 | 26.1 | 0 | 0 | 0 | 0 | 107.1 | I445 S449 | I445-T447 PolarHBondContact O-N 3.33Å; T447-S449 PolarHBondContact O-N 3.37Å; T447-S449 VanDerWaalsContact O-N 3.12Å | ||
| 448 | D | 23.8 | Very low | 26.4 | Very low | 162 Ų | 162 | 134.4 Ų | 134.4 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | trans | -58.4 | 110 | 177.1 | -66.8 | -45.1 | 0 | 0 | 0 | 110 | ||||
| 449 | S | 29.6 | Very low | 26.3 | Very low | 120 Ų | 120 | 136.1 Ų | 136.1 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | trans | -114 | 99.6 | 161.7 | 41.6 | 0 | 0 | 0 | 0 | 107 | T447 | T447-S449 PolarHBondContact O-N 3.37Å; T447-S449 VanDerWaalsContact O-N 3.12Å | ||
| 450 | S | 24.1 | Very low | 26.5 | Very low | 97 Ų | 97 | 140.8 Ų | 140.8 | 68% | 0.678 | 79% | 0.786 | S | S | * | * | trans | -77.5 | 155.4 | 169.9 | 59.5 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 451 | D | 29.6 | Very low | 26.3 | Very low | 136 Ų | 136 | 142.1 Ų | 142.1 | 73% | 0.727 | 81% | 0.805 | S | S | * | * | trans | 94.5 | 84.3 | 157.1 | -50.7 | -38.9 | 0 | 0 | 0 | 118.2 | ||||
| 452 | N | 26.2 | Very low | 26.1 | Very low | 160 Ų | 160 | 143.1 Ų | 143.1 | 86% | 0.856 | 81% | 0.81 | S | S | * | * | 44.6 | 102.1 | 120.4 | -80.3 | -12.7 | 0 | 0 | 0 | 117.6 | |||||
| 453 | C | 25.6 | Very low | 26.1 | Very low | 136 Ų | 136 | 139.8 Ų | 139.8 | 92% | 0.919 | 81% | 0.806 | S | S | * | * | trans | -140.9 | 105.5 | 138.3 | -146.8 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 454 | S | 23.9 | Very low | 26.2 | Very low | 110 Ų | 110 | 135.3 Ų | 135.3 | 77% | 0.769 | 80% | 0.8 | S | S | * | * | trans | -75.5 | 128.9 | 172.6 | 51.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 455 | S | 29 | Very low | 26 | Very low | 115 Ų | 115 | 134.6 Ų | 134.6 | 80% | 0.804 | 80% | 0.801 | S | S | * | * | trans | -174.9 | 119.5 | 136.3 | 55.4 | 0 | 0 | 0 | 0 | 113 | ||||
| 456 | A | 29.1 | Very low | 26.2 | Very low | 93 Ų | 93 | 134.2 Ų | 134.2 | 77% | 0.769 | 81% | 0.805 | S | S | * | * | trans | 58.7 | 90.3 | 142.5 | 0 | 0 | 0 | 0 | 0 | 120 | T458 | A456-T458 PolarHBondContact O-N 3.14Š| ||
| 457 | V | 23.3 | Very low | 26.4 | Very low | 120 Ų | 120 | 131.8 Ų | 131.8 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -17.2 | 117.5 | 138.9 | -178.3 | 0 | 0 | 0 | 0 | 115 | ||||
| 458 | T | 28.3 | Very low | 26.6 | Very low | 136 Ų | 136 | 130.7 Ų | 130.7 | 83% | 0.834 | 81% | 0.805 | S | S | * | * | trans | -132.8 | 100.6 | 144.4 | 52.7 | 0 | 0 | 0 | 0 | 109.1 | A456 K460 | A456-T458 PolarHBondContact O-N 3.14Å; T458-K460 PolarHBondContact O-N 3.13Å | ||
| 459 | N | 24.6 | Very low | 27.1 | Very low | 148 Ų | 148 | 128.2 Ų | 128.2 | 79% | 0.791 | 79% | 0.791 | S | S | * | * | trans | -59.5 | 117.8 | 171.1 | -70.5 | -25.7 | 0 | 0 | 0 | 110.4 | ||||
| 460 | K | 28.5 | Very low | 28 | Very low | 207 Ų | 207 | 124.9 Ų | 124.9 | 90% | 0.9 | 77% | 0.767 | S | S | * | * | trans | -138.8 | 104 | 154.2 | -97.8 | -175.2 | 178.3 | 178.4 | 0 | 109.6 | T458 | T458-K460 PolarHBondContact O-N 3.13Š| ||
| 461 | C | 23.9 | Very low | 29.9 | Very low | 126 Ų | 126 | 124.2 Ų | 124.2 | 85% | 0.851 | 76% | 0.755 | S | S | * | * | trans | 6.4 | 110 | 161.3 | -65.3 | 0 | 0 | 0 | 0 | 118.1 | S463 | C461-S463 PolarHBondContact O-N 2.84Å; C461-S463 VanDerWaalsContact O-N 3.07Å | ||
| 462 | E | 24.6 | Very low | 32.2 | Very low | 201 Ų | 201 | 120 Ų | 120 | 94% | 0.939 | 73% | 0.732 | S | S | * | * | trans | -13.6 | 93.5 | 140.6 | -64.2 | 168.3 | 170 | 0 | 0 | 114.7 | ||||
| 463 | S | 26.9 | Very low | 35.2 | Very low | 109 Ų | 109 | 115 Ų | 115 | 76% | 0.762 | 70% | 0.702 | S | S | * | * | trans | -85.2 | 109 | 154 | 57.7 | 0 | 0 | 0 | 0 | 107.9 | C461 S465 | C461-S463 PolarHBondContact O-N 2.84Å; C461-S463 VanDerWaalsContact O-N 3.07Å; S463-S465 PolarHBondContact O-N 3.3Å | ||
| 464 | S | 25.7 | Very low | 38.2 | Very low | 106 Ų | 106 | 109.6 Ų | 109.6 | 74% | 0.741 | 66% | 0.663 | S | S | * | * | trans | -16.5 | 120.1 | 165.6 | 54.2 | 0 | 0 | 0 | 0 | 114.7 | V466 | S464-V466 PolarHBondContact O-N 3.46Š| ||
| 465 | S | 25.6 | Very low | 41.4 | Very low | 109 Ų | 109 | 104.5 Ų | 104.5 | 76% | 0.762 | 63% | 0.627 | S | S | * | * | trans | -33.2 | 111.2 | 172.5 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | S463 T467 | S463-S465 PolarHBondContact O-N 3.3Å; S465-T467 PolarHBondContact O-N 3.18Å; S465-T467 VanDerWaalsContact O-N 3.09Å | ||
| 466 | V | 28.3 | Very low | 44.4 | Very low | 133 Ų | 133 | 99.1 Ų | 99.1 | 81% | 0.806 | 59% | 0.59 | S | S | * | * | trans | -59.2 | 109.5 | 164 | 175.3 | 0 | 0 | 0 | 0 | 107 | S464 A468 | S464-V466 PolarHBondContact O-N 3.46Å; V466-A468 PolarHBondContact O-N 3.48Å | ||
| 467 | T | 27.3 | Very low | 47.4 | Very low | 121 Ų | 121 | 95.1 Ų | 95.1 | 74% | 0.742 | 56% | 0.556 | S | S | * | * | trans | -58 | 114.9 | 171.1 | 43.6 | 0 | 0 | 0 | 0 | 108.9 | S465 I469 | S465-T467 PolarHBondContact O-N 3.18Å; S465-T467 VanDerWaalsContact O-N 3.09Å; T467-I469 PolarHBondContact O-N 3.42Å | ||
| 468 | A | 30.4 | Very low | 50.8 | Low | 100 Ų | 100 | 89.4 Ų | 89.4 | 83% | 0.826 | 52% | 0.521 | S | S | * | . | P | Polyproline II helix | trans | -53.6 | 121 | -179.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | V466 | V466-A468 PolarHBondContact O-N 3.48Š|
| 469 | I | 34.6 | Very low | 54 | Low | 109 Ų | 109 | 83 Ų | 83 | 56% | 0.559 | 48% | 0.482 | S | S | * | . | P | Polyproline II helix | trans | -77.7 | 136 | 178.5 | -59.8 | 167.4 | 0 | 0 | 0 | 107.1 | T467 D471 | T467-I469 PolarHBondContact O-N 3.42Å; I469-D471 PolarHBondContact O-N 2.89Å; I469-D471 VanDerWaalsContact O-N 3.16Å |
| 470 | P | 48 | Very low | 57.3 | Low | 51 Ų | 51 | 76.1 Ų | 76.1 | 33% | 0.331 | 45% | 0.445 | S | S | . | . | P | Polyproline II helix | trans | -58.9 | 121.9 | -179.9 | 21.9 | -30.9 | 0 | 0 | 0 | 110.4 | ||
| 471 | D | 64.1 | Low | 60.5 | Low | 83 Ų | 83 | 67.6 Ų | 67.6 | 44% | 0.444 | 41% | 0.411 | S | S | . | . | P | Polyproline II helix | trans | -66 | 142 | -174.1 | -79.4 | -41.4 | 0 | 0 | 0 | 111.9 | V311 I469 Y473 E474 | V311-D471 WeakPolarHBondContact CG1-OD2 3.5Å; I469-D471 PolarHBondContact O-N 2.89Å; I469-D471 VanDerWaalsContact O-N 3.16Å; D471-Y473 PolarHBondContact O-N 3.49Å; D471-Y473 VanDerWaalsContact O-N 3.09Å; D471-E474 WeakPolarHBondContact O-CG 3.48Å |
| 472 | L | 79.3 | Confident | 63.9 | Low | 46 Ų | 46 | 61.6 Ų | 61.6 | 24% | 0.241 | 37% | 0.371 | C | S | . | . | S | Bend | trans | -58.9 | -25 | -175.4 | -78.4 | 81.5 | 0 | 0 | 0 | 114.1 | E474 S477 R835 I839 | L472-E474 PolarHBondContact O-N 2.9Å; L472-S477 WeakPolarHBondContact O-CB 3.47Å; L472-S477 PolarHBondContact O-OG 3.2Å; L472-R835 HydrophobicContact CD1-CG 4.36Å; L472-I839 HydrophobicContact CD2-CD1 3.11Å; L472-I839 HydrophobicContact CG-CD1 3.76Å |
| 473 | Y | 87.6 | Confident | 67.2 | Low | 56 Ų | 56 | 52.1 Ų | 52.1 | 22% | 0.22 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -102.1 | 59.3 | -172 | -59.4 | -66.3 | 0 | 0 | 0 | 111.7 | F307 E319 F322 H323 D471 | F307-Y473 WeakPolarHBondContact CE1-O 3.27Å; E319-Y473 HydrophobicContact CB-CD2 4Å; E319-Y473 HydrophobicContact CB-CE2 3.93Å; E319-Y473 HydrophobicContact CB-CG 4.36Å; E319-Y473 VanDerWaalsContact CD-CZ 3.42Å; E319-Y473 VanDerWaalsContact CD-OH 3.27Å; E319-Y473 HydrophobicContact CG-CD1 4.47Å; E319-Y473 HydrophobicContact CG-CD2 4.06Å; E319-Y473 HydrophobicContact CG-CE1 3.99Å; E319-Y473 HydrophobicContact CG-CE2 3.48Å; E319-Y473 VanDerWaalsContact CG-CE2 3.48Å; E319-Y473 VanDerWaalsContact CG-CZ 3.43Å; E319-Y473 VanDerWaalsContact OE1-CE2 3.3Å; E319-Y473 WeakPolarHBondContact OE1-CE2 3.45Å; E319-Y473 PolarHBondContact OE1-OH 2.92Å; F322-Y473 HydrophobicContact CB-CD1 4.47Å; F322-Y473 HydrophobicContact CD1-CD1 4.15Å; F322-Y473 HydrophobicContact CD1-CE1 4.49Å; F322-Y473 HydrophobicContact CD2-CD1 4.19Å; F322-Y473 HydrophobicContact CE1-CD1 4.43Å; F322-Y473 HydrophobicContact CE2-CD1 4.42Å; F322-Y473 HydrophobicContact CG-CD1 4.06Å; H323-Y473 AromaticContact CE1-CE1 3.81Å; H323-Y473 AromaticContact NE2-CE1 3.29Å; H323-Y473 VanDerWaalsContact NE2-CE1 3.29Å; H323-Y473 WeakPolarHBondContact NE2-CE1 3.42Å; H323-Y473 AromaticContact NE2-CZ 3.63Å; H323-Y473 PolarHBondContact NE2-OH 2.9Å; H323-Y473 VanDerWaalsContact NE2-OH 3.16Å; D471-Y473 PolarHBondContact O-N 3.49Å; D471-Y473 VanDerWaalsContact O-N 3.09Å |
| 474 | E | 89.1 | Confident | 70.4 | Confident | 22 Ų | 22 | 48.6 Ų | 48.6 | 10% | 0.103 | 30% | 0.299 | C | S | . | . | S | Bend | trans | -107.8 | 164.9 | -179.5 | -87.3 | -162.2 | 174.3 | 0 | 0 | 112.6 | K400 D471 L472 L476 S477 F478 | K400-E474 IonicContact NZ-OE1 2.88Å; K400-E474 IonicContact NZ-OE2 2.65Å; D471-E474 WeakPolarHBondContact O-CG 3.48Å; L472-E474 PolarHBondContact O-N 2.9Å; E474-L476 PolarHBondContact O-N 3.42Å; E474-S477 WeakPolarHBondContact O-CB 3.42Å; E474-S477 PolarHBondContact O-N 2.9Å; E474-S477 VanDerWaalsContact O-N 3.11Å; E474-F478 PolarHBondContact O-N 3.41Å; E474-F478 VanDerWaalsContact O-N 3.08Å |
| 475 | P | 91.9 | Very high | 73.6 | Confident | 3 Ų | 3 | 44.4 Ų | 44.4 | 2% | 0.019 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -51.3 | -40.5 | 178.7 | -24.2 | 27 | 0 | 0 | 0 | 114.2 | F307 T392 I396 F478 A479 | F307-P475 HydrophobicContact CB-CG 3.92Å; F307-P475 HydrophobicContact CD1-CG 4.34Å; F307-P475 HydrophobicContact CD2-CB 4.18Å; F307-P475 HydrophobicContact CD2-CG 4Å; F307-P475 HydrophobicContact CG-CG 3.84Å; T392-P475 HydrophobicContact CG2-CB 4.31Å; T392-P475 HydrophobicContact CG2-CG 4.25Å; I396-P475 HydrophobicContact CD1-CG 3.43Å; I396-P475 VanDerWaalsContact CD1-CG 3.43Å; P475-F478 PolarHBondContact O-N 2.9Å; P475-A479 WeakPolarHBondContact O-CB 3.15Å; P475-A479 PolarHBondContact O-N 3.36Å |
| 476 | L | 91.9 | Very high | 76.9 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 2% | 0.016 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -63.3 | -47.5 | 179.2 | -177.1 | 56.5 | 0 | 0 | 0 | 111 | Y393 E474 F478 A479 L480 W801 F807 L810 W840 | Y393-L476 HydrophobicContact CD2-CB 3.66Å; Y393-L476 HydrophobicContact CD2-CD1 4.29Å; Y393-L476 HydrophobicContact CD2-CG 4.4Å; Y393-L476 HydrophobicContact CE2-CB 3.82Å; Y393-L476 HydrophobicContact CE2-CD1 4.16Å; Y393-L476 HydrophobicContact CE2-CD2 3.97Å; Y393-L476 HydrophobicContact CE2-CG 4.2Å; Y393-L476 HydrophobicContact CG-CB 4.49Å; E474-L476 PolarHBondContact O-N 3.42Å; L476-F478 PolarHBondContact O-N 3.16Å; L476-A479 PolarHBondContact O-N 2.9Å; L476-L480 HydrophobicContact CD1-CD1 4.33Å; L476-L480 HydrophobicContact CD1-CG 4.22Å; L476-L480 HydrophobicContact CG-CD1 4.11Å; L476-L480 HydrophobicContact CG-CG 4.44Å; L476-L480 WeakPolarHBondContact O-CB 3.44Å; L476-L480 VanDerWaalsContact O-CG 3.29Å; L476-L480 WeakPolarHBondContact O-CG 3.4Å; L476-L480 PolarHBondContact O-N 3.25Å; L476-W801 HydrophobicContact CD1-CH2 3.72Å; L476-W801 HydrophobicContact CD1-CZ3 4.43Å; L476-F807 HydrophobicContact CD1-CE1 3.78Å; L476-F807 HydrophobicContact CD1-CZ 4.33Å; L476-L810 HydrophobicContact CD2-CD2 4.49Å; L476-W840 HydrophobicContact CB-CZ2 4.4Å; L476-W840 HydrophobicContact CD2-CD2 3.98Å; L476-W840 HydrophobicContact CD2-CE3 4.03Å; L476-W840 HydrophobicContact CD2-CH2 4.1Å; L476-W840 HydrophobicContact CD2-CZ2 4.05Å; L476-W840 HydrophobicContact CD2-CZ3 4.09Å |
| 477 | S | 92.2 | Very high | 80 | Confident | 8 Ų | 8 | 33 Ų | 33 | 6% | 0.056 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -56.8 | -40.8 | 175.6 | -53.7 | 0 | 0 | 0 | 0 | 111.6 | L472 E474 S481 W840 | L472-S477 WeakPolarHBondContact O-CB 3.47Å; L472-S477 PolarHBondContact O-OG 3.2Å; E474-S477 WeakPolarHBondContact O-CB 3.42Å; E474-S477 PolarHBondContact O-N 2.9Å; E474-S477 VanDerWaalsContact O-N 3.11Å; S477-S481 WeakPolarHBondContact O-CB 3.39Å; S477-S481 PolarHBondContact O-N 3.46Å; S477-S481 PolarHBondContact O-OG 3.02Å; S477-W840 PolarHBondContact OG-NE1 2.87Å |
| 478 | F | 95.1 | Very high | 83.1 | Confident | 1 Ų | 1 | 29.7 Ų | 29.7 | 0% | 0.004 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -67.2 | -48.1 | 177.9 | -166.5 | -97.9 | 0 | 0 | 0 | 111.8 | F300 L303 F307 F322 I325 L326 S389 E474 P475 L476 L480 S481 V482 | F300-F478 AromaticContact CD2-CE1 3.83Å; F300-F478 HydrophobicContact CD2-CE1 3.83Å; F300-F478 AromaticContact CD2-CZ 3.96Å; F300-F478 HydrophobicContact CD2-CZ 3.96Å; F300-F478 HydrophobicContact CE2-CD1 4.34Å; F300-F478 AromaticContact CE2-CE1 3.52Å; F300-F478 HydrophobicContact CE2-CE1 3.52Å; F300-F478 HydrophobicContact CE2-CZ 4.14Å; L303-F478 HydrophobicContact CD2-CD2 3.58Å; L303-F478 HydrophobicContact CD2-CE1 4.46Å; L303-F478 HydrophobicContact CD2-CE2 3.46Å; L303-F478 VanDerWaalsContact CD2-CE2 3.46Å; L303-F478 HydrophobicContact CD2-CG 4.12Å; L303-F478 HydrophobicContact CD2-CZ 3.94Å; F307-F478 HydrophobicContact CE2-CB 3.88Å; F307-F478 HydrophobicContact CE2-CG 4.15Å; F307-F478 HydrophobicContact CZ-CB 3.88Å; F307-F478 HydrophobicContact CZ-CG 4.28Å; F322-F478 HydrophobicContact CD1-CD2 4.38Å; F322-F478 HydrophobicContact CD2-CB 4.29Å; F322-F478 AromaticContact CD2-CD2 3.7Å; F322-F478 HydrophobicContact CD2-CD2 3.7Å; F322-F478 HydrophobicContact CD2-CG 4.43Å; F322-F478 HydrophobicContact CE1-CD2 4.23Å; F322-F478 HydrophobicContact CE2-CB 3.51Å; F322-F478 AromaticContact CE2-CD2 3.56Å; F322-F478 HydrophobicContact CE2-CD2 3.56Å; F322-F478 HydrophobicContact CE2-CG 4.01Å; F322-F478 HydrophobicContact CG-CD2 4.11Å; F322-F478 HydrophobicContact CZ-CB 3.96Å; F322-F478 AromaticContact CZ-CD2 3.82Å; F322-F478 HydrophobicContact CZ-CD2 3.82Å; F322-F478 HydrophobicContact CZ-CG 4.38Å; I325-F478 HydrophobicContact CB-CE2 4.47Å; I325-F478 HydrophobicContact CG2-CE2 4.18Å; I325-F478 HydrophobicContact CG2-CZ 3.8Å; L326-F478 HydrophobicContact CD2-CD2 4.43Å; L326-F478 HydrophobicContact CD2-CE2 3.92Å; L326-F478 HydrophobicContact CD2-CZ 4.3Å; L326-F478 HydrophobicContact CG-CE2 4.02Å; S389-F478 WeakPolarHBondContact OG-CD1 3.25Å; E474-F478 PolarHBondContact O-N 3.41Å; E474-F478 VanDerWaalsContact O-N 3.08Å; P475-F478 PolarHBondContact O-N 2.9Å; L476-F478 PolarHBondContact O-N 3.16Å; F478-L480 VanDerWaalsContact C-N 3.33Å; F478-L480 PolarHBondContact O-N 2.89Å; F478-S481 PolarHBondContact O-N 3.33Å; F478-V482 HydrophobicContact CD1-CG2 3.88Å; F478-V482 HydrophobicContact CE1-CG2 3.44Å; F478-V482 VanDerWaalsContact CE1-CG2 3.44Å; F478-V482 HydrophobicContact CE2-CG2 4.47Å; F478-V482 HydrophobicContact CZ-CG2 3.79Å; F478-V482 WeakPolarHBondContact O-CG2 3.39Å; F478-V482 PolarHBondContact O-N 3.15Å |
| 479 | A | 94.7 | Very high | 85.9 | Confident | 0 Ų | 0 | 25.3 Ų | 25.3 | 0% | 0 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | P475 L476 V482 G483 F798 W801 | P475-A479 WeakPolarHBondContact O-CB 3.15Å; P475-A479 PolarHBondContact O-N 3.36Å; L476-A479 PolarHBondContact O-N 2.9Å; A479-V482 PolarHBondContact O-N 3.31Å; A479-G483 PolarHBondContact O-N 3.29Å; A479-F798 WeakPolarHBondContact O-CE2 3.47Å; A479-W801 HydrophobicContact CB-CH2 4.01Å; A479-W801 HydrophobicContact CB-CZ3 4.28Å |
| 480 | L | 94.1 | Very high | 88.5 | Confident | 5 Ų | 5 | 20.1 Ų | 20.1 | 3% | 0.026 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -60.2 | -45.9 | 174.1 | -70 | 174 | 0 | 0 | 0 | 112 | L476 F478 V482 G483 E484 F798 L802 W840 V844 | L476-L480 HydrophobicContact CD1-CD1 4.33Å; L476-L480 HydrophobicContact CD1-CG 4.22Å; L476-L480 HydrophobicContact CG-CD1 4.11Å; L476-L480 HydrophobicContact CG-CG 4.44Å; L476-L480 WeakPolarHBondContact O-CB 3.44Å; L476-L480 VanDerWaalsContact O-CG 3.29Å; L476-L480 WeakPolarHBondContact O-CG 3.4Å; L476-L480 PolarHBondContact O-N 3.25Å; F478-L480 VanDerWaalsContact C-N 3.33Å; F478-L480 PolarHBondContact O-N 2.89Å; L480-V482 PolarHBondContact O-N 3.44Å; L480-G483 PolarHBondContact O-N 2.94Å; L480-E484 WeakPolarHBondContact O-CB 3.38Å; L480-E484 PolarHBondContact O-N 2.83Å; L480-F798 HydrophobicContact CD2-CZ 4.03Å; L480-L802 HydrophobicContact CD2-CD2 3.85Å; L480-W840 HydrophobicContact CD1-CB 3.77Å; L480-W840 HydrophobicContact CD1-CG 3.8Å; L480-V844 HydrophobicContact CD2-CG2 4.06Å |
| 481 | S | 94.8 | Very high | 90.5 | Very high | 27 Ų | 27 | 18.4 Ų | 18.4 | 19% | 0.189 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.8 | -39.1 | 179.5 | -57.7 | 0 | 0 | 0 | 0 | 112.4 | S477 F478 L485 | S477-S481 WeakPolarHBondContact O-CB 3.39Å; S477-S481 PolarHBondContact O-N 3.46Å; S477-S481 PolarHBondContact O-OG 3.02Å; F478-S481 PolarHBondContact O-N 3.33Å; S481-L485 VanDerWaalsContact O-CB 3.27Å; S481-L485 WeakPolarHBondContact O-CB 3.45Å; S481-L485 PolarHBondContact O-N 3.08Å |
| 482 | V | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -69.4 | -42.1 | 176.2 | 174 | 0 | 0 | 0 | 0 | 111.1 | L326 L329 L386 F478 A479 L480 L485 Y486 | L326-V482 HydrophobicContact CD2-CG2 3.92Å; L329-V482 HydrophobicContact CD1-CG2 4.46Å; L386-V482 HydrophobicContact CB-CG1 4.17Å; L386-V482 HydrophobicContact CD1-CB 4.42Å; L386-V482 HydrophobicContact CD1-CG1 4.02Å; F478-V482 HydrophobicContact CD1-CG2 3.88Å; F478-V482 HydrophobicContact CE1-CG2 3.44Å; F478-V482 VanDerWaalsContact CE1-CG2 3.44Å; F478-V482 HydrophobicContact CE2-CG2 4.47Å; F478-V482 HydrophobicContact CZ-CG2 3.79Å; F478-V482 WeakPolarHBondContact O-CG2 3.39Å; F478-V482 PolarHBondContact O-N 3.15Å; A479-V482 PolarHBondContact O-N 3.31Å; L480-V482 PolarHBondContact O-N 3.44Å; V482-L485 PolarHBondContact O-N 3.45Å; V482-Y486 HydrophobicContact CG1-CD1 4.15Å; V482-Y486 HydrophobicContact CG1-CD2 4.16Å; V482-Y486 HydrophobicContact CG1-CE1 3.72Å; V482-Y486 HydrophobicContact CG1-CE2 3.74Å; V482-Y486 HydrophobicContact CG1-CG 4.36Å; V482-Y486 VanDerWaalsContact CG1-CZ 3.47Å; V482-Y486 WeakPolarHBondContact O-CD1 3.36Å; V482-Y486 PolarHBondContact O-N 3.05Å |
| 483 | G | 94.6 | Very high | 91.9 | Very high | 3 Ų | 3 | 16.3 Ų | 16.3 | 3% | 0.031 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -59.7 | -46.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | A479 L480 Y486 L487 F847 | A479-G483 PolarHBondContact O-N 3.29Å; L480-G483 PolarHBondContact O-N 2.94Å; G483-Y486 PolarHBondContact O-N 2.92Å; G483-L487 PolarHBondContact O-N 3.3Å; G483-L487 VanDerWaalsContact O-N 3.1Å; G483-F847 WeakPolarHBondContact O-CE2 3.45Å |
| 484 | E | 94.1 | Very high | 91.7 | Very high | 34 Ų | 34 | 13.6 Ų | 13.6 | 16% | 0.159 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -57.1 | -51.6 | 172.8 | -173.9 | -175.7 | 165.6 | 0 | 0 | 111.2 | L480 Y486 L487 T488 R846 | L480-E484 WeakPolarHBondContact O-CB 3.38Å; L480-E484 PolarHBondContact O-N 2.83Å; E484-Y486 VanDerWaalsContact C-N 3.34Å; E484-Y486 PolarHBondContact O-N 2.96Å; E484-L487 PolarHBondContact O-N 3.01Å; E484-T488 PolarHBondContact O-N 3.33Å; E484-T488 PolarHBondContact O-OG1 3.44Å; E484-R846 HydrophobicContact CG-CB 4.49Å; E484-R846 WeakPolarHBondContact OE1-CB 3.46Å; E484-R846 VanDerWaalsContact OE1-CD 3.29Å; E484-R846 WeakPolarHBondContact OE1-CD 3.49Å |
| 485 | L | 93.2 | Very high | 91.3 | Very high | 19 Ų | 19 | 17.2 Ų | 17.2 | 10% | 0.099 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -57.6 | -44 | -179.4 | 175.1 | 62.2 | 0 | 0 | 0 | 112.7 | L329 H330 L333 S481 V482 T488 H489 | L329-L485 HydrophobicContact CB-CD2 3.77Å; H330-L485 HydrophobicContact CB-CD1 3.73Å; H330-L485 HydrophobicContact CB-CD2 4.37Å; L333-L485 HydrophobicContact CD1-CD1 4.44Å; L333-L485 HydrophobicContact CD1-CD2 4.2Å; L333-L485 HydrophobicContact CD1-CG 4.03Å; S481-L485 VanDerWaalsContact O-CB 3.27Å; S481-L485 WeakPolarHBondContact O-CB 3.45Å; S481-L485 PolarHBondContact O-N 3.08Å; V482-L485 PolarHBondContact O-N 3.45Å; L485-T488 WeakPolarHBondContact O-CB 3.34Å; L485-T488 PolarHBondContact O-N 3.3Å; L485-H489 PolarHBondContact O-N 3.34Å; L485-H489 VanDerWaalsContact O-N 3.09Å |
| 486 | Y | 94.2 | Very high | 90.7 | Very high | 2 Ų | 2 | 20.5 Ų | 20.5 | 1% | 0.008 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -69.1 | -39.7 | -178.5 | -72.5 | 6.3 | 0 | 0 | 0 | 111.4 | L333 F382 L386 V482 G483 E484 H489 V490 L791 | L333-Y486 HydrophobicContact CD1-CD1 3.99Å; L333-Y486 HydrophobicContact CD1-CE1 4.1Å; F382-Y486 VanDerWaalsContact C-OH 3.28Å; F382-Y486 VanDerWaalsContact CA-OH 3.27Å; F382-Y486 WeakPolarHBondContact CA-OH 3.27Å; F382-Y486 HydrophobicContact CB-CE1 4.35Å; F382-Y486 HydrophobicContact CB-CE2 4Å; F382-Y486 WeakPolarHBondContact CB-OH 3.49Å; F382-Y486 HydrophobicContact CD1-CE1 4.19Å; F382-Y486 VanDerWaalsContact O-CE2 3.25Å; F382-Y486 WeakPolarHBondContact O-CE2 3.29Å; F382-Y486 PolarHBondContact O-OH 3.04Å; L386-Y486 HydrophobicContact CB-CD2 4.46Å; L386-Y486 HydrophobicContact CB-CE2 3.87Å; L386-Y486 HydrophobicContact CD2-CD2 4.29Å; L386-Y486 HydrophobicContact CD2-CE2 4.48Å; V482-Y486 HydrophobicContact CG1-CD1 4.15Å; V482-Y486 HydrophobicContact CG1-CD2 4.16Å; V482-Y486 HydrophobicContact CG1-CE1 3.72Å; V482-Y486 HydrophobicContact CG1-CE2 3.74Å; V482-Y486 HydrophobicContact CG1-CG 4.36Å; V482-Y486 VanDerWaalsContact CG1-CZ 3.47Å; V482-Y486 WeakPolarHBondContact O-CD1 3.36Å; V482-Y486 PolarHBondContact O-N 3.05Å; G483-Y486 PolarHBondContact O-N 2.92Å; E484-Y486 VanDerWaalsContact C-N 3.34Å; E484-Y486 PolarHBondContact O-N 2.96Å; Y486-H489 PolarHBondContact O-N 3.19Å; Y486-V490 WeakPolarHBondContact O-CG2 3.44Å; Y486-V490 PolarHBondContact O-N 3.46Å; Y486-L791 HydrophobicContact CD1-CD1 4.29Å; Y486-L791 HydrophobicContact CD2-CD2 3.77Å; Y486-L791 HydrophobicContact CE2-CD2 4.01Å; Y486-L791 HydrophobicContact CG-CD1 4.17Å; Y486-L791 HydrophobicContact CG-CD2 4.06Å |
| 487 | L | 93.9 | Very high | 90 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62 | -44.9 | 173.2 | 177.7 | 60.1 | 0 | 0 | 0 | 111.5 | G483 E484 H489 V490 C491 V795 F847 Q850 L851 L854 | G483-L487 PolarHBondContact O-N 3.3Å; G483-L487 VanDerWaalsContact O-N 3.1Å; E484-L487 PolarHBondContact O-N 3.01Å; L487-H489 PolarHBondContact O-N 2.93Å; L487-V490 PolarHBondContact O-N 2.87Å; L487-C491 WeakPolarHBondContact O-CB 3.42Å; L487-C491 PolarHBondContact O-N 3.31Å; L487-C491 PolarHBondContact O-SG 3.16Å; L487-C491 VanDerWaalsContact O-SG 3.35Å; L487-V795 HydrophobicContact CB-CG2 4.28Å; L487-V795 HydrophobicContact CD1-CG1 3.94Å; L487-V795 HydrophobicContact CD1-CG2 4.04Å; L487-F847 HydrophobicContact CB-CD2 4.21Å; L487-F847 HydrophobicContact CB-CE2 3.84Å; L487-F847 HydrophobicContact CD2-CD1 4.12Å; L487-F847 HydrophobicContact CD2-CD2 3.66Å; L487-F847 HydrophobicContact CD2-CE1 4.05Å; L487-F847 HydrophobicContact CD2-CE2 3.58Å; L487-F847 HydrophobicContact CD2-CG 3.92Å; L487-F847 HydrophobicContact CD2-CZ 3.78Å; L487-F847 WeakPolarHBondContact CD2-O 3.37Å; L487-F847 HydrophobicContact CG-CE2 4.33Å; L487-Q850 HydrophobicContact CD2-CB 3.75Å; L487-Q850 HydrophobicContact CG-CB 3.99Å; L487-L851 HydrophobicContact CD2-CB 4.08Å; L487-L854 HydrophobicContact CD1-CD2 3.62Å |
| 488 | T | 91.8 | Very high | 89.2 | Confident | 51 Ų | 51 | 24.3 Ų | 24.3 | 31% | 0.313 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -53.5 | -42.4 | 174.7 | -55.9 | 0 | 0 | 0 | 0 | 111.4 | E484 L485 R492 Q850 | E484-T488 PolarHBondContact O-N 3.33Å; E484-T488 PolarHBondContact O-OG1 3.44Å; L485-T488 WeakPolarHBondContact O-CB 3.34Å; L485-T488 PolarHBondContact O-N 3.3Å; T488-R492 WeakPolarHBondContact O-CB 3.32Å; T488-R492 PolarHBondContact O-N 3.42Å; T488-Q850 VanDerWaalsContact CB-OE1 3.23Å; T488-Q850 PolarHBondContact OG1-NE2 3.13Å; T488-Q850 PolarHBondContact OG1-OE1 3.19Å |
| 489 | H | 89.6 | Confident | 87.3 | Confident | 8 Ų | 8 | 26 Ų | 26 | 4% | 0.037 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -71 | -43.3 | -179 | -163.8 | -96.7 | 0 | 0 | 0 | 112.8 | L333 T340 L485 Y486 L487 C491 R492 Q493 L791 | L333-H489 VanDerWaalsContact C-NE2 3.3Å; L333-H489 HydrophobicContact CD1-CB 4.39Å; L333-H489 PolarHBondContact O-CE1 3.39Å; L333-H489 PolarHBondContact O-NE2 3.44Å; T340-H489 PolarHBondContact OG1-CE1 2.75Å; L485-H489 PolarHBondContact O-N 3.34Å; L485-H489 VanDerWaalsContact O-N 3.09Å; Y486-H489 PolarHBondContact O-N 3.19Å; L487-H489 PolarHBondContact O-N 2.93Å; H489-C491 PolarHBondContact O-N 3.22Å; H489-R492 WeakPolarHBondContact O-CB 3Å; H489-R492 PolarHBondContact O-N 3.01Å; H489-Q493 VanDerWaalsContact CE1-CD 3.48Å; H489-Q493 PolarHBondContact CE1-NE2 2.91Å; H489-Q493 WeakPolarHBondContact O-CG 3.28Å; H489-Q493 PolarHBondContact O-N 3.11Å; H489-L791 HydrophobicContact CB-CD1 4.23Å |
| 490 | V | 90.2 | Very high | 85.1 | Confident | 0 Ų | 0 | 33.5 Ų | 33.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -56.5 | -49.8 | 173 | 169.7 | 0 | 0 | 0 | 0 | 110.6 | Y486 L487 R492 Q493 I494 L789 L791 F792 V795 L854 | Y486-V490 WeakPolarHBondContact O-CG2 3.44Å; Y486-V490 PolarHBondContact O-N 3.46Å; L487-V490 PolarHBondContact O-N 2.87Å; V490-R492 VanDerWaalsContact C-N 3.32Å; V490-R492 PolarHBondContact O-N 3.1Å; V490-Q493 PolarHBondContact O-N 3.15Å; V490-I494 HydrophobicContact CG1-CD1 3.74Å; V490-I494 WeakPolarHBondContact O-CD1 3.35Å; V490-I494 VanDerWaalsContact O-CG1 3.31Å; V490-I494 WeakPolarHBondContact O-CG1 3.18Å; V490-I494 PolarHBondContact O-N 3.06Å; V490-L789 HydrophobicContact CG1-CD1 4.25Å; V490-L791 HydrophobicContact CG2-CB 3.53Å; V490-F792 HydrophobicContact CG1-CD2 4.31Å; V490-V795 HydrophobicContact CB-CG2 4.43Å; V490-V795 HydrophobicContact CG2-CG2 4.01Å; V490-L854 HydrophobicContact CG1-CD1 4.22Å; V490-L854 HydrophobicContact CG1-CD2 4.31Å |
| 491 | C | 89.7 | Confident | 82.7 | Confident | 16 Ų | 16 | 38.1 Ų | 38.1 | 11% | 0.108 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.3 | -41.9 | 177.1 | -69.1 | 0 | 0 | 0 | 0 | 112 | L487 H489 I494 Y495 Q850 | L487-C491 WeakPolarHBondContact O-CB 3.42Å; L487-C491 PolarHBondContact O-N 3.31Å; L487-C491 PolarHBondContact O-SG 3.16Å; L487-C491 VanDerWaalsContact O-SG 3.35Å; H489-C491 PolarHBondContact O-N 3.22Å; C491-I494 PolarHBondContact O-N 3.07Å; C491-Y495 VanDerWaalsContact O-CB 3.28Å; C491-Y495 WeakPolarHBondContact O-CB 3.34Å; C491-Y495 PolarHBondContact O-N 3.25Å; C491-Q850 PolarHBondContact SG-O 2.84Å; C491-Q850 VanDerWaalsContact SG-O 3.41Å |
| 492 | R | 86.4 | Confident | 80.2 | Confident | 84 Ų | 84 | 38.2 Ų | 38.2 | 32% | 0.317 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -62 | -44 | 176.2 | 176.2 | 177.9 | 172.9 | -106.7 | 2.2 | 111.8 | L334 D337 T488 H489 V490 Y495 C496 | L334-R492 VanDerWaalsContact CD2-NH1 3.26Å; D337-R492 IonicContact OD1-NH1 3.54Å; D337-R492 PolarHBondContact OD1-NH1 3.26Å; T488-R492 WeakPolarHBondContact O-CB 3.32Å; T488-R492 PolarHBondContact O-N 3.42Å; H489-R492 WeakPolarHBondContact O-CB 3Å; H489-R492 PolarHBondContact O-N 3.01Å; V490-R492 VanDerWaalsContact C-N 3.32Å; V490-R492 PolarHBondContact O-N 3.1Å; R492-Y495 PolarHBondContact O-N 3.27Å; R492-C496 WeakPolarHBondContact O-CB 3.5Å; R492-C496 PolarHBondContact O-N 2.89Å; R492-C496 PolarHBondContact O-SG 2.79Å |
| 493 | Q | 85.5 | Confident | 77.7 | Confident | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65.8 | -39.1 | -179.7 | -73.2 | -178.1 | -34.5 | 0 | 0 | 112.7 | T340 V341 H489 V490 R497 L789 | T340-Q493 VanDerWaalsContact CB-NE2 3.3Å; T340-Q493 PolarHBondContact OG1-NE2 3.36Å; V341-Q493 VanDerWaalsContact CG2-NE2 3.27Å; H489-Q493 VanDerWaalsContact CE1-CD 3.48Å; H489-Q493 PolarHBondContact CE1-NE2 2.91Å; H489-Q493 WeakPolarHBondContact O-CG 3.28Å; H489-Q493 PolarHBondContact O-N 3.11Å; V490-Q493 PolarHBondContact O-N 3.15Å; Q493-R497 PolarHBondContact O-N 2.95Å; Q493-L789 HydrophobicContact CB-CD2 4.05Å |
| 494 | I | 83.8 | Confident | 74.8 | Confident | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -65.2 | -48.8 | 173.4 | -66.2 | 162.1 | 0 | 0 | 0 | 109.3 | V490 C491 C496 R497 L498 L785 F786 L789 L854 | V490-I494 HydrophobicContact CG1-CD1 3.74Å; V490-I494 WeakPolarHBondContact O-CD1 3.35Å; V490-I494 VanDerWaalsContact O-CG1 3.31Å; V490-I494 WeakPolarHBondContact O-CG1 3.18Å; V490-I494 PolarHBondContact O-N 3.06Å; C491-I494 PolarHBondContact O-N 3.07Å; I494-C496 VanDerWaalsContact C-N 3.34Å; I494-C496 PolarHBondContact O-N 3.13Å; I494-R497 PolarHBondContact O-N 2.85Å; I494-L498 HydrophobicContact CG2-CD1 3.69Å; I494-L498 HydrophobicContact CG2-CG 4.33Å; I494-L498 WeakPolarHBondContact O-CB 3.27Å; I494-L498 PolarHBondContact O-N 3.34Å; I494-L785 HydrophobicContact CG1-CD2 3.94Å; I494-F786 HydrophobicContact CD1-CD1 4.32Å; I494-F786 HydrophobicContact CD1-CE1 3.55Å; I494-F786 HydrophobicContact CD1-CZ 4.35Å; I494-F786 HydrophobicContact CG1-CE1 4.1Å; I494-L789 HydrophobicContact CD1-CD1 4Å; I494-L789 HydrophobicContact CG1-CD1 3.7Å; I494-L854 HydrophobicContact CD1-CD1 3.26Å |
| 495 | Y | 81.2 | Confident | 71.9 | Confident | 98 Ų | 98 | 53.1 Ų | 53.1 | 38% | 0.384 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.5 | -42.9 | 178.3 | -178.5 | -87.2 | 0 | 0 | 0 | 112.3 | C491 R492 R497 G499 M502 | C491-Y495 VanDerWaalsContact O-CB 3.28Å; C491-Y495 WeakPolarHBondContact O-CB 3.34Å; C491-Y495 PolarHBondContact O-N 3.25Å; R492-Y495 PolarHBondContact O-N 3.27Å; Y495-R497 PolarHBondContact O-N 3.05Å; Y495-G499 WeakPolarHBondContact O-CA 3.38Å; Y495-G499 PolarHBondContact O-N 3.24Å; Y495-M502 HydrophobicContact CD2-CB 3.74Å; Y495-M502 HydrophobicContact CE2-CB 4.37Å; Y495-M502 WeakPolarHBondContact CE2-O 3.49Å |
| 496 | C | 80 | Confident | 68.8 | Low | 72 Ų | 72 | 61 Ų | 61 | 49% | 0.486 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -65.4 | -26.4 | -179.2 | -69.2 | 0 | 0 | 0 | 0 | 113.2 | R492 I494 | R492-C496 WeakPolarHBondContact O-CB 3.5Å; R492-C496 PolarHBondContact O-N 2.89Å; R492-C496 PolarHBondContact O-SG 2.79Å; I494-C496 VanDerWaalsContact C-N 3.34Å; I494-C496 PolarHBondContact O-N 3.13Å |
| 497 | R | 76.9 | Confident | 65.6 | Low | 84 Ų | 84 | 63.6 Ų | 63.6 | 32% | 0.317 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -99.9 | -34.6 | -177.1 | -70.2 | -173.8 | 178.5 | 92.4 | -2.7 | 113.5 | V341 Q493 I494 Y495 L785 | V341-R497 VanDerWaalsContact CG2-NH2 3.26Å; Q493-R497 PolarHBondContact O-N 2.95Å; I494-R497 PolarHBondContact O-N 2.85Å; Y495-R497 PolarHBondContact O-N 3.05Å; R497-L785 HydrophobicContact CB-CD1 3.32Å; R497-L785 HydrophobicContact CG-CD1 3.95Å |
| 498 | L | 73.8 | Confident | 62.3 | Low | 7 Ų | 7 | 72.8 Ų | 72.8 | 4% | 0.037 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -91.9 | -15.2 | 176.3 | -62.9 | -178.8 | 0 | 0 | 0 | 113 | I494 Q500 L785 | I494-L498 HydrophobicContact CG2-CD1 3.69Å; I494-L498 HydrophobicContact CG2-CG 4.33Å; I494-L498 WeakPolarHBondContact O-CB 3.27Å; I494-L498 PolarHBondContact O-N 3.34Å; L498-Q500 VanDerWaalsContact C-N 3.25Å; L498-Q500 PolarHBondContact O-N 2.86Å; L498-L785 HydrophobicContact CG-CD1 4.5Å |
| 499 | G | 55.8 | Low | 59.1 | Low | 37 Ų | 37 | 76.5 Ų | 76.5 | 38% | 0.381 | 40% | 0.398 | S | S | . | . | trans | 64.7 | -36.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 120.2 | Y495 | Y495-G499 WeakPolarHBondContact O-CA 3.38Å; Y495-G499 PolarHBondContact O-N 3.24Å | ||
| 500 | Q | 48.7 | Very low | 56 | Low | 157 Ų | 157 | 82.9 Ų | 82.9 | 73% | 0.734 | 43% | 0.432 | S | S | * | . | S | Bend | trans | -130.6 | -10.2 | -163.2 | -70.5 | -173.8 | -3.4 | 0 | 0 | 115.3 | L498 | L498-Q500 VanDerWaalsContact C-N 3.25Å; L498-Q500 PolarHBondContact O-N 2.86Å |
| 501 | F | 44.6 | Very low | 53 | Low | 101 Ų | 101 | 90.1 Ų | 90.1 | 44% | 0.443 | 47% | 0.471 | S | S | . | . | S | Bend | trans | -134.4 | -3.1 | -169 | -61 | -93.2 | 0 | 0 | 0 | 116.1 | E503 D774 N776 | F501-E503 PolarHBondContact O-N 2.98Å; F501-E503 VanDerWaalsContact O-N 3.13Å; F501-D774 VanDerWaalsContact CE2-OD1 3.29Å; F501-D774 WeakPolarHBondContact CE2-OD1 3.47Å; F501-N776 WeakPolarHBondContact CB-ND2 3.24Å; F501-N776 WeakPolarHBondContact CD2-ND2 3.45Å; F501-N776 WeakPolarHBondContact CE2-ND2 3.46Å; F501-N776 WeakPolarHBondContact CG-ND2 3.4Å |
| 502 | M | 41.9 | Very low | 50 | Low | 30 Ų | 30 | 94.9 Ų | 94.9 | 15% | 0.148 | 50% | 0.504 | C | S | . | . | S | Bend | trans | -79.3 | 72.1 | 155.4 | -82.4 | -91.1 | -89.6 | 0 | 0 | 107.4 | Y495 D504 P853 S857 | Y495-M502 HydrophobicContact CD2-CB 3.74Å; Y495-M502 HydrophobicContact CE2-CB 4.37Å; Y495-M502 WeakPolarHBondContact CE2-O 3.49Å; M502-D504 PolarHBondContact O-N 2.92Å; M502-P853 HydrophobicContact CE-CB 3.86Å; M502-P853 HydrophobicContact SD-CB 3.72Å; M502-S857 WeakPolarHBondContact CG-OG 3.5Å; M502-S857 PolarHBondContact SD-OG 3.3Å |
| 503 | E | 41.1 | Very low | 47.1 | Very low | 132 Ų | 132 | 96.8 Ų | 96.8 | 62% | 0.617 | 53% | 0.525 | S | S | * | . | trans | -62.7 | 135.8 | 176.8 | -83.8 | -172.8 | 143.4 | 0 | 0 | 110.8 | F501 R1039 | F501-E503 PolarHBondContact O-N 2.98Å; F501-E503 VanDerWaalsContact O-N 3.13Å; E503-R1039 IonicContact OE2-NH2 3.95Å; E503-R1039 PolarHBondContact OE2-NH2 2.88Å | ||
| 504 | D | 33.9 | Very low | 44.1 | Very low | 119 Ų | 119 | 102.5 Ų | 102.5 | 64% | 0.636 | 56% | 0.563 | S | S | * | * | trans | -44 | 138.8 | 176.7 | -90.6 | -40.5 | 0 | 0 | 0 | 111.1 | M502 K506 | M502-D504 PolarHBondContact O-N 2.92Å; D504-K506 PolarHBondContact O-N 3.02Å | ||
| 505 | P | 33.1 | Very low | 41.2 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 64% | 0.636 | 60% | 0.604 | S | S | * | * | S | Bend | trans | -60.4 | 107.4 | 170.6 | 25.3 | -29.5 | 0 | 0 | 0 | 107.2 | ||
| 506 | K | 28.2 | Very low | 38.5 | Very low | 184 Ų | 184 | 114 Ų | 114 | 80% | 0.8 | 62% | 0.623 | S | S | * | * | trans | 93.3 | 72.4 | -179.9 | -50.9 | 168.7 | -177 | -179.7 | 0 | 115.2 | D504 | D504-K506 PolarHBondContact O-N 3.02Š| ||
| 507 | G | 26.5 | Very low | 36 | Very low | 57 Ų | 57 | 116.2 Ų | 116.2 | 59% | 0.588 | 64% | 0.636 | S | S | * | * | trans | -120 | 117 | 152 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 508 | K | 24.9 | Very low | 33.5 | Very low | 193 Ų | 193 | 116.5 Ų | 116.5 | 84% | 0.839 | 65% | 0.651 | S | S | * | * | trans | -58.8 | 138.6 | 172.7 | -74.2 | -179.5 | 176.7 | -177.6 | 0 | 109.5 | N510 | K508-N510 PolarHBondContact O-N 3.26Å; K508-N510 VanDerWaalsContact O-N 3.07Å | ||
| 509 | P | 26.1 | Very low | 31.2 | Very low | 130 Ų | 130 | 124 Ų | 124 | 84% | 0.844 | 69% | 0.692 | S | S | * | * | trans | -65.5 | 113.3 | -175.3 | 27.5 | -32.3 | 0 | 0 | 0 | 108.8 | ||||
| 510 | N | 23.6 | Very low | 29.8 | Very low | 141 Ų | 141 | 130.3 Ų | 130.3 | 75% | 0.754 | 72% | 0.716 | S | S | * | * | trans | -86.3 | 113 | 171.2 | -79.9 | -31.1 | 0 | 0 | 0 | 108.4 | K508 | K508-N510 PolarHBondContact O-N 3.26Å; K508-N510 VanDerWaalsContact O-N 3.07Å | ||
| 511 | N | 27.7 | Very low | 28.7 | Very low | 152 Ų | 152 | 128.3 Ų | 128.3 | 81% | 0.813 | 72% | 0.719 | S | S | * | * | trans | 59.4 | 72.4 | 151.1 | -57.8 | -8.2 | 0 | 0 | 0 | 116.7 | ||||
| 512 | S | 25.6 | Very low | 27.8 | Very low | 116 Ų | 116 | 132.5 Ų | 132.5 | 81% | 0.811 | 74% | 0.74 | S | S | * | * | trans | -87.8 | 111.4 | 148.4 | 60 | 0 | 0 | 0 | 0 | 108.4 | C514 | S512-C514 PolarHBondContact O-N 3.17Š| ||
| 513 | V | 27 | Very low | 27.1 | Very low | 124 Ų | 124 | 138.6 Ų | 138.6 | 75% | 0.752 | 77% | 0.773 | S | S | * | * | trans | -39.6 | 124.8 | 173.7 | 174.6 | 0 | 0 | 0 | 0 | 111.3 | F515 | V513-F515 PolarHBondContact O-N 3.18Å; V513-F515 VanDerWaalsContact O-N 3.08Å | ||
| 514 | C | 22.6 | Very low | 26.6 | Very low | 120 Ų | 120 | 137.1 Ų | 137.1 | 81% | 0.811 | 78% | 0.775 | S | S | * | * | trans | -55.8 | 107.7 | 172.3 | -62.9 | 0 | 0 | 0 | 0 | 109.8 | S512 D516 | S512-C514 PolarHBondContact O-N 3.17Å; C514-D516 PolarHBondContact O-N 3.29Å | ||
| 515 | F | 22.8 | Very low | 26.3 | Very low | 194 Ų | 194 | 138.7 Ų | 138.7 | 85% | 0.851 | 78% | 0.783 | S | S | * | * | trans | -77.6 | 108.6 | 156.3 | -90 | -88.1 | 0 | 0 | 0 | 107 | V513 P517 | V513-F515 PolarHBondContact O-N 3.18Å; V513-F515 VanDerWaalsContact O-N 3.08Å; F515-P517 WeakPolarHBondContact O-CD 3.09Å | ||
| 516 | D | 24.8 | Very low | 25.9 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 80% | 0.796 | S | S | * | * | trans | -60.1 | 110.7 | 170.9 | -109.2 | -34 | 0 | 0 | 0 | 109.2 | C514 S518 | C514-D516 PolarHBondContact O-N 3.29Å; D516-S518 VanDerWaalsContact C-N 3.3Å; D516-S518 PolarHBondContact O-N 3.21Å | ||
| 517 | P | 25.7 | Very low | 25.9 | Very low | 119 Ų | 119 | 141 Ų | 141 | 77% | 0.773 | 80% | 0.799 | S | S | * | * | trans | -93.4 | 67.3 | 178.4 | 34.8 | -22.8 | 0 | 0 | 0 | 108.2 | F515 | F515-P517 WeakPolarHBondContact O-CD 3.09Š| ||
| 518 | S | 25.5 | Very low | 25.8 | Very low | 90 Ų | 90 | 146.1 Ų | 146.1 | 63% | 0.629 | 81% | 0.807 | S | S | * | * | trans | -110 | 84.8 | 169.4 | 61.7 | 0 | 0 | 0 | 0 | 108.4 | D516 | D516-S518 VanDerWaalsContact C-N 3.3Å; D516-S518 PolarHBondContact O-N 3.21Å | ||
| 519 | N | 25.4 | Very low | 25.9 | Very low | 165 Ų | 165 | 145 Ų | 145 | 88% | 0.882 | 81% | 0.808 | S | S | * | * | trans | 167.8 | 70.1 | 153.2 | -83.6 | -20.9 | 0 | 0 | 0 | 109.1 | ||||
| 520 | L | 26.7 | Very low | 26 | Very low | 169 Ų | 169 | 143.7 Ų | 143.7 | 89% | 0.885 | 80% | 0.8 | S | S | * | * | trans | -108.3 | 100.4 | 160.7 | -84.2 | 164.8 | 0 | 0 | 0 | 107.4 | ||||
| 521 | S | 25.8 | Very low | 26 | Very low | 114 Ų | 114 | 142.5 Ų | 142.5 | 80% | 0.797 | 80% | 0.802 | S | S | * | * | trans | -58 | 132.2 | 171.8 | 55.2 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 522 | E | 25 | Very low | 25.9 | Very low | 189 Ų | 189 | 142.6 Ų | 142.6 | 88% | 0.883 | 80% | 0.803 | S | S | * | * | trans | -44.6 | 127 | 175.4 | -60.9 | 168.3 | 156.8 | 0 | 0 | 112.9 | ||||
| 523 | N | 26.5 | Very low | 26 | Very low | 159 Ų | 159 | 146.3 Ų | 146.3 | 85% | 0.85 | 81% | 0.808 | S | S | * | * | trans | -133.2 | 109.1 | 154.2 | -145.9 | -6.3 | 0 | 0 | 0 | 108.2 | ||||
| 524 | P | 31.9 | Very low | 26.4 | Very low | 100 Ų | 100 | 145.3 Ų | 145.3 | 65% | 0.649 | 80% | 0.804 | S | S | * | * | trans | -92.4 | 111.1 | -169.9 | 33.5 | -28.5 | 0 | 0 | 0 | 109.9 | ||||
| 525 | N | 26.3 | Very low | 26.6 | Very low | 152 Ų | 152 | 148.3 Ų | 148.3 | 81% | 0.813 | 81% | 0.811 | S | S | * | * | trans | 179.9 | 85.6 | 151.7 | -97.5 | -30.2 | 0 | 0 | 0 | 110.7 | ||||
| 526 | C | 25.3 | Very low | 26.5 | Very low | 135 Ų | 135 | 146.3 Ų | 146.3 | 91% | 0.912 | 81% | 0.808 | S | S | * | * | trans | -158.7 | 115.9 | 142.8 | -101.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 527 | K | 27.2 | Very low | 26.5 | Very low | 197 Ų | 197 | 144 Ų | 144 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | trans | -76.5 | 121.9 | -172.8 | -74.2 | 173.8 | 175.1 | 174.9 | 0 | 110.8 | ||||
| 528 | H | 25.2 | Very low | 26.4 | Very low | 164 Ų | 164 | 146.6 Ų | 146.6 | 76% | 0.759 | 81% | 0.811 | S | S | * | * | trans | 3.2 | 123.6 | 141.6 | -70.8 | -85.2 | 0 | 0 | 0 | 118.4 | ||||
| 529 | I | 26.3 | Very low | 26.5 | Very low | 168 Ų | 168 | 148.3 Ų | 148.3 | 86% | 0.862 | 82% | 0.817 | S | S | * | * | -142.8 | 107.6 | 118.6 | -57.2 | -174.8 | 0 | 0 | 0 | 107.5 | |||||
| 530 | P | 29.3 | Very low | 26.3 | Very low | 103 Ų | 103 | 145 Ų | 145 | 67% | 0.669 | 81% | 0.807 | S | S | * | * | trans | -93.1 | 136.3 | 177.8 | 34 | -27.2 | 0 | 0 | 0 | 110.8 | ||||
| 531 | S | 24.2 | Very low | 26.1 | Very low | 116 Ų | 116 | 142 Ų | 142 | 81% | 0.811 | 80% | 0.8 | S | S | * | * | trans | -129.2 | 65.6 | 168 | 50.3 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 532 | D | 25.2 | Very low | 26.2 | Very low | 155 Ų | 155 | 143.7 Ų | 143.7 | 83% | 0.829 | 81% | 0.806 | S | S | * | * | trans | -133.7 | 112.3 | 167.4 | -83 | -39.9 | 0 | 0 | 0 | 107.7 | ||||
| 533 | Q | 27.1 | Very low | 26.1 | Very low | 194 Ų | 194 | 143 Ų | 143 | 91% | 0.907 | 80% | 0.803 | S | S | * | * | trans | -144.2 | 145.2 | 146.9 | -91.1 | -159.6 | -8 | 0 | 0 | 111.2 | ||||
| 534 | P | 35.8 | Very low | 26 | Very low | 103 Ų | 103 | 143 Ų | 143 | 67% | 0.669 | 80% | 0.797 | S | S | * | * | trans | -111.1 | 137.5 | -146.9 | 30.3 | -13.4 | 0 | 0 | 0 | 112.1 | L536 | P534-L536 PolarHBondContact O-N 3.16Š| ||
| 535 | L | 26 | Very low | 25.9 | Very low | 183 Ų | 183 | 144.5 Ų | 144.5 | 96% | 0.958 | 81% | 0.807 | S | S | * | * | trans | -81.6 | 88 | 173.5 | -73 | 169.5 | 0 | 0 | 0 | 110.2 | ||||
| 536 | L | 22 | Very low | 25.8 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 79% | 0.791 | 81% | 0.807 | S | S | * | * | trans | -55.8 | 128.9 | 151.3 | -90.7 | 141.1 | 0 | 0 | 0 | 109.7 | P534 | P534-L536 PolarHBondContact O-N 3.16Š| ||
| 537 | S | 24 | Very low | 26 | Very low | 99 Ų | 99 | 143.6 Ų | 143.6 | 69% | 0.692 | 80% | 0.801 | S | S | * | * | 175.1 | 110.5 | 118.9 | 41.7 | 0 | 0 | 0 | 0 | 111.2 | V539 | S537-V539 PolarHBondContact O-N 3.16Š| |||
| 538 | N | 23.4 | Very low | 25.9 | Very low | 172 Ų | 172 | 141.4 Ų | 141.4 | 92% | 0.92 | 80% | 0.797 | S | S | * | * | trans | -61.5 | 116.5 | 145.2 | -72.7 | -28.4 | 0 | 0 | 0 | 107.3 | ||||
| 539 | V | 27.6 | Very low | 26.2 | Very low | 127 Ų | 127 | 139.5 Ų | 139.5 | 77% | 0.77 | 80% | 0.802 | S | S | * | * | trans | -127.9 | 106.6 | 156.4 | 179 | 0 | 0 | 0 | 0 | 107.7 | S537 | S537-V539 PolarHBondContact O-N 3.16Š| ||
| 540 | S | 21.7 | Very low | 26.2 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 66% | 0.664 | 80% | 0.798 | S | S | * | * | trans | -71.4 | 145.8 | 168.5 | 52.8 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 541 | S | 22.1 | Very low | 26.2 | Very low | 107 Ų | 107 | 143.1 Ų | 143.1 | 75% | 0.748 | 81% | 0.811 | S | S | * | * | trans | 67.9 | 102.8 | 147.9 | -34.1 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 542 | T | 27.4 | Very low | 26.5 | Very low | 149 Ų | 149 | 143.7 Ų | 143.7 | 91% | 0.914 | 81% | 0.81 | S | S | * | * | trans | -135.1 | 113.4 | 149.3 | -12.8 | 0 | 0 | 0 | 0 | 109.1 | ||||
| 543 | E | 23.9 | Very low | 26.6 | Very low | 174 Ų | 174 | 143.7 Ų | 143.7 | 81% | 0.813 | 81% | 0.809 | S | S | * | * | trans | -73 | 147.5 | 178 | -68.7 | 170.9 | 150.5 | 0 | 0 | 111.8 | ||||
| 544 | H | 24.6 | Very low | 27.1 | Very low | 158 Ų | 158 | 139.3 Ų | 139.3 | 73% | 0.731 | 80% | 0.798 | S | S | * | * | trans | 40.3 | 131.3 | 151.3 | -73 | -75.7 | 0 | 0 | 0 | 121 | ||||
| 545 | P | 29.8 | Very low | 26.8 | Very low | 132 Ų | 132 | 141.4 Ų | 141.4 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | -134.2 | 134.9 | 111.1 | 29.3 | -13.9 | 0 | 0 | 0 | 113.6 | |||||
| 546 | E | 24.7 | Very low | 27.1 | Very low | 173 Ų | 173 | 139.9 Ų | 139.9 | 81% | 0.808 | 80% | 0.796 | S | S | * | * | trans | -72 | 142.6 | 171.3 | -58.9 | 167.4 | 143.1 | 0 | 0 | 111.5 | ||||
| 547 | A | 29.2 | Very low | 27.5 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 79% | 0.785 | 80% | 0.796 | S | S | * | * | trans | -168.2 | 87.2 | 154.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 548 | I | 25.3 | Very low | 27.7 | Very low | 152 Ų | 152 | 142.1 Ų | 142.1 | 78% | 0.779 | 80% | 0.795 | S | S | * | * | 32 | 112.8 | 128.4 | -48.7 | 168.9 | 0 | 0 | 0 | 118.4 | |||||
| 549 | S | 30.1 | Very low | 28.1 | Very low | 123 Ų | 123 | 140.7 Ų | 140.7 | 86% | 0.86 | 79% | 0.788 | S | S | * | * | -163.3 | 127.7 | 126.9 | -92.5 | 0 | 0 | 0 | 0 | 112.2 | |||||
| 550 | E | 26.1 | Very low | 28.3 | Very low | 166 Ų | 166 | 141.6 Ų | 141.6 | 78% | 0.776 | 79% | 0.788 | S | S | * | * | trans | -71.7 | 136.7 | -173 | -61 | 155.9 | 139.4 | 0 | 0 | 112.4 | ||||
| 551 | L | 30.7 | Very low | 28.5 | Very low | 181 Ų | 181 | 142.5 Ų | 142.5 | 95% | 0.948 | 80% | 0.795 | S | S | * | * | trans | -139.9 | 109 | 143.8 | -85 | 177.3 | 0 | 0 | 0 | 108.4 | ||||
| 552 | V | 29.3 | Very low | 28.9 | Very low | 129 Ų | 129 | 140.5 Ų | 140.5 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | -62.3 | 132.1 | -177.7 | 173.5 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 553 | N | 28.9 | Very low | 28.8 | Very low | 154 Ų | 154 | 141.5 Ų | 141.5 | 82% | 0.824 | 79% | 0.791 | S | S | * | * | trans | -130.8 | 136.7 | 161.3 | -113 | -17.6 | 0 | 0 | 0 | 108.3 | ||||
| 554 | P | 35.6 | Very low | 29.1 | Very low | 103 Ų | 103 | 141.3 Ų | 141.3 | 67% | 0.669 | 79% | 0.793 | S | S | * | * | trans | -85.5 | 131.7 | -165.6 | 33.4 | -32.7 | 0 | 0 | 0 | 113 | ||||
| 555 | D | 29.7 | Very low | 29.1 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 79% | 0.786 | 80% | 0.798 | S | S | * | * | trans | 32.8 | 118.6 | 131.4 | -54.3 | -27.8 | 0 | 0 | 0 | 120.6 | ||||
| 556 | D | 32.2 | Very low | 28.8 | Very low | 151 Ų | 151 | 143 Ų | 143 | 81% | 0.807 | 80% | 0.8 | S | S | * | * | 152 | 84.5 | 129.8 | -79.1 | -19 | 0 | 0 | 0 | 108.6 | |||||
| 557 | E | 30.4 | Very low | 28.8 | Very low | 168 Ų | 168 | 140.5 Ų | 140.5 | 79% | 0.785 | 80% | 0.797 | S | S | * | * | 82.9 | 108.2 | 90 | -88.1 | -160 | 171.7 | 0 | 0 | 116 | |||||
| 558 | L | 29.8 | Very low | 28.4 | Very low | 128 Ų | 128 | 147 Ų | 147 | 67% | 0.67 | 80% | 0.801 | S | S | * | * | trans | 103 | 121.7 | 130.8 | -66 | 166.7 | 0 | 0 | 0 | 121.9 | ||||
| 559 | D | 31.1 | Very low | 28.5 | Very low | 143 Ų | 143 | 146.2 Ų | 146.2 | 77% | 0.765 | 80% | 0.804 | S | S | * | * | trans | 76.5 | 135.6 | 143.3 | -62.4 | -13.2 | 0 | 0 | 0 | 121.3 | ||||
| 560 | D | 30.9 | Very low | 28.1 | Very low | 146 Ų | 146 | 147.2 Ų | 147.2 | 78% | 0.781 | 80% | 0.8 | S | S | * | * | cis | -167.1 | 125.2 | -27.8 | -178.1 | 8.8 | 0 | 0 | 0 | 102.7 | ||||
| 561 | S | 27 | Very low | 28.2 | Very low | 114 Ų | 114 | 144.5 Ų | 144.5 | 80% | 0.797 | 80% | 0.799 | S | S | * | * | trans | -109.7 | 104 | 177.7 | 57.1 | 0 | 0 | 0 | 0 | 108.3 | ||||
| 562 | G | 29.6 | Very low | 27.8 | Very low | 65 Ų | 65 | 144.6 Ų | 144.6 | 67% | 0.67 | 79% | 0.794 | S | S | * | * | trans | -113.5 | 100.4 | -179.6 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 563 | D | 26.4 | Very low | 27.8 | Very low | 170 Ų | 170 | 147.9 Ų | 147.9 | 91% | 0.909 | 80% | 0.801 | S | S | * | * | trans | -58.1 | 125.7 | 168.3 | -79.8 | -48.7 | 0 | 0 | 0 | 112.8 | ||||
| 564 | I | 29.9 | Very low | 27.6 | Very low | 169 Ų | 169 | 144.8 Ų | 144.8 | 87% | 0.867 | 79% | 0.791 | S | S | * | * | trans | -105.8 | 103.4 | 168.5 | -61.5 | 178.3 | 0 | 0 | 0 | 109.9 | ||||
| 565 | K | 25.3 | Very low | 27 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 83% | 0.83 | 79% | 0.792 | S | S | * | * | trans | -70.6 | 123.8 | 177.6 | -151 | 172.1 | -172.4 | 173.1 | 0 | 110.5 | T567 | K565-T567 PolarHBondContact O-N 3.33Š| ||
| 566 | C | 21.5 | Very low | 26.8 | Very low | 134 Ų | 134 | 146.7 Ų | 146.7 | 91% | 0.905 | 79% | 0.788 | S | S | * | * | trans | -86.7 | 104.8 | 179.5 | -161.9 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 567 | T | 25 | Very low | 26.4 | Very low | 121 Ų | 121 | 144 Ų | 144 | 74% | 0.742 | 78% | 0.781 | S | S | * | * | trans | -87.6 | 123.3 | 175.3 | 35.5 | 0 | 0 | 0 | 0 | 112 | K565 | K565-T567 PolarHBondContact O-N 3.33Š| ||
| 568 | R | 20.7 | Very low | 26.1 | Very low | 231 Ų | 231 | 141.5 Ų | 141.5 | 87% | 0.872 | 78% | 0.777 | S | S | * | * | trans | -50.6 | 132.1 | 160.2 | -100.5 | 170.3 | 164.3 | 167.9 | -4.5 | 111.8 | ||||
| 569 | T | 27.7 | Very low | 25.9 | Very low | 136 Ų | 136 | 140.8 Ų | 140.8 | 83% | 0.834 | 78% | 0.778 | S | S | * | * | trans | -136.1 | 117.6 | 151.6 | 49 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 570 | N | 22.2 | Very low | 25.9 | Very low | 145 Ų | 145 | 141 Ų | 141 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | -78.9 | 143.8 | 168.5 | -69.2 | -31.7 | 0 | 0 | 0 | 110.1 | ||||
| 571 | S | 27.5 | Very low | 25.7 | Very low | 109 Ų | 109 | 140.2 Ų | 140.2 | 76% | 0.762 | 78% | 0.775 | S | S | * | * | trans | 173.6 | 98.5 | 146.2 | 48.4 | 0 | 0 | 0 | 0 | 106.1 | ||||
| 572 | H | 23.3 | Very low | 25.9 | Very low | 183 Ų | 183 | 141.4 Ų | 141.4 | 85% | 0.847 | 77% | 0.773 | S | S | * | * | 34.4 | 97.7 | 82.2 | -91.8 | -83.3 | 0 | 0 | 0 | 112.1 | |||||
| 573 | E | 29.4 | Very low | 25.9 | Very low | 197 Ų | 197 | 146 Ų | 146 | 92% | 0.921 | 78% | 0.777 | S | S | * | * | trans | -155.6 | 115.2 | 139.9 | -111.2 | 166.7 | -153.4 | 0 | 0 | 110.3 | ||||
| 574 | S | 23.6 | Very low | 26 | Very low | 89 Ų | 89 | 144.4 Ų | 144.4 | 62% | 0.622 | 77% | 0.769 | S | S | * | * | trans | -73.6 | 163.8 | 168.4 | 46.5 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 575 | M | 24.2 | Very low | 26.1 | Very low | 139 Ų | 139 | 144 Ų | 144 | 69% | 0.685 | 77% | 0.768 | S | S | * | * | trans | 125.5 | 111.9 | 139.9 | -62.5 | -86.6 | 84.4 | 0 | 0 | 114.2 | ||||
| 576 | H | 24.4 | Very low | 26.1 | Very low | 151 Ų | 151 | 144.1 Ų | 144.1 | 70% | 0.699 | 77% | 0.772 | S | S | * | * | 57.8 | 115.6 | 124.9 | -71.8 | -50.6 | 0 | 0 | 0 | 121.1 | |||||
| 577 | S | 23.9 | Very low | 26.5 | Very low | 95 Ų | 95 | 140.7 Ų | 140.7 | 66% | 0.664 | 76% | 0.759 | S | S | * | * | 98.7 | 146.1 | 107.6 | 70.8 | 0 | 0 | 0 | 0 | 119 | |||||
| 578 | T | 24.3 | Very low | 26.5 | Very low | 115 Ų | 115 | 144.2 Ų | 144.2 | 71% | 0.706 | 77% | 0.766 | S | S | * | * | trans | 81.5 | 99.7 | 150.6 | 39.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 579 | T | 25.1 | Very low | 26.8 | Very low | 113 Ų | 113 | 139.5 Ų | 139.5 | 69% | 0.693 | 76% | 0.763 | S | S | * | * | 43.5 | 120.3 | 116.3 | 54.6 | 0 | 0 | 0 | 0 | 117.2 | |||||
| 580 | D | 31.2 | Very low | 26.5 | Very low | 147 Ų | 147 | 145 Ų | 145 | 79% | 0.786 | 77% | 0.769 | S | S | * | * | -170.1 | 160.4 | 101 | -92.1 | -29.7 | 0 | 0 | 0 | 111.7 | |||||
| 581 | N | 26.8 | Very low | 26.7 | Very low | 130 Ų | 130 | 145.8 Ų | 145.8 | 70% | 0.695 | 77% | 0.773 | S | S | * | * | trans | -67 | 156.1 | -166.4 | -50.3 | -69.4 | 0 | 0 | 0 | 113 | ||||
| 582 | D | 32.2 | Very low | 26.4 | Very low | 140 Ų | 140 | 152.3 Ų | 152.3 | 75% | 0.749 | 78% | 0.78 | S | S | * | * | 168.2 | 122.9 | 109.8 | -79.5 | -29 | 0 | 0 | 0 | 111.4 | |||||
| 583 | E | 28.7 | Very low | 26.4 | Very low | 160 Ų | 160 | 153.6 Ų | 153.6 | 75% | 0.748 | 78% | 0.784 | S | S | * | * | trans | 56.8 | 115.8 | 135.9 | -63.1 | -176.9 | 167.5 | 0 | 0 | 121.4 | ||||
| 584 | D | 27.9 | Very low | 26.1 | Very low | 138 Ų | 138 | 155.7 Ų | 155.7 | 74% | 0.738 | 78% | 0.783 | S | S | * | * | 84.2 | 143 | 126.1 | -61.4 | -17.3 | 0 | 0 | 0 | 122.7 | |||||
| 585 | D | 33.1 | Very low | 26 | Very low | 159 Ų | 159 | 162.4 Ų | 162.4 | 85% | 0.85 | 80% | 0.795 | S | S | * | * | trans | 87.1 | 86.3 | 162 | -69.2 | -22 | 0 | 0 | 0 | 120.1 | G587 | D585-G587 PolarHBondContact O-N 3.44Š| ||
| 586 | E | 25 | Very low | 26 | Very low | 195 Ų | 195 | 167 Ų | 167 | 91% | 0.911 | 81% | 0.806 | S | S | * | * | trans | -59.1 | 108.3 | 150.8 | -71.1 | -172.4 | 152.8 | 0 | 0 | 111.4 | ||||
| 587 | G | 29.1 | Very low | 26.1 | Very low | 62 Ų | 62 | 164.9 Ų | 164.9 | 64% | 0.639 | 81% | 0.809 | S | S | * | * | trans | -147.7 | 84.3 | 172.6 | 0 | 0 | 0 | 0 | 0 | 111.7 | D585 T589 | D585-G587 PolarHBondContact O-N 3.44Å; G587-T589 PolarHBondContact O-N 3.18Å | ||
| 588 | H | 27 | Very low | 26.1 | Very low | 194 Ų | 194 | 165.1 Ų | 165.1 | 90% | 0.898 | 81% | 0.811 | S | S | * | * | trans | -57.6 | 98.7 | -177.9 | -77.4 | -66.6 | 0 | 0 | 0 | 114.2 | R590 | H588-R590 PolarHBondContact O-N 3.04Š| ||
| 589 | T | 25.6 | Very low | 26.3 | Very low | 132 Ų | 132 | 166.8 Ų | 166.8 | 81% | 0.81 | 82% | 0.815 | S | S | * | * | trans | -75.2 | 100.6 | 164.2 | 39.5 | 0 | 0 | 0 | 0 | 111.3 | G587 L591 | G587-T589 PolarHBondContact O-N 3.18Å; T589-L591 PolarHBondContact O-N 3.08Å | ||
| 590 | R | 22.7 | Very low | 26.5 | Very low | 251 Ų | 251 | 169.5 Ų | 169.5 | 95% | 0.947 | 82% | 0.82 | S | S | * | * | trans | -76.5 | 113.2 | 163.7 | -109.7 | 177.2 | 172.9 | 159.3 | -1.8 | 109.8 | H588 | H588-R590 PolarHBondContact O-N 3.04Š| ||
| 591 | L | 24.5 | Very low | 26.2 | Very low | 163 Ų | 163 | 170.1 Ų | 170.1 | 85% | 0.853 | 82% | 0.823 | S | S | * | * | P | Polyproline II helix | trans | -72.7 | 137.2 | 178 | -80.9 | 160.1 | 0 | 0 | 0 | 112.3 | T589 | T589-L591 PolarHBondContact O-N 3.08Š|
| 592 | R | 23.2 | Very low | 26.3 | Very low | 245 Ų | 245 | 168.8 Ų | 168.8 | 93% | 0.925 | 82% | 0.824 | S | S | * | * | P | Polyproline II helix | trans | -57.6 | 124.8 | -179.1 | -71.7 | 169.9 | 168 | 165.2 | -4.2 | 112.9 | ||
| 593 | F | 21.7 | Very low | 25.9 | Very low | 211 Ų | 211 | 171.4 Ų | 171.4 | 93% | 0.925 | 83% | 0.832 | S | S | * | * | P | Polyproline II helix | trans | -95.2 | 127.5 | 152.4 | -91.3 | -88 | 0 | 0 | 0 | 109.4 | ||
| 594 | R | 23.6 | Very low | 25.9 | Very low | 240 Ų | 240 | 172.3 Ų | 172.3 | 91% | 0.906 | 84% | 0.836 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 127.1 | -173.8 | -156.1 | 177.1 | -166.5 | 171.5 | 2.2 | 109.4 | ||
| 595 | R | 22 | Very low | 25.9 | Very low | 231 Ų | 231 | 174.8 Ų | 174.8 | 87% | 0.872 | 84% | 0.843 | S | S | * | * | P | Polyproline II helix | trans | -56.7 | 138.5 | 179.6 | -67.1 | 171.6 | 174.2 | 165.3 | -4.3 | 113 | ||
| 596 | Y | 24.4 | Very low | 25.5 | Very low | 234 Ų | 234 | 176.4 Ų | 176.4 | 92% | 0.918 | 84% | 0.843 | S | S | * | * | trans | -119.2 | 135.6 | 145 | -83.3 | -78.5 | 0 | 0 | 0 | 108.5 | ||||
| 597 | S | 26.1 | Very low | 25.7 | Very low | 107 Ų | 107 | 173.6 Ų | 173.6 | 75% | 0.748 | 84% | 0.839 | S | S | * | * | trans | -73.7 | 138.8 | -161.5 | -157.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 598 | S | 24.2 | Very low | 25.6 | Very low | 101 Ų | 101 | 179 Ų | 179 | 71% | 0.706 | 85% | 0.847 | S | S | * | * | trans | -65.8 | 138.8 | 160.1 | 46.7 | 0 | 0 | 0 | 0 | 111 | ||||
| 599 | D | 28.9 | Very low | 25.6 | Very low | 149 Ų | 149 | 181.4 Ų | 181.4 | 80% | 0.797 | 85% | 0.848 | S | S | * | * | trans | -149.4 | 109 | 152.4 | -79.6 | -38.1 | 0 | 0 | 0 | 109.2 | ||||
| 600 | E | 28.2 | Very low | 25.7 | Very low | 170 Ų | 170 | 178.3 Ų | 178.3 | 79% | 0.794 | 84% | 0.843 | S | S | * | * | trans | 47.8 | 102.1 | 140.2 | -55.3 | -166.8 | 164.2 | 0 | 0 | 122.4 | ||||
| 601 | D | 25.2 | Very low | 26 | Very low | 161 Ų | 161 | 172.5 Ų | 172.5 | 86% | 0.861 | 84% | 0.835 | S | S | * | * | 26.4 | 112.7 | 121.3 | -58.6 | -28.4 | 0 | 0 | 0 | 118.9 | |||||
| 602 | S | 29.6 | Very low | 26.2 | Very low | 102 Ų | 102 | 172.7 Ų | 172.7 | 71% | 0.713 | 84% | 0.837 | S | S | * | * | trans | -134.8 | 108 | 158.7 | -68.4 | 0 | 0 | 0 | 0 | 109.1 | H604 | S602-H604 PolarHBondContact O-N 3.18Š| ||
| 603 | E | 23.9 | Very low | 26.5 | Very low | 194 Ų | 194 | 169.2 Ų | 169.2 | 91% | 0.907 | 83% | 0.832 | S | S | * | * | trans | -61.6 | 117.3 | 175.8 | -60.7 | 179.6 | 153.3 | 0 | 0 | 110.2 | ||||
| 604 | H | 28.9 | Very low | 26.9 | Very low | 179 Ų | 179 | 166.3 Ų | 166.3 | 83% | 0.829 | 83% | 0.826 | S | S | * | * | trans | -123.4 | 118.8 | 167.8 | -82.7 | -57 | 0 | 0 | 0 | 111.1 | S602 | S602-H604 PolarHBondContact O-N 3.18Š| ||
| 605 | E | 26.6 | Very low | 27.2 | Very low | 191 Ų | 191 | 162.6 Ų | 162.6 | 89% | 0.893 | 82% | 0.824 | S | S | * | * | trans | -58.7 | 128.6 | -173.1 | -161.5 | 172.1 | -176.1 | 0 | 0 | 112.8 | V607 | E605-V607 PolarHBondContact O-N 2.92Š| ||
| 606 | F | 25.1 | Very low | 27.4 | Very low | 193 Ų | 193 | 159.2 Ų | 159.2 | 85% | 0.846 | 82% | 0.823 | S | S | * | * | trans | -79.1 | 109.8 | -173.7 | -147.9 | -97.8 | 0 | 0 | 0 | 110 | E608 | F606-E608 HydrophobicContact CD1-CG 4.45Š| ||
| 607 | V | 28.9 | Very low | 27.6 | Very low | 136 Ų | 136 | 155 Ų | 155 | 82% | 0.824 | 82% | 0.816 | S | S | * | * | trans | -98.3 | 103.3 | 169.5 | 179.6 | 0 | 0 | 0 | 0 | 108.5 | E605 R609 | E605-V607 PolarHBondContact O-N 2.92Å; V607-R609 PolarHBondContact O-N 2.98Å | ||
| 608 | E | 26.6 | Very low | 27.7 | Very low | 175 Ų | 175 | 154.6 Ų | 154.6 | 82% | 0.818 | 81% | 0.813 | S | S | * | * | trans | -54 | 115.4 | 173.4 | -76.2 | 178 | 144 | 0 | 0 | 111.2 | F606 | F606-E608 HydrophobicContact CD1-CG 4.45Š| ||
| 609 | R | 27 | Very low | 27.9 | Very low | 244 Ų | 244 | 156.5 Ų | 156.5 | 92% | 0.921 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -96.6 | 118.3 | 167.1 | -174.8 | 176.7 | -81.6 | -139 | -0.3 | 108.2 | V607 | V607-R609 PolarHBondContact O-N 2.98Š|
| 610 | G | 27.6 | Very low | 27.8 | Very low | 68 Ų | 68 | 155.1 Ų | 155.1 | 70% | 0.701 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -58 | 141.9 | -171.1 | 0 | 0 | 0 | 0 | 0 | 115 | ||
| 611 | T | 29.8 | Very low | 27.7 | Very low | 128 Ų | 128 | 152.6 Ų | 152.6 | 79% | 0.785 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -67.9 | 116.8 | 170.5 | 36.9 | 0 | 0 | 0 | 0 | 110.8 | E613 | T611-E613 PolarHBondContact O-N 3.39Š|
| 612 | D | 29.1 | Very low | 28 | Very low | 167 Ų | 167 | 150.3 Ų | 150.3 | 89% | 0.893 | 79% | 0.787 | S | S | * | * | trans | -68.2 | 92.9 | 166.5 | -79.3 | -41 | 0 | 0 | 0 | 109.5 | N614 | D612-N614 PolarHBondContact O-N 2.77Å; D612-N614 VanDerWaalsContact O-N 3.15Å | ||
| 613 | E | 29.7 | Very low | 27.8 | Very low | 173 Ų | 173 | 151.3 Ų | 151.3 | 81% | 0.808 | 78% | 0.776 | S | S | * | * | trans | -73.5 | 88.6 | 165.3 | -68.5 | -173 | 165.8 | 0 | 0 | 109.1 | T611 | T611-E613 PolarHBondContact O-N 3.39Š| ||
| 614 | N | 30.4 | Very low | 27.8 | Very low | 149 Ų | 149 | 145.2 Ų | 145.2 | 80% | 0.797 | 77% | 0.765 | S | S | * | * | trans | -155.7 | 20 | 166 | -97.2 | -27.8 | 0 | 0 | 0 | 116.3 | D612 | D612-N614 PolarHBondContact O-N 2.77Å; D612-N614 VanDerWaalsContact O-N 3.15Å | ||
| 615 | D | 28.9 | Very low | 27.8 | Very low | 162 Ų | 162 | 140.2 Ų | 140.2 | 87% | 0.866 | 75% | 0.75 | S | S | * | * | trans | -107.3 | 47 | 174 | -76.9 | -17.8 | 0 | 0 | 0 | 112.6 | ||||
| 616 | N | 26.5 | Very low | 27.8 | Very low | 160 Ų | 160 | 137.7 Ų | 137.7 | 86% | 0.856 | 74% | 0.743 | S | S | * | * | trans | -101 | 44.9 | 167.1 | -86.9 | -26.1 | 0 | 0 | 0 | 111.3 | S618 | N616-S618 VanDerWaalsContact C-N 3.34Å; N616-S618 PolarHBondContact O-N 3.42Å; N616-S618 VanDerWaalsContact O-N 3.11Å | ||
| 617 | D | 28.2 | Very low | 28 | Very low | 145 Ų | 145 | 131.5 Ų | 131.5 | 78% | 0.775 | 72% | 0.719 | S | S | * | * | trans | -76.2 | 92.9 | 161 | -85.1 | -23.6 | 0 | 0 | 0 | 108.1 | D619 | D617-D619 VanDerWaalsContact C-N 3.26Å; D617-D619 PolarHBondContact O-N 2.96Å | ||
| 618 | S | 28.4 | Very low | 28.2 | Very low | 99 Ų | 99 | 127.7 Ų | 127.7 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | trans | -65.5 | 81.8 | 173 | 58.9 | 0 | 0 | 0 | 0 | 110.5 | N616 T620 | N616-S618 VanDerWaalsContact C-N 3.34Å; N616-S618 PolarHBondContact O-N 3.42Å; N616-S618 VanDerWaalsContact O-N 3.11Å; S618-T620 PolarHBondContact O-N 3.11Å | ||
| 619 | D | 28.8 | Very low | 28.3 | Very low | 142 Ų | 142 | 124.3 Ų | 124.3 | 76% | 0.759 | 69% | 0.694 | S | S | * | * | trans | -78.6 | 30 | 179.3 | -114.9 | -3.4 | 0 | 0 | 0 | 113.3 | D617 D621 | D617-D619 VanDerWaalsContact C-N 3.26Å; D617-D619 PolarHBondContact O-N 2.96Å; D619-D621 VanDerWaalsContact C-N 3.35Å; D619-D621 PolarHBondContact O-N 2.65Å | ||
| 620 | T | 26.8 | Very low | 28.4 | Very low | 119 Ų | 119 | 115.2 Ų | 115.2 | 73% | 0.73 | 66% | 0.663 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.7 | -0.9 | -176.3 | 25.3 | 0 | 0 | 0 | 0 | 115.4 | S618 | S618-T620 PolarHBondContact O-N 3.11Š|
| 621 | D | 25.8 | Very low | 28.5 | Very low | 118 Ų | 118 | 116.1 Ų | 116.1 | 63% | 0.631 | 65% | 0.651 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.8 | 1.5 | -176.7 | -80 | 1.4 | 0 | 0 | 0 | 114.8 | D619 W623 | D619-D621 VanDerWaalsContact C-N 3.35Å; D619-D621 PolarHBondContact O-N 2.65Å; D621-W623 PolarHBondContact O-N 3.5Å |
| 622 | F | 31.6 | Very low | 28.3 | Very low | 112 Ų | 112 | 115 Ų | 115 | 49% | 0.491 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -77.8 | -18.5 | -174.8 | -161.8 | -82.1 | 0 | 0 | 0 | 114.1 | Y232 | Y232-F622 AromaticContact CE1-CE1 3.96Å; Y232-F622 HydrophobicContact CE1-CE1 3.96Å |
| 623 | W | 25.6 | Very low | 28.1 | Very low | 124 Ų | 124 | 109.6 Ų | 109.6 | 47% | 0.47 | 61% | 0.612 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -93.3 | -6 | 178 | -72.9 | 81.1 | 0 | 0 | 0 | 114 | K291 D621 S625 | K291-W623 HydrophobicContact CG-CZ2 4.39Å; D621-W623 PolarHBondContact O-N 3.5Å; W623-S625 PolarHBondContact O-N 3.49Å |
| 624 | G | 23.7 | Very low | 28 | Very low | 66 Ų | 66 | 106.9 Ų | 106.9 | 68% | 0.68 | 60% | 0.6 | S | S | * | * | trans | -73.3 | 11.7 | -167.4 | 0 | 0 | 0 | 0 | 0 | 117.2 | D626 | G624-D626 VanDerWaalsContact C-N 3.26Å; G624-D626 PolarHBondContact O-N 2.94Å | ||
| 625 | S | 28.8 | Very low | 27.7 | Very low | 74 Ų | 74 | 105.3 Ų | 105.3 | 52% | 0.517 | 59% | 0.591 | S | S | . | * | trans | -86.4 | 77 | 164.5 | 80.9 | 0 | 0 | 0 | 0 | 108.9 | W623 D627 | W623-S625 PolarHBondContact O-N 3.49Å; S625-D627 PolarHBondContact O-N 3.13Å | ||
| 626 | D | 27.4 | Very low | 27.7 | Very low | 137 Ų | 137 | 103.8 Ų | 103.8 | 73% | 0.733 | 58% | 0.579 | S | S | * | * | trans | -64.9 | 66 | 167.4 | -103.1 | -16.8 | 0 | 0 | 0 | 110.2 | G624 | G624-D626 VanDerWaalsContact C-N 3.26Å; G624-D626 PolarHBondContact O-N 2.94Å | ||
| 627 | D | 29.6 | Very low | 27.6 | Very low | 64 Ų | 64 | 102.7 Ų | 102.7 | 34% | 0.342 | 57% | 0.572 | S | S | . | * | trans | -127.2 | 10.5 | -174.3 | -120.8 | 28.4 | 0 | 0 | 0 | 111.2 | K199 R230 S625 | K199-D627 IonicContact NZ-OD2 3.28Å; K199-D627 PolarHBondContact NZ-OD2 2.89Å; R230-D627 IonicContact CZ-OD2 3.53Å; R230-D627 VanDerWaalsContact CZ-OD2 3.28Å; R230-D627 IonicContact NE-OD2 2.74Å; R230-D627 PolarHBondContact NE-OD2 3.49Å; R230-D627 IonicContact NH2-OD1 3.77Å; R230-D627 IonicContact NH2-OD2 2.7Å; R230-D627 PolarHBondContact NH2-OD2 3.32Å; S625-D627 PolarHBondContact O-N 3.13Å | ||
| 628 | S | 31.2 | Very low | 27.4 | Very low | 55 Ų | 55 | 102.8 Ų | 102.8 | 39% | 0.385 | 57% | 0.572 | S | S | . | * | trans | -87.3 | -9.1 | -172.3 | -53 | 0 | 0 | 0 | 0 | 113.5 | L377 L630 | L377-S628 VanDerWaalsContact CD2-CB 3.48Å; L377-S628 VanDerWaalsContact CD2-O 3.27Å; L377-S628 WeakPolarHBondContact CD2-O 3.37Å; S628-L630 PolarHBondContact O-N 3.11Å; S628-L630 VanDerWaalsContact O-N 3.11Å | ||
| 629 | S | 29.1 | Very low | 27.3 | Very low | 105 Ų | 105 | 101.9 Ų | 101.9 | 73% | 0.734 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.2 | 77 | 174.7 | 71.1 | 0 | 0 | 0 | 0 | 111.1 | ||
| 630 | L | 30.6 | Very low | 27.2 | Very low | 52 Ų | 52 | 99.8 Ų | 99.8 | 27% | 0.272 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -145.4 | 4.6 | 173 | -109.7 | 157.7 | 0 | 0 | 0 | 115.1 | Y203 S628 | Y203-L630 HydrophobicContact CE1-CD2 4.26Å; S628-L630 PolarHBondContact O-N 3.11Å; S628-L630 VanDerWaalsContact O-N 3.11Å |
| 631 | L | 28.5 | Very low | 27.2 | Very low | 88 Ų | 88 | 96.3 Ų | 96.3 | 46% | 0.461 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -92.5 | 5.3 | 168.6 | -78 | 163.6 | 0 | 0 | 0 | 113.5 | P380 | P380-L631 HydrophobicContact CB-CB 4.15Å; P380-L631 HydrophobicContact CB-CD1 3.33Å; P380-L631 HydrophobicContact CB-CG 4.32Å; P380-L631 HydrophobicContact CG-CB 4.3Å; P380-L631 HydrophobicContact CG-CD1 4.34Å |
| 632 | H | 25.1 | Very low | 27.4 | Very low | 105 Ų | 105 | 95.4 Ų | 95.4 | 49% | 0.486 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -120.6 | 7.5 | 176.8 | -75 | -53.1 | 0 | 0 | 0 | 115.8 | Q634 Y790 | H632-Q634 PolarHBondContact O-N 3.15Å; H632-Y790 AromaticContact CE1-CE1 3.67Å; H632-Y790 AromaticContact NE2-CE1 3.52Å; H632-Y790 AromaticContact NE2-CZ 3.91Å; H632-Y790 PolarHBondContact NE2-OH 2.52Å |
| 633 | S | 26.6 | Very low | 27.2 | Very low | 53 Ų | 53 | 95.1 Ų | 95.1 | 37% | 0.371 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -95.7 | 61.2 | 173.3 | 73.4 | 0 | 0 | 0 | 0 | 111.1 | D635 | S633-D635 VanDerWaalsContact C-N 3.27Š|
| 634 | Q | 26.1 | Very low | 27.3 | Very low | 116 Ų | 116 | 92 Ų | 92 | 54% | 0.542 | 55% | 0.551 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -80.6 | -18.4 | 148.4 | -105.1 | 172.7 | -34.4 | 0 | 0 | 110.5 | H632 | H632-Q634 PolarHBondContact O-N 3.15Š|
| 635 | D | 25 | Very low | 27.6 | Very low | 115 Ų | 115 | 96.1 Ų | 96.1 | 62% | 0.615 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -105.2 | 58.1 | 177.5 | -57.5 | -29.9 | 0 | 0 | 0 | 112.5 | S633 | S633-D635 VanDerWaalsContact C-N 3.27Š|
| 636 | E | 28 | Very low | 27.6 | Very low | 131 Ų | 131 | 99 Ų | 99 | 61% | 0.612 | 57% | 0.568 | S | S | * | * | trans | -140 | 62.3 | 167.7 | -72.9 | -165.1 | 169.8 | 0 | 0 | 111.6 | ||||
| 637 | I | 24.2 | Very low | 27.7 | Very low | 137 Ų | 137 | 99.2 Ų | 99.2 | 70% | 0.703 | 57% | 0.568 | S | S | * | * | trans | -86 | 124.1 | 158.5 | -47.7 | 173.8 | 0 | 0 | 0 | 105.2 | ||||
| 638 | N | 25.4 | Very low | 27.7 | Very low | 146 Ų | 146 | 104.3 Ų | 104.3 | 78% | 0.781 | 60% | 0.595 | S | S | * | * | trans | 93.9 | 71.4 | 173.8 | -48.2 | -33.9 | 0 | 0 | 0 | 117.9 | ||||
| 639 | S | 26 | Very low | 27.7 | Very low | 81 Ų | 81 | 109.2 Ų | 109.2 | 57% | 0.566 | 62% | 0.617 | S | S | * | * | trans | -145.6 | 105.1 | 151.3 | -171.1 | 0 | 0 | 0 | 0 | 112 | R1505 | S639-R1505 PolarHBondContact OG-NH2 2.88Š| ||
| 640 | T | 26.9 | Very low | 27.7 | Very low | 97 Ų | 97 | 110.2 Ų | 110.2 | 60% | 0.595 | 62% | 0.618 | S | S | * | * | trans | -91.7 | 126.4 | -179.9 | 40.7 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 641 | G | 26.5 | Very low | 27.6 | Very low | 47 Ų | 47 | 115.5 Ų | 115.5 | 49% | 0.485 | 65% | 0.646 | S | S | . | * | trans | -152.1 | 116.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 642 | T | 28.7 | Very low | 27.4 | Very low | 99 Ų | 99 | 116.3 Ų | 116.3 | 61% | 0.607 | 66% | 0.659 | S | S | * | * | trans | -98.1 | 140.4 | 176.8 | 34.2 | 0 | 0 | 0 | 0 | 110.5 | K1512 | T642-K1512 PolarHBondContact OG1-NZ 3.42Š| ||
| 643 | P | 27.9 | Very low | 27.4 | Very low | 105 Ų | 105 | 117.6 Ų | 117.6 | 68% | 0.682 | 67% | 0.669 | S | S | * | * | trans | -74.4 | 135.1 | -176 | 30 | -32.1 | 0 | 0 | 0 | 111.2 | ||||
| 644 | S | 27.6 | Very low | 27.4 | Very low | 58 Ų | 58 | 119.5 Ų | 119.5 | 41% | 0.406 | 68% | 0.675 | S | S | . | * | trans | -99.2 | 114.3 | 168.9 | 57.5 | 0 | 0 | 0 | 0 | 109 | D646 | S644-D646 PolarHBondContact O-N 3.04Š| ||
| 645 | D | 30.6 | Very low | 27.5 | Very low | 154 Ų | 154 | 122.2 Ų | 122.2 | 82% | 0.824 | 68% | 0.681 | S | S | * | * | trans | -65.9 | 116.9 | 158.8 | -79.1 | -36.6 | 0 | 0 | 0 | 107.9 | ||||
| 646 | D | 28.5 | Very low | 27.6 | Very low | 135 Ų | 135 | 124 Ų | 124 | 72% | 0.722 | 69% | 0.69 | S | S | * | * | trans | 161.2 | 92.8 | 150 | -79.7 | -26.1 | 0 | 0 | 0 | 107.5 | S644 | S644-D646 PolarHBondContact O-N 3.04Š| ||
| 647 | D | 29.2 | Very low | 27.8 | Very low | 140 Ų | 140 | 123 Ų | 123 | 75% | 0.749 | 68% | 0.68 | S | S | * | * | trans | 179.1 | 89.7 | 143.4 | -91.8 | -21.9 | 0 | 0 | 0 | 108.2 | D649 | D647-D649 PolarHBondContact O-N 3.12Š| ||
| 648 | L | 30.6 | Very low | 27.9 | Very low | 171 Ų | 171 | 125.4 Ų | 125.4 | 90% | 0.895 | 68% | 0.68 | S | S | * | * | trans | -69.3 | 100.2 | 163.3 | -75 | 162.1 | 0 | 0 | 0 | 107.7 | ||||
| 649 | D | 31 | Very low | 28.1 | Very low | 158 Ų | 158 | 123.3 Ų | 123.3 | 85% | 0.845 | 68% | 0.683 | S | S | * | * | trans | 151.5 | 62.1 | 148.1 | -78.7 | -19.5 | 0 | 0 | 0 | 110.7 | D647 | D647-D649 PolarHBondContact O-N 3.12Š| ||
| 650 | V | 28.2 | Very low | 28.2 | Very low | 126 Ų | 126 | 124.6 Ų | 124.6 | 76% | 0.764 | 69% | 0.692 | S | S | * | * | S | Bend | trans | -132.8 | 100.1 | 159.5 | -176.9 | 0 | 0 | 0 | 0 | 108.1 | S652 | V650-S652 PolarHBondContact O-N 2.92Š|
| 651 | L | 28.5 | Very low | 28.2 | Very low | 164 Ų | 164 | 128.6 Ų | 128.6 | 86% | 0.859 | 70% | 0.701 | S | S | * | * | trans | 31.6 | 86.5 | 156 | -61.3 | 170.7 | 0 | 0 | 0 | 114.3 | D653 | L651-D653 PolarHBondContact O-N 3.33Š| ||
| 652 | S | 25.1 | Very low | 28.1 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 72% | 0.717 | S | S | * | * | trans | -45.2 | 113.5 | 164.8 | -48.3 | 0 | 0 | 0 | 0 | 109.1 | V650 D654 | V650-S652 PolarHBondContact O-N 2.92Å; S652-D654 PolarHBondContact O-N 3.24Å | ||
| 653 | D | 24.7 | Very low | 28.1 | Very low | 132 Ų | 132 | 137 Ų | 137 | 71% | 0.706 | 73% | 0.731 | S | S | * | * | trans | -71.9 | 72.6 | 176.2 | -158 | -2.5 | 0 | 0 | 0 | 108.6 | L651 R655 | L651-D653 PolarHBondContact O-N 3.33Å; D653-R655 PolarHBondContact O-N 3.47Å | ||
| 654 | D | 27.8 | Very low | 27.9 | Very low | 93 Ų | 93 | 143.8 Ų | 143.8 | 50% | 0.497 | 74% | 0.743 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -67.2 | 9 | -178.9 | -105.2 | -18.8 | 0 | 0 | 0 | 112.3 | S652 R657 | S652-D654 PolarHBondContact O-N 3.24Å; D654-R657 PolarHBondContact O-N 3.32Å |
| 655 | R | 27.1 | Very low | 27.7 | Very low | 174 Ų | 174 | 150.4 Ų | 150.4 | 66% | 0.657 | 77% | 0.769 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | -26.9 | 179.6 | -76.1 | -172.1 | 144.4 | 173.2 | -3.4 | 113.2 | D653 | D653-R655 PolarHBondContact O-N 3.47Š|
| 656 | L | 28 | Very low | 27.5 | Very low | 153 Ų | 153 | 146.9 Ų | 146.9 | 80% | 0.801 | 77% | 0.769 | S | S | * | * | G | 310 helix | trans | -84.2 | -11.2 | 176.1 | -78.5 | 167.7 | 0 | 0 | 0 | 114.6 | R658 | L656-R658 VanDerWaalsContact C-N 3.31Å; L656-R658 PolarHBondContact O-N 2.96Å |
| 657 | R | 31.1 | Very low | 27.4 | Very low | 110 Ų | 110 | 145 Ų | 145 | 42% | 0.415 | 77% | 0.767 | S | S | . | * | G | 310 helix | trans | -77.4 | -11.8 | 175.5 | -108.5 | 176.9 | -173.4 | -167.6 | -1.6 | 114.5 | Q98 D654 A659 | Q98-R657 VanDerWaalsContact OE1-CZ 3.31Å; D654-R657 PolarHBondContact O-N 3.32Å; R657-A659 PolarHBondContact O-N 3.11Å |
| 658 | R | 26.9 | Very low | 27.2 | Very low | 187 Ų | 187 | 147.6 Ų | 147.6 | 71% | 0.706 | 78% | 0.775 | S | S | * | * | G | 310 helix | trans | -83.5 | -2.1 | -169.6 | -102.9 | -173.4 | -91.9 | -170.3 | -5.9 | 116.3 | L656 S660 | L656-R658 VanDerWaalsContact C-N 3.31Å; L656-R658 PolarHBondContact O-N 2.96Å; R658-S660 VanDerWaalsContact C-N 3.33Å; R658-S660 PolarHBondContact O-N 3.17Å |
| 659 | A | 28.4 | Very low | 27.2 | Very low | 101 Ų | 101 | 150.1 Ų | 150.1 | 84% | 0.835 | 77% | 0.772 | S | S | * | * | G | 310 helix | trans | -78 | -7.5 | 180 | 0 | 0 | 0 | 0 | 0 | 115.3 | R657 | R657-A659 PolarHBondContact O-N 3.11Š|
| 660 | S | 28.6 | Very low | 27.2 | Very low | 109 Ų | 109 | 149.9 Ų | 149.9 | 76% | 0.762 | 77% | 0.771 | S | S | * | * | G | 310 helix | trans | -112.7 | 1.7 | -177.9 | 58.1 | 0 | 0 | 0 | 0 | 115.9 | R658 | R658-S660 VanDerWaalsContact C-N 3.33Å; R658-S660 PolarHBondContact O-N 3.17Å |
| 661 | K | 28.2 | Very low | 27.1 | Very low | 180 Ų | 180 | 148.7 Ų | 148.7 | 78% | 0.783 | 77% | 0.774 | S | S | * | * | trans | -100.9 | 5.4 | 177.5 | -92.1 | -178 | 178.9 | 173.4 | 0 | 115.5 | N663 | K661-N663 PolarHBondContact O-N 3.4Š| ||
| 662 | L | 24.6 | Very low | 27.2 | Very low | 158 Ų | 158 | 150.6 Ų | 150.6 | 83% | 0.827 | 78% | 0.775 | S | S | * | * | trans | -83.7 | 65.8 | 173.7 | -126.5 | 138.1 | 0 | 0 | 0 | 110.1 | ||||
| 663 | N | 26.9 | Very low | 27.3 | Very low | 166 Ų | 166 | 153.8 Ų | 153.8 | 89% | 0.888 | 78% | 0.779 | S | S | * | * | trans | -160.1 | 66.8 | 163.8 | -91.1 | -24.1 | 0 | 0 | 0 | 107.8 | K661 | K661-N663 PolarHBondContact O-N 3.4Š| ||
| 664 | R | 25.1 | Very low | 27.6 | Very low | 247 Ų | 247 | 156 Ų | 156 | 93% | 0.932 | 79% | 0.79 | S | S | * | * | trans | -142 | 60.6 | 170.5 | -147.7 | -174.5 | -142.8 | -136.6 | 6.7 | 110 | ||||
| 665 | M | 23.3 | Very low | 27.6 | Very low | 196 Ų | 196 | 160.1 Ų | 160.1 | 97% | 0.966 | 80% | 0.803 | S | S | * | * | trans | -108.6 | 127.3 | 158.4 | -73.2 | -150 | -150.4 | 0 | 0 | 108.8 | ||||
| 666 | G | 25.1 | Very low | 27.5 | Very low | 80 Ų | 80 | 157.2 Ų | 157.2 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | 84.1 | 74.3 | 155.9 | 0 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 667 | S | 26.9 | Very low | 27.5 | Very low | 96 Ų | 96 | 156.5 Ų | 156.5 | 67% | 0.671 | 80% | 0.802 | S | S | * | * | trans | -146 | 79.3 | 143.9 | -154.2 | 0 | 0 | 0 | 0 | 109.7 | R669 | S667-R669 PolarHBondContact O-N 3.2Š| ||
| 668 | Q | 25.6 | Very low | 27.5 | Very low | 194 Ų | 194 | 158.2 Ų | 158.2 | 91% | 0.907 | 82% | 0.819 | S | S | * | * | trans | -66.3 | 105.8 | 151.8 | -83.4 | 173.7 | -36 | 0 | 0 | 106.1 | ||||
| 669 | R | 29.3 | Very low | 28.3 | Very low | 225 Ų | 225 | 154.6 Ų | 154.6 | 85% | 0.849 | 82% | 0.82 | S | S | * | * | trans | -116 | 113.9 | 162.7 | -85.6 | -173.8 | 175.9 | 169.7 | 0.8 | 107.8 | S667 A671 | S667-R669 PolarHBondContact O-N 3.2Å; R669-A671 PolarHBondContact O-N 3.05Å | ||
| 670 | D | 30.9 | Very low | 28.2 | Very low | 153 Ų | 153 | 155 Ų | 155 | 82% | 0.818 | 82% | 0.817 | S | S | * | * | trans | -51.9 | 125.8 | -179 | -67.3 | -55 | 0 | 0 | 0 | 112.2 | K672 | D670-K672 PolarHBondContact O-N 3.44Å; D670-K672 VanDerWaalsContact O-N 3.08Å | ||
| 671 | A | 26.5 | Very low | 28.2 | Very low | 100 Ų | 100 | 157.9 Ų | 157.9 | 83% | 0.826 | 82% | 0.816 | S | S | * | * | trans | -69.1 | 97 | 169.5 | 0 | 0 | 0 | 0 | 0 | 109.5 | R669 | R669-A671 PolarHBondContact O-N 3.05Š| ||
| 672 | K | 32 | Very low | 28.1 | Very low | 204 Ų | 204 | 157.8 Ų | 157.8 | 89% | 0.887 | 81% | 0.812 | S | S | * | * | trans | -89.5 | 106.5 | 157.7 | -80.9 | -173.1 | 178.5 | 178.7 | 0 | 109.3 | D670 L674 | D670-K672 PolarHBondContact O-N 3.44Å; D670-K672 VanDerWaalsContact O-N 3.08Å; K672-L674 PolarHBondContact O-N 3.2Å | ||
| 673 | Q | 26.8 | Very low | 28 | Very low | 172 Ų | 172 | 156.9 Ų | 156.9 | 80% | 0.804 | 81% | 0.807 | S | S | * | * | trans | -49.8 | 128.3 | 165 | -64.9 | 173.9 | 3.2 | 0 | 0 | 110.3 | ||||
| 674 | L | 30 | Very low | 27.9 | Very low | 179 Ų | 179 | 153.8 Ų | 153.8 | 94% | 0.937 | 80% | 0.798 | S | S | * | * | trans | -137.5 | 128.9 | 151.1 | -139.5 | 87 | 0 | 0 | 0 | 109.8 | K672 | K672-L674 PolarHBondContact O-N 3.2Š| ||
| 675 | K | 28.4 | Very low | 28 | Very low | 178 Ų | 178 | 151.3 Ų | 151.3 | 77% | 0.774 | 80% | 0.797 | S | S | * | * | trans | -77.3 | 139.1 | -169.3 | -75.4 | 172.6 | 171.9 | 176.2 | 0 | 112.2 | ||||
| 676 | T | 24.8 | Very low | 28 | Very low | 113 Ų | 113 | 147.7 Ų | 147.7 | 69% | 0.693 | 79% | 0.791 | S | S | * | * | trans | 23.8 | 117.7 | 133.2 | 64.2 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 677 | N | 27.7 | Very low | 28 | Very low | 139 Ų | 139 | 155 Ų | 155 | 74% | 0.743 | 79% | 0.794 | S | S | * | * | 166.1 | 130.4 | 108.7 | -86.1 | -13.5 | 0 | 0 | 0 | 113.8 | |||||
| 678 | D | 32.2 | Very low | 27.9 | Very low | 145 Ų | 145 | 156.2 Ų | 156.2 | 78% | 0.775 | 80% | 0.802 | S | S | * | * | trans | 73.9 | 137.1 | 141.7 | -71.4 | -37.5 | 0 | 0 | 0 | 125.1 | ||||
| 679 | P | 43.6 | Very low | 27.9 | Very low | 112 Ų | 112 | 153.3 Ų | 153.3 | 73% | 0.727 | 80% | 0.798 | S | S | * | * | trans | -101.8 | 132.7 | -175.7 | 37.3 | -25.1 | 0 | 0 | 0 | 111.6 | ||||
| 680 | S | 26.3 | Very low | 27.7 | Very low | 108 Ų | 108 | 147.5 Ų | 147.5 | 76% | 0.755 | 79% | 0.791 | S | S | * | * | trans | -167.3 | 130.7 | 149.5 | 60.8 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 681 | K | 27.6 | Very low | 27.4 | Very low | 170 Ų | 170 | 149.5 Ų | 149.5 | 74% | 0.739 | 79% | 0.793 | S | S | * | * | trans | 82.6 | 115.4 | 132.2 | -85.1 | -179.8 | 172.8 | -179.5 | 0 | 120.5 | ||||
| 682 | Y | 26.6 | Very low | 27.4 | Very low | 179 Ų | 179 | 151.9 Ų | 151.9 | 70% | 0.702 | 79% | 0.792 | S | S | * | * | trans | 93.1 | 106.3 | 133.3 | -74.1 | -61.4 | 0 | 0 | 0 | 120.4 | ||||
| 683 | L | 23.6 | Very low | 27 | Very low | 139 Ų | 139 | 149 Ų | 149 | 73% | 0.728 | 79% | 0.791 | S | S | * | * | 59.8 | 114.9 | 126.8 | -76.2 | 167.5 | 0 | 0 | 0 | 119.8 | |||||
| 684 | S | 24.3 | Very low | 26.8 | Very low | 101 Ų | 101 | 150.7 Ų | 150.7 | 71% | 0.706 | 79% | 0.79 | S | S | * | * | 58.8 | 97.8 | 125.5 | -53.5 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 685 | E | 26.6 | Very low | 26.5 | Very low | 194 Ų | 194 | 147 Ų | 147 | 91% | 0.907 | 78% | 0.779 | S | S | * | * | -153.1 | 113 | 127.7 | -113.3 | 167.7 | -160 | 0 | 0 | 110.4 | R687 | E685-R687 PolarHBondContact O-N 2.87Š| |||
| 686 | S | 23.1 | Very low | 26.2 | Very low | 121 Ų | 121 | 143.1 Ų | 143.1 | 85% | 0.846 | 77% | 0.771 | S | S | * | * | trans | -57.7 | 108.6 | 171.2 | 41.1 | 0 | 0 | 0 | 0 | 111 | ||||
| 687 | R | 24.9 | Very low | 26.1 | Very low | 233 Ų | 233 | 145.3 Ų | 145.3 | 88% | 0.879 | 78% | 0.777 | S | S | * | * | trans | -123.3 | 97.9 | 152.8 | -116.1 | 177 | 179.1 | 176 | -0.1 | 108.6 | E685 V689 | E685-R687 PolarHBondContact O-N 2.87Å; R687-V689 PolarHBondContact O-N 3.25Å | ||
| 688 | S | 24.5 | Very low | 25.9 | Very low | 121 Ų | 121 | 144.8 Ų | 144.8 | 85% | 0.846 | 78% | 0.779 | S | S | * | * | trans | -53.6 | 96.2 | 168.1 | 48.9 | 0 | 0 | 0 | 0 | 110 | S690 | S688-S690 PolarHBondContact O-N 2.98Š| ||
| 689 | V | 26.3 | Very low | 25.4 | Very low | 133 Ų | 133 | 140.6 Ų | 140.6 | 81% | 0.806 | 76% | 0.76 | S | S | * | * | trans | -83.1 | 105.9 | 161.1 | 178.6 | 0 | 0 | 0 | 0 | 106.3 | R687 K691 | R687-V689 PolarHBondContact O-N 3.25Å; V689-K691 PolarHBondContact O-N 2.95Å; V689-K691 VanDerWaalsContact O-N 3.15Å | ||
| 690 | S | 24.9 | Very low | 24.5 | Very low | 103 Ų | 103 | 142.8 Ų | 142.8 | 72% | 0.72 | 76% | 0.764 | S | S | * | * | trans | -44.6 | 112.5 | 172.1 | 49 | 0 | 0 | 0 | 0 | 111 | S688 D692 | S688-S690 PolarHBondContact O-N 2.98Å; S690-D692 PolarHBondContact O-N 3.49Å | ||
| 691 | K | 24.2 | Very low | 24.5 | Very low | 195 Ų | 195 | 140.5 Ų | 140.5 | 85% | 0.848 | 75% | 0.748 | S | S | * | * | trans | -58 | 121.3 | 146.7 | -72.2 | 172.8 | 174.4 | 175.1 | 0 | 106.8 | V689 | V689-K691 PolarHBondContact O-N 2.95Å; V689-K691 VanDerWaalsContact O-N 3.15Å | ||
| 692 | D | 26.2 | Very low | 24.5 | Very low | 150 Ų | 150 | 137.4 Ų | 137.4 | 80% | 0.802 | 74% | 0.736 | S | S | * | * | trans | -172.2 | 71.4 | 148.6 | -91.1 | -22.6 | 0 | 0 | 0 | 108.4 | S690 | S690-D692 PolarHBondContact O-N 3.49Š| ||
| 693 | V | 25.2 | Very low | 24.5 | Very low | 143 Ų | 143 | 135.5 Ų | 135.5 | 87% | 0.867 | 73% | 0.734 | S | S | * | * | trans | -106.3 | 86.1 | 150.9 | -178.1 | 0 | 0 | 0 | 0 | 105.6 | S695 | V693-S695 VanDerWaalsContact C-N 3.29Å; V693-S695 PolarHBondContact O-N 3.05Å | ||
| 694 | R | 21.9 | Very low | 24.5 | Very low | 209 Ų | 209 | 136.4 Ų | 136.4 | 79% | 0.789 | 74% | 0.735 | S | S | * | * | trans | -62.1 | 87.9 | 170.9 | -174.3 | -179.4 | -177.6 | 148.6 | -1.1 | 108.3 | T696 | R694-T696 WeakPolarHBondContact CG-OG1 3.45Å; R694-T696 PolarHBondContact O-N 3.31Å | ||
| 695 | S | 23 | Very low | 24.6 | Very low | 101 Ų | 101 | 136.1 Ų | 136.1 | 71% | 0.706 | 74% | 0.738 | S | S | * | * | trans | -75.7 | 72 | 166.1 | 63.3 | 0 | 0 | 0 | 0 | 108.9 | V693 L697 | V693-S695 VanDerWaalsContact C-N 3.29Å; V693-S695 PolarHBondContact O-N 3.05Å; S695-L697 PolarHBondContact O-N 2.98Å | ||
| 696 | T | 22.7 | Very low | 24.4 | Very low | 97 Ų | 97 | 132.1 Ų | 132.1 | 60% | 0.595 | 72% | 0.722 | S | S | * | * | trans | -72.9 | 79.3 | 161.1 | 8.7 | 0 | 0 | 0 | 0 | 107.3 | R694 T698 | R694-T696 WeakPolarHBondContact CG-OG1 3.45Å; R694-T696 PolarHBondContact O-N 3.31Å; T696-T698 PolarHBondContact O-N 3.19Å | ||
| 697 | L | 22 | Very low | 24.4 | Very low | 158 Ų | 158 | 135.6 Ų | 135.6 | 83% | 0.827 | 73% | 0.725 | S | S | * | * | trans | -82.3 | 96.3 | 161.4 | -88.9 | 157.3 | 0 | 0 | 0 | 106.2 | S695 C699 | S695-L697 PolarHBondContact O-N 2.98Å; L697-C699 PolarHBondContact O-N 3.1Å | ||
| 698 | T | 23.2 | Very low | 24.5 | Very low | 129 Ų | 129 | 131 Ų | 131 | 79% | 0.791 | 71% | 0.713 | S | S | * | * | trans | -57.6 | 126.1 | 175.6 | 29.4 | 0 | 0 | 0 | 0 | 110.1 | T696 | T696-T698 PolarHBondContact O-N 3.19Š| ||
| 699 | C | 23.1 | Very low | 24.4 | Very low | 56 Ų | 56 | 128.5 Ų | 128.5 | 38% | 0.378 | 71% | 0.707 | S | S | . | * | trans | -59.6 | 150 | 168.6 | -55.7 | 0 | 0 | 0 | 0 | 110.2 | F86 L697 S701 | F86-C699 WeakPolarHBondContact CE2-SG 3.49Å; F86-C699 WeakPolarHBondContact CZ-SG 3.12Å; L697-C699 PolarHBondContact O-N 3.1Å; C699-S701 VanDerWaalsContact C-N 3.31Å; C699-S701 PolarHBondContact O-N 2.96Å | ||
| 700 | I | 23.6 | Very low | 24.4 | Very low | 159 Ų | 159 | 132.3 Ų | 132.3 | 82% | 0.815 | 71% | 0.713 | S | S | * | * | trans | -49.2 | 95.2 | 163.7 | -57.1 | 162.6 | 0 | 0 | 0 | 107.9 | ||||
| 701 | S | 27 | Very low | 24.4 | Very low | 59 Ų | 59 | 134.2 Ų | 134.2 | 41% | 0.413 | 72% | 0.72 | S | S | . | * | trans | -102.1 | 119 | 154 | 43.6 | 0 | 0 | 0 | 0 | 105.6 | C699 | C699-S701 VanDerWaalsContact C-N 3.31Å; C699-S701 PolarHBondContact O-N 2.96Å | ||
| 702 | E | 28.2 | Very low | 24.5 | Very low | 105 Ų | 105 | 134 Ų | 134 | 49% | 0.491 | 72% | 0.722 | S | S | . | * | S | Bend | trans | -44.8 | 136.2 | 159.5 | -44.6 | -176.3 | 155.6 | 0 | 0 | 108.3 | F250 | F250-E702 HydrophobicContact CD2-CG 4.4Å; F250-E702 HydrophobicContact CE2-CB 3.88Å; F250-E702 HydrophobicContact CE2-CG 3.32Å; F250-E702 WeakPolarHBondContact CE2-OE1 3.44Å; F250-E702 HydrophobicContact CZ-CG 3.73Å; F250-E702 WeakPolarHBondContact CZ-OE1 3.36Å |
| 703 | E | 25.2 | Very low | 24.4 | Very low | 139 Ų | 139 | 136.4 Ų | 136.4 | 65% | 0.65 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 86.6 | 89 | -168.2 | -61 | 179 | 168.1 | 0 | 0 | 114.4 | R70 A705 | R70-E703 IonicContact CZ-OE1 3.35Å; R70-E703 IonicContact NH2-OE1 3.86Å; R70-E703 PolarHBondContact NH2-OE1 3.07Å; R70-E703 IonicContact NH2-OE2 2.77Å; E703-A705 PolarHBondContact O-N 3.42Å |
| 704 | E | 25.3 | Very low | 24.4 | Very low | 159 Ų | 159 | 137.7 Ų | 137.7 | 74% | 0.743 | 73% | 0.726 | S | S | * | * | trans | -59.3 | 120.5 | 165.1 | -64.5 | -174.8 | 156.1 | 0 | 0 | 110.3 | ||||
| 705 | A | 24.6 | Very low | 24.5 | Very low | 95 Ų | 95 | 136.3 Ų | 136.3 | 79% | 0.785 | 73% | 0.729 | S | S | * | * | trans | -110.4 | 108.1 | 156.4 | 0 | 0 | 0 | 0 | 0 | 106.9 | E703 Q707 | E703-A705 PolarHBondContact O-N 3.42Å; A705-Q707 PolarHBondContact O-N 3.32Å | ||
| 706 | I | 22.8 | Very low | 24.7 | Very low | 110 Ų | 110 | 138 Ų | 138 | 56% | 0.564 | 73% | 0.734 | S | S | * | * | trans | -35.8 | 122.7 | 176.7 | -64 | 166.9 | 0 | 0 | 0 | 112.2 | E440 | E440-I706 WeakPolarHBondContact OE1-CG2 3.3Š| ||
| 707 | Q | 24.4 | Very low | 24.9 | Very low | 193 Ų | 193 | 138.9 Ų | 138.9 | 90% | 0.902 | 74% | 0.742 | S | S | * | * | trans | -145.3 | 99.1 | 163.4 | -131.6 | 156.6 | 13.3 | 0 | 0 | 110.5 | A705 | A705-Q707 PolarHBondContact O-N 3.32Š| ||
| 708 | E | 25.3 | Very low | 25 | Very low | 137 Ų | 137 | 136.9 Ų | 136.9 | 64% | 0.64 | 74% | 0.741 | S | S | * | * | trans | -59.4 | 138 | 177.9 | -66.6 | -179.6 | 122.5 | 0 | 0 | 113.3 | E440 | E440-E708 WeakPolarHBondContact OE1-CG 3.44Š| ||
| 709 | G | 24.4 | Very low | 25.3 | Very low | 69 Ų | 69 | 139.1 Ų | 139.1 | 71% | 0.711 | 75% | 0.748 | S | S | * | * | trans | 92.1 | 94.1 | 133.8 | 0 | 0 | 0 | 0 | 0 | 118.7 | ||||
| 710 | K | 25.3 | Very low | 25.5 | Very low | 213 Ų | 213 | 140.7 Ų | 140.7 | 93% | 0.926 | 77% | 0.765 | S | S | * | * | trans | -165.6 | 98.4 | 130.1 | -107.8 | 169.8 | -173.9 | -179.6 | 0 | 111.2 | ||||
| 711 | T | 25.3 | Very low | 25.5 | Very low | 143 Ų | 143 | 137.8 Ų | 137.8 | 88% | 0.877 | 76% | 0.764 | S | S | * | * | trans | -83.8 | 109.9 | 172.9 | 25.9 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 712 | E | 26.4 | Very low | 25.5 | Very low | 191 Ų | 191 | 144.4 Ų | 144.4 | 89% | 0.893 | 79% | 0.789 | S | S | * | * | trans | -93.2 | 113 | 161 | -84.1 | -177.3 | 166 | 0 | 0 | 108.7 | L714 | E712-L714 PolarHBondContact O-N 3.24Š| ||
| 713 | K | 24.2 | Very low | 25.3 | Very low | 200 Ų | 200 | 144.9 Ų | 144.9 | 87% | 0.87 | 80% | 0.803 | S | S | * | * | trans | -61.5 | 118.9 | 175.2 | -80 | 178.2 | 170 | -175.5 | 0 | 110 | ||||
| 714 | L | 24.6 | Very low | 25.4 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 89% | 0.885 | 81% | 0.806 | S | S | * | * | trans | -110 | 100.3 | 164.2 | -114.7 | 152 | 0 | 0 | 0 | 107.1 | E712 V716 | E712-L714 PolarHBondContact O-N 3.24Å; L714-V716 PolarHBondContact O-N 3.08Å | ||
| 715 | E | 24.2 | Very low | 25.4 | Very low | 181 Ų | 181 | 140.4 Ų | 140.4 | 85% | 0.846 | 81% | 0.805 | S | S | * | * | P | Polyproline II helix | trans | -64.6 | 126.2 | 175.4 | -79.2 | 176.4 | 149.6 | 0 | 0 | 110.6 | ||
| 716 | V | 26 | Very low | 25.5 | Very low | 135 Ų | 135 | 142.3 Ų | 142.3 | 82% | 0.818 | 80% | 0.802 | S | S | * | * | P | Polyproline II helix | trans | -87.7 | 124.5 | 174.5 | 179.6 | 0 | 0 | 0 | 0 | 108 | L714 S718 | L714-V716 PolarHBondContact O-N 3.08Å; V716-S718 PolarHBondContact O-N 3.14Å |
| 717 | P | 26.8 | Very low | 25.6 | Very low | 116 Ų | 116 | 144.1 Ų | 144.1 | 75% | 0.753 | 81% | 0.813 | S | S | * | * | P | Polyproline II helix | trans | -70.3 | 126.2 | -176.8 | -14.6 | 28.3 | 0 | 0 | 0 | 111.6 | L719 | P717-L719 PolarHBondContact O-N 2.95Š|
| 718 | S | 25.8 | Very low | 25.8 | Very low | 117 Ų | 117 | 139.5 Ų | 139.5 | 82% | 0.818 | 81% | 0.808 | S | S | * | * | P | Polyproline II helix | trans | -64.5 | 119.7 | 172 | 41.5 | 0 | 0 | 0 | 0 | 110.9 | V716 A720 | V716-S718 PolarHBondContact O-N 3.14Å; S718-A720 PolarHBondContact O-N 3.16Å |
| 719 | L | 28.1 | Very low | 25.7 | Very low | 176 Ų | 176 | 143 Ų | 143 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -71.1 | 108.1 | 170.4 | -101.7 | 139.3 | 0 | 0 | 0 | 108.7 | P717 A721 | P717-L719 PolarHBondContact O-N 2.95Å; L719-A721 PolarHBondContact O-N 3.36Å | ||
| 720 | A | 27 | Very low | 25.8 | Very low | 89 Ų | 89 | 148.9 Ų | 148.9 | 74% | 0.736 | 83% | 0.83 | S | S | * | * | trans | -57.5 | 127.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S718 Q722 | S718-A720 PolarHBondContact O-N 3.16Å; A720-Q722 PolarHBondContact O-N 2.95Å | ||
| 721 | A | 24.4 | Very low | 25.8 | Very low | 98 Ų | 98 | 143.8 Ų | 143.8 | 81% | 0.81 | 82% | 0.821 | S | S | * | * | trans | -57.4 | 122 | 171.1 | 0 | 0 | 0 | 0 | 0 | 110.5 | L719 | L719-A721 PolarHBondContact O-N 3.36Š| ||
| 722 | Q | 27.7 | Very low | 25.7 | Very low | 197 Ų | 197 | 143.1 Ų | 143.1 | 92% | 0.921 | 82% | 0.817 | S | S | * | * | trans | -88.5 | 106.4 | 163.5 | -75 | -174.2 | -8.3 | 0 | 0 | 108.5 | A720 | A720-Q722 PolarHBondContact O-N 2.95Š| ||
| 723 | S | 23.8 | Very low | 25.6 | Very low | 115 Ų | 115 | 142.3 Ų | 142.3 | 80% | 0.804 | 81% | 0.812 | S | S | * | * | trans | -85.1 | 129.7 | 165 | 44.1 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 724 | S | 27.1 | Very low | 25.5 | Very low | 102 Ų | 102 | 141.9 Ų | 141.9 | 71% | 0.713 | 81% | 0.813 | S | S | * | * | trans | -168.8 | 91.8 | 153.3 | 57.4 | 0 | 0 | 0 | 0 | 106.7 | ||||
| 725 | S | 25.1 | Very low | 25.6 | Very low | 102 Ų | 102 | 140.6 Ų | 140.6 | 71% | 0.713 | 81% | 0.807 | S | S | * | * | 66.8 | 113.2 | 82.7 | 73.7 | 0 | 0 | 0 | 0 | 114.3 | |||||
| 726 | D | 27 | Very low | 25.6 | Very low | 136 Ų | 136 | 136.8 Ų | 136.8 | 73% | 0.727 | 80% | 0.801 | S | S | * | * | trans | 90.5 | 110.4 | 135.2 | -63.5 | -8.6 | 0 | 0 | 0 | 122.4 | ||||
| 727 | N | 24.7 | Very low | 25.7 | Very low | 148 Ų | 148 | 135.9 Ų | 135.9 | 79% | 0.791 | 80% | 0.796 | S | S | * | * | 69.8 | 108.9 | 126.9 | -64.3 | -31.1 | 0 | 0 | 0 | 119.9 | |||||
| 728 | A | 27.8 | Very low | 25.8 | Very low | 96 Ų | 96 | 136.6 Ų | 136.6 | 79% | 0.793 | 80% | 0.798 | S | S | * | * | -160.6 | 120.2 | 118.7 | 0 | 0 | 0 | 0 | 0 | 110.3 | E730 | A728-E730 PolarHBondContact O-N 3.05Š| |||
| 729 | K | 24.4 | Very low | 25.9 | Very low | 211 Ų | 211 | 138.3 Ų | 138.3 | 92% | 0.917 | 80% | 0.797 | S | S | * | * | trans | -73.3 | 111.8 | 165.5 | -71.9 | 173.5 | 175.5 | 175.4 | 0 | 107.9 | ||||
| 730 | E | 26.4 | Very low | 25.9 | Very low | 192 Ų | 192 | 135 Ų | 135 | 90% | 0.897 | 79% | 0.789 | S | S | * | * | trans | -118.7 | 95.9 | 157.6 | -95.9 | -178.6 | 166.5 | 0 | 0 | 108.6 | A728 | A728-E730 PolarHBondContact O-N 3.05Š| ||
| 731 | S | 24.2 | Very low | 25.9 | Very low | 106 Ų | 106 | 137 Ų | 137 | 74% | 0.741 | 79% | 0.792 | S | S | * | * | trans | -65.6 | 135.6 | 151.1 | 50.3 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 732 | V | 24.4 | Very low | 26 | Very low | 129 Ų | 129 | 140.4 Ų | 140.4 | 78% | 0.782 | 79% | 0.791 | S | S | * | * | trans | -178.7 | 120.2 | 134.9 | 150.3 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 733 | H | 23.2 | Very low | 26 | Very low | 173 Ų | 173 | 140 Ų | 140 | 80% | 0.801 | 79% | 0.786 | S | S | * | * | trans | 47.7 | 114.3 | 149.4 | -72.1 | -73.7 | 0 | 0 | 0 | 122.8 | D735 | H733-D735 PolarHBondContact O-N 3.43Š| ||
| 734 | H | 22.9 | Very low | 26.1 | Very low | 191 Ų | 191 | 141.2 Ų | 141.2 | 88% | 0.884 | 78% | 0.784 | S | S | * | * | trans | -33.6 | 119.9 | 142.6 | -75 | -60 | 0 | 0 | 0 | 112.9 | ||||
| 735 | D | 25.9 | Very low | 26 | Very low | 143 Ų | 143 | 143.1 Ų | 143.1 | 77% | 0.765 | 78% | 0.784 | S | S | * | * | trans | -120.5 | 128.5 | 147.7 | -156.1 | -3.3 | 0 | 0 | 0 | 109 | H733 | H733-D735 PolarHBondContact O-N 3.43Š| ||
| 736 | S | 25.9 | Very low | 26 | Very low | 101 Ų | 101 | 143.7 Ų | 143.7 | 71% | 0.706 | 79% | 0.787 | S | S | * | * | trans | -101.6 | 84.7 | -171.5 | 51.4 | 0 | 0 | 0 | 0 | 108.2 | V738 | S736-V738 PolarHBondContact O-N 3.32Š| ||
| 737 | T | 27.6 | Very low | 25.9 | Very low | 116 Ų | 116 | 145.8 Ų | 145.8 | 71% | 0.712 | 79% | 0.792 | S | S | * | * | trans | -84.4 | 105.4 | 169.7 | 43.2 | 0 | 0 | 0 | 0 | 109.4 | D739 | T737-D739 PolarHBondContact O-N 2.94Š| ||
| 738 | V | 29.2 | Very low | 25.9 | Very low | 131 Ų | 131 | 143.6 Ų | 143.6 | 79% | 0.794 | 79% | 0.789 | S | S | * | * | trans | -69.5 | 102.9 | 169 | 175.5 | 0 | 0 | 0 | 0 | 107.4 | S736 S740 | S736-V738 PolarHBondContact O-N 3.32Å; V738-S740 PolarHBondContact O-N 3.01Å; V738-S740 VanDerWaalsContact O-N 3.1Å | ||
| 739 | D | 26.7 | Very low | 25.7 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 78% | 0.784 | S | S | * | * | trans | -67.5 | 108.8 | 173.5 | -81.5 | -28.4 | 0 | 0 | 0 | 110 | T737 V741 | T737-D739 PolarHBondContact O-N 2.94Å; D739-V741 PolarHBondContact O-N 3.43Å | ||
| 740 | S | 27.7 | Very low | 25.8 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 75% | 0.748 | 78% | 0.777 | S | S | * | * | trans | -69.2 | 117.6 | 172.8 | 47.3 | 0 | 0 | 0 | 0 | 110.6 | V738 E742 | V738-S740 PolarHBondContact O-N 3.01Å; V738-S740 VanDerWaalsContact O-N 3.1Å; S740-E742 PolarHBondContact O-N 3.32Å | ||
| 741 | V | 29 | Very low | 25.6 | Very low | 131 Ų | 131 | 137.7 Ų | 137.7 | 79% | 0.794 | 77% | 0.766 | S | S | * | * | trans | -36.1 | 106.9 | 169.2 | 179.9 | 0 | 0 | 0 | 0 | 113.1 | D739 K743 | D739-V741 PolarHBondContact O-N 3.43Å; V741-K743 PolarHBondContact O-N 3.46Å | ||
| 742 | E | 24.9 | Very low | 25.7 | Very low | 170 Ų | 170 | 140.2 Ų | 140.2 | 79% | 0.794 | 77% | 0.765 | S | S | * | * | trans | -64.6 | 112.1 | 160.1 | -82.8 | -174.7 | 150.7 | 0 | 0 | 109.2 | S740 N744 | S740-E742 PolarHBondContact O-N 3.32Å; E742-N744 VanDerWaalsContact C-N 3.28Å; E742-N744 PolarHBondContact O-N 2.81Å | ||
| 743 | K | 27.8 | Very low | 25.8 | Very low | 188 Ų | 188 | 138.8 Ų | 138.8 | 82% | 0.817 | 76% | 0.761 | S | S | * | * | trans | -66.6 | 89.1 | 167 | -74.5 | 175.5 | 178.4 | 170.8 | 0 | 108.3 | V741 I745 | V741-K743 PolarHBondContact O-N 3.46Å; K743-I745 VanDerWaalsContact C-N 3.34Å; K743-I745 PolarHBondContact O-N 3.29Å | ||
| 744 | N | 25.3 | Very low | 26 | Very low | 140 Ų | 140 | 137.5 Ų | 137.5 | 75% | 0.749 | 76% | 0.76 | S | S | * | * | trans | -63.2 | 99.7 | 162 | -83 | -29.6 | 0 | 0 | 0 | 108.7 | E742 C746 | E742-N744 VanDerWaalsContact C-N 3.28Å; E742-N744 PolarHBondContact O-N 2.81Å; N744-C746 PolarHBondContact O-N 3.18Å | ||
| 745 | I | 26.6 | Very low | 26.2 | Very low | 142 Ų | 142 | 132.8 Ų | 132.8 | 73% | 0.728 | 75% | 0.749 | S | S | * | * | trans | -66.2 | 89.8 | 167.5 | -63.6 | 170.4 | 0 | 0 | 0 | 105.9 | K743 H747 | K743-I745 VanDerWaalsContact C-N 3.34Å; K743-I745 PolarHBondContact O-N 3.29Å; I745-H747 PolarHBondContact O-N 2.8Å; I745-H747 VanDerWaalsContact O-N 3.11Å | ||
| 746 | C | 23.7 | Very low | 26.2 | Very low | 115 Ų | 115 | 133.4 Ų | 133.4 | 78% | 0.777 | 75% | 0.75 | S | S | * | * | trans | -62.7 | 110.5 | 166 | -78.6 | 0 | 0 | 0 | 0 | 108.2 | N744 S748 | N744-C746 PolarHBondContact O-N 3.18Å; C746-S748 PolarHBondContact O-N 3.3Å | ||
| 747 | H | 25.2 | Very low | 26.2 | Very low | 179 Ų | 179 | 137 Ų | 137 | 83% | 0.829 | 75% | 0.753 | S | S | * | * | trans | -57.9 | 103.7 | 163.9 | -75 | -70.4 | 0 | 0 | 0 | 108.8 | I745 S749 | I745-H747 PolarHBondContact O-N 2.8Å; I745-H747 VanDerWaalsContact O-N 3.11Å; H747-S749 PolarHBondContact O-N 2.96Å | ||
| 748 | S | 24.4 | Very low | 26.1 | Very low | 103 Ų | 103 | 139.4 Ų | 139.4 | 72% | 0.72 | 76% | 0.757 | S | S | * | * | trans | -65.7 | 115.3 | 169.7 | 62.3 | 0 | 0 | 0 | 0 | 108.7 | C746 K750 | C746-S748 PolarHBondContact O-N 3.3Å; S748-K750 PolarHBondContact O-N 3.41Å | ||
| 749 | S | 24.5 | Very low | 26.1 | Very low | 98 Ų | 98 | 140 Ų | 140 | 69% | 0.685 | 76% | 0.756 | S | S | * | * | trans | -62.6 | 105.3 | 167.1 | 50.4 | 0 | 0 | 0 | 0 | 108.7 | H747 C751 | H747-S749 PolarHBondContact O-N 2.96Å; S749-C751 PolarHBondContact O-N 3.44Å | ||
| 750 | K | 26.3 | Very low | 26.1 | Very low | 178 Ų | 178 | 139.7 Ų | 139.7 | 77% | 0.774 | 75% | 0.753 | S | S | * | * | trans | -63.7 | 99.3 | 168.4 | -96 | 173.6 | 170.2 | 174.5 | 0 | 108.3 | S748 H752 | S748-K750 PolarHBondContact O-N 3.41Å; K750-H752 PolarHBondContact O-N 3.13Å | ||
| 751 | C | 23.2 | Very low | 26.1 | Very low | 99 Ų | 99 | 139.3 Ų | 139.3 | 67% | 0.669 | 75% | 0.75 | S | S | * | * | trans | -67 | 106.7 | 162.4 | -64 | 0 | 0 | 0 | 0 | 107.9 | S749 S753 | S749-C751 PolarHBondContact O-N 3.44Å; C751-S753 PolarHBondContact O-N 3.09Å | ||
| 752 | H | 25.5 | Very low | 26.2 | Very low | 158 Ų | 158 | 140 Ų | 140 | 73% | 0.731 | 75% | 0.75 | S | S | * | * | trans | -73.4 | 101.5 | 170 | -93 | -78.8 | 0 | 0 | 0 | 108.9 | K750 D754 | K750-H752 PolarHBondContact O-N 3.13Å; H752-D754 PolarHBondContact O-N 2.97Å | ||
| 753 | S | 25.9 | Very low | 26.2 | Very low | 100 Ų | 100 | 142.2 Ų | 142.2 | 70% | 0.699 | 75% | 0.752 | S | S | * | * | trans | -86.6 | 87.8 | 171.4 | 57.2 | 0 | 0 | 0 | 0 | 109.5 | C751 S755 | C751-S753 PolarHBondContact O-N 3.09Å; S753-S755 VanDerWaalsContact C-N 3.3Å; S753-S755 PolarHBondContact O-N 3.03Å | ||
| 754 | D | 27 | Very low | 26.1 | Very low | 146 Ų | 146 | 138.6 Ų | 138.6 | 78% | 0.781 | 75% | 0.751 | S | S | * | * | trans | -81.1 | 85.3 | 169.3 | -78.2 | -17.3 | 0 | 0 | 0 | 109.4 | H752 I756 | H752-D754 PolarHBondContact O-N 2.97Å; D754-I756 PolarHBondContact O-N 3.44Å | ||
| 755 | S | 27.1 | Very low | 26.2 | Very low | 92 Ų | 92 | 137.2 Ų | 137.2 | 64% | 0.643 | 75% | 0.752 | S | S | * | * | trans | -72.2 | 93.6 | 170.5 | 58 | 0 | 0 | 0 | 0 | 109.9 | S753 K757 | S753-S755 VanDerWaalsContact C-N 3.3Å; S753-S755 PolarHBondContact O-N 3.03Å; S755-K757 PolarHBondContact O-N 3.48Å; S755-K757 VanDerWaalsContact O-N 3.17Å | ||
| 756 | I | 26.2 | Very low | 26.3 | Very low | 155 Ų | 155 | 136.7 Ų | 136.7 | 80% | 0.795 | 76% | 0.755 | S | S | * | * | trans | -76.8 | 102.3 | 163.8 | -62.4 | 178.4 | 0 | 0 | 0 | 107.4 | D754 E758 | D754-I756 PolarHBondContact O-N 3.44Å; I756-E758 PolarHBondContact O-N 2.76Å | ||
| 757 | K | 27.3 | Very low | 26.5 | Very low | 177 Ų | 177 | 139.8 Ų | 139.8 | 77% | 0.77 | 76% | 0.758 | S | S | * | * | trans | -69.6 | 101.6 | 170.9 | -69.2 | 173.9 | 175.6 | 176.4 | 0 | 109.1 | S755 | S755-K757 PolarHBondContact O-N 3.48Å; S755-K757 VanDerWaalsContact O-N 3.17Å | ||
| 758 | E | 25.5 | Very low | 26.5 | Very low | 167 Ų | 167 | 140.6 Ų | 140.6 | 78% | 0.78 | 76% | 0.76 | S | S | * | * | trans | -92.7 | 107.1 | 159.2 | -79.6 | -168.9 | 167.9 | 0 | 0 | 109.3 | I756 L760 | I756-E758 PolarHBondContact O-N 2.76Å; E758-L760 PolarHBondContact O-N 3.32Å | ||
| 759 | N | 29.1 | Very low | 26.9 | Very low | 144 Ų | 144 | 140.2 Ų | 140.2 | 77% | 0.77 | 75% | 0.75 | S | S | * | * | trans | -67.1 | 103.3 | 168 | -68.2 | -37.5 | 0 | 0 | 0 | 108.7 | ||||
| 760 | L | 26.9 | Very low | 27.3 | Very low | 144 Ų | 144 | 144.5 Ų | 144.5 | 75% | 0.754 | 76% | 0.756 | S | S | * | * | trans | -113.9 | 79 | 151.3 | -94.5 | 94.9 | 0 | 0 | 0 | 108.3 | E758 D762 | E758-L760 PolarHBondContact O-N 3.32Å; L760-D762 PolarHBondContact O-N 3.09Å | ||
| 761 | S | 27 | Very low | 27.7 | Very low | 100 Ų | 100 | 143.2 Ų | 143.2 | 70% | 0.699 | 76% | 0.757 | S | S | * | * | trans | -68.4 | 105.3 | 151.8 | 51.5 | 0 | 0 | 0 | 0 | 107.3 | ||||
| 762 | D | 30.2 | Very low | 28.4 | Very low | 145 Ų | 145 | 143.1 Ų | 143.1 | 78% | 0.775 | 76% | 0.758 | S | S | * | * | trans | 166.5 | 60.4 | 142 | -81.4 | -10.7 | 0 | 0 | 0 | 108.8 | L760 | L760-D762 PolarHBondContact O-N 3.09Š| ||
| 763 | Y | 24.7 | Very low | 29 | Very low | 216 Ų | 216 | 142 Ų | 142 | 85% | 0.847 | 75% | 0.748 | S | S | * | * | S | Bend | trans | -135.7 | 121.8 | 158.2 | -90 | -82.5 | 0 | 0 | 0 | 108.2 | S765 | Y763-S765 PolarHBondContact O-N 3.34Š|
| 764 | S | 27 | Very low | 30.3 | Very low | 113 Ų | 113 | 139.3 Ų | 139.3 | 79% | 0.79 | 73% | 0.726 | S | S | * | * | trans | -52.6 | 107.9 | -177.9 | 40.4 | 0 | 0 | 0 | 0 | 110.7 | V766 | S764-V766 PolarHBondContact O-N 3.21Š| ||
| 765 | S | 27 | Very low | 31.3 | Very low | 110 Ų | 110 | 134 Ų | 134 | 77% | 0.769 | 70% | 0.7 | S | S | * | * | trans | -63.8 | 102 | 174.1 | 57.5 | 0 | 0 | 0 | 0 | 109.4 | Y763 Q767 | Y763-S765 PolarHBondContact O-N 3.34Å; S765-Q767 PolarHBondContact O-N 3.1Å; S765-Q767 VanDerWaalsContact O-N 3.08Å | ||
| 766 | V | 29.4 | Very low | 32.6 | Very low | 131 Ų | 131 | 130.8 Ų | 130.8 | 79% | 0.794 | 68% | 0.675 | S | S | * | * | trans | -65 | 107.2 | 157.4 | 179.5 | 0 | 0 | 0 | 0 | 105.9 | S764 F768 | S764-V766 PolarHBondContact O-N 3.21Å; V766-F768 PolarHBondContact O-N 2.72Å | ||
| 767 | Q | 27.4 | Very low | 34.4 | Very low | 181 Ų | 181 | 128.2 Ų | 128.2 | 85% | 0.846 | 67% | 0.667 | S | S | * | * | trans | -68.8 | 99 | -175.9 | -150.4 | 171.7 | 4 | 0 | 0 | 108.3 | S765 D769 | S765-Q767 PolarHBondContact O-N 3.1Å; S765-Q767 VanDerWaalsContact O-N 3.08Å; Q767-D769 PolarHBondContact O-N 3.33Å; Q767-D769 VanDerWaalsContact O-N 3.15Å | ||
| 768 | F | 25.8 | Very low | 36.7 | Very low | 196 Ų | 196 | 121.6 Ų | 121.6 | 86% | 0.86 | 64% | 0.64 | S | S | * | * | trans | -72.2 | 102.5 | 175.5 | -128.7 | -87.3 | 0 | 0 | 0 | 108.7 | V766 K770 | V766-F768 PolarHBondContact O-N 2.72Å; F768-K770 PolarHBondContact O-N 3.09Å; F768-K770 VanDerWaalsContact O-N 3.14Å | ||
| 769 | D | 33 | Very low | 39.4 | Very low | 95 Ų | 95 | 114.5 Ų | 114.5 | 51% | 0.508 | 61% | 0.607 | S | S | . | * | trans | -78 | 96.5 | -179.5 | -165.9 | 0.1 | 0 | 0 | 0 | 110.3 | Q767 N771 S772 | Q767-D769 PolarHBondContact O-N 3.33Å; Q767-D769 VanDerWaalsContact O-N 3.15Å; D769-N771 PolarHBondContact O-N 3.48Å; D769-N771 WeakPolarHBondContact OD1-CB 3.03Å; D769-N771 PolarHBondContact OD1-N 3.43Å; D769-N771 PolarHBondContact OD1-ND2 3.21Å; D769-N771 VanDerWaalsContact OD1-ND2 3.13Å; D769-S772 PolarHBondContact O-N 2.71Å; D769-S772 PolarHBondContact O-OG 3.06Å | ||
| 770 | K | 31.3 | Very low | 42 | Very low | 188 Ų | 188 | 110.3 Ų | 110.3 | 82% | 0.817 | 59% | 0.587 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.4 | -10.4 | 176.3 | -81.3 | -176 | 175.5 | -179.5 | 0 | 114 | F768 | F768-K770 PolarHBondContact O-N 3.09Å; F768-K770 VanDerWaalsContact O-N 3.14Å |
| 771 | N | 35.8 | Very low | 44.6 | Very low | 150 Ų | 150 | 105.8 Ų | 105.8 | 80% | 0.802 | 57% | 0.565 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -7.1 | 179.6 | -57.1 | -48.9 | 0 | 0 | 0 | 114 | D769 | D769-N771 PolarHBondContact O-N 3.48Å; D769-N771 WeakPolarHBondContact OD1-CB 3.03Å; D769-N771 PolarHBondContact OD1-N 3.43Å; D769-N771 PolarHBondContact OD1-ND2 3.21Å; D769-N771 VanDerWaalsContact OD1-ND2 3.13Å |
| 772 | S | 36.6 | Very low | 47.4 | Very low | 98 Ų | 98 | 101.7 Ų | 101.7 | 69% | 0.685 | 53% | 0.534 | S | S | * | . | S | Bend | trans | -100 | -11.7 | -179.4 | 74.9 | 0 | 0 | 0 | 0 | 115 | D769 D774 | D769-S772 PolarHBondContact O-N 2.71Å; D769-S772 PolarHBondContact O-OG 3.06Å; S772-D774 PolarHBondContact O-N 3.12Å |
| 773 | Y | 38.3 | Very low | 50.2 | Low | 134 Ų | 134 | 95 Ų | 95 | 53% | 0.525 | 50% | 0.498 | S | S | . | . | trans | -83 | 105.3 | -180 | -177.4 | -102.2 | 0 | 0 | 0 | 110.5 | P775 D778 T781 | Y773-P775 HydrophobicContact CE1-CB 3.94Å; Y773-P775 VanDerWaalsContact O-CD 3.25Å; Y773-P775 WeakPolarHBondContact O-CD 2.96Å; Y773-D778 PolarHBondContact OH-OD2 2.83Å; Y773-T781 PolarHBondContact OH-OG1 3.22Å | ||
| 774 | D | 53.7 | Low | 53.1 | Low | 43 Ų | 43 | 87.2 Ų | 87.2 | 23% | 0.23 | 48% | 0.475 | C | S | . | . | trans | -94 | 102 | 170.4 | -176.6 | 3.5 | 0 | 0 | 0 | 109.9 | F501 S772 N776 T777 | F501-D774 VanDerWaalsContact CE2-OD1 3.29Å; F501-D774 WeakPolarHBondContact CE2-OD1 3.47Å; S772-D774 PolarHBondContact O-N 3.12Å; D774-N776 PolarHBondContact O-N 2.72Å; D774-N776 WeakPolarHBondContact OD1-CB 3.45Å; D774-N776 PolarHBondContact OD1-N 3.43Å; D774-T777 HydrophobicContact CB-CG2 4.05Å; D774-T777 PolarHBondContact O-N 3.33Å; D774-T777 PolarHBondContact O-OG1 2.85Å | ||
| 775 | P | 49.1 | Very low | 55.9 | Low | 36 Ų | 36 | 82.1 Ų | 82.1 | 23% | 0.234 | 44% | 0.439 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -59.6 | -15.5 | 178.2 | 23.4 | -32.2 | 0 | 0 | 0 | 113.2 | Y773 T777 D778 | Y773-P775 HydrophobicContact CE1-CB 3.94Å; Y773-P775 VanDerWaalsContact O-CD 3.25Å; Y773-P775 WeakPolarHBondContact O-CD 2.96Å; P775-T777 VanDerWaalsContact C-N 3.29Å; P775-T777 PolarHBondContact O-N 3.42Å; P775-D778 PolarHBondContact O-N 3.01Å |
| 776 | N | 53.8 | Low | 58.9 | Low | 24 Ų | 24 | 77 Ų | 77 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -68.2 | -28.9 | 171.6 | -76.9 | -24.3 | 0 | 0 | 0 | 114.5 | F501 D774 D778 R782 | F501-N776 WeakPolarHBondContact CB-ND2 3.24Å; F501-N776 WeakPolarHBondContact CD2-ND2 3.45Å; F501-N776 WeakPolarHBondContact CE2-ND2 3.46Å; F501-N776 WeakPolarHBondContact CG-ND2 3.4Å; D774-N776 PolarHBondContact O-N 2.72Å; D774-N776 WeakPolarHBondContact OD1-CB 3.45Å; D774-N776 PolarHBondContact OD1-N 3.43Å; N776-D778 VanDerWaalsContact C-N 3.26Å; N776-R782 VanDerWaalsContact CA-NH2 3.26Å; N776-R782 VanDerWaalsContact CG-NH2 3.28Å; N776-R782 PolarHBondContact O-NE 2.76Å; N776-R782 PolarHBondContact O-NH2 2.75Å; N776-R782 PolarHBondContact OD1-NH2 2.69Å; N776-R782 VanDerWaalsContact OD1-NH2 3.13Å |
| 777 | T | 62.6 | Low | 61.7 | Low | 100 Ų | 100 | 72 Ų | 72 | 61% | 0.613 | 37% | 0.374 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -81.6 | -13.1 | -179.6 | 62.9 | 0 | 0 | 0 | 0 | 111.5 | D774 P775 I779 | D774-T777 HydrophobicContact CB-CG2 4.05Å; D774-T777 PolarHBondContact O-N 3.33Å; D774-T777 PolarHBondContact O-OG1 2.85Å; P775-T777 VanDerWaalsContact C-N 3.29Å; P775-T777 PolarHBondContact O-N 3.42Å; T777-I779 WeakPolarHBondContact O-CD1 3.41Å; T777-I779 PolarHBondContact O-N 3.17Å |
| 778 | D | 75.6 | Confident | 64.4 | Low | 39 Ų | 39 | 64.8 Ų | 64.8 | 21% | 0.209 | 34% | 0.339 | C | S | . | . | trans | -92.1 | 97.3 | 178.1 | -174.8 | -7.5 | 0 | 0 | 0 | 111.3 | Y773 P775 N776 T780 T781 R782 | Y773-D778 PolarHBondContact OH-OD2 2.83Å; P775-D778 PolarHBondContact O-N 3.01Å; N776-D778 VanDerWaalsContact C-N 3.26Å; D778-T780 VanDerWaalsContact C-N 3.25Å; D778-T780 PolarHBondContact O-N 3.48Å; D778-T780 WeakPolarHBondContact OD1-CA 3.48Å; D778-T780 VanDerWaalsContact OD1-CB 3.29Å; D778-T780 WeakPolarHBondContact OD1-CB 3.3Å; D778-T780 PolarHBondContact OD1-N 2.8Å; D778-T781 VanDerWaalsContact CG-OG1 3.25Å; D778-T781 PolarHBondContact O-N 3.26Å; D778-T781 PolarHBondContact OD1-N 3.48Å; D778-T781 VanDerWaalsContact OD1-N 3.11Å; D778-T781 WeakPolarHBondContact OD2-CB 3.15Å; D778-T781 PolarHBondContact OD2-OG1 2.73Å; D778-R782 PolarHBondContact O-N 2.76Å | ||
| 779 | I | 83.9 | Confident | 67.4 | Low | 18 Ų | 18 | 55.8 Ų | 55.8 | 9% | 0.092 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -59.7 | -37.5 | 176.8 | -75.3 | 81.1 | 0 | 0 | 0 | 111.1 | T777 T781 R782 I783 Q864 F911 I913 | T777-I779 WeakPolarHBondContact O-CD1 3.41Å; T777-I779 PolarHBondContact O-N 3.17Å; I779-T781 VanDerWaalsContact C-N 3.34Å; I779-T781 PolarHBondContact O-N 3.03Å; I779-R782 PolarHBondContact O-N 3.44Å; I779-I783 HydrophobicContact CG2-CD1 3.69Å; I779-I783 HydrophobicContact CG2-CG1 4.21Å; I779-I783 WeakPolarHBondContact O-CG1 3.28Å; I779-I783 PolarHBondContact O-N 3.2Å; I779-Q864 HydrophobicContact CG1-CB 4.43Å; I779-F911 HydrophobicContact CG2-CD1 4.25Å; I779-F911 HydrophobicContact CG2-CE1 4.48Å; I779-I913 HydrophobicContact CG2-CD1 3.66Å; I779-I913 HydrophobicContact CG2-CG1 3.76Å |
| 780 | T | 83.2 | Confident | 69.7 | Low | 55 Ų | 55 | 52.6 Ų | 52.6 | 34% | 0.337 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -64 | -43.8 | -178.3 | -48.7 | 0 | 0 | 0 | 0 | 110.4 | D778 R782 I783 S784 F911 | D778-T780 VanDerWaalsContact C-N 3.25Å; D778-T780 PolarHBondContact O-N 3.48Å; D778-T780 WeakPolarHBondContact OD1-CA 3.48Å; D778-T780 VanDerWaalsContact OD1-CB 3.29Å; D778-T780 WeakPolarHBondContact OD1-CB 3.3Å; D778-T780 PolarHBondContact OD1-N 2.8Å; T780-R782 VanDerWaalsContact C-N 3.33Å; T780-R782 PolarHBondContact O-N 3.49Å; T780-I783 PolarHBondContact O-N 3.14Å; T780-S784 WeakPolarHBondContact O-CB 3.39Å; T780-S784 PolarHBondContact O-N 3.32Å; T780-F911 HydrophobicContact CG2-CD2 4.16Å; T780-F911 HydrophobicContact CG2-CE2 4.07Å; T780-F911 HydrophobicContact CG2-CZ 4.48Å; T780-F911 VanDerWaalsContact OG1-CB 3.27Å; T780-F911 WeakPolarHBondContact OG1-CB 3.38Å; T780-F911 WeakPolarHBondContact OG1-CD1 3.39Å; T780-F911 VanDerWaalsContact OG1-CD2 3.22Å; T780-F911 WeakPolarHBondContact OG1-CD2 3.49Å; T780-F911 WeakPolarHBondContact OG1-CG 3.4Å |
| 781 | T | 82.2 | Confident | 72.5 | Confident | 50 Ų | 50 | 43.6 Ų | 43.6 | 31% | 0.307 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -62.2 | -39.7 | 175 | -68.6 | 0 | 0 | 0 | 0 | 111.7 | Y773 D778 I779 L785 | Y773-T781 PolarHBondContact OH-OG1 3.22Å; D778-T781 VanDerWaalsContact CG-OG1 3.25Å; D778-T781 PolarHBondContact O-N 3.26Å; D778-T781 PolarHBondContact OD1-N 3.48Å; D778-T781 VanDerWaalsContact OD1-N 3.11Å; D778-T781 WeakPolarHBondContact OD2-CB 3.15Å; D778-T781 PolarHBondContact OD2-OG1 2.73Å; I779-T781 VanDerWaalsContact C-N 3.34Å; I779-T781 PolarHBondContact O-N 3.03Å; T781-L785 VanDerWaalsContact O-CB 3.31Å; T781-L785 WeakPolarHBondContact O-CB 3.44Å; T781-L785 PolarHBondContact O-N 3.49Å |
| 782 | R | 85.8 | Confident | 75.2 | Confident | 14 Ų | 14 | 36.6 Ų | 36.6 | 5% | 0.053 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -64.6 | -48.5 | 175.3 | -68 | -177.5 | -178.9 | -104.3 | -1.7 | 112.5 | N776 D778 I779 T780 S784 L785 F786 S857 I861 | N776-R782 VanDerWaalsContact CA-NH2 3.26Å; N776-R782 VanDerWaalsContact CG-NH2 3.28Å; N776-R782 PolarHBondContact O-NE 2.76Å; N776-R782 PolarHBondContact O-NH2 2.75Å; N776-R782 PolarHBondContact OD1-NH2 2.69Å; N776-R782 VanDerWaalsContact OD1-NH2 3.13Å; D778-R782 PolarHBondContact O-N 2.76Å; I779-R782 PolarHBondContact O-N 3.44Å; T780-R782 VanDerWaalsContact C-N 3.33Å; T780-R782 PolarHBondContact O-N 3.49Å; R782-S784 VanDerWaalsContact C-N 3.35Å; R782-S784 PolarHBondContact O-N 2.93Å; R782-L785 WeakPolarHBondContact O-CB 3.08Å; R782-L785 PolarHBondContact O-N 3.42Å; R782-L785 VanDerWaalsContact O-N 3.14Å; R782-F786 HydrophobicContact CB-CD2 4.44Å; R782-F786 HydrophobicContact CB-CE2 4.34Å; R782-F786 WeakPolarHBondContact O-CD2 2.85Å; R782-F786 PolarHBondContact O-N 3.44Å; R782-S857 PolarHBondContact NH1-O 2.98Å; R782-I861 HydrophobicContact CB-CD1 3.97Å; R782-I861 HydrophobicContact CB-CG1 4.24Å |
| 783 | I | 87.9 | Confident | 77.7 | Confident | 4 Ų | 4 | 32.8 Ų | 32.8 | 2% | 0.021 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -59.6 | -47.7 | 179.2 | -68.6 | 172.2 | 0 | 0 | 0 | 110.1 | I779 T780 L785 F786 S787 I861 F911 I913 I1001 T1004 V1005 | I779-I783 HydrophobicContact CG2-CD1 3.69Å; I779-I783 HydrophobicContact CG2-CG1 4.21Å; I779-I783 WeakPolarHBondContact O-CG1 3.28Å; I779-I783 PolarHBondContact O-N 3.2Å; T780-I783 PolarHBondContact O-N 3.14Å; I783-L785 VanDerWaalsContact C-N 3.25Å; I783-L785 PolarHBondContact O-N 3.11Å; I783-F786 PolarHBondContact O-N 3.34Å; I783-S787 WeakPolarHBondContact O-CB 3.35Å; I783-S787 PolarHBondContact O-N 3.24Å; I783-I861 HydrophobicContact CD1-CG2 4.48Å; I783-I861 HydrophobicContact CG1-CD1 4Å; I783-I861 HydrophobicContact CG1-CG1 4.38Å; I783-I861 HydrophobicContact CG1-CG2 4.29Å; I783-F911 HydrophobicContact CD1-CE1 4.01Å; I783-I913 HydrophobicContact CD1-CD1 4.4Å; I783-I913 HydrophobicContact CD1-CG1 4.19Å; I783-I913 HydrophobicContact CD1-CG2 4.42Å; I783-I1001 HydrophobicContact CG2-CG1 4.23Å; I783-I1001 HydrophobicContact CG2-CG2 4.24Å; I783-T1004 HydrophobicContact CG2-CG2 4.27Å; I783-V1005 HydrophobicContact CD1-CG2 4.38Å |
| 784 | S | 85.1 | Confident | 80.2 | Confident | 52 Ų | 52 | 26.5 Ų | 26.5 | 36% | 0.364 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -60.3 | -34.8 | 176.3 | 175.9 | 0 | 0 | 0 | 0 | 112.8 | T780 R782 S787 R788 | T780-S784 WeakPolarHBondContact O-CB 3.39Å; T780-S784 PolarHBondContact O-N 3.32Å; R782-S784 VanDerWaalsContact C-N 3.35Å; R782-S784 PolarHBondContact O-N 2.93Å; S784-S787 PolarHBondContact O-OG 2.99Å; S784-R788 WeakPolarHBondContact O-CG 3.38Å; S784-R788 PolarHBondContact O-NE 3.2Å |
| 785 | L | 85.7 | Confident | 82.1 | Confident | 6 Ų | 6 | 24.5 Ų | 24.5 | 3% | 0.031 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -68 | -51.6 | 175.9 | 178.5 | 135.4 | 0 | 0 | 0 | 111.3 | I494 R497 L498 T781 R782 I783 S787 R788 L789 | I494-L785 HydrophobicContact CG1-CD2 3.94Å; R497-L785 HydrophobicContact CB-CD1 3.32Å; R497-L785 HydrophobicContact CG-CD1 3.95Å; L498-L785 HydrophobicContact CG-CD1 4.5Å; T781-L785 VanDerWaalsContact O-CB 3.31Å; T781-L785 WeakPolarHBondContact O-CB 3.44Å; T781-L785 PolarHBondContact O-N 3.49Å; R782-L785 WeakPolarHBondContact O-CB 3.08Å; R782-L785 PolarHBondContact O-N 3.42Å; R782-L785 VanDerWaalsContact O-N 3.14Å; I783-L785 VanDerWaalsContact C-N 3.25Å; I783-L785 PolarHBondContact O-N 3.11Å; L785-S787 PolarHBondContact O-N 3.49Å; L785-R788 PolarHBondContact O-N 3Å; L785-L789 HydrophobicContact CD2-CD1 4.22Å; L785-L789 WeakPolarHBondContact O-CG 3.35Å |
| 786 | F | 90.7 | Very high | 84.2 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 1% | 0.009 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -64.1 | -37.9 | -178.4 | -74.3 | -66 | 0 | 0 | 0 | 112.6 | I494 R782 I783 R788 L789 F792 L854 I858 I861 T1004 | I494-F786 HydrophobicContact CD1-CD1 4.32Å; I494-F786 HydrophobicContact CD1-CE1 3.55Å; I494-F786 HydrophobicContact CD1-CZ 4.35Å; I494-F786 HydrophobicContact CG1-CE1 4.1Å; R782-F786 HydrophobicContact CB-CD2 4.44Å; R782-F786 HydrophobicContact CB-CE2 4.34Å; R782-F786 WeakPolarHBondContact O-CD2 2.85Å; R782-F786 PolarHBondContact O-N 3.44Å; I783-F786 PolarHBondContact O-N 3.34Å; F786-R788 PolarHBondContact O-N 2.94Å; F786-R788 VanDerWaalsContact O-N 3.11Å; F786-L789 HydrophobicContact CD1-CD1 3.96Å; F786-L789 PolarHBondContact O-N 3.39Å; F786-L789 VanDerWaalsContact O-N 3.15Å; F786-F792 HydrophobicContact CB-CE1 4.31Å; F786-F792 HydrophobicContact CD1-CE1 4.27Å; F786-F792 HydrophobicContact CD1-CE2 4.17Å; F786-F792 HydrophobicContact CD1-CZ 4.01Å; F786-F792 HydrophobicContact CE1-CE2 4.43Å; F786-F792 HydrophobicContact CE1-CZ 4.48Å; F786-L854 HydrophobicContact CE1-CD1 4.08Å; F786-I858 HydrophobicContact CE1-CG1 3.98Å; F786-I858 HydrophobicContact CE2-CG1 4.34Å; F786-I858 HydrophobicContact CZ-CG1 3.74Å; F786-I861 HydrophobicContact CD2-CD1 3.61Å; F786-I861 HydrophobicContact CE2-CD1 3.74Å; F786-T1004 HydrophobicContact CB-CG2 3.55Å |
| 787 | S | 88.1 | Confident | 86 | Confident | 26 Ų | 26 | 22.2 Ų | 22.2 | 18% | 0.182 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.5 | -23.3 | 179.2 | 75.1 | 0 | 0 | 0 | 0 | 113.3 | I783 S784 L785 T1004 | I783-S787 WeakPolarHBondContact O-CB 3.35Å; I783-S787 PolarHBondContact O-N 3.24Å; S784-S787 PolarHBondContact O-OG 2.99Å; L785-S787 PolarHBondContact O-N 3.49Å; S787-T1004 WeakPolarHBondContact CA-OG1 3.39Å; S787-T1004 WeakPolarHBondContact CB-OG1 3.25Å |
| 788 | R | 85 | Confident | 87.5 | Confident | 31 Ų | 31 | 17.6 Ų | 17.6 | 12% | 0.117 | 10% | 0.1 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.7 | -9.6 | -178.7 | -65 | 179.5 | -68.7 | 158.2 | -17.2 | 114.3 | V341 K342 E344 S784 L785 F786 Y790 | V341-R788 CarbonylContact C-O 3.58Å; V341-R788 VanDerWaalsContact CA-O 3.24Å; V341-R788 WeakPolarHBondContact CA-O 3.46Å; V341-R788 HydrophobicContact CG1-CB 3.7Å; K342-R788 HydrophobicContact CB-CB 4.12Å; K342-R788 HydrophobicContact CB-CG 4.29Å; K342-R788 PolarHBondContact N-O 3.39Å; K342-R788 WeakPolarHBondContact O-CD 3.11Å; E344-R788 IonicContact OE1-CZ 3.87Å; E344-R788 VanDerWaalsContact OE1-CZ 3.27Å; E344-R788 IonicContact OE1-NH1 3.8Å; E344-R788 PolarHBondContact OE1-NH1 3.25Å; E344-R788 IonicContact OE1-NH2 2.83Å; E344-R788 PolarHBondContact OE1-NH2 3.35Å; S784-R788 WeakPolarHBondContact O-CG 3.38Å; S784-R788 PolarHBondContact O-NE 3.2Å; L785-R788 PolarHBondContact O-N 3Å; F786-R788 PolarHBondContact O-N 2.94Å; F786-R788 VanDerWaalsContact O-N 3.11Å; R788-Y790 PolarHBondContact O-N 3.25Å |
| 789 | L | 87.5 | Confident | 88.3 | Confident | 6 Ų | 6 | 16 Ų | 16 | 3% | 0.031 | 9% | 0.091 | C | C | . | . | B | Isolated β-bridge | trans | -81.6 | 100.5 | -175.7 | -58.6 | 180 | 0 | 0 | 0 | 111 | V341 V490 Q493 I494 L785 F786 L791 F792 | V341-L789 HydrophobicContact CG2-CD2 3.97Å; V490-L789 HydrophobicContact CG1-CD1 4.25Å; Q493-L789 HydrophobicContact CB-CD2 4.05Å; I494-L789 HydrophobicContact CD1-CD1 4Å; I494-L789 HydrophobicContact CG1-CD1 3.7Å; L785-L789 HydrophobicContact CD2-CD1 4.22Å; L785-L789 WeakPolarHBondContact O-CG 3.35Å; F786-L789 HydrophobicContact CD1-CD1 3.96Å; F786-L789 PolarHBondContact O-N 3.39Å; F786-L789 VanDerWaalsContact O-N 3.15Å; L789-L791 PolarHBondContact O-N 3.14Å; L789-F792 HydrophobicContact CB-CB 3.8Å; L789-F792 WeakPolarHBondContact O-CB 3.26Å; L789-F792 PolarHBondContact O-N 3.43Å |
| 790 | Y | 82.1 | Confident | 88.6 | Confident | 28 Ų | 28 | 15.5 Ų | 15.5 | 11% | 0.11 | 9% | 0.088 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -36.7 | -177.6 | -77.4 | -56.5 | 0 | 0 | 0 | 113.6 | T340 K342 I383 H632 R788 F792 | T340-Y790 PolarHBondContact O-N 2.75Å; K342-Y790 HydrophobicContact CB-CE1 4.29Å; K342-Y790 HydrophobicContact CB-CE2 4.15Å; I383-Y790 WeakPolarHBondContact CD1-O 3.36Å; H632-Y790 AromaticContact CE1-CE1 3.67Å; H632-Y790 AromaticContact NE2-CE1 3.52Å; H632-Y790 AromaticContact NE2-CZ 3.91Å; H632-Y790 PolarHBondContact NE2-OH 2.52Å; R788-Y790 PolarHBondContact O-N 3.25Å; Y790-F792 VanDerWaalsContact C-N 3.25Å; Y790-F792 PolarHBondContact O-N 2.7Å |
| 791 | L | 89.5 | Confident | 88.9 | Confident | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 7% | 0.072 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -78.5 | -7.8 | -179.5 | -66.2 | -177.9 | 0 | 0 | 0 | 113.3 | L333 T340 F382 Y486 H489 V490 L789 S793 S794 V795 | L333-L791 HydrophobicContact CD2-CD1 3.75Å; T340-L791 HydrophobicContact CG2-CD1 4.44Å; F382-L791 HydrophobicContact CB-CD2 3.73Å; F382-L791 HydrophobicContact CG-CD2 4.49Å; Y486-L791 HydrophobicContact CD1-CD1 4.29Å; Y486-L791 HydrophobicContact CD2-CD2 3.77Å; Y486-L791 HydrophobicContact CE2-CD2 4.01Å; Y486-L791 HydrophobicContact CG-CD1 4.17Å; Y486-L791 HydrophobicContact CG-CD2 4.06Å; H489-L791 HydrophobicContact CB-CD1 4.23Å; V490-L791 HydrophobicContact CG2-CB 3.53Å; L789-L791 PolarHBondContact O-N 3.14Å; L791-S793 VanDerWaalsContact C-N 3.35Å; L791-S793 PolarHBondContact O-N 2.93Å; L791-S794 WeakPolarHBondContact O-CA 3.3Å; L791-S794 VanDerWaalsContact O-CB 3.28Å; L791-S794 WeakPolarHBondContact O-CB 3.34Å; L791-S794 PolarHBondContact O-N 3.19Å; L791-V795 PolarHBondContact O-N 3.48Å; L791-V795 VanDerWaalsContact O-N 3.1Å |
| 792 | F | 91.7 | Very high | 89.2 | Confident | 2 Ų | 2 | 12 Ų | 12 | 1% | 0.009 | 7% | 0.066 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 179.2 | -170.2 | -131.8 | 0 | 0 | 0 | 111.8 | V490 F786 L789 Y790 S794 V795 K796 L854 I858 R1007 L1011 | V490-F792 HydrophobicContact CG1-CD2 4.31Å; F786-F792 HydrophobicContact CB-CE1 4.31Å; F786-F792 HydrophobicContact CD1-CE1 4.27Å; F786-F792 HydrophobicContact CD1-CE2 4.17Å; F786-F792 HydrophobicContact CD1-CZ 4.01Å; F786-F792 HydrophobicContact CE1-CE2 4.43Å; F786-F792 HydrophobicContact CE1-CZ 4.48Å; L789-F792 HydrophobicContact CB-CB 3.8Å; L789-F792 WeakPolarHBondContact O-CB 3.26Å; L789-F792 PolarHBondContact O-N 3.43Å; Y790-F792 VanDerWaalsContact C-N 3.25Å; Y790-F792 PolarHBondContact O-N 2.7Å; F792-S794 PolarHBondContact O-N 3.19Å; F792-V795 PolarHBondContact O-N 3.16Å; F792-K796 PolarHBondContact O-N 2.66Å; F792-L854 HydrophobicContact CE2-CD1 4.33Å; F792-L854 HydrophobicContact CE2-CD2 4.43Å; F792-I858 HydrophobicContact CE2-CD1 3.92Å; F792-I858 HydrophobicContact CZ-CD1 3.87Å; F792-I858 HydrophobicContact CZ-CG1 4.46Å; F792-R1007 HydrophobicContact CD1-CB 4.31Å; F792-R1007 HydrophobicContact CE1-CB 3.76Å; F792-R1007 HydrophobicContact CZ-CB 4.49Å; F792-L1011 HydrophobicContact CD2-CD1 4.17Å; F792-L1011 HydrophobicContact CE1-CD1 4.39Å; F792-L1011 HydrophobicContact CE2-CD1 3.27Å; F792-L1011 HydrophobicContact CZ-CD1 3.41Å; F792-L1011 VanDerWaalsContact CZ-CD1 3.41Å |
| 793 | S | 90.1 | Very high | 89.1 | Confident | 19 Ų | 19 | 14.1 Ų | 14.1 | 13% | 0.133 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -60 | -32.3 | 171 | -60.7 | 0 | 0 | 0 | 0 | 113 | L791 L797 E970 R1007 | L791-S793 VanDerWaalsContact C-N 3.35Å; L791-S793 PolarHBondContact O-N 2.93Å; S793-L797 VanDerWaalsContact O-CB 3.29Å; S793-L797 WeakPolarHBondContact O-CB 3.45Å; S793-L797 PolarHBondContact O-N 2.75Å; S793-E970 WeakPolarHBondContact CA-OE1 3.38Å; S793-E970 VanDerWaalsContact CB-OE1 3.31Å; S793-E970 WeakPolarHBondContact CB-OE1 3.36Å; S793-E970 PolarHBondContact OG-OE1 3.44Å; S793-E970 PolarHBondContact OG-OE2 3.22Å; S793-R1007 PolarHBondContact OG-NE 2.89Å |
| 794 | S | 91.1 | Very high | 88.8 | Confident | 1 Ų | 1 | 14 Ų | 14 | 1% | 0.007 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -70 | -37.2 | 177 | -60 | 0 | 0 | 0 | 0 | 112.2 | I383 L791 F792 F798 | I383-S794 WeakPolarHBondContact CG1-OG 3.5Å; L791-S794 WeakPolarHBondContact O-CA 3.3Å; L791-S794 VanDerWaalsContact O-CB 3.28Å; L791-S794 WeakPolarHBondContact O-CB 3.34Å; L791-S794 PolarHBondContact O-N 3.19Å; F792-S794 PolarHBondContact O-N 3.19Å; S794-F798 WeakPolarHBondContact O-CB 3.29Å; S794-F798 PolarHBondContact O-N 3.21Å |
| 795 | V | 93.5 | Very high | 88 | Confident | 2 Ų | 2 | 14.8 Ų | 14.8 | 1% | 0.012 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -63.3 | -47 | 176.3 | 174.6 | 0 | 0 | 0 | 0 | 110.4 | L487 V490 L791 F792 F798 L799 F847 L851 L854 L1011 | L487-V795 HydrophobicContact CB-CG2 4.28Å; L487-V795 HydrophobicContact CD1-CG1 3.94Å; L487-V795 HydrophobicContact CD1-CG2 4.04Å; V490-V795 HydrophobicContact CB-CG2 4.43Å; V490-V795 HydrophobicContact CG2-CG2 4.01Å; L791-V795 PolarHBondContact O-N 3.48Å; L791-V795 VanDerWaalsContact O-N 3.1Å; F792-V795 PolarHBondContact O-N 3.16Å; V795-F798 PolarHBondContact O-N 3.39Å; V795-L799 HydrophobicContact CG1-CD1 4.22Å; V795-L799 WeakPolarHBondContact O-CB 3.14Å; V795-L799 PolarHBondContact O-N 3.27Å; V795-F847 HydrophobicContact CG1-CZ 4.45Å; V795-L851 HydrophobicContact CG1-CD1 4.45Å; V795-L854 HydrophobicContact CG1-CD2 4.1Å; V795-L1011 HydrophobicContact CG1-CD2 4.45Å |
| 796 | K | 93.3 | Very high | 87.3 | Confident | 6 Ų | 6 | 15.6 Ų | 15.6 | 3% | 0.026 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -60.3 | -51.6 | 176.8 | -171.6 | -85.2 | -175.1 | -175.3 | 0 | 111.3 | F792 F798 L799 D800 E970 D971 S1010 L1011 | F792-K796 PolarHBondContact O-N 2.66Å; K796-F798 VanDerWaalsContact C-N 3.32Å; K796-F798 PolarHBondContact O-N 3.43Å; K796-L799 WeakPolarHBondContact O-CB 3.14Å; K796-L799 PolarHBondContact O-N 2.91Å; K796-D800 WeakPolarHBondContact CD-OD2 3.47Å; K796-D800 VanDerWaalsContact CE-OD2 3.27Å; K796-D800 WeakPolarHBondContact CE-OD2 3.29Å; K796-D800 IonicContact NZ-OD1 3.83Å; K796-D800 IonicContact NZ-OD2 3.58Å; K796-D800 PolarHBondContact NZ-OD2 3.03Å; K796-D800 PolarHBondContact O-N 3.16Å; K796-E970 HydrophobicContact CD-CG 4.36Å; K796-D971 IonicContact NZ-OD1 2.69Å; K796-D971 PolarHBondContact NZ-OD1 2.71Å; K796-D971 IonicContact NZ-OD2 2.75Å; K796-S1010 WeakPolarHBondContact CE-OG 3.48Å; K796-L1011 HydrophobicContact CB-CD2 4.15Å; K796-L1011 HydrophobicContact CB-CG 4.45Å; K796-L1011 HydrophobicContact CG-CD2 4.38Å; K796-L1011 HydrophobicContact CG-CG 4.49Å |
| 797 | L | 91.1 | Very high | 86.4 | Confident | 6 Ų | 6 | 16.2 Ų | 16.2 | 3% | 0.031 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -59.6 | -41.6 | 179.3 | -176 | 82.2 | 0 | 0 | 0 | 112.6 | L387 S793 D800 W801 E970 L974 | L387-L797 HydrophobicContact CD2-CD2 3.44Å; L387-L797 VanDerWaalsContact CD2-CD2 3.44Å; L387-L797 HydrophobicContact CG-CD2 4.09Å; S793-L797 VanDerWaalsContact O-CB 3.29Å; S793-L797 WeakPolarHBondContact O-CB 3.45Å; S793-L797 PolarHBondContact O-N 2.75Å; L797-D800 WeakPolarHBondContact O-CB 3.45Å; L797-D800 PolarHBondContact O-N 3.22Å; L797-W801 PolarHBondContact O-N 3.22Å; L797-E970 HydrophobicContact CD1-CB 4.48Å; L797-L974 HydrophobicContact CD1-CD1 4.2Å; L797-L974 HydrophobicContact CD1-CG 4.45Å; L797-L974 HydrophobicContact CD2-CD1 4.37Å; L797-L974 HydrophobicContact CG-CD1 4.42Å |
| 798 | F | 94 | Very high | 85.3 | Confident | 3 Ų | 3 | 22.5 Ų | 22.5 | 1% | 0.013 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -67.3 | -38.1 | 178.9 | -176.4 | -110.1 | 0 | 0 | 0 | 112 | L386 I390 A479 L480 S794 V795 K796 W801 L802 F847 | L386-F798 HydrophobicContact CD1-CD2 3.89Å; L386-F798 HydrophobicContact CD1-CE2 4.37Å; L386-F798 HydrophobicContact CD2-CB 4.2Å; I390-F798 HydrophobicContact CD1-CD2 4.48Å; A479-F798 WeakPolarHBondContact O-CE2 3.47Å; L480-F798 HydrophobicContact CD2-CZ 4.03Å; S794-F798 WeakPolarHBondContact O-CB 3.29Å; S794-F798 PolarHBondContact O-N 3.21Å; V795-F798 PolarHBondContact O-N 3.39Å; K796-F798 VanDerWaalsContact C-N 3.32Å; K796-F798 PolarHBondContact O-N 3.43Å; F798-W801 AromaticContact CD2-CE3 3.91Å; F798-W801 HydrophobicContact CD2-CE3 3.91Å; F798-W801 HydrophobicContact CD2-CZ3 4.24Å; F798-W801 AromaticContact CE2-CE3 3.75Å; F798-W801 HydrophobicContact CE2-CE3 3.75Å; F798-W801 AromaticContact CE2-CZ3 3.64Å; F798-W801 HydrophobicContact CE2-CZ3 3.64Å; F798-W801 HydrophobicContact CZ-CZ3 4.43Å; F798-W801 PolarHBondContact O-N 2.95Å; F798-L802 HydrophobicContact CD1-CD1 3.81Å; F798-L802 HydrophobicContact CD1-CG 4.32Å; F798-L802 HydrophobicContact CE1-CD1 3.3Å; F798-L802 HydrophobicContact CE1-CG 3.95Å; F798-L802 HydrophobicContact CE2-CG 4.41Å; F798-L802 HydrophobicContact CZ-CD1 3.74Å; F798-L802 HydrophobicContact CZ-CD2 4.24Å; F798-L802 HydrophobicContact CZ-CG 3.99Å; F798-L802 WeakPolarHBondContact O-CG 3.07Å; F798-L802 PolarHBondContact O-N 3.02Å; F798-F847 HydrophobicContact CD1-CD2 4.07Å; F798-F847 HydrophobicContact CD1-CE1 4.37Å; F798-F847 AromaticContact CD1-CE2 3.38Å; F798-F847 HydrophobicContact CD1-CE2 3.38Å; F798-F847 AromaticContact CD1-CZ 3.56Å; F798-F847 HydrophobicContact CD1-CZ 3.56Å; F798-F847 AromaticContact CE1-CD2 3.71Å; F798-F847 HydrophobicContact CE1-CD2 3.71Å; F798-F847 AromaticContact CE1-CE2 3.52Å; F798-F847 HydrophobicContact CE1-CE2 3.52Å; F798-F847 HydrophobicContact CE1-CG 4.31Å; F798-F847 AromaticContact CE1-CZ 3.97Å; F798-F847 HydrophobicContact CE1-CZ 3.97Å |
| 799 | L | 91.8 | Very high | 83.7 | Confident | 6 Ų | 6 | 26.5 Ų | 26.5 | 3% | 0.031 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -64.8 | -43.1 | 174.4 | -89.9 | 170.8 | 0 | 0 | 0 | 112.8 | V795 K796 W801 L802 S803 F847 L851 L1011 | V795-L799 HydrophobicContact CG1-CD1 4.22Å; V795-L799 WeakPolarHBondContact O-CB 3.14Å; V795-L799 PolarHBondContact O-N 3.27Å; K796-L799 WeakPolarHBondContact O-CB 3.14Å; K796-L799 PolarHBondContact O-N 2.91Å; L799-W801 VanDerWaalsContact C-N 3.31Å; L799-W801 PolarHBondContact O-N 3.24Å; L799-L802 PolarHBondContact O-N 2.83Å; L799-S803 VanDerWaalsContact O-CB 3.31Å; L799-S803 WeakPolarHBondContact O-CB 3.43Å; L799-S803 PolarHBondContact O-N 3.42Å; L799-S803 PolarHBondContact O-OG 3Å; L799-F847 HydrophobicContact CD1-CE1 4.45Å; L799-F847 HydrophobicContact CD2-CE1 3.63Å; L799-F847 HydrophobicContact CD2-CZ 4.3Å; L799-F847 HydrophobicContact CG-CE1 3.84Å; L799-F847 HydrophobicContact CG-CZ 4.01Å; L799-L851 HydrophobicContact CD1-CD1 3.78Å; L799-L851 HydrophobicContact CD1-CD2 3.8Å; L799-L851 HydrophobicContact CD1-CG 4.45Å; L799-L851 HydrophobicContact CD2-CD2 3.87Å; L799-L851 HydrophobicContact CG-CD2 4.41Å; L799-L1011 HydrophobicContact CD1-CD2 3.49Å; L799-L1011 VanDerWaalsContact CD1-CD2 3.49Å |
| 800 | D | 90.3 | Very high | 82.3 | Confident | 6 Ų | 6 | 27 Ų | 27 | 3% | 0.032 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -55.6 | -50.5 | 172.2 | -78.1 | -15 | 0 | 0 | 0 | 109.6 | K796 L797 L802 S803 S804 M980 I983 H1014 | K796-D800 WeakPolarHBondContact CD-OD2 3.47Å; K796-D800 VanDerWaalsContact CE-OD2 3.27Å; K796-D800 WeakPolarHBondContact CE-OD2 3.29Å; K796-D800 IonicContact NZ-OD1 3.83Å; K796-D800 IonicContact NZ-OD2 3.58Å; K796-D800 PolarHBondContact NZ-OD2 3.03Å; K796-D800 PolarHBondContact O-N 3.16Å; L797-D800 WeakPolarHBondContact O-CB 3.45Å; L797-D800 PolarHBondContact O-N 3.22Å; D800-L802 PolarHBondContact O-N 2.66Å; D800-S803 PolarHBondContact O-N 3.05Å; D800-S803 VanDerWaalsContact O-N 3.09Å; D800-S804 PolarHBondContact O-N 3.17Å; D800-M980 HydrophobicContact CB-CE 3.84Å; D800-I983 HydrophobicContact CB-CD1 4.12Å; D800-I983 HydrophobicContact CB-CG2 4.41Å; D800-I983 WeakPolarHBondContact O-CD1 3.36Å; D800-H1014 IonicContact OD1-CE1 2.76Å; D800-H1014 PolarHBondContact OD1-CE1 3.35Å; D800-H1014 IonicContact OD1-NE2 2.72Å; D800-H1014 PolarHBondContact OD1-NE2 3.2Å |
| 801 | W | 90.9 | Very high | 80.7 | Confident | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -60.3 | -45.7 | 178.6 | 179.1 | 68.1 | 0 | 0 | 0 | 113.4 | I390 Y393 E394 L476 A479 L797 F798 L799 S803 S804 F807 M980 | I390-W801 HydrophobicContact CB-CZ2 4.4Å; I390-W801 HydrophobicContact CD1-CB 4.32Å; I390-W801 HydrophobicContact CD1-CD2 4.1Å; I390-W801 HydrophobicContact CD1-CE3 4.29Å; I390-W801 HydrophobicContact CD1-CG 4.15Å; I390-W801 HydrophobicContact CG1-CD2 3.9Å; I390-W801 HydrophobicContact CG1-CE3 4.06Å; I390-W801 HydrophobicContact CG1-CG 4.36Å; I390-W801 HydrophobicContact CG1-CH2 4.32Å; I390-W801 HydrophobicContact CG1-CZ2 4.16Å; I390-W801 HydrophobicContact CG1-CZ3 4.3Å; I390-W801 HydrophobicContact CG2-CD2 4.1Å; I390-W801 HydrophobicContact CG2-CG 4.06Å; I390-W801 HydrophobicContact CG2-CZ2 4.13Å; Y393-W801 HydrophobicContact CD1-CH2 4.33Å; Y393-W801 AromaticContact CD1-CZ2 3.57Å; Y393-W801 HydrophobicContact CD1-CZ2 3.57Å; Y393-W801 HydrophobicContact CE1-CZ2 4.02Å; Y393-W801 HydrophobicContact CG-CZ2 4.27Å; E394-W801 PolarHBondContact OE1-NE1 3.34Å; L476-W801 HydrophobicContact CD1-CH2 3.72Å; L476-W801 HydrophobicContact CD1-CZ3 4.43Å; A479-W801 HydrophobicContact CB-CH2 4.01Å; A479-W801 HydrophobicContact CB-CZ3 4.28Å; L797-W801 PolarHBondContact O-N 3.22Å; F798-W801 AromaticContact CD2-CE3 3.91Å; F798-W801 HydrophobicContact CD2-CE3 3.91Å; F798-W801 HydrophobicContact CD2-CZ3 4.24Å; F798-W801 AromaticContact CE2-CE3 3.75Å; F798-W801 HydrophobicContact CE2-CE3 3.75Å; F798-W801 AromaticContact CE2-CZ3 3.64Å; F798-W801 HydrophobicContact CE2-CZ3 3.64Å; F798-W801 HydrophobicContact CZ-CZ3 4.43Å; F798-W801 PolarHBondContact O-N 2.95Å; L799-W801 VanDerWaalsContact C-N 3.31Å; L799-W801 PolarHBondContact O-N 3.24Å; W801-S803 PolarHBondContact O-N 3.49Å; W801-S804 WeakPolarHBondContact O-CB 2.87Å; W801-S804 PolarHBondContact O-N 3.13Å; W801-S804 VanDerWaalsContact O-N 3.09Å; W801-S804 PolarHBondContact O-OG 3.31Å; W801-F807 AromaticContact CD2-CE2 3.82Å; W801-F807 HydrophobicContact CD2-CE2 3.82Å; W801-F807 HydrophobicContact CD2-CZ 4.03Å; W801-F807 AromaticContact CE2-CE2 3.64Å; W801-F807 AromaticContact CE2-CZ 3.51Å; W801-F807 HydrophobicContact CE3-CE2 4.18Å; W801-F807 HydrophobicContact CE3-CZ 4.24Å; W801-F807 HydrophobicContact CG-CE2 4.31Å; W801-F807 HydrophobicContact CH2-CE1 4.33Å; W801-F807 HydrophobicContact CH2-CE2 4.34Å; W801-F807 AromaticContact CH2-CZ 3.61Å; W801-F807 HydrophobicContact CH2-CZ 3.61Å; W801-F807 HydrophobicContact CZ2-CE1 4.36Å; W801-F807 AromaticContact CZ2-CE2 4Å; W801-F807 HydrophobicContact CZ2-CE2 4Å; W801-F807 AromaticContact CZ2-CZ 3.35Å; W801-F807 HydrophobicContact CZ2-CZ 3.35Å; W801-F807 HydrophobicContact CZ3-CE2 4.4Å; W801-F807 HydrophobicContact CZ3-CZ 4.02Å; W801-F807 AromaticContact NE1-CE2 3.86Å; W801-F807 AromaticContact NE1-CZ 4Å; W801-F807 WeakPolarHBondContact O-CD2 3.04Å; W801-F807 VanDerWaalsContact O-CE2 3.23Å; W801-F807 WeakPolarHBondContact O-CE2 3.43Å; W801-M980 VanDerWaalsContact CA-SD 3.56Å; W801-M980 HydrophobicContact CB-SD 4.16Å |
| 802 | L | 87 | Confident | 78.8 | Confident | 32 Ų | 32 | 30.2 Ų | 30.2 | 17% | 0.168 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -62.5 | -28.8 | 175.1 | -77 | -179.2 | 0 | 0 | 0 | 113.2 | L480 F798 L799 D800 S804 | L480-L802 HydrophobicContact CD2-CD2 3.85Å; F798-L802 HydrophobicContact CD1-CD1 3.81Å; F798-L802 HydrophobicContact CD1-CG 4.32Å; F798-L802 HydrophobicContact CE1-CD1 3.3Å; F798-L802 HydrophobicContact CE1-CG 3.95Å; F798-L802 HydrophobicContact CE2-CG 4.41Å; F798-L802 HydrophobicContact CZ-CD1 3.74Å; F798-L802 HydrophobicContact CZ-CD2 4.24Å; F798-L802 HydrophobicContact CZ-CG 3.99Å; F798-L802 WeakPolarHBondContact O-CG 3.07Å; F798-L802 PolarHBondContact O-N 3.02Å; L799-L802 PolarHBondContact O-N 2.83Å; D800-L802 PolarHBondContact O-N 2.66Å; L802-S804 PolarHBondContact O-N 2.99Å |
| 803 | S | 84 | Confident | 76.5 | Confident | 58 Ų | 58 | 32.6 Ų | 32.6 | 41% | 0.406 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.7 | -2.8 | 178.1 | -56 | 0 | 0 | 0 | 0 | 113 | L799 D800 W801 | L799-S803 VanDerWaalsContact O-CB 3.31Å; L799-S803 WeakPolarHBondContact O-CB 3.43Å; L799-S803 PolarHBondContact O-N 3.42Å; L799-S803 PolarHBondContact O-OG 3Å; D800-S803 PolarHBondContact O-N 3.05Å; D800-S803 VanDerWaalsContact O-N 3.09Å; W801-S803 PolarHBondContact O-N 3.49Å |
| 804 | S | 82.6 | Confident | 74.1 | Confident | 3 Ų | 3 | 34.3 Ų | 34.3 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | S | Bend | trans | -66.8 | 150.8 | 176.2 | 70.1 | 0 | 0 | 0 | 0 | 112.3 | D800 W801 L802 Q806 F807 S979 | D800-S804 PolarHBondContact O-N 3.17Å; W801-S804 WeakPolarHBondContact O-CB 2.87Å; W801-S804 PolarHBondContact O-N 3.13Å; W801-S804 VanDerWaalsContact O-N 3.09Å; W801-S804 PolarHBondContact O-OG 3.31Å; L802-S804 PolarHBondContact O-N 2.99Å; S804-Q806 PolarHBondContact O-N 3.45Å; S804-F807 PolarHBondContact O-N 2.8Å; S804-F807 VanDerWaalsContact O-N 3.15Å; S804-F807 WeakPolarHBondContact OG-CD2 3.49Å; S804-F807 WeakPolarHBondContact OG-CE2 3.32Å; S804-S979 VanDerWaalsContact CB-O 3.23Å; S804-S979 WeakPolarHBondContact CB-O 3.44Å |
| 805 | S | 68.7 | Low | 71.7 | Confident | 68 Ų | 68 | 36.9 Ų | 36.9 | 48% | 0.476 | 20% | 0.202 | S | C | . | . | G | 310 helix | trans | -56.8 | -23.3 | 178.9 | 59.5 | 0 | 0 | 0 | 0 | 113.8 | F807 Q808 | S805-F807 PolarHBondContact O-N 3.29Å; S805-F807 VanDerWaalsContact O-N 3.14Å; S805-Q808 WeakPolarHBondContact O-CB 3.44Å; S805-Q808 WeakPolarHBondContact O-CG 3.33Å; S805-Q808 PolarHBondContact O-N 3.42Å; S805-Q808 VanDerWaalsContact O-N 3.17Å |
| 806 | Q | 70.5 | Confident | 69.2 | Low | 23 Ų | 23 | 42.2 Ų | 42.2 | 11% | 0.107 | 23% | 0.227 | C | C | . | . | G | 310 helix | trans | -58.9 | -27 | 179.2 | -168.9 | 177.4 | 17.5 | 0 | 0 | 112.6 | E394 H397 S804 H809 S979 | E394-Q806 VanDerWaalsContact CD-OE1 3.29Å; E394-Q806 PolarHBondContact OE1-OE1 3.42Å; E394-Q806 PolarHBondContact OE2-NE2 3.32Å; E394-Q806 PolarHBondContact OE2-OE1 3.47Å; E394-Q806 VanDerWaalsContact OE2-OE1 3.05Å; H397-Q806 PolarHBondContact CE1-NE2 3.1Å; H397-Q806 PolarHBondContact ND1-NE2 3.09Å; H397-Q806 VanDerWaalsContact ND1-NE2 3.13Å; S804-Q806 PolarHBondContact O-N 3.45Å; Q806-H809 PolarHBondContact O-CE1 3.31Å; Q806-H809 PolarHBondContact O-ND1 3.47Å; Q806-S979 VanDerWaalsContact OE1-CB 3.27Å |
| 807 | F | 71.4 | Confident | 66.5 | Low | 14 Ų | 14 | 48.3 Ų | 48.3 | 6% | 0.061 | 26% | 0.26 | C | S | . | . | G | 310 helix | trans | -94.2 | 3.4 | -177.8 | -63.3 | -66.6 | 0 | 0 | 0 | 114.8 | Y393 L476 W801 S804 S805 H809 L810 | Y393-F807 HydrophobicContact CD1-CZ 4.5Å; Y393-F807 AromaticContact CE1-CE1 3.94Å; Y393-F807 HydrophobicContact CE1-CE1 3.94Å; Y393-F807 AromaticContact CE1-CZ 3.78Å; Y393-F807 HydrophobicContact CE1-CZ 3.78Å; L476-F807 HydrophobicContact CD1-CE1 3.78Å; L476-F807 HydrophobicContact CD1-CZ 4.33Å; W801-F807 AromaticContact CD2-CE2 3.82Å; W801-F807 HydrophobicContact CD2-CE2 3.82Å; W801-F807 HydrophobicContact CD2-CZ 4.03Å; W801-F807 AromaticContact CE2-CE2 3.64Å; W801-F807 AromaticContact CE2-CZ 3.51Å; W801-F807 HydrophobicContact CE3-CE2 4.18Å; W801-F807 HydrophobicContact CE3-CZ 4.24Å; W801-F807 HydrophobicContact CG-CE2 4.31Å; W801-F807 HydrophobicContact CH2-CE1 4.33Å; W801-F807 HydrophobicContact CH2-CE2 4.34Å; W801-F807 AromaticContact CH2-CZ 3.61Å; W801-F807 HydrophobicContact CH2-CZ 3.61Å; W801-F807 HydrophobicContact CZ2-CE1 4.36Å; W801-F807 AromaticContact CZ2-CE2 4Å; W801-F807 HydrophobicContact CZ2-CE2 4Å; W801-F807 AromaticContact CZ2-CZ 3.35Å; W801-F807 HydrophobicContact CZ2-CZ 3.35Å; W801-F807 HydrophobicContact CZ3-CE2 4.4Å; W801-F807 HydrophobicContact CZ3-CZ 4.02Å; W801-F807 AromaticContact NE1-CE2 3.86Å; W801-F807 AromaticContact NE1-CZ 4Å; W801-F807 WeakPolarHBondContact O-CD2 3.04Å; W801-F807 VanDerWaalsContact O-CE2 3.23Å; W801-F807 WeakPolarHBondContact O-CE2 3.43Å; S804-F807 PolarHBondContact O-N 2.8Å; S804-F807 VanDerWaalsContact O-N 3.15Å; S804-F807 WeakPolarHBondContact OG-CD2 3.49Å; S804-F807 WeakPolarHBondContact OG-CE2 3.32Å; S805-F807 PolarHBondContact O-N 3.29Å; S805-F807 VanDerWaalsContact O-N 3.14Å; F807-H809 PolarHBondContact O-N 3.41Å; F807-L810 HydrophobicContact CB-CD1 4.12Å; F807-L810 HydrophobicContact CD1-CD1 3.54Å; F807-L810 HydrophobicContact CD1-CG 4.16Å; F807-L810 HydrophobicContact CE1-CD1 4.44Å; F807-L810 HydrophobicContact CG-CD1 4.2Å; F807-L810 WeakPolarHBondContact O-CB 3.41Å; F807-L810 PolarHBondContact O-N 3.49Å |
| 808 | Q | 64.6 | Low | 64 | Low | 158 Ų | 158 | 53.7 Ų | 53.7 | 74% | 0.738 | 29% | 0.287 | S | S | * | . | G | 310 helix | trans | -58 | -31.6 | 176.1 | -71.2 | 180 | -6.1 | 0 | 0 | 112.6 | S805 L810 N811 | S805-Q808 WeakPolarHBondContact O-CB 3.44Å; S805-Q808 WeakPolarHBondContact O-CG 3.33Å; S805-Q808 PolarHBondContact O-N 3.42Å; S805-Q808 VanDerWaalsContact O-N 3.17Å; Q808-L810 VanDerWaalsContact C-N 3.33Å; Q808-L810 PolarHBondContact O-N 3.14Å; Q808-N811 PolarHBondContact O-N 3.39Å |
| 809 | H | 52.4 | Low | 61.2 | Low | 115 Ų | 115 | 60.7 Ų | 60.7 | 53% | 0.532 | 33% | 0.325 | S | S | . | . | G | 310 helix | trans | -76.1 | -14.3 | 178.6 | 75.3 | -86.3 | 0 | 0 | 0 | 114.3 | Q806 F807 N811 | Q806-H809 PolarHBondContact O-CE1 3.31Å; Q806-H809 PolarHBondContact O-ND1 3.47Å; F807-H809 PolarHBondContact O-N 3.41Å; H809-N811 PolarHBondContact O-N 3.44Å |
| 810 | L | 58 | Low | 58.3 | Low | 16 Ų | 16 | 64.1 Ų | 64.1 | 8% | 0.084 | 35% | 0.349 | C | S | . | . | G | 310 helix | trans | -60 | -9.8 | 170.5 | -76.4 | 178.1 | 0 | 0 | 0 | 111.4 | L476 F807 Q808 L812 W840 | L476-L810 HydrophobicContact CD2-CD2 4.49Å; F807-L810 HydrophobicContact CB-CD1 4.12Å; F807-L810 HydrophobicContact CD1-CD1 3.54Å; F807-L810 HydrophobicContact CD1-CG 4.16Å; F807-L810 HydrophobicContact CE1-CD1 4.44Å; F807-L810 HydrophobicContact CG-CD1 4.2Å; F807-L810 WeakPolarHBondContact O-CB 3.41Å; F807-L810 PolarHBondContact O-N 3.49Å; Q808-L810 VanDerWaalsContact C-N 3.33Å; Q808-L810 PolarHBondContact O-N 3.14Å; L810-L812 HydrophobicContact CB-CD1 4.37Å; L810-L812 PolarHBondContact O-N 3.36Å; L810-W840 HydrophobicContact CD2-CD2 4.47Å; L810-W840 HydrophobicContact CD2-CE3 3.58Å; L810-W840 HydrophobicContact CD2-CZ3 4.14Å |
| 811 | N | 47.5 | Very low | 55.6 | Low | 75 Ų | 75 | 69.5 Ų | 69.5 | 40% | 0.401 | 38% | 0.382 | S | S | . | . | trans | 33.3 | 57.7 | 166.1 | -161.4 | 0.5 | 0 | 0 | 0 | 111.6 | Q808 H809 S813 S814 | Q808-N811 PolarHBondContact O-N 3.39Å; H809-N811 PolarHBondContact O-N 3.44Å; N811-S813 PolarHBondContact O-N 3.37Å; N811-S813 PolarHBondContact OD1-OG 2.91Å; N811-S814 WeakPolarHBondContact O-CB 3.45Å; N811-S814 PolarHBondContact O-N 3.27Å; N811-S814 PolarHBondContact O-OG 3.35Å | ||
| 812 | L | 50.7 | Low | 52.8 | Low | 21 Ų | 21 | 78 Ų | 78 | 11% | 0.11 | 43% | 0.427 | C | S | . | . | G | 310 helix | trans | -54.6 | -22.8 | 179.2 | -64.1 | 96.5 | 0 | 0 | 0 | 110.7 | L810 V844 L1025 L1027 | L810-L812 HydrophobicContact CB-CD1 4.37Å; L810-L812 PolarHBondContact O-N 3.36Å; L812-V844 HydrophobicContact CD2-CG1 3.98Å; L812-L1025 WeakPolarHBondContact CB-O 3.47Å; L812-L1025 HydrophobicContact CD1-CD2 3.9Å; L812-L1027 HydrophobicContact CD2-CD2 4.27Å |
| 813 | S | 43.6 | Very low | 50.3 | Low | 53 Ų | 53 | 82.1 Ų | 82.1 | 37% | 0.371 | 45% | 0.454 | S | S | . | . | G | 310 helix | trans | -68.3 | -27.5 | 176 | 86.6 | 0 | 0 | 0 | 0 | 115.2 | N811 F815 Q816 Q1024 | N811-S813 PolarHBondContact O-N 3.37Å; N811-S813 PolarHBondContact OD1-OG 2.91Å; S813-F815 PolarHBondContact O-N 3.06Å; S813-Q816 PolarHBondContact O-N 3.43Å; S813-Q1024 VanDerWaalsContact CB-O 3.29Å; S813-Q1024 WeakPolarHBondContact CB-O 3.44Å |
| 814 | S | 39.9 | Very low | 48.2 | Very low | 54 Ų | 54 | 86.5 Ų | 86.5 | 38% | 0.378 | 47% | 0.472 | S | S | . | . | G | 310 helix | trans | -67.2 | -5.9 | -168.8 | 59.6 | 0 | 0 | 0 | 0 | 115.4 | N811 | N811-S814 WeakPolarHBondContact O-CB 3.45Å; N811-S814 PolarHBondContact O-N 3.27Å; N811-S814 PolarHBondContact O-OG 3.35Å |
| 815 | F | 39.2 | Very low | 46 | Very low | 55 Ų | 55 | 94.5 Ų | 94.5 | 24% | 0.241 | 52% | 0.515 | C | S | . | . | G | 310 helix | trans | -88.2 | -9.8 | 179.9 | -80.6 | -84.1 | 0 | 0 | 0 | 115.7 | S813 N817 P833 I838 | S813-F815 PolarHBondContact O-N 3.06Å; F815-N817 PolarHBondContact O-N 3.45Å; F815-P833 HydrophobicContact CD1-CG 3.9Å; F815-P833 HydrophobicContact CE1-CB 3.81Å; F815-P833 HydrophobicContact CE1-CG 3.12Å; F815-P833 HydrophobicContact CE2-CB 3.88Å; F815-P833 HydrophobicContact CE2-CG 4.05Å; F815-P833 HydrophobicContact CZ-CB 3.3Å; F815-P833 HydrophobicContact CZ-CG 3.22Å; F815-I838 HydrophobicContact CE1-CD1 4.31Å; F815-I838 HydrophobicContact CE1-CG1 3.58Å; F815-I838 HydrophobicContact CZ-CB 4.28Å; F815-I838 HydrophobicContact CZ-CG1 3.42Å; F815-I838 VanDerWaalsContact CZ-CG1 3.42Å |
| 816 | Q | 41 | Very low | 44.6 | Very low | 115 Ų | 115 | 96.6 Ų | 96.6 | 54% | 0.537 | 53% | 0.525 | S | S | . | . | G | 310 helix | trans | -65.7 | -19.6 | 178.7 | -75.5 | -168.8 | -11.1 | 0 | 0 | 113.7 | S813 I818 | S813-Q816 PolarHBondContact O-N 3.43Å; Q816-I818 VanDerWaalsContact C-N 3.35Å; Q816-I818 PolarHBondContact O-N 2.84Å |
| 817 | N | 36.9 | Very low | 43.1 | Very low | 133 Ų | 133 | 103.1 Ų | 103.1 | 71% | 0.711 | 56% | 0.559 | S | S | * | * | G | 310 helix | trans | -85 | 10.1 | -173.5 | -79.4 | -8.5 | 0 | 0 | 0 | 116.2 | F815 | F815-N817 PolarHBondContact O-N 3.45Š|
| 818 | I | 39.5 | Very low | 41.5 | Very low | 119 Ų | 119 | 110.3 Ų | 110.3 | 61% | 0.61 | 59% | 0.593 | S | S | * | * | G | 310 helix | trans | -91.2 | -18.2 | 176.5 | -59 | 179.4 | 0 | 0 | 0 | 112.6 | Q816 | Q816-I818 VanDerWaalsContact C-N 3.35Å; Q816-I818 PolarHBondContact O-N 2.84Å |
| 819 | N | 35.3 | Very low | 40.1 | Very low | 150 Ų | 150 | 112 Ų | 112 | 80% | 0.802 | 60% | 0.598 | S | S | * | * | S | Bend | trans | -113.7 | 3.9 | -177.1 | -75.5 | -13.4 | 0 | 0 | 0 | 115.9 | T821 | N819-T821 PolarHBondContact O-N 3.26Å; N819-T821 VanDerWaalsContact O-N 3.11Å |
| 820 | S | 31 | Very low | 39.7 | Very low | 79 Ų | 79 | 111.5 Ų | 111.5 | 55% | 0.552 | 61% | 0.607 | S | S | * | * | S | Bend | trans | -81.3 | 92.7 | 168.3 | 61.3 | 0 | 0 | 0 | 0 | 109.9 | ||
| 821 | T | 32.2 | Very low | 39.3 | Very low | 118 Ų | 118 | 119.6 Ų | 119.6 | 72% | 0.724 | 64% | 0.644 | S | S | * | * | trans | 4.8 | 126.7 | 151.4 | 48.5 | 0 | 0 | 0 | 0 | 117.1 | N819 T823 | N819-T821 PolarHBondContact O-N 3.26Å; N819-T821 VanDerWaalsContact O-N 3.11Å; T821-T823 PolarHBondContact O-N 3.15Å | ||
| 822 | L | 32.9 | Very low | 39.7 | Very low | 178 Ų | 178 | 125.1 Ų | 125.1 | 93% | 0.932 | 67% | 0.665 | S | S | * | * | trans | -33.9 | 101.5 | 162.8 | -90.8 | 85 | 0 | 0 | 0 | 111.9 | ||||
| 823 | T | 35.5 | Very low | 40.2 | Very low | 119 Ų | 119 | 125.9 Ų | 125.9 | 73% | 0.73 | 67% | 0.671 | S | S | * | * | trans | -149.3 | 125.5 | 148.4 | 45.2 | 0 | 0 | 0 | 0 | 108.6 | T821 | T821-T823 PolarHBondContact O-N 3.15Š| ||
| 824 | D | 38.2 | Very low | 41.4 | Very low | 150 Ų | 150 | 125.2 Ų | 125.2 | 80% | 0.802 | 67% | 0.666 | S | S | * | * | trans | 81.5 | 111.9 | 165.3 | -60.5 | -23.3 | 0 | 0 | 0 | 119.9 | T826 | D824-T826 PolarHBondContact O-N 3.41Š| ||
| 825 | N | 37.2 | Very low | 43.1 | Very low | 172 Ų | 172 | 128 Ų | 128 | 92% | 0.92 | 67% | 0.669 | S | S | * | * | trans | -60.4 | 88.8 | 171.8 | -71 | -42.1 | 0 | 0 | 0 | 110.8 | ||||
| 826 | T | 38.5 | Very low | 44.9 | Very low | 112 Ų | 112 | 125.5 Ų | 125.5 | 69% | 0.687 | 66% | 0.658 | S | S | * | * | trans | -135.4 | 108.2 | 158.7 | -10.2 | 0 | 0 | 0 | 0 | 108.1 | D824 H828 | D824-T826 PolarHBondContact O-N 3.41Å; T826-H828 PolarHBondContact O-N 3Å | ||
| 827 | I | 38.7 | Very low | 46.6 | Very low | 160 Ų | 160 | 120.9 Ų | 120.9 | 82% | 0.821 | 64% | 0.638 | S | S | * | * | trans | -69.7 | 74.3 | -177.5 | -55.4 | 168.3 | 0 | 0 | 0 | 108.6 | ||||
| 828 | H | 37.8 | Very low | 48.7 | Very low | 165 Ų | 165 | 117.2 Ų | 117.2 | 76% | 0.764 | 62% | 0.618 | S | S | * | * | trans | -86.8 | 110.8 | 151.6 | -79.7 | -72.6 | 0 | 0 | 0 | 106.1 | T826 S830 | T826-H828 PolarHBondContact O-N 3Å; H828-S830 PolarHBondContact O-N 3.31Å | ||
| 829 | K | 36.2 | Very low | 50.7 | Low | 194 Ų | 194 | 114 Ų | 114 | 84% | 0.843 | 60% | 0.602 | S | S | * | * | trans | -59.8 | 86.4 | 170.3 | -72.2 | 178.2 | 176.9 | 177.3 | 0 | 108.2 | Q831 | K829-Q831 PolarHBondContact O-N 3.01Å; K829-Q831 VanDerWaalsContact O-N 3.12Å | ||
| 830 | S | 44.1 | Very low | 53 | Low | 103 Ų | 103 | 108.2 Ų | 108.2 | 72% | 0.72 | 57% | 0.568 | S | S | * | * | trans | -63.1 | 111.8 | 166.5 | 51.6 | 0 | 0 | 0 | 0 | 106.7 | H828 K832 | H828-S830 PolarHBondContact O-N 3.31Å; S830-K832 PolarHBondContact O-N 2.8Å; S830-K832 VanDerWaalsContact O-N 3.07Å | ||
| 831 | Q | 50.1 | Low | 55.3 | Low | 186 Ų | 186 | 105.2 Ų | 105.2 | 87% | 0.869 | 55% | 0.546 | S | S | * | . | trans | -60.1 | 115.3 | 172.8 | -83.7 | 175.8 | -29.7 | 0 | 0 | 107.3 | K829 | K829-Q831 PolarHBondContact O-N 3.01Å; K829-Q831 VanDerWaalsContact O-N 3.12Å | ||
| 832 | K | 54.5 | Low | 57.8 | Low | 191 Ų | 191 | 100 Ų | 100 | 83% | 0.83 | 52% | 0.515 | S | S | * | . | P | Polyproline II helix | trans | -57.7 | 132.1 | 171.2 | -75 | -176.9 | 178.2 | -179.8 | 0 | 108 | S830 | S830-K832 PolarHBondContact O-N 2.8Å; S830-K832 VanDerWaalsContact O-N 3.07Å |
| 833 | P | 62.8 | Low | 60.3 | Low | 38 Ų | 38 | 92.2 Ų | 92.2 | 25% | 0.247 | 48% | 0.475 | C | S | . | . | P | Polyproline II helix | trans | -61 | 146.1 | 179.3 | 22.5 | -30.6 | 0 | 0 | 0 | 110.5 | F815 | F815-P833 HydrophobicContact CD1-CG 3.9Å; F815-P833 HydrophobicContact CE1-CB 3.81Å; F815-P833 HydrophobicContact CE1-CG 3.12Å; F815-P833 HydrophobicContact CE2-CB 3.88Å; F815-P833 HydrophobicContact CE2-CG 4.05Å; F815-P833 HydrophobicContact CZ-CB 3.3Å; F815-P833 HydrophobicContact CZ-CG 3.22Å |
| 834 | S | 68.7 | Low | 62.7 | Low | 39 Ų | 39 | 87.4 Ų | 87.4 | 27% | 0.273 | 45% | 0.446 | S | S | . | . | P | Polyproline II helix | trans | -64.9 | 149.8 | 180 | 69.9 | 0 | 0 | 0 | 0 | 110.7 | A836 S837 I838 | S834-A836 PolarHBondContact O-N 3.39Å; S834-S837 WeakPolarHBondContact O-CB 3.49Å; S834-S837 PolarHBondContact O-N 2.98Å; S834-S837 WeakPolarHBondContact OG-CB 3.46Å; S834-S837 PolarHBondContact OG-N 2.76Å; S834-I838 PolarHBondContact O-N 3.05Å |
| 835 | R | 75.6 | Confident | 65 | Low | 113 Ų | 113 | 81.2 Ų | 81.2 | 43% | 0.426 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -55.4 | -35.6 | 175.9 | -176.4 | 176.9 | 175.3 | 178.5 | 2.6 | 112 | L472 I838 I839 S1054 | L472-R835 HydrophobicContact CD1-CG 4.36Å; R835-I838 PolarHBondContact O-N 3.37Å; R835-I839 HydrophobicContact CG-CD1 4.42Å; R835-I839 WeakPolarHBondContact O-CG1 3.45Å; R835-I839 PolarHBondContact O-N 3.46Å; R835-S1054 PolarHBondContact NH2-O 3Å |
| 836 | A | 76.6 | Confident | 67.4 | Low | 1 Ų | 1 | 77.7 Ų | 77.7 | 1% | 0.008 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -64.2 | -44.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | S834 I838 I839 W840 | S834-A836 PolarHBondContact O-N 3.39Å; A836-I838 VanDerWaalsContact C-N 3.31Å; A836-I838 PolarHBondContact O-N 3.35Å; A836-I839 PolarHBondContact O-N 3.03Å; A836-W840 HydrophobicContact CB-CH2 4.21Å; A836-W840 HydrophobicContact CB-CZ2 3.99Å; A836-W840 VanDerWaalsContact O-CG 3.3Å; A836-W840 PolarHBondContact O-N 3.31Å |
| 837 | S | 77.2 | Confident | 69.9 | Low | 19 Ų | 19 | 72.5 Ų | 72.5 | 13% | 0.133 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -59.3 | -39.9 | 176.9 | 171.3 | 0 | 0 | 0 | 0 | 112.2 | S834 I839 W840 Q841 | S834-S837 WeakPolarHBondContact O-CB 3.49Å; S834-S837 PolarHBondContact O-N 2.98Å; S834-S837 WeakPolarHBondContact OG-CB 3.46Å; S834-S837 PolarHBondContact OG-N 2.76Å; S837-I839 VanDerWaalsContact C-N 3.28Å; S837-I839 PolarHBondContact O-N 3.38Å; S837-W840 PolarHBondContact O-N 2.96Å; S837-Q841 VanDerWaalsContact O-CB 3.3Å; S837-Q841 WeakPolarHBondContact O-CB 3.44Å; S837-Q841 PolarHBondContact O-N 3.12Å |
| 838 | I | 79.3 | Confident | 72.3 | Confident | 55 Ų | 55 | 65.1 Ų | 65.1 | 28% | 0.282 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -59.7 | -40.6 | 174.7 | -60.1 | 169.7 | 0 | 0 | 0 | 111.3 | F815 S834 R835 A836 Q841 A842 L1053 | F815-I838 HydrophobicContact CE1-CD1 4.31Å; F815-I838 HydrophobicContact CE1-CG1 3.58Å; F815-I838 HydrophobicContact CZ-CB 4.28Å; F815-I838 HydrophobicContact CZ-CG1 3.42Å; F815-I838 VanDerWaalsContact CZ-CG1 3.42Å; S834-I838 PolarHBondContact O-N 3.05Å; R835-I838 PolarHBondContact O-N 3.37Å; A836-I838 VanDerWaalsContact C-N 3.31Å; A836-I838 PolarHBondContact O-N 3.35Å; I838-Q841 WeakPolarHBondContact O-CB 3.3Å; I838-A842 WeakPolarHBondContact O-CB 3.46Å; I838-A842 PolarHBondContact O-N 3.36Å; I838-L1053 HydrophobicContact CG2-CD1 3.87Å |
| 839 | I | 81.7 | Confident | 74.7 | Confident | 53 Ų | 53 | 58.7 Ų | 58.7 | 27% | 0.272 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -74.6 | -41.8 | -177.5 | -67.5 | 170.6 | 0 | 0 | 0 | 110.8 | L472 R835 A836 S837 Q841 A842 S843 | L472-I839 HydrophobicContact CD2-CD1 3.11Å; L472-I839 HydrophobicContact CG-CD1 3.76Å; R835-I839 HydrophobicContact CG-CD1 4.42Å; R835-I839 WeakPolarHBondContact O-CG1 3.45Å; R835-I839 PolarHBondContact O-N 3.46Å; A836-I839 PolarHBondContact O-N 3.03Å; S837-I839 VanDerWaalsContact C-N 3.28Å; S837-I839 PolarHBondContact O-N 3.38Å; I839-Q841 VanDerWaalsContact C-N 3.31Å; I839-Q841 PolarHBondContact O-N 3.46Å; I839-A842 PolarHBondContact O-N 3.08Å; I839-S843 PolarHBondContact O-N 3.48Å; I839-S843 PolarHBondContact O-OG 3.35Å |
| 840 | W | 84.1 | Confident | 77.2 | Confident | 27 Ų | 27 | 51.5 Ų | 51.5 | 10% | 0.102 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60 | -43.9 | 174.1 | -61.7 | -24.4 | 0 | 0 | 0 | 111.3 | L476 S477 L480 L810 A836 S837 A842 S843 V844 | L476-W840 HydrophobicContact CB-CZ2 4.4Å; L476-W840 HydrophobicContact CD2-CD2 3.98Å; L476-W840 HydrophobicContact CD2-CE3 4.03Å; L476-W840 HydrophobicContact CD2-CH2 4.1Å; L476-W840 HydrophobicContact CD2-CZ2 4.05Å; L476-W840 HydrophobicContact CD2-CZ3 4.09Å; S477-W840 PolarHBondContact OG-NE1 2.87Å; L480-W840 HydrophobicContact CD1-CB 3.77Å; L480-W840 HydrophobicContact CD1-CG 3.8Å; L810-W840 HydrophobicContact CD2-CD2 4.47Å; L810-W840 HydrophobicContact CD2-CE3 3.58Å; L810-W840 HydrophobicContact CD2-CZ3 4.14Å; A836-W840 HydrophobicContact CB-CH2 4.21Å; A836-W840 HydrophobicContact CB-CZ2 3.99Å; A836-W840 VanDerWaalsContact O-CG 3.3Å; A836-W840 PolarHBondContact O-N 3.31Å; S837-W840 PolarHBondContact O-N 2.96Å; W840-A842 PolarHBondContact O-N 3.13Å; W840-S843 PolarHBondContact O-N 2.9Å; W840-V844 WeakPolarHBondContact O-CG2 3.34Å; W840-V844 PolarHBondContact O-N 3.23Å |
| 841 | Q | 80.2 | Confident | 79.5 | Confident | 17 Ų | 17 | 46.6 Ų | 46.6 | 8% | 0.079 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -55.1 | -51.1 | 172.9 | -179.4 | 67.2 | 20.1 | 0 | 0 | 111.2 | S837 I838 I839 S843 V844 E845 | S837-Q841 VanDerWaalsContact O-CB 3.3Å; S837-Q841 WeakPolarHBondContact O-CB 3.44Å; S837-Q841 PolarHBondContact O-N 3.12Å; I838-Q841 WeakPolarHBondContact O-CB 3.3Å; I839-Q841 VanDerWaalsContact C-N 3.31Å; I839-Q841 PolarHBondContact O-N 3.46Å; Q841-S843 VanDerWaalsContact C-N 3.33Å; Q841-S843 PolarHBondContact O-N 2.84Å; Q841-V844 PolarHBondContact O-N 3.29Å; Q841-E845 WeakPolarHBondContact CG-OE1 3.42Å; Q841-E845 PolarHBondContact NE2-OE1 3.25Å; Q841-E845 VanDerWaalsContact NE2-OE1 3.07Å; Q841-E845 WeakPolarHBondContact O-CG 3.38Å; Q841-E845 PolarHBondContact O-N 3.38Å |
| 842 | A | 83.7 | Confident | 81.4 | Confident | 8 Ų | 8 | 38.1 Ų | 38.1 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.2 | -38.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | I838 I839 W840 E845 R846 V1050 | I838-A842 WeakPolarHBondContact O-CB 3.46Å; I838-A842 PolarHBondContact O-N 3.36Å; I839-A842 PolarHBondContact O-N 3.08Å; W840-A842 PolarHBondContact O-N 3.13Å; A842-E845 PolarHBondContact O-N 3.41Å; A842-R846 VanDerWaalsContact O-CG 3.31Å; A842-R846 WeakPolarHBondContact O-CG 3.25Å; A842-R846 PolarHBondContact O-N 3.42Å; A842-V1050 HydrophobicContact CB-CG2 4.23Å |
| 843 | S | 86.1 | Confident | 82.9 | Confident | 14 Ų | 14 | 30.9 Ų | 30.9 | 10% | 0.098 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.4 | -42.8 | 174 | -75.3 | 0 | 0 | 0 | 0 | 112 | I839 W840 Q841 R846 F847 | I839-S843 PolarHBondContact O-N 3.48Å; I839-S843 PolarHBondContact O-OG 3.35Å; W840-S843 PolarHBondContact O-N 2.9Å; Q841-S843 VanDerWaalsContact C-N 3.33Å; Q841-S843 PolarHBondContact O-N 2.84Å; S843-R846 PolarHBondContact O-N 3.02Å; S843-F847 WeakPolarHBondContact O-CB 3.49Å; S843-F847 PolarHBondContact O-N 2.66Å |
| 844 | V | 85.7 | Confident | 84.3 | Confident | 19 Ų | 19 | 29.1 Ų | 29.1 | 12% | 0.115 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -65.3 | -42.5 | 176.1 | 174.4 | 0 | 0 | 0 | 0 | 111.1 | L480 L812 W840 Q841 R846 F847 V848 L1027 | L480-V844 HydrophobicContact CD2-CG2 4.06Å; L812-V844 HydrophobicContact CD2-CG1 3.98Å; W840-V844 WeakPolarHBondContact O-CG2 3.34Å; W840-V844 PolarHBondContact O-N 3.23Å; Q841-V844 PolarHBondContact O-N 3.29Å; V844-R846 VanDerWaalsContact C-N 3.33Å; V844-R846 PolarHBondContact O-N 2.83Å; V844-F847 WeakPolarHBondContact O-CB 3.3Å; V844-F847 PolarHBondContact O-N 3.31Å; V844-V848 HydrophobicContact CG1-CG2 4.26Å; V844-V848 WeakPolarHBondContact O-CG2 3.38Å; V844-V848 PolarHBondContact O-N 3.04Å; V844-L1027 HydrophobicContact CG1-CD2 4.45Å |
| 845 | E | 85.4 | Confident | 85.3 | Confident | 20 Ų | 20 | 27.2 Ų | 27.2 | 9% | 0.093 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -58.3 | -43.5 | 175.2 | -76.6 | 173.4 | -169.2 | 0 | 0 | 111.9 | Q841 A842 V848 S849 L1027 I1045 T1048 | Q841-E845 WeakPolarHBondContact CG-OE1 3.42Å; Q841-E845 PolarHBondContact NE2-OE1 3.25Å; Q841-E845 VanDerWaalsContact NE2-OE1 3.07Å; Q841-E845 WeakPolarHBondContact O-CG 3.38Å; Q841-E845 PolarHBondContact O-N 3.38Å; A842-E845 PolarHBondContact O-N 3.41Å; E845-V848 PolarHBondContact O-N 3.29Å; E845-S849 VanDerWaalsContact O-CB 3.26Å; E845-S849 WeakPolarHBondContact O-CB 3.42Å; E845-S849 PolarHBondContact O-N 3.33Å; E845-L1027 HydrophobicContact CG-CD2 4.36Å; E845-I1045 HydrophobicContact CB-CD1 4.38Å; E845-I1045 HydrophobicContact CB-CG2 4.27Å; E845-I1045 HydrophobicContact CG-CD1 4.4Å; E845-I1045 HydrophobicContact CG-CG2 4.27Å; E845-T1048 PolarHBondContact OE2-OG1 3.08Å |
| 846 | R | 87.8 | Confident | 85.9 | Confident | 97 Ų | 97 | 23 Ų | 23 | 37% | 0.366 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -66.6 | -40.3 | 175.7 | -73.1 | 175.2 | -173.2 | 168.6 | 3.1 | 112.4 | E484 A842 S843 V844 S849 Q850 L1047 | E484-R846 HydrophobicContact CG-CB 4.49Å; E484-R846 WeakPolarHBondContact OE1-CB 3.46Å; E484-R846 VanDerWaalsContact OE1-CD 3.29Å; E484-R846 WeakPolarHBondContact OE1-CD 3.49Å; A842-R846 VanDerWaalsContact O-CG 3.31Å; A842-R846 WeakPolarHBondContact O-CG 3.25Å; A842-R846 PolarHBondContact O-N 3.42Å; S843-R846 PolarHBondContact O-N 3.02Å; V844-R846 VanDerWaalsContact C-N 3.33Å; V844-R846 PolarHBondContact O-N 2.83Å; R846-S849 PolarHBondContact O-N 2.95Å; R846-Q850 WeakPolarHBondContact O-CG 3.24Å; R846-Q850 PolarHBondContact O-N 3.1Å; R846-Q850 VanDerWaalsContact O-N 3.16Å; R846-Q850 PolarHBondContact O-NE2 3.31Å; R846-L1047 HydrophobicContact CG-CD2 4.32Å |
| 847 | F | 91.2 | Very high | 86.3 | Confident | 4 Ų | 4 | 23.3 Ų | 23.3 | 2% | 0.018 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -59.7 | -52 | 174.8 | -177.9 | -84.9 | 0 | 0 | 0 | 110.3 | G483 L487 V795 F798 L799 S843 V844 S849 Q850 L851 | G483-F847 WeakPolarHBondContact O-CE2 3.45Å; L487-F847 HydrophobicContact CB-CD2 4.21Å; L487-F847 HydrophobicContact CB-CE2 3.84Å; L487-F847 HydrophobicContact CD2-CD1 4.12Å; L487-F847 HydrophobicContact CD2-CD2 3.66Å; L487-F847 HydrophobicContact CD2-CE1 4.05Å; L487-F847 HydrophobicContact CD2-CE2 3.58Å; L487-F847 HydrophobicContact CD2-CG 3.92Å; L487-F847 HydrophobicContact CD2-CZ 3.78Å; L487-F847 WeakPolarHBondContact CD2-O 3.37Å; L487-F847 HydrophobicContact CG-CE2 4.33Å; V795-F847 HydrophobicContact CG1-CZ 4.45Å; F798-F847 HydrophobicContact CD1-CD2 4.07Å; F798-F847 HydrophobicContact CD1-CE1 4.37Å; F798-F847 AromaticContact CD1-CE2 3.38Å; F798-F847 HydrophobicContact CD1-CE2 3.38Å; F798-F847 AromaticContact CD1-CZ 3.56Å; F798-F847 HydrophobicContact CD1-CZ 3.56Å; F798-F847 AromaticContact CE1-CD2 3.71Å; F798-F847 HydrophobicContact CE1-CD2 3.71Å; F798-F847 AromaticContact CE1-CE2 3.52Å; F798-F847 HydrophobicContact CE1-CE2 3.52Å; F798-F847 HydrophobicContact CE1-CG 4.31Å; F798-F847 AromaticContact CE1-CZ 3.97Å; F798-F847 HydrophobicContact CE1-CZ 3.97Å; L799-F847 HydrophobicContact CD1-CE1 4.45Å; L799-F847 HydrophobicContact CD2-CE1 3.63Å; L799-F847 HydrophobicContact CD2-CZ 4.3Å; L799-F847 HydrophobicContact CG-CE1 3.84Å; L799-F847 HydrophobicContact CG-CZ 4.01Å; S843-F847 WeakPolarHBondContact O-CB 3.49Å; S843-F847 PolarHBondContact O-N 2.66Å; V844-F847 WeakPolarHBondContact O-CB 3.3Å; V844-F847 PolarHBondContact O-N 3.31Å; F847-S849 VanDerWaalsContact C-N 3.35Å; F847-S849 PolarHBondContact O-N 3.12Å; F847-Q850 PolarHBondContact O-N 3.13Å; F847-Q850 VanDerWaalsContact O-N 3.16Å; F847-L851 HydrophobicContact CE1-CD2 4.29Å; F847-L851 WeakPolarHBondContact O-CB 3.44Å; F847-L851 PolarHBondContact O-N 3.45Å |
| 848 | V | 89.3 | Confident | 86.9 | Confident | 5 Ų | 5 | 22.4 Ų | 22.4 | 3% | 0.03 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63 | -40.3 | -180 | 173.3 | 0 | 0 | 0 | 0 | 111.6 | V844 E845 Q850 L851 I852 L1027 V1029 I1045 | V844-V848 HydrophobicContact CG1-CG2 4.26Å; V844-V848 WeakPolarHBondContact O-CG2 3.38Å; V844-V848 PolarHBondContact O-N 3.04Å; E845-V848 PolarHBondContact O-N 3.29Å; V848-Q850 VanDerWaalsContact C-N 3.25Å; V848-Q850 PolarHBondContact O-N 3.03Å; V848-L851 WeakPolarHBondContact O-CB 3.5Å; V848-L851 PolarHBondContact O-N 3.45Å; V848-L851 VanDerWaalsContact O-N 3.11Å; V848-I852 WeakPolarHBondContact O-CG1 3.4Å; V848-I852 PolarHBondContact O-N 3.12Å; V848-I852 VanDerWaalsContact O-N 3.16Å; V848-L1027 HydrophobicContact CB-CD2 4.39Å; V848-L1027 HydrophobicContact CG2-CD1 4.03Å; V848-L1027 HydrophobicContact CG2-CD2 4.13Å; V848-V1029 HydrophobicContact CG1-CG2 3.72Å; V848-I1045 HydrophobicContact CG1-CD1 4.28Å |
| 849 | S | 87.9 | Confident | 87.2 | Confident | 29 Ų | 29 | 20.2 Ų | 20.2 | 20% | 0.203 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -59.4 | -35.5 | 176.4 | -175.1 | 0 | 0 | 0 | 0 | 112.6 | E845 R846 F847 P853 | E845-S849 VanDerWaalsContact O-CB 3.26Å; E845-S849 WeakPolarHBondContact O-CB 3.42Å; E845-S849 PolarHBondContact O-N 3.33Å; R846-S849 PolarHBondContact O-N 2.95Å; F847-S849 VanDerWaalsContact C-N 3.35Å; F847-S849 PolarHBondContact O-N 3.12Å; S849-P853 WeakPolarHBondContact O-CD 3.28Å |
| 850 | Q | 89.3 | Confident | 87.4 | Confident | 43 Ų | 43 | 19.6 Ų | 19.6 | 20% | 0.201 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -81.5 | -27.4 | 175.6 | -67.6 | 179 | 73.6 | 0 | 0 | 113.1 | L487 T488 C491 R846 F847 V848 P853 | L487-Q850 HydrophobicContact CD2-CB 3.75Å; L487-Q850 HydrophobicContact CG-CB 3.99Å; T488-Q850 VanDerWaalsContact CB-OE1 3.23Å; T488-Q850 PolarHBondContact OG1-NE2 3.13Å; T488-Q850 PolarHBondContact OG1-OE1 3.19Å; C491-Q850 PolarHBondContact SG-O 2.84Å; C491-Q850 VanDerWaalsContact SG-O 3.41Å; R846-Q850 WeakPolarHBondContact O-CG 3.24Å; R846-Q850 PolarHBondContact O-N 3.1Å; R846-Q850 VanDerWaalsContact O-N 3.16Å; R846-Q850 PolarHBondContact O-NE2 3.31Å; F847-Q850 PolarHBondContact O-N 3.13Å; F847-Q850 VanDerWaalsContact O-N 3.16Å; V848-Q850 VanDerWaalsContact C-N 3.25Å; V848-Q850 PolarHBondContact O-N 3.03Å; Q850-P853 WeakPolarHBondContact O-CD 3.5Å |
| 851 | L | 92.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -67.4 | -38.1 | 178.1 | 179.8 | 62.7 | 0 | 0 | 0 | 111.6 | L487 V795 L799 F847 V848 L854 L855 L1018 | L487-L851 HydrophobicContact CD2-CB 4.08Å; V795-L851 HydrophobicContact CG1-CD1 4.45Å; L799-L851 HydrophobicContact CD1-CD1 3.78Å; L799-L851 HydrophobicContact CD1-CD2 3.8Å; L799-L851 HydrophobicContact CD1-CG 4.45Å; L799-L851 HydrophobicContact CD2-CD2 3.87Å; L799-L851 HydrophobicContact CG-CD2 4.41Å; F847-L851 HydrophobicContact CE1-CD2 4.29Å; F847-L851 WeakPolarHBondContact O-CB 3.44Å; F847-L851 PolarHBondContact O-N 3.45Å; V848-L851 WeakPolarHBondContact O-CB 3.5Å; V848-L851 PolarHBondContact O-N 3.45Å; V848-L851 VanDerWaalsContact O-N 3.11Å; L851-L854 HydrophobicContact CD1-CD2 4.2Å; L851-L854 WeakPolarHBondContact O-CA 3.47Å; L851-L854 WeakPolarHBondContact O-CB 3.47Å; L851-L854 PolarHBondContact O-N 3.09Å; L851-L854 VanDerWaalsContact O-N 3.07Å; L851-L855 HydrophobicContact CD1-CD2 4.43Å; L851-L855 HydrophobicContact CD1-CG 4.21Å; L851-L855 HydrophobicContact CD2-CD1 4.45Å; L851-L855 HydrophobicContact CG-CD1 4.03Å; L851-L855 HydrophobicContact CG-CG 4.1Å; L851-L855 WeakPolarHBondContact O-CG 3.49Å; L851-L855 PolarHBondContact O-N 3.49Å; L851-L1018 HydrophobicContact CD2-CD1 3.72Å |
| 852 | I | 90.8 | Very high | 87.9 | Confident | 9 Ų | 9 | 19 Ų | 19 | 5% | 0.046 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -59.8 | -47.8 | -177.6 | -64.9 | -33.8 | 0 | 0 | 0 | 113.2 | V848 L854 L855 N856 V1029 F1041 C1043 | V848-I852 WeakPolarHBondContact O-CG1 3.4Å; V848-I852 PolarHBondContact O-N 3.12Å; V848-I852 VanDerWaalsContact O-N 3.16Å; I852-L854 VanDerWaalsContact C-N 3.28Å; I852-L854 PolarHBondContact O-N 3.21Å; I852-L855 HydrophobicContact CD1-CD1 3.96Å; I852-L855 PolarHBondContact O-N 3.21Å; I852-N856 PolarHBondContact O-N 3.26Å; I852-N856 PolarHBondContact O-ND2 2.9Å; I852-V1029 HydrophobicContact CD1-CG1 3.93Å; I852-V1029 HydrophobicContact CD1-CG2 4.4Å; I852-F1041 HydrophobicContact CD1-CB 4.36Å; I852-F1041 HydrophobicContact CG2-CB 3.87Å; I852-F1041 WeakPolarHBondContact CG2-O 3.18Å; I852-C1043 HydrophobicContact CB-CB 4.22Å; I852-C1043 HydrophobicContact CG1-CB 3.51Å; I852-C1043 HydrophobicContact CG2-CB 4.36Å |
| 853 | P | 85.7 | Confident | 87.9 | Confident | 39 Ų | 39 | 22.5 Ų | 22.5 | 25% | 0.253 | 12% | 0.118 | S | C | . | . | H | α-helix | trans | -56.8 | -38.5 | 171.2 | -26.9 | 33.2 | 0 | 0 | 0 | 113.9 | M502 S849 Q850 N856 S857 | M502-P853 HydrophobicContact CE-CB 3.86Å; M502-P853 HydrophobicContact SD-CB 3.72Å; S849-P853 WeakPolarHBondContact O-CD 3.28Å; Q850-P853 WeakPolarHBondContact O-CD 3.5Å; P853-N856 PolarHBondContact O-N 3.08Å; P853-S857 PolarHBondContact O-N 3.17Å; P853-S857 PolarHBondContact O-OG 2.97Å |
| 854 | L | 90.8 | Very high | 87.9 | Confident | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.8 | -47.3 | 175.4 | 173.9 | 61.9 | 0 | 0 | 0 | 111.2 | L487 V490 I494 F786 F792 V795 L851 I852 N856 S857 I858 | L487-L854 HydrophobicContact CD1-CD2 3.62Å; V490-L854 HydrophobicContact CG1-CD1 4.22Å; V490-L854 HydrophobicContact CG1-CD2 4.31Å; I494-L854 HydrophobicContact CD1-CD1 3.26Å; F786-L854 HydrophobicContact CE1-CD1 4.08Å; F792-L854 HydrophobicContact CE2-CD1 4.33Å; F792-L854 HydrophobicContact CE2-CD2 4.43Å; V795-L854 HydrophobicContact CG1-CD2 4.1Å; L851-L854 HydrophobicContact CD1-CD2 4.2Å; L851-L854 WeakPolarHBondContact O-CA 3.47Å; L851-L854 WeakPolarHBondContact O-CB 3.47Å; L851-L854 PolarHBondContact O-N 3.09Å; L851-L854 VanDerWaalsContact O-N 3.07Å; I852-L854 VanDerWaalsContact C-N 3.28Å; I852-L854 PolarHBondContact O-N 3.21Å; L854-N856 VanDerWaalsContact C-N 3.33Å; L854-N856 PolarHBondContact O-N 3.09Å; L854-S857 WeakPolarHBondContact O-CA 3.32Å; L854-S857 VanDerWaalsContact O-CB 3.31Å; L854-S857 WeakPolarHBondContact O-CB 3.42Å; L854-S857 PolarHBondContact O-N 2.87Å; L854-I858 HydrophobicContact CD1-CD1 4.04Å; L854-I858 HydrophobicContact CD1-CG1 4.37Å; L854-I858 HydrophobicContact CG-CD1 3.95Å; L854-I858 WeakPolarHBondContact O-CG1 3.45Å; L854-I858 PolarHBondContact O-N 3.34Å |
| 855 | L | 91.1 | Very high | 87.9 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.3 | -42.3 | 177.2 | -67 | 175.1 | 0 | 0 | 0 | 111.9 | L851 I852 S857 I858 N859 L1011 F1041 | L851-L855 HydrophobicContact CD1-CD2 4.43Å; L851-L855 HydrophobicContact CD1-CG 4.21Å; L851-L855 HydrophobicContact CD2-CD1 4.45Å; L851-L855 HydrophobicContact CG-CD1 4.03Å; L851-L855 HydrophobicContact CG-CG 4.1Å; L851-L855 WeakPolarHBondContact O-CG 3.49Å; L851-L855 PolarHBondContact O-N 3.49Å; I852-L855 HydrophobicContact CD1-CD1 3.96Å; I852-L855 PolarHBondContact O-N 3.21Å; L855-S857 PolarHBondContact O-N 3.36Å; L855-I858 PolarHBondContact O-N 2.88Å; L855-I858 VanDerWaalsContact O-N 3.12Å; L855-N859 PolarHBondContact O-N 2.98Å; L855-L1011 HydrophobicContact CD2-CB 4.02Å; L855-L1011 WeakPolarHBondContact CD2-O 3.22Å; L855-F1041 HydrophobicContact CB-CD2 3.66Å; L855-F1041 HydrophobicContact CB-CE2 4.05Å; L855-F1041 HydrophobicContact CB-CG 4.2Å; L855-F1041 HydrophobicContact CD1-CD1 4.32Å; L855-F1041 HydrophobicContact CD1-CD2 4.33Å; L855-F1041 HydrophobicContact CD1-CG 4.23Å |
| 856 | N | 87.8 | Confident | 87.9 | Confident | 25 Ų | 25 | 22.6 Ų | 22.6 | 13% | 0.134 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -64.8 | -28.4 | 174.4 | -72 | -36.4 | 0 | 0 | 0 | 112.6 | I852 P853 L854 P860 P1040 F1041 | I852-N856 PolarHBondContact O-N 3.26Å; I852-N856 PolarHBondContact O-ND2 2.9Å; P853-N856 PolarHBondContact O-N 3.08Å; L854-N856 VanDerWaalsContact C-N 3.33Å; L854-N856 PolarHBondContact O-N 3.09Å; N856-P860 WeakPolarHBondContact O-CD 3.2Å; N856-P1040 VanDerWaalsContact OD1-CD 3.29Å; N856-P1040 WeakPolarHBondContact OD1-CD 3.39Å; N856-F1041 PolarHBondContact ND2-O 3.18Å; N856-F1041 PolarHBondContact OD1-N 3.25Å; N856-F1041 VanDerWaalsContact OD1-N 3.11Å; N856-F1041 PolarHBondContact OD1-O 3.21Å |
| 857 | S | 85.8 | Confident | 87.7 | Confident | 6 Ų | 6 | 23.5 Ų | 23.5 | 4% | 0.042 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -74.4 | -29 | 172.9 | -61.7 | 0 | 0 | 0 | 0 | 113.3 | M502 R782 P853 L854 L855 | M502-S857 WeakPolarHBondContact CG-OG 3.5Å; M502-S857 PolarHBondContact SD-OG 3.3Å; R782-S857 PolarHBondContact NH1-O 2.98Å; P853-S857 PolarHBondContact O-N 3.17Å; P853-S857 PolarHBondContact O-OG 2.97Å; L854-S857 WeakPolarHBondContact O-CA 3.32Å; L854-S857 VanDerWaalsContact O-CB 3.31Å; L854-S857 WeakPolarHBondContact O-CB 3.42Å; L854-S857 PolarHBondContact O-N 2.87Å; L855-S857 PolarHBondContact O-N 3.36Å |
| 858 | I | 88.8 | Confident | 87.5 | Confident | 0 Ų | 0 | 24.2 Ų | 24.2 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -79.1 | -33.4 | 176.6 | -68.7 | 166 | 0 | 0 | 0 | 110.8 | F786 F792 L854 L855 P860 I861 F862 C1008 L1011 | F786-I858 HydrophobicContact CE1-CG1 3.98Å; F786-I858 HydrophobicContact CE2-CG1 4.34Å; F786-I858 HydrophobicContact CZ-CG1 3.74Å; F792-I858 HydrophobicContact CE2-CD1 3.92Å; F792-I858 HydrophobicContact CZ-CD1 3.87Å; F792-I858 HydrophobicContact CZ-CG1 4.46Å; L854-I858 HydrophobicContact CD1-CD1 4.04Å; L854-I858 HydrophobicContact CD1-CG1 4.37Å; L854-I858 HydrophobicContact CG-CD1 3.95Å; L854-I858 WeakPolarHBondContact O-CG1 3.45Å; L854-I858 PolarHBondContact O-N 3.34Å; L855-I858 PolarHBondContact O-N 2.88Å; L855-I858 VanDerWaalsContact O-N 3.12Å; I858-P860 VanDerWaalsContact C-CD 3.42Å; I858-P860 VanDerWaalsContact C-N 3.35Å; I858-P860 VanDerWaalsContact O-N 3.13Å; I858-I861 WeakPolarHBondContact O-CB 3.43Å; I858-I861 PolarHBondContact O-N 3.23Å; I858-F862 PolarHBondContact O-N 2.89Å; I858-C1008 HydrophobicContact CG2-CB 3.48Å; I858-C1008 VanDerWaalsContact CG2-CB 3.48Å; I858-L1011 HydrophobicContact CD1-CB 4.21Å; I858-L1011 HydrophobicContact CD1-CD1 3.78Å |
| 859 | N | 86.5 | Confident | 87.2 | Confident | 9 Ų | 9 | 24.3 Ų | 24.3 | 5% | 0.048 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -51.1 | -40 | -170.2 | -160.8 | 70.6 | 0 | 0 | 0 | 115.7 | L855 I861 F862 D863 P1040 | L855-N859 PolarHBondContact O-N 2.98Å; N859-I861 PolarHBondContact O-N 3.4Å; N859-F862 CarbonylContact O-C 3.59Å; N859-F862 WeakPolarHBondContact O-CB 3.3Å; N859-F862 PolarHBondContact O-N 2.98Å; N859-D863 PolarHBondContact ND2-OD1 2.9Å; N859-D863 PolarHBondContact ND2-OD2 3.42Å; N859-D863 PolarHBondContact O-N 3.23Å; N859-P1040 HydrophobicContact CB-CG 4.04Å; N859-P1040 WeakPolarHBondContact ND2-CG 3.43Å; N859-P1040 WeakPolarHBondContact OD1-CG 3.42Å |
| 860 | P | 85.6 | Confident | 86.9 | Confident | 40 Ų | 40 | 27 Ų | 27 | 26% | 0.26 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -58.2 | -32.9 | 177 | -28.1 | 37.9 | 0 | 0 | 0 | 114.3 | N856 I858 Q864 | N856-P860 WeakPolarHBondContact O-CD 3.2Å; I858-P860 VanDerWaalsContact C-CD 3.42Å; I858-P860 VanDerWaalsContact C-N 3.35Å; I858-P860 VanDerWaalsContact O-N 3.13Å; P860-Q864 WeakPolarHBondContact O-CB 3.28Å; P860-Q864 PolarHBondContact O-N 3.24Å; P860-Q864 VanDerWaalsContact O-N 3.15Å |
| 861 | I | 87.8 | Confident | 86.6 | Confident | 2 Ų | 2 | 27.4 Ų | 27.4 | 1% | 0.01 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -68.5 | -45.3 | 174.9 | -58.6 | 174.4 | 0 | 0 | 0 | 109.4 | R782 I783 F786 I858 N859 M865 I913 | R782-I861 HydrophobicContact CB-CD1 3.97Å; R782-I861 HydrophobicContact CB-CG1 4.24Å; I783-I861 HydrophobicContact CD1-CG2 4.48Å; I783-I861 HydrophobicContact CG1-CD1 4Å; I783-I861 HydrophobicContact CG1-CG1 4.38Å; I783-I861 HydrophobicContact CG1-CG2 4.29Å; F786-I861 HydrophobicContact CD2-CD1 3.61Å; F786-I861 HydrophobicContact CE2-CD1 3.74Å; I858-I861 WeakPolarHBondContact O-CB 3.43Å; I858-I861 PolarHBondContact O-N 3.23Å; N859-I861 PolarHBondContact O-N 3.4Å; I861-M865 VanDerWaalsContact O-CB 3.23Å; I861-M865 WeakPolarHBondContact O-CB 3.45Å; I861-M865 PolarHBondContact O-N 3.33Å; I861-I913 HydrophobicContact CG2-CD1 4.06Å |
| 862 | F | 86.2 | Confident | 85.8 | Confident | 29 Ų | 29 | 31 Ų | 31 | 13% | 0.127 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.5 | -44.3 | 179.9 | -178.2 | -94.1 | 0 | 0 | 0 | 112.3 | I858 N859 M865 S866 F929 T1009 T1012 F1013 | I858-F862 PolarHBondContact O-N 2.89Å; N859-F862 CarbonylContact O-C 3.59Å; N859-F862 WeakPolarHBondContact O-CB 3.3Å; N859-F862 PolarHBondContact O-N 2.98Å; F862-M865 PolarHBondContact O-N 2.97Å; F862-S866 WeakPolarHBondContact O-CB 3.34Å; F862-S866 PolarHBondContact O-N 2.81Å; F862-F929 HydrophobicContact CD2-CE1 4.33Å; F862-F929 AromaticContact CD2-CZ 3.81Å; F862-F929 HydrophobicContact CD2-CZ 3.81Å; F862-F929 AromaticContact CE1-CE1 3.76Å; F862-F929 HydrophobicContact CE1-CE1 3.76Å; F862-F929 HydrophobicContact CE1-CZ 4.17Å; F862-F929 AromaticContact CE2-CE1 3.55Å; F862-F929 HydrophobicContact CE2-CE1 3.55Å; F862-F929 HydrophobicContact CE2-CE2 4.34Å; F862-F929 AromaticContact CE2-CZ 3.36Å; F862-F929 HydrophobicContact CE2-CZ 3.36Å; F862-F929 HydrophobicContact CG-CZ 4.4Å; F862-F929 HydrophobicContact CZ-CD1 4.23Å; F862-F929 AromaticContact CZ-CE1 3.23Å; F862-F929 HydrophobicContact CZ-CE1 3.23Å; F862-F929 AromaticContact CZ-CZ 3.58Å; F862-F929 HydrophobicContact CZ-CZ 3.58Å; F862-T1009 HydrophobicContact CE2-CG2 4.37Å; F862-T1012 HydrophobicContact CD1-CG2 3.87Å; F862-T1012 HydrophobicContact CD2-CG2 3.89Å; F862-T1012 HydrophobicContact CE1-CG2 3.94Å; F862-T1012 HydrophobicContact CE2-CG2 3.95Å; F862-T1012 HydrophobicContact CG-CG2 3.83Å; F862-T1012 HydrophobicContact CZ-CG2 3.97Å; F862-F1013 HydrophobicContact CE2-CE2 4.45Å; F862-F1013 HydrophobicContact CE2-CZ 4.38Å |
| 863 | D | 84.3 | Confident | 85 | Confident | 82 Ų | 82 | 33.1 Ų | 33.1 | 44% | 0.439 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -62.3 | -49.5 | 178 | -74.1 | -9.6 | 0 | 0 | 0 | 111.5 | N859 M865 S866 H867 | N859-D863 PolarHBondContact ND2-OD1 2.9Å; N859-D863 PolarHBondContact ND2-OD2 3.42Å; N859-D863 PolarHBondContact O-N 3.23Å; D863-M865 VanDerWaalsContact C-N 3.3Å; D863-M865 PolarHBondContact O-N 3.15Å; D863-S866 PolarHBondContact O-N 3.28Å; D863-H867 WeakPolarHBondContact O-CB 3.33Å; D863-H867 PolarHBondContact O-N 3.45Å |
| 864 | Q | 85.3 | Confident | 84.2 | Confident | 28 Ų | 28 | 36.2 Ų | 36.2 | 13% | 0.131 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -61.4 | -43.2 | 177.6 | 174.8 | 164.4 | -35.6 | 0 | 0 | 110.7 | I779 P860 H867 E868 F911 I913 | I779-Q864 HydrophobicContact CG1-CB 4.43Å; P860-Q864 WeakPolarHBondContact O-CB 3.28Å; P860-Q864 PolarHBondContact O-N 3.24Å; P860-Q864 VanDerWaalsContact O-N 3.15Å; Q864-H867 PolarHBondContact O-N 3.5Å; Q864-E868 HydrophobicContact CG-CG 4.23Å; Q864-E868 VanDerWaalsContact CG-OE1 3.28Å; Q864-E868 WeakPolarHBondContact CG-OE1 3.4Å; Q864-E868 PolarHBondContact NE2-OE1 2.87Å; Q864-E868 WeakPolarHBondContact O-CB 3.29Å; Q864-E868 VanDerWaalsContact O-CG 3.3Å; Q864-E868 WeakPolarHBondContact O-CG 3.44Å; Q864-E868 PolarHBondContact O-N 2.92Å; Q864-F911 PolarHBondContact NE2-O 3.37Å; Q864-I913 HydrophobicContact CB-CD1 4.2Å; Q864-I913 HydrophobicContact CG-CD1 4.05Å; Q864-I913 HydrophobicContact CG-CG1 4.47Å |
| 865 | M | 87 | Confident | 82.8 | Confident | 1 Ų | 1 | 39.6 Ų | 39.6 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -60.6 | -46.7 | 176.8 | -177.6 | 171.1 | -158.5 | 0 | 0 | 112.3 | I861 F862 D863 H867 E868 I869 I913 L917 I925 F929 V1005 | I861-M865 VanDerWaalsContact O-CB 3.23Å; I861-M865 WeakPolarHBondContact O-CB 3.45Å; I861-M865 PolarHBondContact O-N 3.33Å; F862-M865 PolarHBondContact O-N 2.97Å; D863-M865 VanDerWaalsContact C-N 3.3Å; D863-M865 PolarHBondContact O-N 3.15Å; M865-H867 VanDerWaalsContact C-N 3.32Å; M865-H867 PolarHBondContact O-N 3.27Å; M865-E868 PolarHBondContact O-N 2.87Å; M865-I869 HydrophobicContact CE-CD1 4.02Å; M865-I869 HydrophobicContact CG-CD1 3.89Å; M865-I869 VanDerWaalsContact O-CG1 3.3Å; M865-I869 WeakPolarHBondContact O-CG1 3.31Å; M865-I869 PolarHBondContact O-N 2.98Å; M865-I913 HydrophobicContact CB-CD1 4.24Å; M865-L917 HydrophobicContact CE-CD1 3.21Å; M865-I925 HydrophobicContact CE-CB 3.71Å; M865-I925 HydrophobicContact CE-CD1 3.3Å; M865-I925 HydrophobicContact CE-CG1 4.07Å; M865-I925 HydrophobicContact CE-CG2 3.33Å; M865-I925 HydrophobicContact SD-CD1 4.05Å; M865-I925 HydrophobicContact SD-CG2 3.73Å; M865-F929 HydrophobicContact CG-CE2 4.25Å; M865-F929 HydrophobicContact SD-CE2 4.43Å; M865-V1005 HydrophobicContact CE-CG1 3.81Å; M865-V1005 HydrophobicContact SD-CG1 3.35Å; M865-V1005 WeakPolarHBondContact SD-CG1 3.44Å |
| 866 | S | 84.3 | Confident | 81.1 | Confident | 26 Ų | 26 | 43.9 Ų | 43.9 | 18% | 0.182 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -59.7 | -43.8 | 177.6 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | F862 D863 L870 F929 | F862-S866 WeakPolarHBondContact O-CB 3.34Å; F862-S866 PolarHBondContact O-N 2.81Å; D863-S866 PolarHBondContact O-N 3.28Å; S866-L870 WeakPolarHBondContact O-CB 3.45Å; S866-L870 WeakPolarHBondContact O-CD1 3.39Å; S866-L870 VanDerWaalsContact O-CG 3.27Å; S866-L870 WeakPolarHBondContact O-CG 3.47Å; S866-L870 PolarHBondContact O-N 3.5Å; S866-F929 VanDerWaalsContact CB-CE1 3.48Å; S866-F929 WeakPolarHBondContact OG-CE1 3.38Å |
| 867 | H | 84.2 | Confident | 79.3 | Confident | 116 Ų | 116 | 46.7 Ų | 46.7 | 54% | 0.537 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -64.4 | -45.4 | 177.7 | -178.7 | -83.2 | 0 | 0 | 0 | 111.8 | D863 Q864 M865 I869 L870 C871 | D863-H867 WeakPolarHBondContact O-CB 3.33Å; D863-H867 PolarHBondContact O-N 3.45Å; Q864-H867 PolarHBondContact O-N 3.5Å; M865-H867 VanDerWaalsContact C-N 3.32Å; M865-H867 PolarHBondContact O-N 3.27Å; H867-I869 PolarHBondContact O-N 2.78Å; H867-L870 PolarHBondContact O-N 2.69Å; H867-C871 PolarHBondContact CE1-SG 3.23Å; H867-C871 WeakPolarHBondContact O-CB 3.31Å; H867-C871 PolarHBondContact O-N 3.33Å; H867-C871 PolarHBondContact O-SG 2.86Å; H867-C871 VanDerWaalsContact O-SG 3.34Å |
| 868 | E | 86 | Confident | 77.2 | Confident | 20 Ų | 20 | 49.9 Ų | 49.9 | 9% | 0.093 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -61.1 | -41.4 | 177.7 | -74.6 | 174.7 | -172.9 | 0 | 0 | 112.6 | Q864 M865 K872 N912 I913 V914 | Q864-E868 HydrophobicContact CG-CG 4.23Å; Q864-E868 VanDerWaalsContact CG-OE1 3.28Å; Q864-E868 WeakPolarHBondContact CG-OE1 3.4Å; Q864-E868 PolarHBondContact NE2-OE1 2.87Å; Q864-E868 WeakPolarHBondContact O-CB 3.29Å; Q864-E868 VanDerWaalsContact O-CG 3.3Å; Q864-E868 WeakPolarHBondContact O-CG 3.44Å; Q864-E868 PolarHBondContact O-N 2.92Å; M865-E868 PolarHBondContact O-N 2.87Å; E868-K872 WeakPolarHBondContact O-CB 2.91Å; E868-K872 PolarHBondContact O-N 3.27Å; E868-N912 WeakPolarHBondContact OE1-CA 3.41Å; E868-N912 PolarHBondContact OE2-OD1 2.96Å; E868-I913 PolarHBondContact OE1-N 3.43Å; E868-I913 VanDerWaalsContact OE1-N 3.16Å; E868-I913 WeakPolarHBondContact OE2-CA 3.21Å; E868-I913 WeakPolarHBondContact OE2-CB 3.38Å; E868-I913 PolarHBondContact OE2-N 3.33Å; E868-V914 HydrophobicContact CB-CB 4.3Å; E868-V914 HydrophobicContact CB-CG2 3.67Å; E868-V914 WeakPolarHBondContact OE2-CG2 3.45Å; E868-V914 PolarHBondContact OE2-N 3.32Å |
| 869 | I | 84.4 | Confident | 74.9 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 3% | 0.031 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.7 | -46.1 | 175.9 | -67.7 | 167.6 | 0 | 0 | 0 | 110.6 | M865 H867 K872 N873 V914 Y922 I925 E926 F929 | M865-I869 HydrophobicContact CE-CD1 4.02Å; M865-I869 HydrophobicContact CG-CD1 3.89Å; M865-I869 VanDerWaalsContact O-CG1 3.3Å; M865-I869 WeakPolarHBondContact O-CG1 3.31Å; M865-I869 PolarHBondContact O-N 2.98Å; H867-I869 PolarHBondContact O-N 2.78Å; I869-K872 PolarHBondContact O-N 3.36Å; I869-N873 PolarHBondContact O-N 3.16Å; I869-V914 HydrophobicContact CG1-CG2 3.92Å; I869-Y922 HydrophobicContact CG1-CE2 3.94Å; I869-I925 HydrophobicContact CD1-CG2 3.96Å; I869-E926 HydrophobicContact CG2-CB 4.42Å; I869-E926 HydrophobicContact CG2-CG 4.17Å; I869-F929 HydrophobicContact CD1-CD2 3.6Å; I869-F929 HydrophobicContact CD1-CE2 3.76Å |
| 870 | L | 81.9 | Confident | 72.7 | Confident | 85 Ų | 85 | 61.6 Ų | 61.6 | 45% | 0.445 | 34% | 0.336 | S | S | . | . | H | α-helix | trans | -60.5 | -47.4 | 178.1 | -75.4 | 166.4 | 0 | 0 | 0 | 111.8 | S866 H867 K872 N873 I874 I933 | S866-L870 WeakPolarHBondContact O-CB 3.45Å; S866-L870 WeakPolarHBondContact O-CD1 3.39Å; S866-L870 VanDerWaalsContact O-CG 3.27Å; S866-L870 WeakPolarHBondContact O-CG 3.47Å; S866-L870 PolarHBondContact O-N 3.5Å; H867-L870 PolarHBondContact O-N 2.69Å; L870-K872 VanDerWaalsContact C-N 3.34Å; L870-K872 PolarHBondContact O-N 3.34Å; L870-N873 PolarHBondContact O-N 2.73Å; L870-I874 WeakPolarHBondContact O-CG1 3.32Å; L870-I874 PolarHBondContact O-N 2.88Å; L870-I874 VanDerWaalsContact O-N 3.1Å; L870-I933 HydrophobicContact CD2-CD1 4.43Å |
| 871 | C | 81.1 | Confident | 70.3 | Confident | 53 Ų | 53 | 64.5 Ų | 64.5 | 36% | 0.358 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -60.3 | -42.9 | 177 | -71.5 | 0 | 0 | 0 | 0 | 112 | H867 N873 I874 T875 | H867-C871 PolarHBondContact CE1-SG 3.23Å; H867-C871 WeakPolarHBondContact O-CB 3.31Å; H867-C871 PolarHBondContact O-N 3.33Å; H867-C871 PolarHBondContact O-SG 2.86Å; H867-C871 VanDerWaalsContact O-SG 3.34Å; C871-N873 VanDerWaalsContact C-N 3.33Å; C871-N873 PolarHBondContact O-N 3.17Å; C871-I874 PolarHBondContact O-N 3.13Å; C871-T875 WeakPolarHBondContact O-CG2 3.39Å; C871-T875 PolarHBondContact O-N 3.4Å; C871-T875 VanDerWaalsContact O-N 3.09Å; C871-T875 PolarHBondContact O-OG1 3.4Å |
| 872 | K | 77.1 | Confident | 67.7 | Low | 75 Ų | 75 | 72.8 Ų | 72.8 | 33% | 0.326 | 40% | 0.395 | S | S | . | . | H | α-helix | trans | -63.3 | -39.6 | 178.7 | -165.5 | 168.4 | 176.5 | -175.6 | 0 | 111.7 | E868 I869 L870 T875 N876 V914 Y922 | E868-K872 WeakPolarHBondContact O-CB 2.91Å; E868-K872 PolarHBondContact O-N 3.27Å; I869-K872 PolarHBondContact O-N 3.36Å; L870-K872 VanDerWaalsContact C-N 3.34Å; L870-K872 PolarHBondContact O-N 3.34Å; K872-T875 PolarHBondContact O-N 2.97Å; K872-T875 PolarHBondContact O-OG1 3.39Å; K872-N876 PolarHBondContact O-N 3.43Å; K872-N876 VanDerWaalsContact O-N 3.09Å; K872-N876 PolarHBondContact O-ND2 3.49Å; K872-V914 HydrophobicContact CD-CG1 3.87Å; K872-Y922 HydrophobicContact CD-CE2 4.21Å |
| 873 | N | 73.9 | Confident | 65.2 | Low | 54 Ų | 54 | 79.3 Ų | 79.3 | 29% | 0.289 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -66.7 | -38.2 | 177.6 | -74.5 | -8.2 | 0 | 0 | 0 | 112.9 | I869 L870 C871 N876 T877 E926 | I869-N873 PolarHBondContact O-N 3.16Å; L870-N873 PolarHBondContact O-N 2.73Å; C871-N873 VanDerWaalsContact C-N 3.33Å; C871-N873 PolarHBondContact O-N 3.17Å; N873-N876 PolarHBondContact O-N 3.03Å; N873-T877 PolarHBondContact O-N 2.89Å; N873-T877 VanDerWaalsContact O-N 3.12Å; N873-T877 PolarHBondContact O-OG1 2.88Å; N873-E926 PolarHBondContact ND2-OE1 3.45Å; N873-E926 PolarHBondContact OD1-OE1 3.02Å |
| 874 | I | 68.7 | Low | 62.7 | Low | 103 Ų | 103 | 80.2 Ų | 80.2 | 53% | 0.528 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -62.6 | -45 | 173.5 | -64.4 | 165.4 | 0 | 0 | 0 | 110.9 | L870 C871 N876 T877 S878 | L870-I874 WeakPolarHBondContact O-CG1 3.32Å; L870-I874 PolarHBondContact O-N 2.88Å; L870-I874 VanDerWaalsContact O-N 3.1Å; C871-I874 PolarHBondContact O-N 3.13Å; I874-N876 VanDerWaalsContact C-N 3.28Å; I874-N876 PolarHBondContact O-N 2.8Å; I874-T877 WeakPolarHBondContact CA-OG1 3.4Å; I874-T877 PolarHBondContact O-N 2.85Å; I874-T877 PolarHBondContact O-OG1 3.26Å; I874-S878 PolarHBondContact O-N 3Å; I874-S878 VanDerWaalsContact O-N 3.1Å |
| 875 | T | 60.4 | Low | 60.2 | Low | 72 Ų | 72 | 87.8 Ų | 87.8 | 44% | 0.442 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.3 | -27.6 | 179.3 | 60.2 | 0 | 0 | 0 | 0 | 113.8 | C871 K872 S878 | C871-T875 WeakPolarHBondContact O-CG2 3.39Å; C871-T875 PolarHBondContact O-N 3.4Å; C871-T875 VanDerWaalsContact O-N 3.09Å; C871-T875 PolarHBondContact O-OG1 3.4Å; K872-T875 PolarHBondContact O-N 2.97Å; K872-T875 PolarHBondContact O-OG1 3.39Å; T875-S878 PolarHBondContact O-OG 3.38Å |
| 876 | N | 57.1 | Low | 57.4 | Low | 89 Ų | 89 | 97.8 Ų | 97.8 | 48% | 0.476 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -74.1 | -39.5 | 174 | -73.3 | -22.7 | 0 | 0 | 0 | 111.3 | K872 N873 I874 K879 S880 | K872-N876 PolarHBondContact O-N 3.43Å; K872-N876 VanDerWaalsContact O-N 3.09Å; K872-N876 PolarHBondContact O-ND2 3.49Å; N873-N876 PolarHBondContact O-N 3.03Å; I874-N876 VanDerWaalsContact C-N 3.28Å; I874-N876 PolarHBondContact O-N 2.8Å; N876-K879 PolarHBondContact O-N 3.1Å; N876-S880 PolarHBondContact O-N 2.94Å; N876-S880 PolarHBondContact O-OG 2.95Å |
| 877 | T | 49.3 | Very low | 54.8 | Low | 84 Ų | 84 | 100 Ų | 100 | 52% | 0.515 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 176.9 | 44.3 | 0 | 0 | 0 | 0 | 113.2 | N873 I874 K879 S880 | N873-T877 PolarHBondContact O-N 2.89Å; N873-T877 VanDerWaalsContact O-N 3.12Å; N873-T877 PolarHBondContact O-OG1 2.88Å; I874-T877 WeakPolarHBondContact CA-OG1 3.4Å; I874-T877 PolarHBondContact O-N 2.85Å; I874-T877 PolarHBondContact O-OG1 3.26Å; T877-K879 PolarHBondContact O-N 3.34Å; T877-S880 WeakPolarHBondContact CA-OG 3.14Å; T877-S880 PolarHBondContact O-N 3.02Å; T877-S880 PolarHBondContact O-OG 2.75Å |
| 878 | S | 42.2 | Very low | 52.2 | Low | 73 Ų | 73 | 103 Ų | 103 | 51% | 0.51 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -66.7 | -37.1 | 177.8 | 60.9 | 0 | 0 | 0 | 0 | 112.4 | I874 T875 S880 C881 | I874-S878 PolarHBondContact O-N 3Å; I874-S878 VanDerWaalsContact O-N 3.1Å; T875-S878 PolarHBondContact O-OG 3.38Å; S878-S880 VanDerWaalsContact C-N 3.33Å; S878-S880 PolarHBondContact O-N 3.49Å; S878-C881 PolarHBondContact O-N 3.15Å |
| 879 | K | 39.9 | Very low | 49.4 | Very low | 167 Ų | 167 | 109.3 Ų | 109.3 | 73% | 0.726 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -69 | -28.4 | 176 | -73.3 | -178 | 179.9 | 179.8 | 0 | 113.4 | N876 T877 C881 | N876-K879 PolarHBondContact O-N 3.1Å; T877-K879 PolarHBondContact O-N 3.34Å; K879-C881 VanDerWaalsContact C-N 3.33Å |
| 880 | S | 40.6 | Very low | 46.7 | Very low | 89 Ų | 89 | 117.7 Ų | 117.7 | 62% | 0.622 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -76.9 | -15 | 178 | 54.5 | 0 | 0 | 0 | 0 | 114.6 | N876 T877 S878 | N876-S880 PolarHBondContact O-N 2.94Å; N876-S880 PolarHBondContact O-OG 2.95Å; T877-S880 WeakPolarHBondContact CA-OG 3.14Å; T877-S880 PolarHBondContact O-N 3.02Å; T877-S880 PolarHBondContact O-OG 2.75Å; S878-S880 VanDerWaalsContact C-N 3.33Å; S878-S880 PolarHBondContact O-N 3.49Å |
| 881 | C | 34.5 | Very low | 44 | Very low | 100 Ų | 100 | 123.2 Ų | 123.2 | 68% | 0.676 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.1 | 1.4 | -177 | -80.9 | 0 | 0 | 0 | 0 | 115.2 | S878 K879 I883 | S878-C881 PolarHBondContact O-N 3.15Å; K879-C881 VanDerWaalsContact C-N 3.33Å; C881-I883 VanDerWaalsContact C-N 3.32Å; C881-I883 PolarHBondContact O-N 3.05Å |
| 882 | E | 32.8 | Very low | 41.4 | Very low | 177 Ų | 177 | 128.4 Ų | 128.4 | 83% | 0.827 | 68% | 0.682 | S | S | * | * | S | Bend | trans | -84.7 | 9.9 | -180 | -76.5 | -169.5 | 165.8 | 0 | 0 | 115.4 | ||
| 883 | I | 34.9 | Very low | 38.9 | Very low | 166 Ų | 166 | 135.4 Ų | 135.4 | 85% | 0.851 | 71% | 0.706 | S | S | * | * | S | Bend | trans | -130.3 | 67.7 | 172.9 | -45.3 | 177.4 | 0 | 0 | 0 | 111 | C881 | C881-I883 VanDerWaalsContact C-N 3.32Å; C881-I883 PolarHBondContact O-N 3.05Å |
| 884 | S | 31.2 | Very low | 36.6 | Very low | 101 Ų | 101 | 139.5 Ų | 139.5 | 71% | 0.706 | 73% | 0.727 | S | S | * | * | trans | -160.4 | 96.8 | 150.7 | 55.9 | 0 | 0 | 0 | 0 | 109.6 | F886 | S884-F886 PolarHBondContact O-N 2.94Š| ||
| 885 | H | 32.2 | Very low | 34.6 | Very low | 187 Ų | 187 | 140.5 Ų | 140.5 | 87% | 0.866 | 73% | 0.734 | S | S | * | * | trans | -53.6 | 115 | 158.5 | -82.5 | -74.6 | 0 | 0 | 0 | 108.7 | ||||
| 886 | F | 27.9 | Very low | 33.1 | Very low | 211 Ų | 211 | 142 Ų | 142 | 93% | 0.925 | 75% | 0.747 | S | S | * | * | trans | -167.2 | 119.9 | 143.7 | -106.4 | -71.8 | 0 | 0 | 0 | 111.6 | S884 | S884-F886 PolarHBondContact O-N 2.94Š| ||
| 887 | G | 30.5 | Very low | 31.5 | Very low | 71 Ų | 71 | 141.3 Ų | 141.3 | 73% | 0.732 | 75% | 0.748 | S | S | * | * | trans | 58.7 | 105.5 | 131.9 | 0 | 0 | 0 | 0 | 0 | 118.9 | N889 | G887-N889 PolarHBondContact O-N 3.17Š| ||
| 888 | E | 29.2 | Very low | 30.5 | Very low | 181 Ų | 181 | 142.3 Ų | 142.3 | 85% | 0.846 | 75% | 0.754 | S | S | * | * | trans | -41 | 126.2 | 161.5 | -63.3 | 171.1 | 153.1 | 0 | 0 | 113 | ||||
| 889 | N | 27.8 | Very low | 29.8 | Very low | 151 Ų | 151 | 147.8 Ų | 147.8 | 81% | 0.807 | 77% | 0.771 | S | S | * | * | trans | 144.2 | 83.6 | 140.2 | -74 | -34.4 | 0 | 0 | 0 | 110.5 | G887 | G887-N889 PolarHBondContact O-N 3.17Š| ||
| 890 | E | 27 | Very low | 29.3 | Very low | 183 Ų | 183 | 145.6 Ų | 145.6 | 86% | 0.855 | 77% | 0.767 | S | S | * | * | trans | -174.5 | 99.3 | 135.1 | -104.3 | 173.3 | -167.9 | 0 | 0 | 108.5 | L892 | E890-L892 VanDerWaalsContact C-N 3.28Å; E890-L892 PolarHBondContact O-N 3.42Å | ||
| 891 | Q | 26.3 | Very low | 28.8 | Very low | 200 Ų | 200 | 147.7 Ų | 147.7 | 94% | 0.935 | 78% | 0.777 | S | S | * | * | trans | -76 | 80 | -178.5 | -141.9 | 130.5 | 15.6 | 0 | 0 | 109 | R893 | Q891-R893 PolarHBondContact O-N 2.67Å; Q891-R893 VanDerWaalsContact O-N 3.1Å | ||
| 892 | L | 25.4 | Very low | 28.4 | Very low | 163 Ų | 163 | 152.2 Ų | 152.2 | 85% | 0.853 | 79% | 0.788 | S | S | * | * | trans | -65.3 | 105.2 | 166.6 | -86.4 | 159.4 | 0 | 0 | 0 | 108.3 | E890 L894 | E890-L892 VanDerWaalsContact C-N 3.28Å; E890-L892 PolarHBondContact O-N 3.42Å; L892-L894 PolarHBondContact O-N 3.21Å | ||
| 893 | R | 24.7 | Very low | 28.4 | Very low | 221 Ų | 221 | 148.5 Ų | 148.5 | 83% | 0.834 | 78% | 0.781 | S | S | * | * | trans | -57.5 | 99.1 | 174.4 | -78.5 | -178.8 | 173.4 | 159.7 | -3.6 | 110.7 | Q891 D895 | Q891-R893 PolarHBondContact O-N 2.67Å; Q891-R893 VanDerWaalsContact O-N 3.1Å; R893-D895 VanDerWaalsContact C-N 3.3Å; R893-D895 PolarHBondContact O-N 2.65Å | ||
| 894 | L | 26.6 | Very low | 28.2 | Very low | 141 Ų | 141 | 147.7 Ų | 147.7 | 74% | 0.738 | 78% | 0.779 | S | S | * | * | trans | -91.4 | 62.1 | 166 | -157.1 | 84 | 0 | 0 | 0 | 109 | L892 S896 | L892-L894 PolarHBondContact O-N 3.21Å; L894-S896 PolarHBondContact O-N 3.06Å; L894-S896 VanDerWaalsContact O-N 3.11Å | ||
| 895 | D | 25.8 | Very low | 28.3 | Very low | 124 Ų | 124 | 150.4 Ų | 150.4 | 66% | 0.663 | 78% | 0.784 | S | S | * | * | trans | -82.2 | 28.9 | -175.6 | -80.6 | -26.3 | 0 | 0 | 0 | 114 | R893 | R893-D895 VanDerWaalsContact C-N 3.3Å; R893-D895 PolarHBondContact O-N 2.65Å | ||
| 896 | S | 28.5 | Very low | 28.5 | Very low | 102 Ų | 102 | 148.5 Ų | 148.5 | 71% | 0.713 | 78% | 0.78 | S | S | * | * | S | Bend | trans | -132.5 | 49.8 | 175.1 | 68.2 | 0 | 0 | 0 | 0 | 112.4 | L894 | L894-S896 PolarHBondContact O-N 3.06Å; L894-S896 VanDerWaalsContact O-N 3.11Å |
| 897 | C | 24.6 | Very low | 29.1 | Very low | 75 Ų | 75 | 144.1 Ų | 144.1 | 51% | 0.507 | 77% | 0.766 | S | S | . | * | trans | -158.5 | 16.2 | 167.6 | -97.2 | 0 | 0 | 0 | 0 | 114.7 | H899 | C897-H899 VanDerWaalsContact C-N 3.31Å; C897-H899 PolarHBondContact O-N 3.28Å | ||
| 898 | T | 27.1 | Very low | 29.7 | Very low | 106 Ų | 106 | 150.3 Ų | 150.3 | 65% | 0.65 | 77% | 0.773 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.7 | 5.8 | -176.3 | 44.9 | 0 | 0 | 0 | 0 | 115.3 | ||
| 899 | H | 29 | Very low | 30.8 | Very low | 187 Ų | 187 | 147.8 Ų | 147.8 | 87% | 0.866 | 77% | 0.77 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -96.7 | 13 | 170.5 | -76.5 | -63 | 0 | 0 | 0 | 114.4 | C897 | C897-H899 VanDerWaalsContact C-N 3.31Å; C897-H899 PolarHBondContact O-N 3.28Å |
| 900 | L | 29.5 | Very low | 32.7 | Very low | 121 Ų | 121 | 147.5 Ų | 147.5 | 63% | 0.634 | 76% | 0.762 | S | S | * | * | S | Bend | trans | -110.4 | 14.3 | -173.4 | -80.4 | 168.4 | 0 | 0 | 0 | 116.5 | ||
| 901 | T | 28.4 | Very low | 35 | Very low | 134 Ų | 134 | 141 Ų | 141 | 82% | 0.822 | 73% | 0.731 | S | S | * | * | S | Bend | trans | -115.9 | 9.1 | 176.3 | 46.1 | 0 | 0 | 0 | 0 | 115.6 | ||
| 902 | E | 26.9 | Very low | 37.7 | Very low | 194 Ų | 194 | 134 Ų | 134 | 91% | 0.907 | 70% | 0.699 | S | S | * | * | trans | -121 | 57.4 | 169.6 | -72.5 | -174.1 | 173.7 | 0 | 0 | 111.1 | ||||
| 903 | S | 32.3 | Very low | 40.5 | Very low | 100 Ų | 100 | 126.2 Ų | 126.2 | 70% | 0.699 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -108 | 110.4 | 160.6 | 61.8 | 0 | 0 | 0 | 0 | 108.7 | ||
| 904 | N | 30.7 | Very low | 43.3 | Very low | 148 Ų | 148 | 116 Ų | 116 | 79% | 0.791 | 62% | 0.621 | S | S | * | * | trans | -30.1 | 132.7 | 177 | -85.6 | -36.1 | 0 | 0 | 0 | 114.6 | D906 | N904-D906 PolarHBondContact O-N 3.09Š| ||
| 905 | I | 34.4 | Very low | 46 | Very low | 159 Ų | 159 | 116.4 Ų | 116.4 | 82% | 0.815 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65 | 2 | 179.4 | -71.6 | 170.4 | 0 | 0 | 0 | 113.8 | ||
| 906 | D | 35 | Very low | 48.8 | Very low | 147 Ų | 147 | 115 Ų | 115 | 79% | 0.786 | 61% | 0.608 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.8 | -1.2 | -175.8 | -93.5 | -17.3 | 0 | 0 | 0 | 116.3 | N904 K908 | N904-D906 PolarHBondContact O-N 3.09Å; D906-K908 VanDerWaalsContact C-N 3.28Å; D906-K908 PolarHBondContact O-N 3Å; D906-K908 VanDerWaalsContact O-N 3.13Å |
| 907 | D | 42.4 | Very low | 51.4 | Low | 118 Ų | 118 | 111 Ų | 111 | 63% | 0.631 | 58% | 0.578 | S | S | * | * | trans | -87.4 | 29.9 | -174.2 | -114.5 | 11.9 | 0 | 0 | 0 | 115.1 | T909 K910 | D907-T909 PolarHBondContact O-N 2.98Å; D907-K910 PolarHBondContact O-N 3.39Å | ||
| 908 | K | 41.6 | Very low | 54.1 | Low | 202 Ų | 202 | 108.8 Ų | 108.8 | 88% | 0.878 | 56% | 0.564 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.1 | 2 | 175.5 | -82.1 | -176.5 | 178.5 | 175.8 | 0 | 114.6 | D906 | D906-K908 VanDerWaalsContact C-N 3.28Å; D906-K908 PolarHBondContact O-N 3Å; D906-K908 VanDerWaalsContact O-N 3.13Å |
| 909 | T | 52.9 | Low | 56.6 | Low | 127 Ų | 127 | 109.6 Ų | 109.6 | 78% | 0.779 | 56% | 0.56 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | -5.4 | -175.5 | 54.1 | 0 | 0 | 0 | 0 | 114.7 | D907 F911 | D907-T909 PolarHBondContact O-N 2.98Å; T909-F911 PolarHBondContact O-N 3.23Å |
| 910 | K | 67.2 | Low | 58.7 | Low | 146 Ų | 146 | 103.8 Ų | 103.8 | 64% | 0.635 | 54% | 0.535 | S | S | * | . | S | Bend | trans | -77 | 126 | -177.7 | -161.6 | 171.9 | -176.9 | 176.7 | 0 | 111.5 | D907 N912 | D907-K910 PolarHBondContact O-N 3.39Å; K910-N912 PolarHBondContact O-N 3.3Å |
| 911 | F | 74.9 | Confident | 61.2 | Low | 47 Ų | 47 | 98 Ų | 98 | 21% | 0.206 | 51% | 0.505 | C | S | . | . | trans | -59.1 | 125 | 177 | -178.4 | -93.6 | 0 | 0 | 0 | 110.7 | I779 T780 I783 Q864 T909 I913 H916 | I779-F911 HydrophobicContact CG2-CD1 4.25Å; I779-F911 HydrophobicContact CG2-CE1 4.48Å; T780-F911 HydrophobicContact CG2-CD2 4.16Å; T780-F911 HydrophobicContact CG2-CE2 4.07Å; T780-F911 HydrophobicContact CG2-CZ 4.48Å; T780-F911 VanDerWaalsContact OG1-CB 3.27Å; T780-F911 WeakPolarHBondContact OG1-CB 3.38Å; T780-F911 WeakPolarHBondContact OG1-CD1 3.39Å; T780-F911 VanDerWaalsContact OG1-CD2 3.22Å; T780-F911 WeakPolarHBondContact OG1-CD2 3.49Å; T780-F911 WeakPolarHBondContact OG1-CG 3.4Å; I783-F911 HydrophobicContact CD1-CE1 4.01Å; Q864-F911 PolarHBondContact NE2-O 3.37Å; T909-F911 PolarHBondContact O-N 3.23Å; F911-I913 HydrophobicContact CD1-CG1 4.34Å; F911-I913 HydrophobicContact CE1-CG1 4.13Å; F911-H916 AromaticContact CD2-CD2 3.83Å; F911-H916 AromaticContact CD2-NE2 3.69Å; F911-H916 AromaticContact CE2-CD2 3.18Å; F911-H916 WeakPolarHBondContact CE2-CD2 3.28Å; F911-H916 AromaticContact CE2-NE2 3.29Å; F911-H916 VanDerWaalsContact CE2-NE2 3.29Å; F911-H916 WeakPolarHBondContact CE2-NE2 3.38Å; F911-H916 HydrophobicContact CZ-CB 4.39Å; F911-H916 AromaticContact CZ-CD2 3.34Å; F911-H916 WeakPolarHBondContact CZ-CD2 3.46Å; F911-H916 AromaticContact CZ-CG 3.97Å; F911-H916 AromaticContact CZ-NE2 3.98Å | ||
| 912 | N | 82.8 | Confident | 63.8 | Low | 51 Ų | 51 | 92.6 Ų | 92.6 | 27% | 0.273 | 47% | 0.47 | S | S | . | . | trans | -108.1 | 114 | 179.2 | -177.8 | -60.2 | 0 | 0 | 0 | 109.7 | E868 K910 V914 H915 H916 | E868-N912 WeakPolarHBondContact OE1-CA 3.41Å; E868-N912 PolarHBondContact OE2-OD1 2.96Å; K910-N912 PolarHBondContact O-N 3.3Å; N912-V914 PolarHBondContact O-N 3.38Å; N912-V914 WeakPolarHBondContact OD1-CA 3.37Å; N912-V914 WeakPolarHBondContact OD1-CB 3.48Å; N912-V914 PolarHBondContact OD1-N 2.69Å; N912-V914 VanDerWaalsContact OD1-N 3.1Å; N912-H915 HydrophobicContact CB-CB 4.25Å; N912-H915 PolarHBondContact O-N 3.29Å; N912-H915 PolarHBondContact OD1-CD2 3.46Å; N912-H915 PolarHBondContact OD1-N 3.23Å; N912-H916 PolarHBondContact O-CD2 3.39Å; N912-H916 VanDerWaalsContact O-CD2 3.24Å | ||
| 913 | I | 84.2 | Confident | 66.3 | Low | 0 Ų | 0 | 89.3 Ų | 89.3 | 0% | 0 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -61.8 | -46.8 | -175.5 | -54.3 | 174.2 | 0 | 0 | 0 | 109.7 | I779 I783 I861 Q864 M865 E868 F911 H915 H916 L917 V1005 | I779-I913 HydrophobicContact CG2-CD1 3.66Å; I779-I913 HydrophobicContact CG2-CG1 3.76Å; I783-I913 HydrophobicContact CD1-CD1 4.4Å; I783-I913 HydrophobicContact CD1-CG1 4.19Å; I783-I913 HydrophobicContact CD1-CG2 4.42Å; I861-I913 HydrophobicContact CG2-CD1 4.06Å; Q864-I913 HydrophobicContact CB-CD1 4.2Å; Q864-I913 HydrophobicContact CG-CD1 4.05Å; Q864-I913 HydrophobicContact CG-CG1 4.47Å; M865-I913 HydrophobicContact CB-CD1 4.24Å; E868-I913 PolarHBondContact OE1-N 3.43Å; E868-I913 VanDerWaalsContact OE1-N 3.16Å; E868-I913 WeakPolarHBondContact OE2-CA 3.21Å; E868-I913 WeakPolarHBondContact OE2-CB 3.38Å; E868-I913 PolarHBondContact OE2-N 3.33Å; F911-I913 HydrophobicContact CD1-CG1 4.34Å; F911-I913 HydrophobicContact CE1-CG1 4.13Å; I913-H915 PolarHBondContact O-N 3.13Å; I913-H916 PolarHBondContact O-N 3.19Å; I913-L917 HydrophobicContact CG2-CD1 4.24Å; I913-L917 HydrophobicContact CG2-CG 4.36Å; I913-L917 WeakPolarHBondContact O-CG 3.34Å; I913-L917 PolarHBondContact O-N 3.33Å; I913-V1005 HydrophobicContact CG2-CG2 3.93Å |
| 914 | V | 84.3 | Confident | 68.5 | Low | 8 Ų | 8 | 85.5 Ų | 85.5 | 5% | 0.048 | 42% | 0.422 | C | S | . | . | H | α-helix | trans | -57.8 | -32 | -177.7 | 164.8 | 0 | 0 | 0 | 0 | 112.8 | E868 I869 K872 N912 H916 Y922 | E868-V914 HydrophobicContact CB-CB 4.3Å; E868-V914 HydrophobicContact CB-CG2 3.67Å; E868-V914 WeakPolarHBondContact OE2-CG2 3.45Å; E868-V914 PolarHBondContact OE2-N 3.32Å; I869-V914 HydrophobicContact CG1-CG2 3.92Å; K872-V914 HydrophobicContact CD-CG1 3.87Å; N912-V914 PolarHBondContact O-N 3.38Å; N912-V914 WeakPolarHBondContact OD1-CA 3.37Å; N912-V914 WeakPolarHBondContact OD1-CB 3.48Å; N912-V914 PolarHBondContact OD1-N 2.69Å; N912-V914 VanDerWaalsContact OD1-N 3.1Å; V914-H916 VanDerWaalsContact C-N 3.32Å; V914-Y922 HydrophobicContact CB-CD2 4.33Å; V914-Y922 HydrophobicContact CB-CE2 4.34Å; V914-Y922 HydrophobicContact CG1-CD2 3.54Å; V914-Y922 HydrophobicContact CG1-CE2 3.4Å; V914-Y922 HydrophobicContact CG2-CD2 4.11Å; V914-Y922 HydrophobicContact CG2-CE2 4.01Å |
| 915 | H | 83.4 | Confident | 71 | Confident | 149 Ų | 149 | 78.5 Ų | 78.5 | 69% | 0.69 | 38% | 0.384 | S | S | * | . | H | α-helix | trans | -72.3 | -21.7 | 176.5 | -87.4 | -68.6 | 0 | 0 | 0 | 114.2 | N912 I913 | N912-H915 HydrophobicContact CB-CB 4.25Å; N912-H915 PolarHBondContact O-N 3.29Å; N912-H915 PolarHBondContact OD1-CD2 3.46Å; N912-H915 PolarHBondContact OD1-N 3.23Å; I913-H915 PolarHBondContact O-N 3.13Å |
| 916 | H | 83.7 | Confident | 73.2 | Confident | 95 Ų | 95 | 73.1 Ų | 73.1 | 44% | 0.44 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -97.7 | -9.2 | -179.7 | -71.4 | -69.5 | 0 | 0 | 0 | 114 | F911 N912 I913 V914 I1001 | F911-H916 AromaticContact CD2-CD2 3.83Å; F911-H916 AromaticContact CD2-NE2 3.69Å; F911-H916 AromaticContact CE2-CD2 3.18Å; F911-H916 WeakPolarHBondContact CE2-CD2 3.28Å; F911-H916 AromaticContact CE2-NE2 3.29Å; F911-H916 VanDerWaalsContact CE2-NE2 3.29Å; F911-H916 WeakPolarHBondContact CE2-NE2 3.38Å; F911-H916 HydrophobicContact CZ-CB 4.39Å; F911-H916 AromaticContact CZ-CD2 3.34Å; F911-H916 WeakPolarHBondContact CZ-CD2 3.46Å; F911-H916 AromaticContact CZ-CG 3.97Å; F911-H916 AromaticContact CZ-NE2 3.98Å; N912-H916 PolarHBondContact O-CD2 3.39Å; N912-H916 VanDerWaalsContact O-CD2 3.24Å; I913-H916 PolarHBondContact O-N 3.19Å; V914-H916 VanDerWaalsContact C-N 3.32Å; H916-I1001 HydrophobicContact CB-CD1 4.36Å |
| 917 | L | 84.5 | Confident | 75.2 | Confident | 16 Ų | 16 | 70 Ų | 70 | 8% | 0.084 | 34% | 0.335 | C | S | . | . | S | Bend | trans | -79.4 | 144 | 177.4 | -66.6 | 173 | 0 | 0 | 0 | 111.5 | M865 I913 V921 I925 I1001 D1002 V1005 | M865-L917 HydrophobicContact CE-CD1 3.21Å; I913-L917 HydrophobicContact CG2-CD1 4.24Å; I913-L917 HydrophobicContact CG2-CG 4.36Å; I913-L917 WeakPolarHBondContact O-CG 3.34Å; I913-L917 PolarHBondContact O-N 3.33Å; L917-V921 HydrophobicContact CD2-CG1 4.06Å; L917-I925 HydrophobicContact CD1-CD1 4.42Å; L917-I1001 HydrophobicContact CD2-CG2 4.32Å; L917-D1002 WeakPolarHBondContact CA-OD1 3.17Å; L917-D1002 VanDerWaalsContact CD2-OD1 3.27Å; L917-D1002 WeakPolarHBondContact CD2-OD1 3.2Å; L917-V1005 HydrophobicContact CD1-CG1 4.36Å; L917-V1005 HydrophobicContact CD2-CB 4.07Å; L917-V1005 HydrophobicContact CD2-CG1 4.16Å; L917-V1005 HydrophobicContact CD2-CG2 4.16Å |
| 918 | S | 81.6 | Confident | 76.9 | Confident | 30 Ų | 30 | 65.1 Ų | 65.1 | 21% | 0.21 | 31% | 0.309 | C | S | . | . | trans | -62.6 | 149.1 | 167.7 | 57.5 | 0 | 0 | 0 | 0 | 111 | D920 V921 Y922 D1002 | S918-D920 PolarHBondContact O-N 3.24Å; S918-V921 PolarHBondContact O-N 3.46Å; S918-V921 VanDerWaalsContact O-N 3.14Å; S918-V921 WeakPolarHBondContact OG-CB 3.43Å; S918-V921 WeakPolarHBondContact OG-CG2 3.31Å; S918-Y922 PolarHBondContact O-N 2.83Å; S918-D1002 WeakPolarHBondContact CB-OD2 3.49Å; S918-D1002 PolarHBondContact N-OD1 3.39Å; S918-D1002 PolarHBondContact OG-OD1 3.2Å; S918-D1002 PolarHBondContact OG-OD2 3.4Å | ||
| 919 | H | 78.6 | Confident | 78.6 | Confident | 123 Ų | 123 | 55.9 Ų | 55.9 | 57% | 0.569 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -56.8 | -38.3 | -174.1 | -175.6 | 76.8 | 0 | 0 | 0 | 112.7 | R923 | H919-R923 PolarHBondContact NE2-NH2 2.97Å; H919-R923 VanDerWaalsContact NE2-NH2 3.16Å; H919-R923 WeakPolarHBondContact O-CB 3.43Å; H919-R923 PolarHBondContact O-N 3.19Å; H919-R923 VanDerWaalsContact O-N 3.09Å |
| 920 | D | 73.9 | Confident | 79.5 | Confident | 65 Ų | 65 | 53.8 Ų | 53.8 | 35% | 0.348 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -70.4 | -38.7 | -179.7 | -63.2 | -33.2 | 0 | 0 | 0 | 112.2 | S918 R923 T924 | S918-D920 PolarHBondContact O-N 3.24Å; D920-R923 PolarHBondContact O-N 3.16Å; D920-T924 WeakPolarHBondContact O-CB 2.78Å; D920-T924 PolarHBondContact O-N 3.1Å; D920-T924 PolarHBondContact O-OG1 3.24Å |
| 921 | V | 80.7 | Confident | 79.4 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.6 | -45.9 | 177.3 | 174 | 0 | 0 | 0 | 0 | 110.5 | L917 S918 R923 T924 I925 L998 D1002 L1006 | L917-V921 HydrophobicContact CD2-CG1 4.06Å; S918-V921 PolarHBondContact O-N 3.46Å; S918-V921 VanDerWaalsContact O-N 3.14Å; S918-V921 WeakPolarHBondContact OG-CB 3.43Å; S918-V921 WeakPolarHBondContact OG-CG2 3.31Å; V921-R923 VanDerWaalsContact C-N 3.31Å; V921-R923 PolarHBondContact O-N 3.13Å; V921-T924 WeakPolarHBondContact O-CB 3.43Å; V921-T924 PolarHBondContact O-N 2.94Å; V921-T924 VanDerWaalsContact O-N 3.16Å; V921-I925 HydrophobicContact CG1-CD1 3.68Å; V921-I925 HydrophobicContact CG1-CG1 4.46Å; V921-I925 WeakPolarHBondContact O-CG1 3.12Å; V921-I925 PolarHBondContact O-N 3.38Å; V921-L998 HydrophobicContact CG2-CD2 3.37Å; V921-D1002 HydrophobicContact CG1-CB 4.3Å; V921-D1002 HydrophobicContact CG2-CB 3.99Å; V921-L1006 HydrophobicContact CG1-CD1 4.05Å; V921-L1006 HydrophobicContact CG1-CD2 4.14Å; V921-L1006 HydrophobicContact CG1-CG 3.88Å; V921-L1006 HydrophobicContact CG2-CD1 4.13Å |
| 922 | Y | 82.9 | Confident | 78.7 | Confident | 20 Ų | 20 | 54.9 Ų | 54.9 | 8% | 0.078 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -52.9 | -49.8 | 173.1 | 171 | -94.9 | 0 | 0 | 0 | 111.3 | I869 K872 V914 S918 T924 I925 E926 | I869-Y922 HydrophobicContact CG1-CE2 3.94Å; K872-Y922 HydrophobicContact CD-CE2 4.21Å; V914-Y922 HydrophobicContact CB-CD2 4.33Å; V914-Y922 HydrophobicContact CB-CE2 4.34Å; V914-Y922 HydrophobicContact CG1-CD2 3.54Å; V914-Y922 HydrophobicContact CG1-CE2 3.4Å; V914-Y922 HydrophobicContact CG2-CD2 4.11Å; V914-Y922 HydrophobicContact CG2-CE2 4.01Å; S918-Y922 PolarHBondContact O-N 2.83Å; Y922-T924 VanDerWaalsContact C-N 3.33Å; Y922-T924 PolarHBondContact O-N 3.4Å; Y922-I925 PolarHBondContact O-N 2.77Å; Y922-E926 WeakPolarHBondContact CE1-OE2 3.49Å; Y922-E926 WeakPolarHBondContact O-CB 3.5Å; Y922-E926 PolarHBondContact O-N 3.42Å |
| 923 | R | 79.9 | Confident | 76.6 | Confident | 125 Ų | 125 | 56.2 Ų | 56.2 | 47% | 0.472 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -62.7 | -39.4 | 179.8 | -169.1 | -167.5 | -68 | -143.8 | 0.3 | 112.2 | H919 D920 V921 I925 K927 | H919-R923 PolarHBondContact NE2-NH2 2.97Å; H919-R923 VanDerWaalsContact NE2-NH2 3.16Å; H919-R923 WeakPolarHBondContact O-CB 3.43Å; H919-R923 PolarHBondContact O-N 3.19Å; H919-R923 VanDerWaalsContact O-N 3.09Å; D920-R923 PolarHBondContact O-N 3.16Å; V921-R923 VanDerWaalsContact C-N 3.31Å; V921-R923 PolarHBondContact O-N 3.13Å; R923-I925 VanDerWaalsContact C-N 3.33Å; R923-K927 VanDerWaalsContact O-CG 3.3Å; R923-K927 WeakPolarHBondContact O-CG 3.45Å; R923-K927 PolarHBondContact O-N 2.91Å; R923-K927 VanDerWaalsContact O-N 3.13Å |
| 924 | T | 79.3 | Confident | 74.1 | Confident | 20 Ų | 20 | 61.5 Ų | 61.5 | 12% | 0.123 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 176.6 | -59.6 | 0 | 0 | 0 | 0 | 110.8 | D920 V921 Y922 K927 L928 I965 | D920-T924 WeakPolarHBondContact O-CB 2.78Å; D920-T924 PolarHBondContact O-N 3.1Å; D920-T924 PolarHBondContact O-OG1 3.24Å; V921-T924 WeakPolarHBondContact O-CB 3.43Å; V921-T924 PolarHBondContact O-N 2.94Å; V921-T924 VanDerWaalsContact O-N 3.16Å; Y922-T924 VanDerWaalsContact C-N 3.33Å; Y922-T924 PolarHBondContact O-N 3.4Å; T924-K927 PolarHBondContact O-N 3.18Å; T924-L928 HydrophobicContact CG2-CD1 4.44Å; T924-L928 WeakPolarHBondContact O-CG 3.34Å; T924-L928 PolarHBondContact O-N 2.87Å; T924-L928 VanDerWaalsContact O-N 3.07Å; T924-I965 HydrophobicContact CG2-CG2 4.13Å |
| 925 | I | 82.3 | Confident | 71.3 | Confident | 0 Ų | 0 | 68.3 Ų | 68.3 | 0% | 0 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -73.7 | -40.3 | -176.9 | -63.5 | 168.3 | 0 | 0 | 0 | 111.2 | M865 I869 L917 V921 Y922 R923 K927 L928 F929 V1005 L1006 T1009 | M865-I925 HydrophobicContact CE-CB 3.71Å; M865-I925 HydrophobicContact CE-CD1 3.3Å; M865-I925 HydrophobicContact CE-CG1 4.07Å; M865-I925 HydrophobicContact CE-CG2 3.33Å; M865-I925 HydrophobicContact SD-CD1 4.05Å; M865-I925 HydrophobicContact SD-CG2 3.73Å; I869-I925 HydrophobicContact CD1-CG2 3.96Å; L917-I925 HydrophobicContact CD1-CD1 4.42Å; V921-I925 HydrophobicContact CG1-CD1 3.68Å; V921-I925 HydrophobicContact CG1-CG1 4.46Å; V921-I925 WeakPolarHBondContact O-CG1 3.12Å; V921-I925 PolarHBondContact O-N 3.38Å; Y922-I925 PolarHBondContact O-N 2.77Å; R923-I925 VanDerWaalsContact C-N 3.33Å; I925-K927 VanDerWaalsContact C-N 3.26Å; I925-K927 PolarHBondContact O-N 2.85Å; I925-L928 WeakPolarHBondContact O-CB 3.41Å; I925-L928 PolarHBondContact O-N 3.28Å; I925-F929 HydrophobicContact CG2-CD2 3.49Å; I925-F929 VanDerWaalsContact CG2-CD2 3.49Å; I925-F929 HydrophobicContact CG2-CE2 3.34Å; I925-F929 VanDerWaalsContact O-CD2 3.25Å; I925-F929 WeakPolarHBondContact O-CD2 2.99Å; I925-F929 PolarHBondContact O-N 3.42Å; I925-V1005 HydrophobicContact CD1-CG1 3.78Å; I925-L1006 HydrophobicContact CD1-CD2 3.89Å; I925-L1006 HydrophobicContact CD1-CG 4.36Å; I925-L1006 HydrophobicContact CG1-CD2 3.86Å; I925-T1009 HydrophobicContact CG2-CG2 4.46Å |
| 926 | E | 82.1 | Confident | 68.6 | Low | 47 Ų | 47 | 65.9 Ų | 65.9 | 22% | 0.22 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -55 | -42.2 | 172.3 | -179.2 | 177.2 | -153.7 | 0 | 0 | 112.3 | I869 N873 Y922 F929 S930 | I869-E926 HydrophobicContact CG2-CB 4.42Å; I869-E926 HydrophobicContact CG2-CG 4.17Å; N873-E926 PolarHBondContact ND2-OE1 3.45Å; N873-E926 PolarHBondContact OD1-OE1 3.02Å; Y922-E926 WeakPolarHBondContact CE1-OE2 3.49Å; Y922-E926 WeakPolarHBondContact O-CB 3.5Å; Y922-E926 PolarHBondContact O-N 3.42Å; E926-F929 PolarHBondContact O-N 2.82Å; E926-S930 WeakPolarHBondContact O-CB 2.98Å; E926-S930 PolarHBondContact O-N 3.32Å; E926-S930 PolarHBondContact O-OG 3.38Å |
| 927 | K | 77.2 | Confident | 65.8 | Low | 82 Ų | 82 | 68.4 Ų | 68.4 | 36% | 0.357 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -63.8 | -44 | 173.5 | -73.2 | 173.4 | 178.3 | -175.6 | 0 | 112.3 | R923 T924 I925 F929 S930 Q931 K962 | R923-K927 VanDerWaalsContact O-CG 3.3Å; R923-K927 WeakPolarHBondContact O-CG 3.45Å; R923-K927 PolarHBondContact O-N 2.91Å; R923-K927 VanDerWaalsContact O-N 3.13Å; T924-K927 PolarHBondContact O-N 3.18Å; I925-K927 VanDerWaalsContact C-N 3.26Å; I925-K927 PolarHBondContact O-N 2.85Å; K927-F929 VanDerWaalsContact C-N 3.31Å; K927-F929 PolarHBondContact O-N 3.03Å; K927-S930 WeakPolarHBondContact O-CB 3.49Å; K927-S930 PolarHBondContact O-N 2.68Å; K927-S930 VanDerWaalsContact O-N 3.13Å; K927-Q931 WeakPolarHBondContact O-CG 3.17Å; K927-Q931 PolarHBondContact O-N 3.08Å; K927-K962 PolarHBondContact NZ-O 2.98Å |
| 928 | L | 76.3 | Confident | 62.9 | Low | 14 Ų | 14 | 76.9 Ų | 76.9 | 7% | 0.073 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -59.9 | -42.4 | 177.7 | -77.7 | 170.1 | 0 | 0 | 0 | 111.8 | T924 I925 Q931 H932 I965 T1009 F1013 | T924-L928 HydrophobicContact CG2-CD1 4.44Å; T924-L928 WeakPolarHBondContact O-CG 3.34Å; T924-L928 PolarHBondContact O-N 2.87Å; T924-L928 VanDerWaalsContact O-N 3.07Å; I925-L928 WeakPolarHBondContact O-CB 3.41Å; I925-L928 PolarHBondContact O-N 3.28Å; L928-Q931 PolarHBondContact O-N 3.18Å; L928-H932 PolarHBondContact O-N 2.84Å; L928-I965 HydrophobicContact CD1-CD1 4.15Å; L928-I965 HydrophobicContact CD1-CG1 4.12Å; L928-I965 HydrophobicContact CD1-CG2 4.24Å; L928-I965 HydrophobicContact CD2-CD1 3.69Å; L928-I965 HydrophobicContact CD2-CG1 3.81Å; L928-I965 HydrophobicContact CG-CD1 4.48Å; L928-I965 HydrophobicContact CG-CG1 4.32Å; L928-T1009 HydrophobicContact CD1-CG2 4.27Å; L928-F1013 HydrophobicContact CB-CE2 3.81Å; L928-F1013 HydrophobicContact CB-CZ 4.01Å; L928-F1013 HydrophobicContact CD1-CE2 4.25Å; L928-F1013 HydrophobicContact CD2-CE2 4.38Å; L928-F1013 HydrophobicContact CG-CE2 4.39Å |
| 929 | F | 78.3 | Confident | 60.2 | Low | 9 Ų | 9 | 84.1 Ų | 84.1 | 4% | 0.039 | 42% | 0.424 | C | S | . | . | H | α-helix | trans | -64.2 | -41.9 | 173.2 | -81.3 | -73.3 | 0 | 0 | 0 | 111.7 | F862 M865 S866 I869 I925 E926 K927 Q931 H932 I933 | F862-F929 HydrophobicContact CD2-CE1 4.33Å; F862-F929 AromaticContact CD2-CZ 3.81Å; F862-F929 HydrophobicContact CD2-CZ 3.81Å; F862-F929 AromaticContact CE1-CE1 3.76Å; F862-F929 HydrophobicContact CE1-CE1 3.76Å; F862-F929 HydrophobicContact CE1-CZ 4.17Å; F862-F929 AromaticContact CE2-CE1 3.55Å; F862-F929 HydrophobicContact CE2-CE1 3.55Å; F862-F929 HydrophobicContact CE2-CE2 4.34Å; F862-F929 AromaticContact CE2-CZ 3.36Å; F862-F929 HydrophobicContact CE2-CZ 3.36Å; F862-F929 HydrophobicContact CG-CZ 4.4Å; F862-F929 HydrophobicContact CZ-CD1 4.23Å; F862-F929 AromaticContact CZ-CE1 3.23Å; F862-F929 HydrophobicContact CZ-CE1 3.23Å; F862-F929 AromaticContact CZ-CZ 3.58Å; F862-F929 HydrophobicContact CZ-CZ 3.58Å; M865-F929 HydrophobicContact CG-CE2 4.25Å; M865-F929 HydrophobicContact SD-CE2 4.43Å; S866-F929 VanDerWaalsContact CB-CE1 3.48Å; S866-F929 WeakPolarHBondContact OG-CE1 3.38Å; I869-F929 HydrophobicContact CD1-CD2 3.6Å; I869-F929 HydrophobicContact CD1-CE2 3.76Å; I925-F929 HydrophobicContact CG2-CD2 3.49Å; I925-F929 VanDerWaalsContact CG2-CD2 3.49Å; I925-F929 HydrophobicContact CG2-CE2 3.34Å; I925-F929 VanDerWaalsContact O-CD2 3.25Å; I925-F929 WeakPolarHBondContact O-CD2 2.99Å; I925-F929 PolarHBondContact O-N 3.42Å; E926-F929 PolarHBondContact O-N 2.82Å; K927-F929 VanDerWaalsContact C-N 3.31Å; K927-F929 PolarHBondContact O-N 3.03Å; F929-Q931 VanDerWaalsContact C-N 3.25Å; F929-Q931 PolarHBondContact O-N 3.16Å; F929-H932 PolarHBondContact O-N 3.31Å; F929-H932 VanDerWaalsContact O-N 3.16Å; F929-I933 HydrophobicContact CB-CD1 4.23Å; F929-I933 WeakPolarHBondContact O-CD1 3.33Å; F929-I933 WeakPolarHBondContact O-CG1 3.24Å; F929-I933 PolarHBondContact O-N 3.24Å |
| 930 | S | 71.9 | Confident | 57.7 | Low | 82 Ų | 82 | 83.7 Ų | 83.7 | 57% | 0.573 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -62.7 | -29.9 | -179.9 | -59.3 | 0 | 0 | 0 | 0 | 113.8 | E926 K927 | E926-S930 WeakPolarHBondContact O-CB 2.98Å; E926-S930 PolarHBondContact O-N 3.32Å; E926-S930 PolarHBondContact O-OG 3.38Å; K927-S930 WeakPolarHBondContact O-CB 3.49Å; K927-S930 PolarHBondContact O-N 2.68Å; K927-S930 VanDerWaalsContact O-N 3.13Å |
| 931 | Q | 65.2 | Low | 55.6 | Low | 112 Ų | 112 | 86.7 Ų | 86.7 | 52% | 0.523 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -79.6 | -27.2 | 177.3 | -71.3 | -178 | -14 | 0 | 0 | 113.5 | K927 L928 F929 | K927-Q931 WeakPolarHBondContact O-CG 3.17Å; K927-Q931 PolarHBondContact O-N 3.08Å; L928-Q931 PolarHBondContact O-N 3.18Å; F929-Q931 VanDerWaalsContact C-N 3.25Å; F929-Q931 PolarHBondContact O-N 3.16Å |
| 932 | H | 59.2 | Low | 53 | Low | 104 Ų | 104 | 95 Ų | 95 | 48% | 0.481 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -105.4 | -14.1 | -173.4 | -81.6 | -73.1 | 0 | 0 | 0 | 114.7 | L928 F929 P934 F1013 | L928-H932 PolarHBondContact O-N 2.84Å; F929-H932 PolarHBondContact O-N 3.31Å; F929-H932 VanDerWaalsContact O-N 3.16Å; H932-P934 WeakPolarHBondContact O-CD 3.36Å; H932-F1013 HydrophobicContact CB-CE1 3.64Å; H932-F1013 HydrophobicContact CB-CZ 4.36Å; H932-F1013 AromaticContact CD2-CD1 3.57Å; H932-F1013 AromaticContact CD2-CE1 3.18Å; H932-F1013 WeakPolarHBondContact CD2-CE1 3.28Å; H932-F1013 AromaticContact CD2-CZ 3.8Å; H932-F1013 AromaticContact CG-CD1 3.91Å; H932-F1013 AromaticContact CG-CE1 3.4Å; H932-F1013 VanDerWaalsContact CG-CE1 3.4Å; H932-F1013 AromaticContact NE2-CD1 3.76Å; H932-F1013 AromaticContact NE2-CE1 3.88Å |
| 933 | I | 39 | Very low | 50.4 | Low | 79 Ų | 79 | 103 Ų | 103 | 41% | 0.405 | 53% | 0.53 | S | S | . | . | S | Bend | trans | -71.4 | 111.7 | 169.9 | -65.6 | 161.6 | 0 | 0 | 0 | 107.7 | L870 F929 N935 | L870-I933 HydrophobicContact CD2-CD1 4.43Å; F929-I933 HydrophobicContact CB-CD1 4.23Å; F929-I933 WeakPolarHBondContact O-CD1 3.33Å; F929-I933 WeakPolarHBondContact O-CG1 3.24Å; F929-I933 PolarHBondContact O-N 3.24Å; I933-N935 PolarHBondContact O-N 3.47Å; I933-N935 VanDerWaalsContact O-N 3.17Å |
| 934 | P | 31.5 | Very low | 47.8 | Very low | 111 Ų | 111 | 104.4 Ų | 104.4 | 72% | 0.721 | 54% | 0.542 | S | S | * | . | trans | -67.1 | 120.2 | 173.1 | -4.3 | 21.1 | 0 | 0 | 0 | 106.8 | H932 S936 | H932-P934 WeakPolarHBondContact O-CD 3.36Å; P934-S936 VanDerWaalsContact C-N 3.3Å; P934-S936 PolarHBondContact O-N 3.09Å | ||
| 935 | N | 27 | Very low | 45.3 | Very low | 152 Ų | 152 | 110.9 Ų | 110.9 | 81% | 0.813 | 58% | 0.576 | S | S | * | * | trans | -57.5 | 96.1 | 168 | -87.3 | -30.6 | 0 | 0 | 0 | 108.7 | I933 N937 | I933-N935 PolarHBondContact O-N 3.47Å; I933-N935 VanDerWaalsContact O-N 3.17Å; N935-N937 PolarHBondContact O-N 3.23Å | ||
| 936 | S | 25.9 | Very low | 42.6 | Very low | 97 Ų | 97 | 114.3 Ų | 114.3 | 68% | 0.678 | 61% | 0.61 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.1 | 9.3 | -178.3 | 58.1 | 0 | 0 | 0 | 0 | 114.1 | P934 | P934-S936 VanDerWaalsContact C-N 3.3Å; P934-S936 PolarHBondContact O-N 3.09Å |
| 937 | N | 25.6 | Very low | 40 | Very low | 148 Ų | 148 | 117.5 Ų | 117.5 | 79% | 0.791 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -103.7 | 17 | -176.3 | -79.8 | -2 | 0 | 0 | 0 | 115.1 | N935 | N935-N937 PolarHBondContact O-N 3.23Š|
| 938 | K | 23.9 | Very low | 37.5 | Very low | 194 Ų | 194 | 122.8 Ų | 122.8 | 84% | 0.843 | 66% | 0.664 | S | S | * | * | trans | -114.5 | 78.4 | 162.7 | -77 | -173.9 | 177.2 | -178.8 | 0 | 109.7 | ||||
| 939 | F | 24.4 | Very low | 35.3 | Very low | 183 Ų | 183 | 131.7 Ų | 131.7 | 80% | 0.803 | 70% | 0.702 | S | S | * | * | trans | -56.3 | 124.3 | 155.4 | -84.2 | -86.5 | 0 | 0 | 0 | 107.8 | V941 | F939-V941 PolarHBondContact O-N 3.12Å; F939-V941 VanDerWaalsContact O-N 3.11Å | ||
| 940 | P | 26.6 | Very low | 32.8 | Very low | 113 Ų | 113 | 139 Ų | 139 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | trans | -71.8 | 108.9 | 176.8 | 28.2 | -28.2 | 0 | 0 | 0 | 107.3 | E942 | P940-E942 PolarHBondContact O-N 2.85Š| ||
| 941 | V | 28.4 | Very low | 30.7 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 78% | 0.782 | 75% | 0.751 | S | S | * | * | trans | -65.4 | 117.5 | 163.1 | 174.3 | 0 | 0 | 0 | 0 | 106.5 | F939 E943 | F939-V941 PolarHBondContact O-N 3.12Å; F939-V941 VanDerWaalsContact O-N 3.11Å; V941-E943 PolarHBondContact O-N 3.35Å | ||
| 942 | E | 26.3 | Very low | 28.8 | Very low | 174 Ų | 174 | 143.3 Ų | 143.3 | 81% | 0.813 | 77% | 0.766 | S | S | * | * | trans | -56.1 | 103.7 | 174.5 | -66.5 | 178.8 | 148.2 | 0 | 0 | 110.1 | P940 | P940-E942 PolarHBondContact O-N 2.85Š| ||
| 943 | E | 29 | Very low | 27.2 | Very low | 188 Ų | 188 | 146.2 Ų | 146.2 | 88% | 0.879 | 78% | 0.778 | S | S | * | * | trans | -102.8 | 103.4 | 158.5 | -82.2 | -169.2 | 166.3 | 0 | 0 | 108.9 | V941 | V941-E943 PolarHBondContact O-N 3.35Š| ||
| 944 | Q | 25.4 | Very low | 26.6 | Very low | 155 Ų | 155 | 150 Ų | 150 | 72% | 0.724 | 80% | 0.798 | S | S | * | * | trans | -67.8 | 140.8 | 168.7 | -67.9 | -179.5 | -7.1 | 0 | 0 | 110.7 | ||||
| 945 | N | 25.9 | Very low | 26.3 | Very low | 156 Ų | 156 | 150.9 Ų | 150.9 | 83% | 0.834 | 80% | 0.802 | S | S | * | * | trans | 70.8 | 107.5 | 150.5 | -59.2 | -26.6 | 0 | 0 | 0 | 118.6 | ||||
| 946 | G | 26.7 | Very low | 26.3 | Very low | 71 Ų | 71 | 149.1 Ų | 149.1 | 73% | 0.732 | 80% | 0.797 | S | S | * | * | trans | 176.6 | 73.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 947 | S | 26 | Very low | 26.3 | Very low | 115 Ų | 115 | 151.3 Ų | 151.3 | 80% | 0.804 | 80% | 0.799 | S | S | * | * | trans | 32.1 | 119.7 | 150.8 | 62 | 0 | 0 | 0 | 0 | 120.5 | K949 | S947-K949 PolarHBondContact O-N 3.17Š| ||
| 948 | E | 26.1 | Very low | 26.2 | Very low | 193 Ų | 193 | 152.1 Ų | 152.1 | 90% | 0.902 | 80% | 0.798 | S | S | * | * | trans | -30.3 | 116.2 | 158.7 | -67.2 | 172.9 | 139 | 0 | 0 | 114.6 | ||||
| 949 | K | 28.6 | Very low | 26.5 | Very low | 200 Ų | 200 | 150 Ų | 150 | 87% | 0.87 | 80% | 0.796 | S | S | * | * | trans | -143.4 | 120.5 | 145.4 | -77.7 | -164.6 | 179.3 | 173.5 | 0 | 110.8 | S947 L951 | S947-K949 PolarHBondContact O-N 3.17Å; K949-L951 PolarHBondContact O-N 3.29Å | ||
| 950 | N | 27.3 | Very low | 27.2 | Very low | 164 Ų | 164 | 146.7 Ų | 146.7 | 88% | 0.877 | 79% | 0.787 | S | S | * | * | trans | -32.2 | 119.6 | 168.8 | -64.2 | -39.9 | 0 | 0 | 0 | 114.1 | ||||
| 951 | L | 26.5 | Very low | 27.7 | Very low | 147 Ų | 147 | 148.8 Ų | 148.8 | 77% | 0.77 | 79% | 0.787 | S | S | * | * | trans | -136.4 | 85.2 | 156.6 | -153.2 | 80.4 | 0 | 0 | 0 | 109.7 | K949 K953 | K949-L951 PolarHBondContact O-N 3.29Å; L951-K953 PolarHBondContact O-N 2.8Å; L951-K953 VanDerWaalsContact O-N 3.11Å | ||
| 952 | T | 25.1 | Very low | 28.6 | Very low | 136 Ų | 136 | 150.3 Ų | 150.3 | 83% | 0.834 | 78% | 0.783 | S | S | * | * | trans | -61.7 | 99.3 | 155.9 | 43.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 953 | K | 26.7 | Very low | 30 | Very low | 166 Ų | 166 | 144.3 Ų | 144.3 | 72% | 0.722 | 76% | 0.76 | S | S | * | * | trans | -136.6 | 110.1 | 156.1 | -85.3 | -170.9 | 176.6 | 178.1 | 0 | 108.1 | L951 T955 | L951-K953 PolarHBondContact O-N 2.8Å; L951-K953 VanDerWaalsContact O-N 3.11Å; K953-T955 PolarHBondContact O-N 3.44Å | ||
| 954 | D | 26.7 | Very low | 31.9 | Very low | 157 Ų | 157 | 139.2 Ų | 139.2 | 84% | 0.84 | 74% | 0.735 | S | S | * | * | trans | -42.7 | 102.9 | 172.4 | -60.3 | -51.8 | 0 | 0 | 0 | 110.5 | V956 | D954-V956 PolarHBondContact O-N 3.23Å; D954-V956 VanDerWaalsContact O-N 3.08Å | ||
| 955 | T | 25 | Very low | 34.3 | Very low | 131 Ų | 131 | 134.1 Ų | 134.1 | 80% | 0.804 | 71% | 0.712 | S | S | * | * | trans | -76.6 | 91.1 | 160 | 7.6 | 0 | 0 | 0 | 0 | 105.1 | K953 I957 | K953-T955 PolarHBondContact O-N 3.44Å; T955-I957 PolarHBondContact O-N 3.48Å | ||
| 956 | V | 25.9 | Very low | 36.7 | Very low | 115 Ų | 115 | 127.9 Ų | 127.9 | 70% | 0.697 | 68% | 0.677 | S | S | * | * | trans | -59.4 | 96 | 164.8 | 177.6 | 0 | 0 | 0 | 0 | 106.2 | D954 H958 | D954-V956 PolarHBondContact O-N 3.23Å; D954-V956 VanDerWaalsContact O-N 3.08Å; V956-H958 PolarHBondContact O-N 2.85Å | ||
| 957 | I | 25.5 | Very low | 39.1 | Very low | 142 Ų | 142 | 124.6 Ų | 124.6 | 73% | 0.728 | 64% | 0.643 | S | S | * | * | trans | -62.9 | 106.5 | 168.5 | -60.7 | 173.3 | 0 | 0 | 0 | 104.8 | T955 N959 | T955-I957 PolarHBondContact O-N 3.48Å; I957-N959 PolarHBondContact O-N 2.96Å | ||
| 958 | H | 25.2 | Very low | 41.9 | Very low | 166 Ų | 166 | 119.3 Ų | 119.3 | 77% | 0.769 | 61% | 0.606 | S | S | * | * | trans | -57 | 109.8 | 166.9 | -91.8 | -76.2 | 0 | 0 | 0 | 107.1 | V956 D960 | V956-H958 PolarHBondContact O-N 2.85Å; H958-D960 VanDerWaalsContact C-N 3.34Å; H958-D960 PolarHBondContact O-N 3.31Å | ||
| 959 | N | 30.4 | Very low | 44.3 | Very low | 148 Ų | 148 | 111.5 Ų | 111.5 | 79% | 0.791 | 57% | 0.571 | S | S | * | * | trans | -58.4 | 99.1 | 168.3 | -82.4 | -20.1 | 0 | 0 | 0 | 107.5 | I957 E961 | I957-N959 PolarHBondContact O-N 2.96Å; N959-E961 VanDerWaalsContact C-N 3.27Å; N959-E961 PolarHBondContact O-N 3.09Å | ||
| 960 | D | 37.4 | Very low | 47 | Very low | 115 Ų | 115 | 102.2 Ų | 102.2 | 62% | 0.615 | 53% | 0.531 | S | S | * | . | trans | -64.9 | 93.4 | 169.1 | -100.7 | -28.8 | 0 | 0 | 0 | 107.6 | H958 K962 S963 | H958-D960 VanDerWaalsContact C-N 3.34Å; H958-D960 PolarHBondContact O-N 3.31Å; D960-K962 PolarHBondContact O-N 3.21Å; D960-S963 PolarHBondContact O-N 2.89Å; D960-S963 PolarHBondContact O-OG 3.23Å | ||
| 961 | E | 38.2 | Very low | 49.8 | Very low | 157 Ų | 157 | 94.8 Ų | 94.8 | 73% | 0.734 | 49% | 0.491 | S | S | * | . | G | 310 helix | trans | -51.1 | -13.8 | 170.4 | -75.2 | -167.2 | 142.8 | 0 | 0 | 112.7 | N959 S963 | N959-E961 VanDerWaalsContact C-N 3.27Å; N959-E961 PolarHBondContact O-N 3.09Å; E961-S963 VanDerWaalsContact C-N 3.28Å; E961-S963 PolarHBondContact O-N 3.23Å |
| 962 | K | 46.2 | Very low | 52.3 | Low | 161 Ų | 161 | 90.7 Ų | 90.7 | 70% | 0.7 | 47% | 0.466 | S | S | * | . | G | 310 helix | trans | -77.5 | -0.2 | -178.5 | -65.9 | -179.1 | 179.6 | 175 | 0 | 115.3 | K927 D960 | K927-K962 PolarHBondContact NZ-O 2.98Å; D960-K962 PolarHBondContact O-N 3.21Å |
| 963 | S | 56.6 | Low | 55.1 | Low | 48 Ų | 48 | 86.4 Ų | 86.4 | 34% | 0.336 | 44% | 0.437 | S | S | . | . | G | 310 helix | trans | -100.4 | 4.2 | -173.6 | 55.9 | 0 | 0 | 0 | 0 | 116.1 | D960 E961 | D960-S963 PolarHBondContact O-N 2.89Å; D960-S963 PolarHBondContact O-OG 3.23Å; E961-S963 VanDerWaalsContact C-N 3.28Å; E961-S963 PolarHBondContact O-N 3.23Å |
| 964 | K | 68.8 | Low | 57.9 | Low | 80 Ų | 80 | 78.6 Ų | 78.6 | 35% | 0.348 | 40% | 0.404 | S | S | . | . | P | Polyproline II helix | trans | -74.1 | 145.4 | -175.4 | -65.1 | -179.9 | 179.5 | 175.3 | 0 | 112.9 | K986 D988 | K964-K986 WeakPolarHBondContact CA-O 3.43Å; K964-D988 HydrophobicContact CB-CB 3.6Å; K964-D988 HydrophobicContact CD-CB 4.27Å |
| 965 | I | 75.4 | Confident | 60.5 | Low | 49 Ų | 49 | 72.1 Ų | 72.1 | 25% | 0.251 | 37% | 0.369 | S | S | . | . | B | Isolated β-bridge | trans | -87.2 | 146.9 | -179.3 | -52.4 | 176.9 | 0 | 0 | 0 | 110.3 | T924 L928 K986 I987 D988 | T924-I965 HydrophobicContact CG2-CG2 4.13Å; L928-I965 HydrophobicContact CD1-CD1 4.15Å; L928-I965 HydrophobicContact CD1-CG1 4.12Å; L928-I965 HydrophobicContact CD1-CG2 4.24Å; L928-I965 HydrophobicContact CD2-CD1 3.69Å; L928-I965 HydrophobicContact CD2-CG1 3.81Å; L928-I965 HydrophobicContact CG-CD1 4.48Å; L928-I965 HydrophobicContact CG-CG1 4.32Å; I965-K986 PolarHBondContact N-O 3.23Å; I965-I987 CarbonylContact O-C 3.58Å; I965-I987 WeakPolarHBondContact O-CA 3.38Å; I965-D988 PolarHBondContact O-N 3Å |
| 966 | Y | 76.7 | Confident | 63.1 | Low | 24 Ų | 24 | 66 Ų | 66 | 9% | 0.094 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -64.9 | 134.9 | 174.6 | -158.2 | -80.7 | 0 | 0 | 0 | 112 | S995 L998 | Y966-S995 WeakPolarHBondContact CE2-OG 3.48Å; Y966-S995 VanDerWaalsContact CZ-OG 3.29Å; Y966-S995 WeakPolarHBondContact OH-CB 3.37Å; Y966-S995 PolarHBondContact OH-OG 3.32Å; Y966-L998 HydrophobicContact CD1-CD1 3.6Å; Y966-L998 HydrophobicContact CD1-CD2 3.92Å; Y966-L998 HydrophobicContact CD1-CG 4.08Å; Y966-L998 HydrophobicContact CE1-CD1 3.47Å; Y966-L998 VanDerWaalsContact CE1-CD1 3.47Å; Y966-L998 HydrophobicContact CE1-CD2 3.71Å; Y966-L998 HydrophobicContact CE1-CG 3.59Å |
| 967 | P | 77.8 | Confident | 66 | Low | 3 Ų | 3 | 60.6 Ų | 60.6 | 2% | 0.019 | 30% | 0.299 | C | S | . | . | P | Polyproline II helix | trans | -73.2 | 128.9 | -178.6 | 28.9 | -35.4 | 0 | 0 | 0 | 112.3 | W972 I987 D988 F989 | P967-W972 HydrophobicContact CB-CZ2 4.24Å; P967-W972 HydrophobicContact CG-CZ2 3.89Å; P967-I987 HydrophobicContact CB-CG2 3.6Å; P967-I987 HydrophobicContact CG-CG2 4.46Å; P967-D988 VanDerWaalsContact CD-O 3.28Å; P967-D988 WeakPolarHBondContact CD-O 3.33Å; P967-F989 HydrophobicContact CB-CD1 3.83Å; P967-F989 HydrophobicContact CB-CE1 3.82Å; P967-F989 HydrophobicContact CG-CD1 4.41Å |
| 968 | L | 82.9 | Confident | 68.8 | Low | 4 Ų | 4 | 56.6 Ų | 56.6 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | P | Polyproline II helix | trans | -80 | 159.5 | 169.3 | -72.7 | 164.1 | 0 | 0 | 0 | 111.3 | E970 D971 W972 E1003 L1006 R1007 | L968-E970 VanDerWaalsContact C-N 3.25Å; L968-E970 HydrophobicContact CB-CG 4.21Å; L968-E970 PolarHBondContact O-N 3.32Å; L968-D971 WeakPolarHBondContact CB-OD2 3.32Å; L968-D971 PolarHBondContact N-OD2 2.97Å; L968-D971 VanDerWaalsContact O-CB 3.31Å; L968-D971 WeakPolarHBondContact O-CB 3.45Å; L968-D971 PolarHBondContact O-N 3.08Å; L968-W972 VanDerWaalsContact O-CD1 3.24Å; L968-E1003 HydrophobicContact CD2-CB 4.02Å; L968-L1006 HydrophobicContact CD1-CB 4.48Å; L968-L1006 HydrophobicContact CD2-CB 3.87Å; L968-L1006 HydrophobicContact CD2-CD1 4.34Å; L968-L1006 HydrophobicContact CG-CB 4.37Å; L968-R1007 HydrophobicContact CD1-CB 4.38Å; L968-R1007 HydrophobicContact CD1-CG 3.49Å; L968-R1007 VanDerWaalsContact CD1-CG 3.49Å; L968-R1007 HydrophobicContact CD2-CG 4.04Å; L968-R1007 HydrophobicContact CG-CG 4.38Å |
| 969 | P | 78.2 | Confident | 71.7 | Confident | 28 Ų | 28 | 49.4 Ų | 49.4 | 18% | 0.182 | 25% | 0.251 | C | S | . | . | G | 310 helix | trans | -51.6 | -40.5 | 178.5 | -27.8 | 33.9 | 0 | 0 | 0 | 114.3 | D971 W972 E1003 | P969-D971 VanDerWaalsContact C-N 3.32Å; P969-D971 PolarHBondContact O-N 3.35Å; P969-W972 PolarHBondContact O-N 2.95Å; P969-E1003 VanDerWaalsContact CG-OE1 3.28Å; P969-E1003 WeakPolarHBondContact CG-OE1 3.41Å |
| 970 | E | 85.6 | Confident | 74.4 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.028 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -67.4 | -26.9 | 177.4 | 53.9 | -96.3 | -130.4 | 0 | 0 | 114.2 | S793 K796 L797 L968 W972 L973 R1007 | S793-E970 WeakPolarHBondContact CA-OE1 3.38Å; S793-E970 VanDerWaalsContact CB-OE1 3.31Å; S793-E970 WeakPolarHBondContact CB-OE1 3.36Å; S793-E970 PolarHBondContact OG-OE1 3.44Å; S793-E970 PolarHBondContact OG-OE2 3.22Å; K796-E970 HydrophobicContact CD-CG 4.36Å; L797-E970 HydrophobicContact CD1-CB 4.48Å; L968-E970 VanDerWaalsContact C-N 3.25Å; L968-E970 HydrophobicContact CB-CG 4.21Å; L968-E970 PolarHBondContact O-N 3.32Å; E970-W972 PolarHBondContact O-N 3.5Å; E970-L973 HydrophobicContact CB-CD1 4.25Å; E970-L973 WeakPolarHBondContact O-CB 3.48Å; E970-L973 PolarHBondContact O-N 3.13Å; E970-R1007 WeakPolarHBondContact OE1-CD 3.46Å; E970-R1007 IonicContact OE1-CZ 2.75Å; E970-R1007 IonicContact OE1-NE 3.79Å; E970-R1007 PolarHBondContact OE1-NE 2.99Å; E970-R1007 IonicContact OE1-NH2 3.95Å; E970-R1007 IonicContact OE2-CZ 2.87Å; E970-R1007 IonicContact OE2-NE 2.73Å; E970-R1007 PolarHBondContact OE2-NE 2.96Å; E970-R1007 IonicContact OE2-NH2 3.77Å; E970-R1007 PolarHBondContact OE2-NH2 2.9Å |
| 971 | D | 84.3 | Confident | 76.7 | Confident | 7 Ų | 7 | 39.6 Ų | 39.6 | 4% | 0.037 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -66.8 | -28 | -178.7 | -60.1 | -20.2 | 0 | 0 | 0 | 111.4 | K796 L968 P969 L973 I987 F989 | K796-D971 IonicContact NZ-OD1 2.69Å; K796-D971 PolarHBondContact NZ-OD1 2.71Å; K796-D971 IonicContact NZ-OD2 2.75Å; L968-D971 WeakPolarHBondContact CB-OD2 3.32Å; L968-D971 PolarHBondContact N-OD2 2.97Å; L968-D971 VanDerWaalsContact O-CB 3.31Å; L968-D971 WeakPolarHBondContact O-CB 3.45Å; L968-D971 PolarHBondContact O-N 3.08Å; P969-D971 VanDerWaalsContact C-N 3.32Å; P969-D971 PolarHBondContact O-N 3.35Å; D971-L973 VanDerWaalsContact C-N 3.28Å; D971-L973 PolarHBondContact O-N 3.31Å; D971-I987 HydrophobicContact CB-CD1 4.22Å; D971-F989 HydrophobicContact CB-CE1 3.96Å; D971-F989 HydrophobicContact CB-CZ 3.96Å |
| 972 | W | 80.3 | Confident | 78.8 | Confident | 62 Ų | 62 | 34.5 Ų | 34.5 | 24% | 0.235 | 18% | 0.18 | C | C | . | . | G | 310 helix | trans | -72.5 | -19.2 | 175.7 | -64.7 | 95.1 | 0 | 0 | 0 | 113.4 | Y211 P967 L968 P969 E970 L974 L975 F989 | Y211-W972 HydrophobicContact CD1-CH2 4.13Å; Y211-W972 AromaticContact CD1-CZ3 3.96Å; Y211-W972 HydrophobicContact CD1-CZ3 3.96Å; Y211-W972 AromaticContact CE1-CH2 3.83Å; Y211-W972 HydrophobicContact CE1-CH2 3.83Å; Y211-W972 AromaticContact CE1-CZ3 3.75Å; Y211-W972 HydrophobicContact CE1-CZ3 3.75Å; P967-W972 HydrophobicContact CB-CZ2 4.24Å; P967-W972 HydrophobicContact CG-CZ2 3.89Å; L968-W972 VanDerWaalsContact O-CD1 3.24Å; P969-W972 PolarHBondContact O-N 2.95Å; E970-W972 PolarHBondContact O-N 3.5Å; W972-L974 PolarHBondContact O-N 3.35Å; W972-L975 HydrophobicContact CE3-CD2 3.73Å; W972-L975 HydrophobicContact CZ3-CD2 3.81Å; W972-F989 AromaticContact CD2-CD1 3.92Å; W972-F989 HydrophobicContact CD2-CD1 3.92Å; W972-F989 HydrophobicContact CD2-CE1 4.12Å; W972-F989 AromaticContact CE2-CD1 3.87Å; W972-F989 AromaticContact CE3-CD1 3.88Å; W972-F989 HydrophobicContact CE3-CD1 3.88Å; W972-F989 HydrophobicContact CE3-CE1 4.33Å; W972-F989 HydrophobicContact CG-CE1 4.47Å; W972-F989 HydrophobicContact CH2-CB 4.05Å; W972-F989 AromaticContact CH2-CD1 3.8Å; W972-F989 HydrophobicContact CH2-CD1 3.8Å; W972-F989 HydrophobicContact CH2-CG 4.43Å; W972-F989 WeakPolarHBondContact CH2-O 3.28Å; W972-F989 AromaticContact CZ2-CD1 3.82Å; W972-F989 HydrophobicContact CZ2-CD1 3.82Å; W972-F989 HydrophobicContact CZ3-CB 4.38Å; W972-F989 AromaticContact CZ3-CD1 3.82Å; W972-F989 HydrophobicContact CZ3-CD1 3.82Å |
| 973 | L | 83.3 | Confident | 80.6 | Confident | 45 Ų | 45 | 28 Ų | 28 | 24% | 0.236 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.5 | -31.5 | -171.6 | -62.3 | 173.1 | 0 | 0 | 0 | 112.7 | I383 L387 E970 D971 | I383-L973 HydrophobicContact CG2-CD1 4.41Å; L387-L973 HydrophobicContact CD1-CB 4.2Å; L387-L973 HydrophobicContact CD1-CD1 3.97Å; L387-L973 HydrophobicContact CD2-CB 4.19Å; E970-L973 HydrophobicContact CB-CD1 4.25Å; E970-L973 WeakPolarHBondContact O-CB 3.48Å; E970-L973 PolarHBondContact O-N 3.13Å; D971-L973 VanDerWaalsContact C-N 3.28Å; D971-L973 PolarHBondContact O-N 3.31Å |
| 974 | L | 85.7 | Confident | 81.9 | Confident | 3 Ų | 3 | 26.5 Ų | 26.5 | 2% | 0.016 | 14% | 0.14 | C | C | . | . | S | Bend | trans | -116.5 | 9.8 | 178.4 | -64.7 | -176.9 | 0 | 0 | 0 | 113.4 | R242 L387 I390 L391 L797 W972 G976 L977 H984 | R242-L974 VanDerWaalsContact NH2-C 3.31Å; R242-L974 PolarHBondContact NH2-O 2.91Å; L387-L974 HydrophobicContact CD2-CD1 3.88Å; L387-L974 HydrophobicContact CD2-CD2 3.6Å; L387-L974 HydrophobicContact CD2-CG 3.57Å; I390-L974 HydrophobicContact CG2-CD1 4.22Å; L391-L974 HydrophobicContact CD1-CD2 4.41Å; L391-L974 HydrophobicContact CD2-CD2 3.85Å; L391-L974 HydrophobicContact CG-CD2 4.19Å; L797-L974 HydrophobicContact CD1-CD1 4.2Å; L797-L974 HydrophobicContact CD1-CG 4.45Å; L797-L974 HydrophobicContact CD2-CD1 4.37Å; L797-L974 HydrophobicContact CG-CD1 4.42Å; W972-L974 PolarHBondContact O-N 3.35Å; L974-G976 PolarHBondContact O-N 3.5Å; L974-L977 HydrophobicContact CB-CB 4.47Å; L974-L977 HydrophobicContact CB-CD2 4.45Å; L974-L977 HydrophobicContact CD1-CD2 4.31Å; L974-L977 HydrophobicContact CD2-CD2 4.45Å; L974-L977 WeakPolarHBondContact O-CB 3.28Å; L974-L977 PolarHBondContact O-N 2.98Å; L974-H984 PolarHBondContact O-CE1 2.93Å |
| 975 | L | 82 | Confident | 82.6 | Confident | 21 Ų | 21 | 29.6 Ų | 29.6 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -48.4 | 132.6 | 176.3 | 179.2 | 61.3 | 0 | 0 | 0 | 111.6 | P214 R242 W972 L977 F989 | P214-L975 HydrophobicContact CB-CD2 3.87Å; P214-L975 HydrophobicContact CB-CG 3.8Å; P214-L975 HydrophobicContact CG-CD2 4.38Å; P214-L975 HydrophobicContact CG-CG 4.36Å; R242-L975 PolarHBondContact NH2-O 3.38Å; W972-L975 HydrophobicContact CE3-CD2 3.73Å; W972-L975 HydrophobicContact CZ3-CD2 3.81Å; L975-L977 VanDerWaalsContact C-N 3.3Å; L975-L977 PolarHBondContact O-N 3.45Å; L975-F989 HydrophobicContact CD1-CD1 4.09Å; L975-F989 HydrophobicContact CD1-CD2 3.63Å; L975-F989 HydrophobicContact CD1-CE1 3.98Å; L975-F989 HydrophobicContact CD1-CE2 3.5Å; L975-F989 HydrophobicContact CD1-CG 3.92Å; L975-F989 HydrophobicContact CD1-CZ 3.69Å; L975-F989 HydrophobicContact CD2-CD1 3.95Å; L975-F989 HydrophobicContact CD2-CE1 4.26Å; L975-F989 HydrophobicContact CD2-CG 4.19Å; L975-F989 HydrophobicContact CG-CE1 4.48Å |
| 976 | G | 78.5 | Confident | 83 | Confident | 3 Ų | 3 | 34.1 Ų | 34.1 | 3% | 0.031 | 17% | 0.173 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 80.6 | 1.3 | -177.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | L974 P978 | L974-G976 PolarHBondContact O-N 3.5Å; G976-P978 WeakPolarHBondContact O-CD 3.43Å |
| 977 | L | 87.2 | Confident | 83.2 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.005 | 17% | 0.172 | C | C | . | . | trans | -68.2 | 124.2 | 170.1 | -174.3 | 65.3 | 0 | 0 | 0 | 110 | R242 L391 E394 L974 L975 S979 M980 N981 | R242-L977 VanDerWaalsContact NH1-CD1 3.33Å; L391-L977 HydrophobicContact CD2-CD1 4.2Å; E394-L977 HydrophobicContact CB-CD1 4.43Å; E394-L977 HydrophobicContact CG-CD1 4.19Å; E394-L977 HydrophobicContact CG-CD2 4.14Å; L974-L977 HydrophobicContact CB-CB 4.47Å; L974-L977 HydrophobicContact CB-CD2 4.45Å; L974-L977 HydrophobicContact CD1-CD2 4.31Å; L974-L977 HydrophobicContact CD2-CD2 4.45Å; L974-L977 WeakPolarHBondContact O-CB 3.28Å; L974-L977 PolarHBondContact O-N 2.98Å; L975-L977 VanDerWaalsContact C-N 3.3Å; L975-L977 PolarHBondContact O-N 3.45Å; L977-S979 WeakPolarHBondContact CD2-OG 3.13Å; L977-S979 WeakPolarHBondContact CG-OG 3.31Å; L977-S979 PolarHBondContact O-N 3.49Å; L977-M980 HydrophobicContact CB-CB 4.2Å; L977-M980 HydrophobicContact CB-CG 4.33Å; L977-M980 HydrophobicContact CD2-CG 3.91Å; L977-M980 HydrophobicContact CG-CG 4.45Å; L977-M980 WeakPolarHBondContact O-CB 3.43Å; L977-M980 PolarHBondContact O-N 3.01Å; L977-N981 PolarHBondContact O-OD1 2.99Å | ||
| 978 | P | 84.6 | Confident | 83.1 | Confident | 58 Ų | 58 | 35 Ų | 35 | 38% | 0.377 | 18% | 0.179 | S | C | . | . | G | 310 helix | trans | -57.3 | -40.6 | -173.6 | -29.1 | 36.1 | 0 | 0 | 0 | 115.6 | T245 G976 M980 N981 | T245-P978 VanDerWaalsContact O-CD 3.3Å; T245-P978 WeakPolarHBondContact O-CD 3.28Å; G976-P978 WeakPolarHBondContact O-CD 3.43Å; P978-M980 PolarHBondContact O-N 3.43Å; P978-N981 WeakPolarHBondContact O-CB 3.46Å; P978-N981 VanDerWaalsContact O-CG 3.24Å; P978-N981 PolarHBondContact O-N 3.24Å; P978-N981 PolarHBondContact O-ND2 3.45Å |
| 979 | S | 85.2 | Confident | 82.4 | Confident | 14 Ų | 14 | 36.1 Ų | 36.1 | 10% | 0.098 | 18% | 0.184 | C | C | . | . | G | 310 helix | trans | -61 | -29.5 | 178 | 54.3 | 0 | 0 | 0 | 0 | 112.4 | E394 S804 Q806 L977 | E394-S979 VanDerWaalsContact CD-OG 3.26Å; E394-S979 VanDerWaalsContact OE1-CB 3.26Å; E394-S979 WeakPolarHBondContact OE1-CB 3.23Å; E394-S979 PolarHBondContact OE1-OG 3.26Å; S804-S979 VanDerWaalsContact CB-O 3.23Å; S804-S979 WeakPolarHBondContact CB-O 3.44Å; Q806-S979 VanDerWaalsContact OE1-CB 3.27Å; L977-S979 WeakPolarHBondContact CD2-OG 3.13Å; L977-S979 WeakPolarHBondContact CG-OG 3.31Å; L977-S979 PolarHBondContact O-N 3.49Å |
| 980 | M | 87.2 | Confident | 81.5 | Confident | 4 Ų | 4 | 38 Ų | 38 | 2% | 0.02 | 19% | 0.19 | C | C | . | . | G | 310 helix | trans | -90.1 | -1 | -176.8 | -74.4 | -60.8 | -48.2 | 0 | 0 | 114.5 | D800 W801 L977 P978 C982 I983 H984 | D800-M980 HydrophobicContact CB-CE 3.84Å; W801-M980 VanDerWaalsContact CA-SD 3.56Å; W801-M980 HydrophobicContact CB-SD 4.16Å; L977-M980 HydrophobicContact CB-CB 4.2Å; L977-M980 HydrophobicContact CB-CG 4.33Å; L977-M980 HydrophobicContact CD2-CG 3.91Å; L977-M980 HydrophobicContact CG-CG 4.45Å; L977-M980 WeakPolarHBondContact O-CB 3.43Å; L977-M980 PolarHBondContact O-N 3.01Å; P978-M980 PolarHBondContact O-N 3.43Å; M980-C982 VanDerWaalsContact C-N 3.32Å; M980-C982 PolarHBondContact O-N 2.89Å; M980-I983 HydrophobicContact CE-CB 3.65Å; M980-I983 HydrophobicContact CE-CD1 3.5Å; M980-I983 VanDerWaalsContact CE-CD1 3.5Å; M980-I983 HydrophobicContact CE-CG1 4.15Å; M980-I983 HydrophobicContact CE-CG2 3.73Å; M980-I983 PolarHBondContact O-N 2.84Å; M980-I983 HydrophobicContact SD-CD1 4.11Å; M980-H984 WeakPolarHBondContact CB-CE1 3.12Å; M980-H984 PolarHBondContact O-N 3.37Å; M980-H984 PolarHBondContact O-ND1 3.37Å |
| 981 | N | 85.1 | Confident | 80 | Confident | 54 Ų | 54 | 41.4 Ų | 41.4 | 29% | 0.289 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -55.6 | -42.7 | -174.1 | -75.1 | -16.9 | 0 | 0 | 0 | 113.3 | L977 P978 I983 H984 E985 | L977-N981 PolarHBondContact O-OD1 2.99Å; P978-N981 WeakPolarHBondContact O-CB 3.46Å; P978-N981 VanDerWaalsContact O-CG 3.24Å; P978-N981 PolarHBondContact O-N 3.24Å; P978-N981 PolarHBondContact O-ND2 3.45Å; N981-I983 PolarHBondContact O-N 3.2Å; N981-I983 VanDerWaalsContact O-N 3.16Å; N981-H984 PolarHBondContact O-N 3.46Å; N981-E985 WeakPolarHBondContact O-CB 3.47Å; N981-E985 WeakPolarHBondContact O-CG 3.02Å; N981-E985 PolarHBondContact O-N 2.99Å |
| 982 | C | 83 | Confident | 78.4 | Confident | 50 Ų | 50 | 41.8 Ų | 41.8 | 34% | 0.338 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -63.2 | -23.5 | -179.2 | 59.1 | 0 | 0 | 0 | 0 | 113.8 | M980 | M980-C982 VanDerWaalsContact C-N 3.32Å; M980-C982 PolarHBondContact O-N 2.89Å |
| 983 | I | 84.8 | Confident | 76.8 | Confident | 23 Ų | 23 | 40.6 Ų | 40.6 | 12% | 0.118 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -89.7 | -44.2 | 176.7 | -68 | 163.6 | 0 | 0 | 0 | 109.4 | D800 M980 N981 E985 K986 I987 | D800-I983 HydrophobicContact CB-CD1 4.12Å; D800-I983 HydrophobicContact CB-CG2 4.41Å; D800-I983 WeakPolarHBondContact O-CD1 3.36Å; M980-I983 HydrophobicContact CE-CB 3.65Å; M980-I983 HydrophobicContact CE-CD1 3.5Å; M980-I983 VanDerWaalsContact CE-CD1 3.5Å; M980-I983 HydrophobicContact CE-CG1 4.15Å; M980-I983 HydrophobicContact CE-CG2 3.73Å; M980-I983 PolarHBondContact O-N 2.84Å; M980-I983 HydrophobicContact SD-CD1 4.11Å; N981-I983 PolarHBondContact O-N 3.2Å; N981-I983 VanDerWaalsContact O-N 3.16Å; I983-E985 VanDerWaalsContact C-N 3.26Å; I983-E985 PolarHBondContact O-N 2.85Å; I983-K986 WeakPolarHBondContact O-CB 3.49Å; I983-K986 PolarHBondContact O-N 3.48Å; I983-I987 HydrophobicContact CG2-CD1 4.33Å |
| 984 | H | 84.4 | Confident | 74.9 | Confident | 18 Ų | 18 | 42.1 Ų | 42.1 | 8% | 0.083 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -61.7 | -31.5 | 177.2 | -63.6 | 155 | 0 | 0 | 0 | 113.3 | L974 M980 N981 K986 I987 F989 | L974-H984 PolarHBondContact O-CE1 2.93Å; M980-H984 WeakPolarHBondContact CB-CE1 3.12Å; M980-H984 PolarHBondContact O-N 3.37Å; M980-H984 PolarHBondContact O-ND1 3.37Å; N981-H984 PolarHBondContact O-N 3.46Å; H984-K986 PolarHBondContact O-N 3.01Å; H984-I987 PolarHBondContact O-N 3.15Å; H984-F989 HydrophobicContact CB-CE2 3.92Å |
| 985 | E | 82.7 | Confident | 73 | Confident | 145 Ų | 145 | 43.3 Ų | 43.3 | 68% | 0.678 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | -25.7 | 175.1 | -80.4 | 176.1 | -178.7 | 0 | 0 | 113.2 | N981 I983 I987 | N981-E985 WeakPolarHBondContact O-CB 3.47Å; N981-E985 WeakPolarHBondContact O-CG 3.02Å; N981-E985 PolarHBondContact O-N 2.99Å; I983-E985 VanDerWaalsContact C-N 3.26Å; I983-E985 PolarHBondContact O-N 2.85Å; E985-I987 VanDerWaalsContact C-N 3.33Å |
| 986 | K | 83.3 | Confident | 71.2 | Confident | 144 Ų | 144 | 46.3 Ų | 46.3 | 63% | 0.626 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.8 | -5.8 | 177 | -57.7 | 179.5 | -175.9 | 179 | 0 | 113.1 | K964 I965 I983 H984 | K964-K986 WeakPolarHBondContact CA-O 3.43Å; I965-K986 PolarHBondContact N-O 3.23Å; I983-K986 WeakPolarHBondContact O-CB 3.49Å; I983-K986 PolarHBondContact O-N 3.48Å; H984-K986 PolarHBondContact O-N 3.01Å |
| 987 | I | 81.5 | Confident | 70.2 | Confident | 14 Ų | 14 | 49.2 Ų | 49.2 | 7% | 0.072 | 27% | 0.272 | C | S | . | . | B | Isolated β-bridge | trans | -109.8 | 138.3 | -175.9 | -59.4 | 171.6 | 0 | 0 | 0 | 109.8 | I965 P967 D971 I983 H984 E985 F989 | I965-I987 CarbonylContact O-C 3.58Å; I965-I987 WeakPolarHBondContact O-CA 3.38Å; P967-I987 HydrophobicContact CB-CG2 3.6Å; P967-I987 HydrophobicContact CG-CG2 4.46Å; D971-I987 HydrophobicContact CB-CD1 4.22Å; I983-I987 HydrophobicContact CG2-CD1 4.33Å; H984-I987 PolarHBondContact O-N 3.15Å; E985-I987 VanDerWaalsContact C-N 3.33Å; I987-F989 HydrophobicContact CB-CD2 4.15Å; I987-F989 HydrophobicContact CB-CE2 3.64Å; I987-F989 HydrophobicContact CB-CZ 4.09Å; I987-F989 HydrophobicContact CD1-CE2 4.41Å; I987-F989 HydrophobicContact CD1-CZ 4.23Å; I987-F989 HydrophobicContact CG2-CD1 4.42Å; I987-F989 HydrophobicContact CG2-CD2 3.98Å; I987-F989 HydrophobicContact CG2-CE1 4.11Å; I987-F989 HydrophobicContact CG2-CE2 3.62Å; I987-F989 HydrophobicContact CG2-CG 4.37Å; I987-F989 HydrophobicContact CG2-CZ 3.7Å; I987-F989 PolarHBondContact O-N 3.32Å |
| 988 | D | 74.5 | Confident | 69.4 | Low | 30 Ų | 30 | 50.2 Ų | 50.2 | 16% | 0.16 | 28% | 0.277 | C | S | . | . | trans | -92 | 74.5 | -179.8 | -161.7 | -14.4 | 0 | 0 | 0 | 112.2 | K964 I965 P967 H990 N991 G992 | K964-D988 HydrophobicContact CB-CB 3.6Å; K964-D988 HydrophobicContact CD-CB 4.27Å; I965-D988 PolarHBondContact O-N 3Å; P967-D988 VanDerWaalsContact CD-O 3.28Å; P967-D988 WeakPolarHBondContact CD-O 3.33Å; D988-H990 PolarHBondContact O-N 2.87Å; D988-H990 PolarHBondContact OD1-N 2.65Å; D988-N991 PolarHBondContact OD1-N 2.93Å; D988-N991 WeakPolarHBondContact OD2-CB 3.45Å; D988-N991 PolarHBondContact OD2-ND2 3.33Å; D988-G992 PolarHBondContact O-N 3.46Å | ||
| 989 | F | 68.2 | Low | 69.1 | Low | 28 Ų | 28 | 52.1 Ų | 52.1 | 12% | 0.123 | 28% | 0.284 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.7 | -18.4 | 175.1 | -67.8 | -77 | 0 | 0 | 0 | 113.5 | P967 D971 W972 L975 H984 I987 C993 | P967-F989 HydrophobicContact CB-CD1 3.83Å; P967-F989 HydrophobicContact CB-CE1 3.82Å; P967-F989 HydrophobicContact CG-CD1 4.41Å; D971-F989 HydrophobicContact CB-CE1 3.96Å; D971-F989 HydrophobicContact CB-CZ 3.96Å; W972-F989 AromaticContact CD2-CD1 3.92Å; W972-F989 HydrophobicContact CD2-CD1 3.92Å; W972-F989 HydrophobicContact CD2-CE1 4.12Å; W972-F989 AromaticContact CE2-CD1 3.87Å; W972-F989 AromaticContact CE3-CD1 3.88Å; W972-F989 HydrophobicContact CE3-CD1 3.88Å; W972-F989 HydrophobicContact CE3-CE1 4.33Å; W972-F989 HydrophobicContact CG-CE1 4.47Å; W972-F989 HydrophobicContact CH2-CB 4.05Å; W972-F989 AromaticContact CH2-CD1 3.8Å; W972-F989 HydrophobicContact CH2-CD1 3.8Å; W972-F989 HydrophobicContact CH2-CG 4.43Å; W972-F989 WeakPolarHBondContact CH2-O 3.28Å; W972-F989 AromaticContact CZ2-CD1 3.82Å; W972-F989 HydrophobicContact CZ2-CD1 3.82Å; W972-F989 HydrophobicContact CZ3-CB 4.38Å; W972-F989 AromaticContact CZ3-CD1 3.82Å; W972-F989 HydrophobicContact CZ3-CD1 3.82Å; L975-F989 HydrophobicContact CD1-CD1 4.09Å; L975-F989 HydrophobicContact CD1-CD2 3.63Å; L975-F989 HydrophobicContact CD1-CE1 3.98Å; L975-F989 HydrophobicContact CD1-CE2 3.5Å; L975-F989 HydrophobicContact CD1-CG 3.92Å; L975-F989 HydrophobicContact CD1-CZ 3.69Å; L975-F989 HydrophobicContact CD2-CD1 3.95Å; L975-F989 HydrophobicContact CD2-CE1 4.26Å; L975-F989 HydrophobicContact CD2-CG 4.19Å; L975-F989 HydrophobicContact CG-CE1 4.48Å; H984-F989 HydrophobicContact CB-CE2 3.92Å; I987-F989 HydrophobicContact CB-CD2 4.15Å; I987-F989 HydrophobicContact CB-CE2 3.64Å; I987-F989 HydrophobicContact CB-CZ 4.09Å; I987-F989 HydrophobicContact CD1-CE2 4.41Å; I987-F989 HydrophobicContact CD1-CZ 4.23Å; I987-F989 HydrophobicContact CG2-CD1 4.42Å; I987-F989 HydrophobicContact CG2-CD2 3.98Å; I987-F989 HydrophobicContact CG2-CE1 4.11Å; I987-F989 HydrophobicContact CG2-CE2 3.62Å; I987-F989 HydrophobicContact CG2-CG 4.37Å; I987-F989 HydrophobicContact CG2-CZ 3.7Å; I987-F989 PolarHBondContact O-N 3.32Å; F989-C993 PolarHBondContact O-SG 2.75Å |
| 990 | H | 60.1 | Low | 68.9 | Low | 68 Ų | 68 | 55.7 Ų | 55.7 | 32% | 0.315 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.3 | -48.3 | -175.3 | -164.3 | 49.5 | 0 | 0 | 0 | 111.7 | Q134 D988 G992 C993 | Q134-H990 VanDerWaalsContact CD-NE2 3.34Å; Q134-H990 PolarHBondContact NE2-NE2 2.77Å; Q134-H990 PolarHBondContact OE1-CE1 3.01Å; Q134-H990 PolarHBondContact OE1-NE2 2.99Å; Q134-H990 VanDerWaalsContact OE1-NE2 3.09Å; D988-H990 PolarHBondContact O-N 2.87Å; D988-H990 PolarHBondContact OD1-N 2.65Å; H990-G992 VanDerWaalsContact C-N 3.33Å; H990-C993 PolarHBondContact O-N 3.35Å |
| 991 | N | 55.1 | Low | 68.8 | Low | 77 Ų | 77 | 57.9 Ų | 57.9 | 41% | 0.412 | 31% | 0.31 | S | S | . | . | G | 310 helix | trans | -75.7 | -21.8 | 177.3 | -71.2 | -36.2 | 0 | 0 | 0 | 113.3 | N136 D988 C993 S995 | N136-N991 PolarHBondContact ND2-OD1 3.42Å; D988-N991 PolarHBondContact OD1-N 2.93Å; D988-N991 WeakPolarHBondContact OD2-CB 3.45Å; D988-N991 PolarHBondContact OD2-ND2 3.33Å; N991-C993 PolarHBondContact O-N 3.49Å; N991-C993 VanDerWaalsContact O-N 3.13Å; N991-S995 PolarHBondContact O-OG 2.94Å |
| 992 | G | 49.5 | Very low | 69 | Low | 16 Ų | 16 | 55.4 Ų | 55.4 | 17% | 0.165 | 30% | 0.297 | C | S | . | . | G | 310 helix | trans | -65.1 | -8.1 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.9 | D988 H990 | D988-G992 PolarHBondContact O-N 3.46Å; H990-G992 VanDerWaalsContact C-N 3.33Å |
| 993 | C | 47.8 | Very low | 69.2 | Low | 37 Ų | 37 | 54.7 Ų | 54.7 | 25% | 0.25 | 29% | 0.289 | C | S | . | . | G | 310 helix | trans | -83.4 | -19.9 | -177.2 | -67.4 | 0 | 0 | 0 | 0 | 114.7 | Y211 F989 H990 N991 | Y211-C993 WeakPolarHBondContact CD1-SG 3.46Å; F989-C993 PolarHBondContact O-SG 2.75Å; H990-C993 PolarHBondContact O-N 3.35Å; N991-C993 PolarHBondContact O-N 3.49Å; N991-C993 VanDerWaalsContact O-N 3.13Å |
| 994 | I | 42 | Very low | 69.5 | Low | 77 Ų | 77 | 53.6 Ų | 53.6 | 40% | 0.395 | 28% | 0.283 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -122.5 | -19.8 | -168.4 | -68.4 | 162.2 | 0 | 0 | 0 | 112.8 | N136 | N136-I994 HydrophobicContact CB-CD1 3.21Š|
| 995 | S | 45.7 | Very low | 69.8 | Low | 28 Ų | 28 | 52.8 Ų | 52.8 | 20% | 0.196 | 28% | 0.279 | C | S | . | . | S | Bend | trans | -77.7 | 152.1 | -174.5 | 27.7 | 0 | 0 | 0 | 0 | 111.4 | Y966 N991 | Y966-S995 WeakPolarHBondContact CE2-OG 3.48Å; Y966-S995 VanDerWaalsContact CZ-OG 3.29Å; Y966-S995 WeakPolarHBondContact OH-CB 3.37Å; Y966-S995 PolarHBondContact OH-OG 3.32Å; N991-S995 PolarHBondContact O-OG 2.94Å |
| 996 | P | 45.2 | Very low | 70.1 | Confident | 83 Ų | 83 | 46.1 Ų | 46.1 | 54% | 0.539 | 25% | 0.249 | S | C | . | . | trans | -58.5 | 145.6 | -168.8 | 24.5 | -33.1 | 0 | 0 | 0 | 110.6 | L998 | P996-L998 PolarHBondContact O-N 3.43Š| ||
| 997 | S | 57.1 | Low | 70.5 | Confident | 64 Ų | 64 | 40 Ų | 40 | 45% | 0.448 | 22% | 0.222 | S | C | . | . | trans | -38.8 | 110.6 | 172.5 | 48.7 | 0 | 0 | 0 | 0 | 109.5 | N999 | S997-N999 PolarHBondContact O-N 3.15Å; S997-N999 PolarHBondContact O-OD1 3.49Å | ||
| 998 | L | 70.2 | Confident | 71 | Confident | 22 Ų | 22 | 39.4 Ų | 39.4 | 12% | 0.115 | 22% | 0.219 | C | C | . | . | trans | -53.4 | 126.5 | 174.5 | -69.4 | 176.4 | 0 | 0 | 0 | 107.6 | V921 Y966 P996 D1002 E1003 L1006 | V921-L998 HydrophobicContact CG2-CD2 3.37Å; Y966-L998 HydrophobicContact CD1-CD1 3.6Å; Y966-L998 HydrophobicContact CD1-CD2 3.92Å; Y966-L998 HydrophobicContact CD1-CG 4.08Å; Y966-L998 HydrophobicContact CE1-CD1 3.47Å; Y966-L998 VanDerWaalsContact CE1-CD1 3.47Å; Y966-L998 HydrophobicContact CE1-CD2 3.71Å; Y966-L998 HydrophobicContact CE1-CG 3.59Å; P996-L998 PolarHBondContact O-N 3.43Å; L998-D1002 HydrophobicContact CB-CB 4.15Å; L998-D1002 HydrophobicContact CD2-CB 3.98Å; L998-E1003 HydrophobicContact CB-CG 3.9Å; L998-E1003 HydrophobicContact CD1-CG 4.19Å; L998-L1006 HydrophobicContact CD1-CD1 4.3Å; L998-L1006 HydrophobicContact CD2-CD1 4.45Å | ||
| 999 | N | 79.2 | Confident | 71.7 | Confident | 99 Ų | 99 | 38.1 Ų | 38.1 | 53% | 0.529 | 21% | 0.212 | S | C | . | . | trans | -71.8 | 161.2 | 174.7 | -70.4 | -14.3 | 0 | 0 | 0 | 109.6 | S997 I1001 D1002 E1003 | S997-N999 PolarHBondContact O-N 3.15Å; S997-N999 PolarHBondContact O-OD1 3.49Å; N999-I1001 PolarHBondContact O-N 3.44Å; N999-D1002 PolarHBondContact N-OD2 3.41Å; N999-D1002 WeakPolarHBondContact O-CB 3.47Å; N999-D1002 PolarHBondContact O-N 3.22Å; N999-E1003 PolarHBondContact O-N 3.23Å; N999-E1003 VanDerWaalsContact O-N 3.12Å | ||
| 1000 | E | 81.4 | Confident | 72.7 | Confident | 88 Ų | 88 | 38 Ų | 38 | 41% | 0.411 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -55.1 | -31.5 | 179.5 | -66 | -170.9 | 169.1 | 0 | 0 | 113.3 | K342 T1004 | K342-E1000 IonicContact NZ-OE1 2.69Å; K342-E1000 PolarHBondContact NZ-OE1 3.38Å; E1000-T1004 VanDerWaalsContact O-CB 3.29Å; E1000-T1004 WeakPolarHBondContact O-CB 3.5Å; E1000-T1004 PolarHBondContact O-N 2.91Å; E1000-T1004 PolarHBondContact O-OG1 3.34Å |
| 1001 | I | 85.1 | Confident | 74.2 | Confident | 50 Ų | 50 | 34.7 Ų | 34.7 | 26% | 0.256 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -66.3 | -47 | 175.3 | -61.1 | 174.8 | 0 | 0 | 0 | 110.4 | I783 H916 L917 N999 E1003 T1004 V1005 | I783-I1001 HydrophobicContact CG2-CG1 4.23Å; I783-I1001 HydrophobicContact CG2-CG2 4.24Å; H916-I1001 HydrophobicContact CB-CD1 4.36Å; L917-I1001 HydrophobicContact CD2-CG2 4.32Å; N999-I1001 PolarHBondContact O-N 3.44Å; I1001-E1003 PolarHBondContact O-N 3.01Å; I1001-T1004 PolarHBondContact O-N 3.35Å; I1001-V1005 HydrophobicContact CG2-CG2 4.2Å; I1001-V1005 WeakPolarHBondContact O-CB 3.49Å; I1001-V1005 VanDerWaalsContact O-CG2 3.3Å; I1001-V1005 WeakPolarHBondContact O-CG2 3.46Å; I1001-V1005 PolarHBondContact O-N 3.48Å |
| 1002 | D | 87.3 | Confident | 75.9 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.011 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -57.9 | -49.9 | 179.2 | -72.7 | -26.1 | 0 | 0 | 0 | 110.4 | L917 S918 V921 L998 N999 T1004 V1005 L1006 | L917-D1002 WeakPolarHBondContact CA-OD1 3.17Å; L917-D1002 VanDerWaalsContact CD2-OD1 3.27Å; L917-D1002 WeakPolarHBondContact CD2-OD1 3.2Å; S918-D1002 WeakPolarHBondContact CB-OD2 3.49Å; S918-D1002 PolarHBondContact N-OD1 3.39Å; S918-D1002 PolarHBondContact OG-OD1 3.2Å; S918-D1002 PolarHBondContact OG-OD2 3.4Å; V921-D1002 HydrophobicContact CG1-CB 4.3Å; V921-D1002 HydrophobicContact CG2-CB 3.99Å; L998-D1002 HydrophobicContact CB-CB 4.15Å; L998-D1002 HydrophobicContact CD2-CB 3.98Å; N999-D1002 PolarHBondContact N-OD2 3.41Å; N999-D1002 WeakPolarHBondContact O-CB 3.47Å; N999-D1002 PolarHBondContact O-N 3.22Å; D1002-T1004 VanDerWaalsContact C-N 3.33Å; D1002-T1004 PolarHBondContact O-N 3.49Å; D1002-V1005 PolarHBondContact O-N 3.43Å; D1002-L1006 WeakPolarHBondContact O-CB 3.37Å; D1002-L1006 WeakPolarHBondContact O-CG 3.31Å; D1002-L1006 PolarHBondContact O-N 3.37Å |
| 1003 | E | 88 | Confident | 77.7 | Confident | 36 Ų | 36 | 31.4 Ų | 31.4 | 17% | 0.168 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -62 | -42.1 | 179.4 | -57.6 | -173.3 | 174.8 | 0 | 0 | 112.1 | L968 P969 L998 N999 I1001 L1006 R1007 | L968-E1003 HydrophobicContact CD2-CB 4.02Å; P969-E1003 VanDerWaalsContact CG-OE1 3.28Å; P969-E1003 WeakPolarHBondContact CG-OE1 3.41Å; L998-E1003 HydrophobicContact CB-CG 3.9Å; L998-E1003 HydrophobicContact CD1-CG 4.19Å; N999-E1003 PolarHBondContact O-N 3.23Å; N999-E1003 VanDerWaalsContact O-N 3.12Å; I1001-E1003 PolarHBondContact O-N 3.01Å; E1003-L1006 PolarHBondContact O-N 3.33Å; E1003-R1007 WeakPolarHBondContact O-CB 3.41Å; E1003-R1007 VanDerWaalsContact O-CG 3.24Å; E1003-R1007 WeakPolarHBondContact O-CG 3.44Å; E1003-R1007 PolarHBondContact O-N 3.18Å; E1003-R1007 IonicContact OE2-CZ 3.97Å; E1003-R1007 VanDerWaalsContact OE2-CZ 3.27Å; E1003-R1007 IonicContact OE2-NH1 2.68Å; E1003-R1007 PolarHBondContact OE2-NH1 2.99Å; E1003-R1007 IonicContact OE2-NH2 2.66Å; E1003-R1007 PolarHBondContact OE2-NH2 3.42Å |
| 1004 | T | 90.4 | Very high | 79.5 | Confident | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -65.7 | -44.6 | -178.6 | -59.8 | 0 | 0 | 0 | 0 | 111.3 | I783 F786 S787 E1000 I1001 D1002 R1007 C1008 | I783-T1004 HydrophobicContact CG2-CG2 4.27Å; F786-T1004 HydrophobicContact CB-CG2 3.55Å; S787-T1004 WeakPolarHBondContact CA-OG1 3.39Å; S787-T1004 WeakPolarHBondContact CB-OG1 3.25Å; E1000-T1004 VanDerWaalsContact O-CB 3.29Å; E1000-T1004 WeakPolarHBondContact O-CB 3.5Å; E1000-T1004 PolarHBondContact O-N 2.91Å; E1000-T1004 PolarHBondContact O-OG1 3.34Å; I1001-T1004 PolarHBondContact O-N 3.35Å; D1002-T1004 VanDerWaalsContact C-N 3.33Å; D1002-T1004 PolarHBondContact O-N 3.49Å; T1004-R1007 PolarHBondContact O-N 2.95Å; T1004-C1008 WeakPolarHBondContact O-CB 3.49Å; T1004-C1008 PolarHBondContact O-N 3.49Å; T1004-C1008 PolarHBondContact O-SG 3.27Å |
| 1005 | V | 90.8 | Very high | 81.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.2 | -41.7 | 178.7 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | I783 M865 I913 L917 I925 I1001 D1002 C1008 T1009 | I783-V1005 HydrophobicContact CD1-CG2 4.38Å; M865-V1005 HydrophobicContact CE-CG1 3.81Å; M865-V1005 HydrophobicContact SD-CG1 3.35Å; M865-V1005 WeakPolarHBondContact SD-CG1 3.44Å; I913-V1005 HydrophobicContact CG2-CG2 3.93Å; L917-V1005 HydrophobicContact CD1-CG1 4.36Å; L917-V1005 HydrophobicContact CD2-CB 4.07Å; L917-V1005 HydrophobicContact CD2-CG1 4.16Å; L917-V1005 HydrophobicContact CD2-CG2 4.16Å; I925-V1005 HydrophobicContact CD1-CG1 3.78Å; I1001-V1005 HydrophobicContact CG2-CG2 4.2Å; I1001-V1005 WeakPolarHBondContact O-CB 3.49Å; I1001-V1005 VanDerWaalsContact O-CG2 3.3Å; I1001-V1005 WeakPolarHBondContact O-CG2 3.46Å; I1001-V1005 PolarHBondContact O-N 3.48Å; D1002-V1005 PolarHBondContact O-N 3.43Å; V1005-C1008 PolarHBondContact O-N 3.21Å; V1005-T1009 VanDerWaalsContact O-CB 3.3Å; V1005-T1009 WeakPolarHBondContact O-CB 3.33Å; V1005-T1009 PolarHBondContact O-N 2.94Å; V1005-T1009 PolarHBondContact O-OG1 3.29Å |
| 1006 | L | 89.3 | Confident | 83.7 | Confident | 6 Ų | 6 | 27.6 Ų | 27.6 | 3% | 0.031 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -62.4 | -43.9 | 174.3 | -78.2 | 170.9 | 0 | 0 | 0 | 112 | V921 I925 L968 L998 D1002 E1003 T1009 S1010 | V921-L1006 HydrophobicContact CG1-CD1 4.05Å; V921-L1006 HydrophobicContact CG1-CD2 4.14Å; V921-L1006 HydrophobicContact CG1-CG 3.88Å; V921-L1006 HydrophobicContact CG2-CD1 4.13Å; I925-L1006 HydrophobicContact CD1-CD2 3.89Å; I925-L1006 HydrophobicContact CD1-CG 4.36Å; I925-L1006 HydrophobicContact CG1-CD2 3.86Å; L968-L1006 HydrophobicContact CD1-CB 4.48Å; L968-L1006 HydrophobicContact CD2-CB 3.87Å; L968-L1006 HydrophobicContact CD2-CD1 4.34Å; L968-L1006 HydrophobicContact CG-CB 4.37Å; L998-L1006 HydrophobicContact CD1-CD1 4.3Å; L998-L1006 HydrophobicContact CD2-CD1 4.45Å; D1002-L1006 WeakPolarHBondContact O-CB 3.37Å; D1002-L1006 WeakPolarHBondContact O-CG 3.31Å; D1002-L1006 PolarHBondContact O-N 3.37Å; E1003-L1006 PolarHBondContact O-N 3.33Å; L1006-T1009 PolarHBondContact O-N 2.96Å; L1006-S1010 VanDerWaalsContact O-CB 3.31Å; L1006-S1010 WeakPolarHBondContact O-CB 3.01Å; L1006-S1010 PolarHBondContact O-N 2.72Å |
| 1007 | R | 91.7 | Very high | 85.6 | Confident | 16 Ų | 16 | 26.1 Ų | 26.1 | 6% | 0.06 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60 | -47.9 | 174.2 | -76.8 | 172.3 | -170.2 | 121.2 | 6.5 | 111.7 | F792 S793 L968 E970 E1003 T1004 S1010 L1011 | F792-R1007 HydrophobicContact CD1-CB 4.31Å; F792-R1007 HydrophobicContact CE1-CB 3.76Å; F792-R1007 HydrophobicContact CZ-CB 4.49Å; S793-R1007 PolarHBondContact OG-NE 2.89Å; L968-R1007 HydrophobicContact CD1-CB 4.38Å; L968-R1007 HydrophobicContact CD1-CG 3.49Å; L968-R1007 VanDerWaalsContact CD1-CG 3.49Å; L968-R1007 HydrophobicContact CD2-CG 4.04Å; L968-R1007 HydrophobicContact CG-CG 4.38Å; E970-R1007 WeakPolarHBondContact OE1-CD 3.46Å; E970-R1007 IonicContact OE1-CZ 2.75Å; E970-R1007 IonicContact OE1-NE 3.79Å; E970-R1007 PolarHBondContact OE1-NE 2.99Å; E970-R1007 IonicContact OE1-NH2 3.95Å; E970-R1007 IonicContact OE2-CZ 2.87Å; E970-R1007 IonicContact OE2-NE 2.73Å; E970-R1007 PolarHBondContact OE2-NE 2.96Å; E970-R1007 IonicContact OE2-NH2 3.77Å; E970-R1007 PolarHBondContact OE2-NH2 2.9Å; E1003-R1007 WeakPolarHBondContact O-CB 3.41Å; E1003-R1007 VanDerWaalsContact O-CG 3.24Å; E1003-R1007 WeakPolarHBondContact O-CG 3.44Å; E1003-R1007 PolarHBondContact O-N 3.18Å; E1003-R1007 IonicContact OE2-CZ 3.97Å; E1003-R1007 VanDerWaalsContact OE2-CZ 3.27Å; E1003-R1007 IonicContact OE2-NH1 2.68Å; E1003-R1007 PolarHBondContact OE2-NH1 2.99Å; E1003-R1007 IonicContact OE2-NH2 2.66Å; E1003-R1007 PolarHBondContact OE2-NH2 3.42Å; T1004-R1007 PolarHBondContact O-N 2.95Å; R1007-S1010 PolarHBondContact O-N 2.85Å; R1007-L1011 WeakPolarHBondContact O-CB 3.47Å; R1007-L1011 WeakPolarHBondContact O-CG 3.43Å; R1007-L1011 PolarHBondContact O-N 3.44Å |
| 1008 | C | 92.6 | Very high | 86.8 | Confident | 1 Ų | 1 | 24.2 Ų | 24.2 | 1% | 0.007 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.3 | -49.6 | 178.1 | -74.1 | 0 | 0 | 0 | 0 | 111.3 | I858 T1004 V1005 S1010 L1011 T1012 | I858-C1008 HydrophobicContact CG2-CB 3.48Å; I858-C1008 VanDerWaalsContact CG2-CB 3.48Å; T1004-C1008 WeakPolarHBondContact O-CB 3.49Å; T1004-C1008 PolarHBondContact O-N 3.49Å; T1004-C1008 PolarHBondContact O-SG 3.27Å; V1005-C1008 PolarHBondContact O-N 3.21Å; C1008-S1010 PolarHBondContact O-N 3.33Å; C1008-L1011 PolarHBondContact O-N 3.15Å; C1008-T1012 PolarHBondContact O-N 2.89Å; C1008-T1012 PolarHBondContact O-OG1 3.49Å; C1008-T1012 VanDerWaalsContact O-OG1 3.07Å |
| 1009 | T | 90.1 | Very high | 87.6 | Confident | 3 Ų | 3 | 24 Ų | 24 | 2% | 0.018 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58.8 | -47.1 | 177 | -63.8 | 0 | 0 | 0 | 0 | 111.5 | F862 I925 L928 V1005 L1006 L1011 T1012 F1013 | F862-T1009 HydrophobicContact CE2-CG2 4.37Å; I925-T1009 HydrophobicContact CG2-CG2 4.46Å; L928-T1009 HydrophobicContact CD1-CG2 4.27Å; V1005-T1009 VanDerWaalsContact O-CB 3.3Å; V1005-T1009 WeakPolarHBondContact O-CB 3.33Å; V1005-T1009 PolarHBondContact O-N 2.94Å; V1005-T1009 PolarHBondContact O-OG1 3.29Å; L1006-T1009 PolarHBondContact O-N 2.96Å; T1009-L1011 PolarHBondContact O-N 2.92Å; T1009-T1012 PolarHBondContact O-N 3.19Å; T1009-F1013 HydrophobicContact CG2-CD2 3.72Å; T1009-F1013 HydrophobicContact CG2-CE2 3.35Å; T1009-F1013 HydrophobicContact CG2-CZ 4.46Å; T1009-F1013 WeakPolarHBondContact O-CD2 3.32Å; T1009-F1013 PolarHBondContact O-N 3.03Å |
| 1010 | S | 88 | Confident | 87.7 | Confident | 24 Ų | 24 | 24 Ų | 24 | 17% | 0.168 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -60.4 | -42.4 | 177.7 | -178.7 | 0 | 0 | 0 | 0 | 112.8 | K796 L1006 R1007 C1008 F1013 H1014 | K796-S1010 WeakPolarHBondContact CE-OG 3.48Å; L1006-S1010 VanDerWaalsContact O-CB 3.31Å; L1006-S1010 WeakPolarHBondContact O-CB 3.01Å; L1006-S1010 PolarHBondContact O-N 2.72Å; R1007-S1010 PolarHBondContact O-N 2.85Å; C1008-S1010 PolarHBondContact O-N 3.33Å; S1010-F1013 PolarHBondContact O-N 3.01Å; S1010-H1014 PolarHBondContact O-N 3.22Å; S1010-H1014 PolarHBondContact O-ND1 3.04Å |
| 1011 | L | 91.9 | Very high | 87.6 | Confident | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.5 | -41.2 | 176.9 | -73.8 | 172.5 | 0 | 0 | 0 | 112.1 | F792 V795 K796 L799 L855 I858 R1007 C1008 T1009 F1013 H1014 G1015 | F792-L1011 HydrophobicContact CD2-CD1 4.17Å; F792-L1011 HydrophobicContact CE1-CD1 4.39Å; F792-L1011 HydrophobicContact CE2-CD1 3.27Å; F792-L1011 HydrophobicContact CZ-CD1 3.41Å; F792-L1011 VanDerWaalsContact CZ-CD1 3.41Å; V795-L1011 HydrophobicContact CG1-CD2 4.45Å; K796-L1011 HydrophobicContact CB-CD2 4.15Å; K796-L1011 HydrophobicContact CB-CG 4.45Å; K796-L1011 HydrophobicContact CG-CD2 4.38Å; K796-L1011 HydrophobicContact CG-CG 4.49Å; L799-L1011 HydrophobicContact CD1-CD2 3.49Å; L799-L1011 VanDerWaalsContact CD1-CD2 3.49Å; L855-L1011 HydrophobicContact CD2-CB 4.02Å; L855-L1011 WeakPolarHBondContact CD2-O 3.22Å; I858-L1011 HydrophobicContact CD1-CB 4.21Å; I858-L1011 HydrophobicContact CD1-CD1 3.78Å; R1007-L1011 WeakPolarHBondContact O-CB 3.47Å; R1007-L1011 WeakPolarHBondContact O-CG 3.43Å; R1007-L1011 PolarHBondContact O-N 3.44Å; C1008-L1011 PolarHBondContact O-N 3.15Å; T1009-L1011 PolarHBondContact O-N 2.92Å; L1011-F1013 VanDerWaalsContact C-N 3.32Å; L1011-F1013 PolarHBondContact O-N 3.04Å; L1011-H1014 WeakPolarHBondContact O-CB 3.36Å; L1011-H1014 PolarHBondContact O-N 3.49Å; L1011-G1015 PolarHBondContact O-N 3.44Å |
| 1012 | T | 90.1 | Very high | 87.4 | Confident | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -60.1 | -42.8 | 174.8 | -58.6 | 0 | 0 | 0 | 0 | 111.2 | F862 C1008 T1009 H1014 G1015 C1016 F1041 | F862-T1012 HydrophobicContact CD1-CG2 3.87Å; F862-T1012 HydrophobicContact CD2-CG2 3.89Å; F862-T1012 HydrophobicContact CE1-CG2 3.94Å; F862-T1012 HydrophobicContact CE2-CG2 3.95Å; F862-T1012 HydrophobicContact CG-CG2 3.83Å; F862-T1012 HydrophobicContact CZ-CG2 3.97Å; C1008-T1012 PolarHBondContact O-N 2.89Å; C1008-T1012 PolarHBondContact O-OG1 3.49Å; C1008-T1012 VanDerWaalsContact O-OG1 3.07Å; T1009-T1012 PolarHBondContact O-N 3.19Å; T1012-H1014 PolarHBondContact O-N 3.01Å; T1012-G1015 WeakPolarHBondContact O-CA 3.36Å; T1012-G1015 PolarHBondContact O-N 3.4Å; T1012-G1015 VanDerWaalsContact O-N 3.11Å; T1012-C1016 PolarHBondContact O-N 2.96Å; T1012-C1016 PolarHBondContact O-SG 2.96Å; T1012-C1016 VanDerWaalsContact O-SG 3.4Å; T1012-F1041 HydrophobicContact CG2-CE2 4.19Å; T1012-F1041 HydrophobicContact CG2-CZ 4.07Å |
| 1013 | F | 86.9 | Confident | 86.8 | Confident | 24 Ų | 24 | 28 Ų | 28 | 11% | 0.105 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -64.6 | -36.8 | 175 | -76.7 | -58.1 | 0 | 0 | 0 | 113.4 | F862 L928 H932 T1009 S1010 L1011 G1015 C1016 S1017 | F862-F1013 HydrophobicContact CE2-CE2 4.45Å; F862-F1013 HydrophobicContact CE2-CZ 4.38Å; L928-F1013 HydrophobicContact CB-CE2 3.81Å; L928-F1013 HydrophobicContact CB-CZ 4.01Å; L928-F1013 HydrophobicContact CD1-CE2 4.25Å; L928-F1013 HydrophobicContact CD2-CE2 4.38Å; L928-F1013 HydrophobicContact CG-CE2 4.39Å; H932-F1013 HydrophobicContact CB-CE1 3.64Å; H932-F1013 HydrophobicContact CB-CZ 4.36Å; H932-F1013 AromaticContact CD2-CD1 3.57Å; H932-F1013 AromaticContact CD2-CE1 3.18Å; H932-F1013 WeakPolarHBondContact CD2-CE1 3.28Å; H932-F1013 AromaticContact CD2-CZ 3.8Å; H932-F1013 AromaticContact CG-CD1 3.91Å; H932-F1013 AromaticContact CG-CE1 3.4Å; H932-F1013 VanDerWaalsContact CG-CE1 3.4Å; H932-F1013 AromaticContact NE2-CD1 3.76Å; H932-F1013 AromaticContact NE2-CE1 3.88Å; T1009-F1013 HydrophobicContact CG2-CD2 3.72Å; T1009-F1013 HydrophobicContact CG2-CE2 3.35Å; T1009-F1013 HydrophobicContact CG2-CZ 4.46Å; T1009-F1013 WeakPolarHBondContact O-CD2 3.32Å; T1009-F1013 PolarHBondContact O-N 3.03Å; S1010-F1013 PolarHBondContact O-N 3.01Å; L1011-F1013 VanDerWaalsContact C-N 3.32Å; L1011-F1013 PolarHBondContact O-N 3.04Å; F1013-G1015 VanDerWaalsContact C-N 3.32Å; F1013-C1016 PolarHBondContact O-N 3.49Å; F1013-S1017 WeakPolarHBondContact O-CB 3.49Å; F1013-S1017 PolarHBondContact O-N 3.34Å; F1013-S1017 PolarHBondContact O-OG 3.41Å |
| 1014 | H | 86.8 | Confident | 85.9 | Confident | 31 Ų | 31 | 32.6 Ų | 32.6 | 14% | 0.144 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -60.8 | -43.3 | 169.5 | -84.2 | 85.7 | 0 | 0 | 0 | 111.4 | D800 S1010 L1011 T1012 C1016 S1017 L1018 | D800-H1014 IonicContact OD1-CE1 2.76Å; D800-H1014 PolarHBondContact OD1-CE1 3.35Å; D800-H1014 IonicContact OD1-NE2 2.72Å; D800-H1014 PolarHBondContact OD1-NE2 3.2Å; S1010-H1014 PolarHBondContact O-N 3.22Å; S1010-H1014 PolarHBondContact O-ND1 3.04Å; L1011-H1014 WeakPolarHBondContact O-CB 3.36Å; L1011-H1014 PolarHBondContact O-N 3.49Å; T1012-H1014 PolarHBondContact O-N 3.01Å; H1014-C1016 PolarHBondContact O-N 2.98Å; H1014-S1017 PolarHBondContact O-N 2.91Å; H1014-L1018 WeakPolarHBondContact O-CB 3.48Å; H1014-L1018 VanDerWaalsContact O-CG 3.31Å; H1014-L1018 WeakPolarHBondContact O-CG 3.39Å; H1014-L1018 PolarHBondContact O-N 3.19Å |
| 1015 | G | 89 | Confident | 85 | Confident | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -56.8 | -48 | 174 | 0 | 0 | 0 | 0 | 0 | 112.9 | L1011 T1012 F1013 S1017 L1018 A1019 | L1011-G1015 PolarHBondContact O-N 3.44Å; T1012-G1015 WeakPolarHBondContact O-CA 3.36Å; T1012-G1015 PolarHBondContact O-N 3.4Å; T1012-G1015 VanDerWaalsContact O-N 3.11Å; F1013-G1015 VanDerWaalsContact C-N 3.32Å; G1015-S1017 VanDerWaalsContact C-N 3.35Å; G1015-S1017 PolarHBondContact O-N 3.44Å; G1015-L1018 PolarHBondContact O-N 3.2Å; G1015-A1019 PolarHBondContact O-N 3.24Å |
| 1016 | C | 87.2 | Confident | 84.1 | Confident | 30 Ų | 30 | 35.7 Ų | 35.7 | 20% | 0.203 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -61.4 | -44.3 | 176.7 | -67.9 | 0 | 0 | 0 | 0 | 111.3 | T1012 F1013 H1014 A1019 S1020 | T1012-C1016 PolarHBondContact O-N 2.96Å; T1012-C1016 PolarHBondContact O-SG 2.96Å; T1012-C1016 VanDerWaalsContact O-SG 3.4Å; F1013-C1016 PolarHBondContact O-N 3.49Å; H1014-C1016 PolarHBondContact O-N 2.98Å; C1016-A1019 WeakPolarHBondContact O-CB 3.45Å; C1016-A1019 PolarHBondContact O-N 3.4Å; C1016-S1020 PolarHBondContact O-N 3.32Å; C1016-S1020 PolarHBondContact O-OG 3.13Å |
| 1017 | S | 83.6 | Confident | 83.4 | Confident | 52 Ų | 52 | 35.6 Ų | 35.6 | 36% | 0.364 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -62.1 | -45.3 | 177.3 | -58 | 0 | 0 | 0 | 0 | 111.4 | F1013 H1014 G1015 A1019 S1020 Y1021 | F1013-S1017 WeakPolarHBondContact O-CB 3.49Å; F1013-S1017 PolarHBondContact O-N 3.34Å; F1013-S1017 PolarHBondContact O-OG 3.41Å; H1014-S1017 PolarHBondContact O-N 2.91Å; G1015-S1017 VanDerWaalsContact C-N 3.35Å; G1015-S1017 PolarHBondContact O-N 3.44Å; S1017-A1019 VanDerWaalsContact C-N 3.29Å; S1017-A1019 PolarHBondContact O-N 2.92Å; S1017-S1020 PolarHBondContact O-N 3.01Å; S1017-S1020 VanDerWaalsContact O-N 3.15Å; S1017-Y1021 WeakPolarHBondContact O-CD2 3.34Å; S1017-Y1021 PolarHBondContact O-N 2.94Å |
| 1018 | L | 84 | Confident | 82.9 | Confident | 24 Ų | 24 | 40.6 Ų | 40.6 | 13% | 0.126 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.2 | -39.2 | 175 | -76.4 | 168.4 | 0 | 0 | 0 | 111.9 | L851 H1014 G1015 S1022 L1025 L1027 | L851-L1018 HydrophobicContact CD2-CD1 3.72Å; H1014-L1018 WeakPolarHBondContact O-CB 3.48Å; H1014-L1018 VanDerWaalsContact O-CG 3.31Å; H1014-L1018 WeakPolarHBondContact O-CG 3.39Å; H1014-L1018 PolarHBondContact O-N 3.19Å; G1015-L1018 PolarHBondContact O-N 3.2Å; L1018-S1022 VanDerWaalsContact O-CA 3.28Å; L1018-S1022 WeakPolarHBondContact O-CA 3.43Å; L1018-S1022 WeakPolarHBondContact O-CB 3.4Å; L1018-S1022 PolarHBondContact O-N 2.98Å; L1018-L1025 HydrophobicContact CD2-CD1 4.18Å; L1018-L1027 HydrophobicContact CD2-CD1 4.13Å |
| 1019 | A | 85.5 | Confident | 82.5 | Confident | 19 Ų | 19 | 40.7 Ų | 40.7 | 16% | 0.157 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -66.5 | -40.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112.1 | G1015 C1016 S1017 S1022 V1029 H1031 | G1015-A1019 PolarHBondContact O-N 3.24Å; C1016-A1019 WeakPolarHBondContact O-CB 3.45Å; C1016-A1019 PolarHBondContact O-N 3.4Å; S1017-A1019 VanDerWaalsContact C-N 3.29Å; S1017-A1019 PolarHBondContact O-N 2.92Å; A1019-S1022 WeakPolarHBondContact O-CB 3.3Å; A1019-S1022 PolarHBondContact O-N 3.1Å; A1019-V1029 HydrophobicContact CB-CG1 4.03Å; A1019-H1031 HydrophobicContact CB-CB 3.56Å |
| 1020 | S | 83 | Confident | 82.2 | Confident | 98 Ų | 98 | 43.8 Ų | 43.8 | 69% | 0.685 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -65.4 | -37.7 | 177 | -60.5 | 0 | 0 | 0 | 0 | 113 | C1016 S1017 | C1016-S1020 PolarHBondContact O-N 3.32Å; C1016-S1020 PolarHBondContact O-OG 3.13Å; S1017-S1020 PolarHBondContact O-N 3.01Å; S1017-S1020 VanDerWaalsContact O-N 3.15Å |
| 1021 | Y | 79.1 | Confident | 82 | Confident | 127 Ų | 127 | 46.1 Ų | 46.1 | 50% | 0.498 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.9 | 5.6 | 179 | -61.9 | -66.9 | 0 | 0 | 0 | 113.7 | S1017 A1023 Q1024 L1025 | S1017-Y1021 WeakPolarHBondContact O-CD2 3.34Å; S1017-Y1021 PolarHBondContact O-N 2.94Å; Y1021-A1023 VanDerWaalsContact C-N 3.29Å; Y1021-A1023 PolarHBondContact O-N 3.38Å; Y1021-Q1024 WeakPolarHBondContact O-CB 3.43Å; Y1021-Q1024 PolarHBondContact O-N 3.48Å; Y1021-L1025 WeakPolarHBondContact O-CG 3.29Å; Y1021-L1025 PolarHBondContact O-N 3.29Å |
| 1022 | S | 80.9 | Confident | 81.4 | Confident | 11 Ų | 11 | 49.8 Ų | 49.8 | 8% | 0.077 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -52.7 | -42.2 | -174.8 | 169.8 | 0 | 0 | 0 | 0 | 113.8 | L1018 A1019 L1025 S1026 L1027 Y1028 V1029 | L1018-S1022 VanDerWaalsContact O-CA 3.28Å; L1018-S1022 WeakPolarHBondContact O-CA 3.43Å; L1018-S1022 WeakPolarHBondContact O-CB 3.4Å; L1018-S1022 PolarHBondContact O-N 2.98Å; A1019-S1022 WeakPolarHBondContact O-CB 3.3Å; A1019-S1022 PolarHBondContact O-N 3.1Å; S1022-L1025 PolarHBondContact O-N 2.94Å; S1022-S1026 PolarHBondContact O-N 3.03Å; S1022-L1027 PolarHBondContact O-N 3.42Å; S1022-Y1028 WeakPolarHBondContact OG-CA 3.38Å; S1022-Y1028 PolarHBondContact OG-N 3.44Å; S1022-V1029 WeakPolarHBondContact CB-O 3.37Å; S1022-V1029 PolarHBondContact OG-N 2.98Å; S1022-V1029 PolarHBondContact OG-O 3.04Å |
| 1023 | A | 73.4 | Confident | 80.3 | Confident | 86 Ų | 86 | 54.6 Ų | 54.6 | 71% | 0.711 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -67.4 | -38.5 | 178.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y1021 | Y1021-A1023 VanDerWaalsContact C-N 3.29Å; Y1021-A1023 PolarHBondContact O-N 3.38Å |
| 1024 | Q | 69.6 | Low | 78.9 | Confident | 132 Ų | 132 | 57.2 Ų | 57.2 | 62% | 0.617 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -71.5 | -35.2 | 177.7 | -64.8 | 178.9 | -5.5 | 0 | 0 | 111.5 | S813 Y1021 | S813-Q1024 VanDerWaalsContact CB-O 3.29Å; S813-Q1024 WeakPolarHBondContact CB-O 3.44Å; Y1021-Q1024 WeakPolarHBondContact O-CB 3.43Å; Y1021-Q1024 PolarHBondContact O-N 3.48Å |
| 1025 | L | 70.8 | Confident | 77.3 | Confident | 50 Ų | 50 | 59.7 Ų | 59.7 | 26% | 0.262 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -88.2 | -2.9 | -178.8 | -60.5 | 170.6 | 0 | 0 | 0 | 113.2 | L812 L1018 Y1021 S1022 L1027 | L812-L1025 WeakPolarHBondContact CB-O 3.47Å; L812-L1025 HydrophobicContact CD1-CD2 3.9Å; L1018-L1025 HydrophobicContact CD2-CD1 4.18Å; Y1021-L1025 WeakPolarHBondContact O-CG 3.29Å; Y1021-L1025 PolarHBondContact O-N 3.29Å; S1022-L1025 PolarHBondContact O-N 2.94Å; L1025-L1027 HydrophobicContact CB-CB 4.37Å; L1025-L1027 HydrophobicContact CB-CD1 3.66Å; L1025-L1027 HydrophobicContact CB-CG 3.75Å; L1025-L1027 HydrophobicContact CD1-CD1 3.88Å; L1025-L1027 HydrophobicContact CG-CD1 4.4Å; L1025-L1027 PolarHBondContact O-N 3.29Å |
| 1026 | S | 72.1 | Confident | 75.4 | Confident | 15 Ų | 15 | 67.5 Ų | 67.5 | 11% | 0.105 | 40% | 0.4 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 53.8 | 33.3 | -172.5 | -59.7 | 0 | 0 | 0 | 0 | 113.9 | S1022 | S1022-S1026 PolarHBondContact O-N 3.03Š|
| 1027 | L | 75.1 | Confident | 73.7 | Confident | 4 Ų | 4 | 68.2 Ų | 68.2 | 2% | 0.021 | 41% | 0.413 | C | S | . | . | trans | -98 | -4.7 | -175.3 | -69.9 | 174 | 0 | 0 | 0 | 114.2 | L812 V844 E845 V848 L1018 S1022 L1025 V1029 I1045 | L812-L1027 HydrophobicContact CD2-CD2 4.27Å; V844-L1027 HydrophobicContact CG1-CD2 4.45Å; E845-L1027 HydrophobicContact CG-CD2 4.36Å; V848-L1027 HydrophobicContact CB-CD2 4.39Å; V848-L1027 HydrophobicContact CG2-CD1 4.03Å; V848-L1027 HydrophobicContact CG2-CD2 4.13Å; L1018-L1027 HydrophobicContact CD2-CD1 4.13Å; S1022-L1027 PolarHBondContact O-N 3.42Å; L1025-L1027 HydrophobicContact CB-CB 4.37Å; L1025-L1027 HydrophobicContact CB-CD1 3.66Å; L1025-L1027 HydrophobicContact CB-CG 3.75Å; L1025-L1027 HydrophobicContact CD1-CD1 3.88Å; L1025-L1027 HydrophobicContact CG-CD1 4.4Å; L1025-L1027 PolarHBondContact O-N 3.29Å; L1027-V1029 HydrophobicContact CB-CG2 4.08Å; L1027-V1029 WeakPolarHBondContact O-CG2 2.91Å; L1027-V1029 PolarHBondContact O-N 3.39Å; L1027-I1045 HydrophobicContact CD2-CD1 4.15Å; L1027-I1045 VanDerWaalsContact O-CD1 3.27Å; L1027-I1045 WeakPolarHBondContact O-CD1 3.47Å; L1027-I1045 WeakPolarHBondContact O-CG1 3.34Å | ||
| 1028 | Y | 81.6 | Confident | 72.6 | Confident | 122 Ų | 122 | 74.8 Ų | 74.8 | 48% | 0.478 | 44% | 0.437 | S | S | . | . | trans | 43.8 | 36.1 | 177.8 | -57.8 | -82.8 | 0 | 0 | 0 | 114.7 | S1022 C1043 D1044 | S1022-Y1028 WeakPolarHBondContact OG-CA 3.38Å; S1022-Y1028 PolarHBondContact OG-N 3.44Å; Y1028-C1043 WeakPolarHBondContact O-CA 3.33Å; Y1028-D1044 PolarHBondContact O-N 2.79Å | ||
| 1029 | V | 84.5 | Confident | 71.8 | Confident | 2 Ų | 2 | 79.1 Ų | 79.1 | 1% | 0.012 | 45% | 0.452 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 135 | 172 | -176.3 | 0 | 0 | 0 | 0 | 109.3 | V848 I852 A1019 S1022 L1027 K1042 C1043 | V848-V1029 HydrophobicContact CG1-CG2 3.72Å; I852-V1029 HydrophobicContact CD1-CG1 3.93Å; I852-V1029 HydrophobicContact CD1-CG2 4.4Å; A1019-V1029 HydrophobicContact CB-CG1 4.03Å; S1022-V1029 WeakPolarHBondContact CB-O 3.37Å; S1022-V1029 PolarHBondContact OG-N 2.98Å; S1022-V1029 PolarHBondContact OG-O 3.04Å; L1027-V1029 HydrophobicContact CB-CG2 4.08Å; L1027-V1029 WeakPolarHBondContact O-CG2 2.91Å; L1027-V1029 PolarHBondContact O-N 3.39Å; V1029-K1042 CarbonylContact C-O 3.53Å; V1029-K1042 VanDerWaalsContact CA-O 3.3Å; V1029-K1042 WeakPolarHBondContact CA-O 3.42Å; V1029-C1043 HydrophobicContact CG2-CB 4.38Å |
| 1030 | T | 83.3 | Confident | 71.5 | Confident | 69 Ų | 69 | 78.7 Ų | 78.7 | 42% | 0.423 | 45% | 0.448 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 146.9 | 171.6 | 56.8 | 0 | 0 | 0 | 0 | 110 | F1041 K1042 | T1030-F1041 WeakPolarHBondContact O-CA 3.23Å; T1030-K1042 PolarHBondContact N-O 3.45Å; T1030-K1042 PolarHBondContact O-N 3.4Å |
| 1031 | H | 83.7 | Confident | 71.6 | Confident | 73 Ų | 73 | 74.1 Ų | 74.1 | 34% | 0.338 | 42% | 0.415 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 121 | 175.4 | 173.2 | -104.4 | 0 | 0 | 0 | 108.6 | A1019 P1040 F1041 | A1019-H1031 HydrophobicContact CB-CB 3.56Å; H1031-P1040 CarbonylContact C-O 3.51Å; H1031-P1040 VanDerWaalsContact CA-O 3.31Å; H1031-P1040 WeakPolarHBondContact CA-O 3.24Å; H1031-F1041 HydrophobicContact CB-CD1 4.17Å; H1031-F1041 HydrophobicContact CB-CE1 4.08Å; H1031-F1041 AromaticContact CD2-CD1 3.76Å; H1031-F1041 AromaticContact CD2-CE1 3.29Å; H1031-F1041 WeakPolarHBondContact CD2-CE1 3.37Å; H1031-F1041 AromaticContact CD2-CZ 3.48Å; H1031-F1041 VanDerWaalsContact CD2-CZ 3.48Å; H1031-F1041 WeakPolarHBondContact CD2-CZ 3.37Å; H1031-F1041 AromaticContact CG-CE1 3.91Å; H1031-F1041 AromaticContact NE2-CZ 3.99Å |
| 1032 | N | 79.1 | Confident | 71.9 | Confident | 77 Ų | 77 | 73.7 Ų | 73.7 | 41% | 0.412 | 42% | 0.416 | S | S | . | . | trans | -104.9 | 109.8 | 174.8 | -172.9 | 9.6 | 0 | 0 | 0 | 110 | T1034 P1040 | N1032-T1034 VanDerWaalsContact C-N 3.33Å; N1032-T1034 VanDerWaalsContact CG-OG1 3.28Å; N1032-T1034 PolarHBondContact ND2-OG1 3.47Å; N1032-T1034 WeakPolarHBondContact OD1-CG2 3.31Å; N1032-T1034 PolarHBondContact OD1-N 3.4Å; N1032-T1034 PolarHBondContact OD1-OG1 3.09Å; N1032-P1040 PolarHBondContact N-O 3.41Å; N1032-P1040 WeakPolarHBondContact O-CB 3.48Å | ||
| 1033 | S | 67.3 | Low | 72 | Confident | 100 Ų | 100 | 74.8 Ų | 74.8 | 70% | 0.699 | 42% | 0.424 | S | S | * | . | trans | -79.5 | -10.7 | 177.1 | 53.6 | 0 | 0 | 0 | 0 | 113.8 | G1035 | S1033-G1035 PolarHBondContact O-N 2.85Š| ||
| 1034 | T | 56.8 | Low | 72.1 | Confident | 80 Ų | 80 | 76 Ų | 76 | 49% | 0.491 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -68.5 | 111.5 | 177.8 | 68.5 | 0 | 0 | 0 | 0 | 108.2 | N1032 N1036 | N1032-T1034 VanDerWaalsContact C-N 3.33Å; N1032-T1034 VanDerWaalsContact CG-OG1 3.28Å; N1032-T1034 PolarHBondContact ND2-OG1 3.47Å; N1032-T1034 WeakPolarHBondContact OD1-CG2 3.31Å; N1032-T1034 PolarHBondContact OD1-N 3.4Å; N1032-T1034 PolarHBondContact OD1-OG1 3.09Å; T1034-N1036 PolarHBondContact O-N 3.37Å |
| 1035 | G | 53.3 | Low | 72 | Confident | 82 Ų | 82 | 70.5 Ų | 70.5 | 85% | 0.845 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.6 | 14.7 | -174.4 | 0 | 0 | 0 | 0 | 0 | 117 | S1033 | S1033-G1035 PolarHBondContact O-N 2.85Š|
| 1036 | N | 48.8 | Very low | 71.3 | Confident | 164 Ų | 164 | 72.6 Ų | 72.6 | 88% | 0.877 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 6.3 | -179.1 | -73.7 | -5.8 | 0 | 0 | 0 | 113.9 | T1034 | T1034-N1036 PolarHBondContact O-N 3.37Š|
| 1037 | G | 51.7 | Low | 70.4 | Confident | 46 Ų | 46 | 75.6 Ų | 75.6 | 47% | 0.474 | 42% | 0.424 | S | S | . | . | S | Bend | trans | -139.2 | 135.2 | -179.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | R1039 | G1037-R1039 PolarHBondContact O-N 3.25Š|
| 1038 | H | 61.2 | Low | 68.9 | Low | 189 Ų | 189 | 78.9 Ų | 78.9 | 88% | 0.875 | 44% | 0.444 | S | S | * | . | S | Bend | trans | -62.6 | 3.7 | 175.3 | -64.3 | -64.6 | 0 | 0 | 0 | 115.3 | ||
| 1039 | R | 67.6 | Low | 66.9 | Low | 115 Ų | 115 | 80.5 Ų | 80.5 | 43% | 0.434 | 46% | 0.461 | S | S | . | . | trans | -145.6 | 83.7 | -173.2 | -59.9 | -173.5 | -166.9 | -166 | 8.5 | 110.5 | E503 G1037 F1041 | E503-R1039 IonicContact OE2-NH2 3.95Å; E503-R1039 PolarHBondContact OE2-NH2 2.88Å; G1037-R1039 PolarHBondContact O-N 3.25Å; R1039-F1041 VanDerWaalsContact C-N 3.32Å | ||
| 1040 | P | 78.3 | Confident | 64.5 | Low | 10 Ų | 10 | 82.7 Ų | 82.7 | 7% | 0.065 | 47% | 0.474 | C | S | . | . | trans | -67.9 | -33.7 | 178.9 | 27.6 | -36.1 | 0 | 0 | 0 | 112 | N856 N859 H1031 N1032 | N856-P1040 VanDerWaalsContact OD1-CD 3.29Å; N856-P1040 WeakPolarHBondContact OD1-CD 3.39Å; N859-P1040 HydrophobicContact CB-CG 4.04Å; N859-P1040 WeakPolarHBondContact ND2-CG 3.43Å; N859-P1040 WeakPolarHBondContact OD1-CG 3.42Å; H1031-P1040 CarbonylContact C-O 3.51Å; H1031-P1040 VanDerWaalsContact CA-O 3.31Å; H1031-P1040 WeakPolarHBondContact CA-O 3.24Å; N1032-P1040 PolarHBondContact N-O 3.41Å; N1032-P1040 WeakPolarHBondContact O-CB 3.48Å | ||
| 1041 | F | 86.4 | Confident | 62.2 | Low | 2 Ų | 2 | 84 Ų | 84 | 1% | 0.009 | 49% | 0.492 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 127.9 | 178.4 | -61 | -79.1 | 0 | 0 | 0 | 110.9 | I852 L855 N856 T1012 T1030 H1031 R1039 | I852-F1041 HydrophobicContact CD1-CB 4.36Å; I852-F1041 HydrophobicContact CG2-CB 3.87Å; I852-F1041 WeakPolarHBondContact CG2-O 3.18Å; L855-F1041 HydrophobicContact CB-CD2 3.66Å; L855-F1041 HydrophobicContact CB-CE2 4.05Å; L855-F1041 HydrophobicContact CB-CG 4.2Å; L855-F1041 HydrophobicContact CD1-CD1 4.32Å; L855-F1041 HydrophobicContact CD1-CD2 4.33Å; L855-F1041 HydrophobicContact CD1-CG 4.23Å; N856-F1041 PolarHBondContact ND2-O 3.18Å; N856-F1041 PolarHBondContact OD1-N 3.25Å; N856-F1041 VanDerWaalsContact OD1-N 3.11Å; N856-F1041 PolarHBondContact OD1-O 3.21Å; T1012-F1041 HydrophobicContact CG2-CE2 4.19Å; T1012-F1041 HydrophobicContact CG2-CZ 4.07Å; T1030-F1041 WeakPolarHBondContact O-CA 3.23Å; H1031-F1041 HydrophobicContact CB-CD1 4.17Å; H1031-F1041 HydrophobicContact CB-CE1 4.08Å; H1031-F1041 AromaticContact CD2-CD1 3.76Å; H1031-F1041 AromaticContact CD2-CE1 3.29Å; H1031-F1041 WeakPolarHBondContact CD2-CE1 3.37Å; H1031-F1041 AromaticContact CD2-CZ 3.48Å; H1031-F1041 VanDerWaalsContact CD2-CZ 3.48Å; H1031-F1041 WeakPolarHBondContact CD2-CZ 3.37Å; H1031-F1041 AromaticContact CG-CE1 3.91Å; H1031-F1041 AromaticContact NE2-CZ 3.99Å; R1039-F1041 VanDerWaalsContact C-N 3.32Å |
| 1042 | K | 84.6 | Confident | 59.7 | Low | 119 Ų | 119 | 84.1 Ų | 84.1 | 52% | 0.517 | 51% | 0.513 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.3 | 147.8 | 171 | -68.4 | 179.8 | -179.1 | 177 | 0 | 109.7 | V1029 T1030 | V1029-K1042 CarbonylContact C-O 3.53Å; V1029-K1042 VanDerWaalsContact CA-O 3.3Å; V1029-K1042 WeakPolarHBondContact CA-O 3.42Å; T1030-K1042 PolarHBondContact N-O 3.45Å; T1030-K1042 PolarHBondContact O-N 3.4Å |
| 1043 | C | 82 | Confident | 57.5 | Low | 34 Ų | 34 | 83.4 Ų | 83.4 | 23% | 0.23 | 51% | 0.509 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.2 | 118.7 | 176.8 | 166.1 | 0 | 0 | 0 | 0 | 108.1 | I852 Y1028 V1029 I1045 | I852-C1043 HydrophobicContact CB-CB 4.22Å; I852-C1043 HydrophobicContact CG1-CB 3.51Å; I852-C1043 HydrophobicContact CG2-CB 4.36Å; Y1028-C1043 WeakPolarHBondContact O-CA 3.33Å; V1029-C1043 HydrophobicContact CG2-CB 4.38Å; C1043-I1045 WeakPolarHBondContact SG-CD1 3.44Å; C1043-I1045 WeakPolarHBondContact SG-CG1 3.33Å |
| 1044 | D | 76.4 | Confident | 55.5 | Low | 111 Ų | 111 | 83.5 Ų | 83.5 | 59% | 0.594 | 51% | 0.509 | S | S | * | . | trans | -101.4 | 22.3 | -177.6 | -66 | -38.8 | 0 | 0 | 0 | 111.8 | Y1028 P1046 | Y1028-D1044 PolarHBondContact O-N 2.79Å; D1044-P1046 WeakPolarHBondContact O-CD 3.18Å | ||
| 1045 | I | 68.3 | Low | 54.3 | Low | 16 Ų | 16 | 83 Ų | 83 | 8% | 0.082 | 51% | 0.509 | C | S | . | . | trans | -60 | 113.8 | 175.8 | -61.2 | 169.6 | 0 | 0 | 0 | 107.9 | E845 V848 L1027 C1043 L1047 | E845-I1045 HydrophobicContact CB-CD1 4.38Å; E845-I1045 HydrophobicContact CB-CG2 4.27Å; E845-I1045 HydrophobicContact CG-CD1 4.4Å; E845-I1045 HydrophobicContact CG-CG2 4.27Å; V848-I1045 HydrophobicContact CG1-CD1 4.28Å; L1027-I1045 HydrophobicContact CD2-CD1 4.15Å; L1027-I1045 VanDerWaalsContact O-CD1 3.27Å; L1027-I1045 WeakPolarHBondContact O-CD1 3.47Å; L1027-I1045 WeakPolarHBondContact O-CG1 3.34Å; C1043-I1045 WeakPolarHBondContact SG-CD1 3.44Å; C1043-I1045 WeakPolarHBondContact SG-CG1 3.33Å; I1045-L1047 VanDerWaalsContact C-N 3.27Å; I1045-L1047 PolarHBondContact O-N 3.26Å | ||
| 1046 | P | 55.3 | Low | 53 | Low | 95 Ų | 95 | 82.7 Ų | 82.7 | 62% | 0.617 | 49% | 0.494 | S | S | * | . | trans | -70 | 96.6 | 164.8 | 28.4 | -25.4 | 0 | 0 | 0 | 104.9 | D1044 T1048 | D1044-P1046 WeakPolarHBondContact O-CD 3.18Å; P1046-T1048 PolarHBondContact O-N 3.17Å | ||
| 1047 | L | 52.5 | Low | 52 | Low | 77 Ų | 77 | 81.4 Ų | 81.4 | 40% | 0.403 | 49% | 0.487 | S | S | . | . | trans | -38.6 | 109 | 177.1 | -76 | 167.6 | 0 | 0 | 0 | 107.9 | R846 I1045 N1049 | R846-L1047 HydrophobicContact CG-CD2 4.32Å; I1045-L1047 VanDerWaalsContact C-N 3.27Å; I1045-L1047 PolarHBondContact O-N 3.26Å; L1047-N1049 PolarHBondContact O-N 2.97Å | ||
| 1048 | T | 44.2 | Very low | 50.8 | Low | 74 Ų | 74 | 86.8 Ų | 86.8 | 45% | 0.454 | 51% | 0.505 | S | S | . | . | trans | -54.9 | 116.5 | -174.4 | 36.4 | 0 | 0 | 0 | 0 | 106 | E845 P1046 V1050 | E845-T1048 PolarHBondContact OE2-OG1 3.08Å; P1046-T1048 PolarHBondContact O-N 3.17Å; T1048-V1050 WeakPolarHBondContact O-CG2 3.34Å; T1048-V1050 PolarHBondContact O-N 2.92Å | ||
| 1049 | N | 39 | Very low | 49.2 | Very low | 156 Ų | 156 | 80.8 Ų | 80.8 | 83% | 0.834 | 49% | 0.485 | S | S | * | . | trans | -67.8 | 86.4 | 174.3 | -97.5 | -15.7 | 0 | 0 | 0 | 105.9 | L1047 A1051 | L1047-N1049 PolarHBondContact O-N 2.97Å; N1049-A1051 PolarHBondContact O-N 3.45Å | ||
| 1050 | V | 35.6 | Very low | 47.2 | Very low | 48 Ų | 48 | 82.8 Ų | 82.8 | 29% | 0.291 | 50% | 0.504 | S | S | . | . | G | 310 helix | trans | -67.4 | 21.2 | 174.4 | -168.5 | 0 | 0 | 0 | 0 | 111.1 | A842 T1048 G1052 L1053 | A842-V1050 HydrophobicContact CB-CG2 4.23Å; T1048-V1050 WeakPolarHBondContact O-CG2 3.34Å; T1048-V1050 PolarHBondContact O-N 2.92Å; V1050-G1052 PolarHBondContact O-N 3.5Å; V1050-L1053 HydrophobicContact CG1-CB 4.02Å; V1050-L1053 HydrophobicContact CG1-CD1 4.08Å; V1050-L1053 PolarHBondContact O-N 3.06Å |
| 1051 | A | 34.7 | Very low | 44.8 | Very low | 96 Ų | 96 | 88.5 Ų | 88.5 | 79% | 0.793 | 52% | 0.524 | S | S | * | . | G | 310 helix | trans | -64.2 | -20 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | N1049 | N1049-A1051 PolarHBondContact O-N 3.45Š|
| 1052 | G | 31 | Very low | 41.9 | Very low | 75 Ų | 75 | 93 Ų | 93 | 77% | 0.773 | 55% | 0.554 | S | S | * | * | G | 310 helix | trans | -85.2 | -14.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | V1050 | V1050-G1052 PolarHBondContact O-N 3.5Š|
| 1053 | L | 32.2 | Very low | 39.1 | Very low | 62 Ų | 62 | 95.8 Ų | 95.8 | 33% | 0.325 | 57% | 0.568 | S | S | . | * | S | Bend | trans | -96.4 | 102.5 | 172.8 | -75 | 165.9 | 0 | 0 | 0 | 106.8 | I838 V1050 S1055 | I838-L1053 HydrophobicContact CG2-CD1 3.87Å; V1050-L1053 HydrophobicContact CG1-CB 4.02Å; V1050-L1053 HydrophobicContact CG1-CD1 4.08Å; V1050-L1053 PolarHBondContact O-N 3.06Å; L1053-S1055 PolarHBondContact O-N 3.4Å |
| 1054 | S | 25.8 | Very low | 36.3 | Very low | 102 Ų | 102 | 101.2 Ų | 101.2 | 71% | 0.713 | 59% | 0.594 | S | S | * | * | trans | -55.1 | 82.6 | 169.8 | 171.3 | 0 | 0 | 0 | 0 | 109.8 | R835 S1056 | R835-S1054 PolarHBondContact NH2-O 3Å; S1054-S1056 PolarHBondContact O-N 3.29Å | ||
| 1055 | S | 30.9 | Very low | 33.9 | Very low | 70 Ų | 70 | 101 Ų | 101 | 49% | 0.49 | 60% | 0.601 | S | S | . | * | trans | -72.6 | 107.2 | 154 | 54 | 0 | 0 | 0 | 0 | 105.4 | L1053 N1057 | L1053-S1055 PolarHBondContact O-N 3.4Å; S1055-N1057 PolarHBondContact O-N 3.19Å; S1055-N1057 VanDerWaalsContact O-N 3.11Å | ||
| 1056 | S | 27.2 | Very low | 31.9 | Very low | 76 Ų | 76 | 111.1 Ų | 111.1 | 53% | 0.531 | 64% | 0.638 | S | S | . | * | trans | -47.3 | 118.9 | 160.8 | 43.5 | 0 | 0 | 0 | 0 | 108.8 | S1054 | S1054-S1056 PolarHBondContact O-N 3.29Š| ||
| 1057 | N | 27.2 | Very low | 30.5 | Very low | 136 Ų | 136 | 117.4 Ų | 117.4 | 73% | 0.727 | 65% | 0.65 | S | S | * | * | S | Bend | trans | 67.1 | 112.8 | 161.5 | -59.1 | -27.6 | 0 | 0 | 0 | 118.4 | S1055 | S1055-N1057 PolarHBondContact O-N 3.19Å; S1055-N1057 VanDerWaalsContact O-N 3.11Å |
| 1058 | N | 27 | Very low | 29.2 | Very low | 160 Ų | 160 | 125.1 Ų | 125.1 | 86% | 0.856 | 67% | 0.673 | S | S | * | * | trans | 71.2 | 34.2 | 138.8 | -67.3 | -13.4 | 0 | 0 | 0 | 120.7 | ||||
| 1059 | S | 27.4 | Very low | 28.3 | Very low | 63 Ų | 63 | 132.9 Ų | 132.9 | 44% | 0.441 | 69% | 0.694 | S | S | . | * | trans | -101.8 | 34.2 | 155.5 | 74 | 0 | 0 | 0 | 0 | 112.6 | W1061 | S1059-W1061 PolarHBondContact O-N 3.09Å; S1059-W1061 VanDerWaalsContact O-N 3.09Å | ||
| 1060 | N | 25.3 | Very low | 27.8 | Very low | 156 Ų | 156 | 136.4 Ų | 136.4 | 83% | 0.834 | 70% | 0.696 | S | S | * | * | trans | -79.8 | 76.7 | 159.9 | -88.7 | -17 | 0 | 0 | 0 | 107.2 | P1062 | N1060-P1062 WeakPolarHBondContact O-CD 3.49Å; N1060-P1062 VanDerWaalsContact O-N 3.09Å | ||
| 1061 | W | 28.5 | Very low | 27.3 | Very low | 131 Ų | 131 | 137.4 Ų | 137.4 | 50% | 0.496 | 72% | 0.716 | S | S | . | * | trans | -59.9 | 110.6 | 161.2 | -69.8 | 102.9 | 0 | 0 | 0 | 106 | H330 S1059 H1063 | H330-W1061 HydrophobicContact CB-CH2 3.75Å; H330-W1061 HydrophobicContact CB-CZ3 4.22Å; H330-W1061 AromaticContact CD2-CZ3 3.84Å; H330-W1061 AromaticContact CE1-CZ3 3.4Å; H330-W1061 WeakPolarHBondContact CE1-CZ3 3.29Å; H330-W1061 AromaticContact CG-CH2 3.61Å; H330-W1061 AromaticContact CG-CZ3 3.56Å; H330-W1061 AromaticContact ND1-CH2 3.76Å; H330-W1061 AromaticContact ND1-CZ3 3.31Å; H330-W1061 VanDerWaalsContact ND1-CZ3 3.31Å; H330-W1061 WeakPolarHBondContact ND1-CZ3 3.44Å; H330-W1061 AromaticContact NE2-CZ3 3.78Å; S1059-W1061 PolarHBondContact O-N 3.09Å; S1059-W1061 VanDerWaalsContact O-N 3.09Å; W1061-H1063 PolarHBondContact O-N 3.38Å | ||
| 1062 | P | 25.1 | Very low | 26.9 | Very low | 97 Ų | 97 | 143.8 Ų | 143.8 | 63% | 0.63 | 72% | 0.72 | S | S | * | * | trans | -69.2 | 107 | 179.6 | 28.3 | -27.1 | 0 | 0 | 0 | 104.7 | N1060 L1064 | N1060-P1062 WeakPolarHBondContact O-CD 3.49Å; N1060-P1062 VanDerWaalsContact O-N 3.09Å; P1062-L1064 PolarHBondContact O-N 3.44Å | ||
| 1063 | H | 25 | Very low | 26.7 | Very low | 177 Ų | 177 | 150.7 Ų | 150.7 | 82% | 0.819 | 72% | 0.722 | S | S | * | * | trans | -50.4 | 96.7 | 146.9 | -75.3 | -72.7 | 0 | 0 | 0 | 104.7 | W1061 S1065 | W1061-H1063 PolarHBondContact O-N 3.38Å; H1063-S1065 PolarHBondContact O-N 2.84Å | ||
| 1064 | L | 24.7 | Very low | 26.2 | Very low | 148 Ų | 148 | 158 Ų | 158 | 78% | 0.775 | 75% | 0.748 | S | S | * | * | trans | -64.3 | 76.4 | 165.5 | -83.3 | 158.2 | 0 | 0 | 0 | 104.7 | P1062 R1066 | P1062-L1064 PolarHBondContact O-N 3.44Å; L1064-R1066 PolarHBondContact O-N 2.94Å | ||
| 1065 | S | 25.5 | Very low | 26.2 | Very low | 105 Ų | 105 | 160.3 Ų | 160.3 | 73% | 0.734 | 75% | 0.747 | S | S | * | * | trans | -54.9 | 89 | 151.8 | 45 | 0 | 0 | 0 | 0 | 103.9 | H1063 R1067 | H1063-S1065 PolarHBondContact O-N 2.84Å; S1065-R1067 PolarHBondContact O-N 3.23Å | ||
| 1066 | R | 26.2 | Very low | 25.9 | Very low | 230 Ų | 230 | 164.3 Ų | 164.3 | 87% | 0.868 | 76% | 0.755 | S | S | * | * | trans | -60.5 | 86.6 | 167.5 | -89.7 | -176.4 | 176.5 | -176.2 | 0.7 | 104.4 | L1064 R1068 | L1064-R1066 PolarHBondContact O-N 2.94Å; R1066-R1068 PolarHBondContact O-N 2.76Å | ||
| 1067 | R | 26.2 | Very low | 25.7 | Very low | 227 Ų | 227 | 170.1 Ų | 170.1 | 86% | 0.857 | 77% | 0.772 | S | S | * | * | trans | -43.6 | 116.5 | 152 | -99.4 | -174.9 | 175.6 | -175.2 | -0.2 | 104 | S1065 R1069 | S1065-R1067 PolarHBondContact O-N 3.23Å; R1067-R1069 PolarHBondContact O-N 3.02Å | ||
| 1068 | R | 24.5 | Very low | 25.5 | Very low | 238 Ų | 238 | 173 Ų | 173 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | -47.9 | 85.3 | 171.7 | -71 | 178.3 | 175.2 | 178 | -3.4 | 107.8 | R1066 R1070 | R1066-R1068 PolarHBondContact O-N 2.76Å; R1068-R1070 PolarHBondContact O-N 3.14Å | ||
| 1069 | R | 25.3 | Very low | 25.4 | Very low | 237 Ų | 237 | 170.5 Ų | 170.5 | 89% | 0.894 | 77% | 0.766 | S | S | * | * | trans | -72 | 86.5 | 159.5 | -78.3 | -165.7 | 176.3 | -169.6 | 0.7 | 102.5 | R1067 G1071 | R1067-R1069 PolarHBondContact O-N 3.02Å; R1069-G1071 PolarHBondContact O-N 3.48Å | ||
| 1070 | R | 27.7 | Very low | 25.1 | Very low | 230 Ų | 230 | 171.2 Ų | 171.2 | 87% | 0.868 | 78% | 0.783 | S | S | * | * | trans | -37.2 | 112.9 | 155.2 | -84.5 | -176.2 | 171.5 | 176.7 | -2 | 104.5 | R1068 R1072 | R1068-R1070 PolarHBondContact O-N 3.14Å; R1070-R1072 VanDerWaalsContact C-N 3.35Å; R1070-R1072 PolarHBondContact O-N 3.31Å | ||
| 1071 | G | 25.3 | Very low | 25.2 | Very low | 70 Ų | 70 | 174.6 Ų | 174.6 | 72% | 0.722 | 79% | 0.786 | S | S | * | * | trans | -51.4 | 106.3 | -177.6 | 0 | 0 | 0 | 0 | 0 | 107 | R1069 R1073 | R1069-G1071 PolarHBondContact O-N 3.48Å; G1071-R1073 PolarHBondContact O-N 3.1Å | ||
| 1072 | R | 26 | Very low | 25.1 | Very low | 229 Ų | 229 | 171.4 Ų | 171.4 | 86% | 0.864 | 79% | 0.794 | S | S | * | * | trans | -61.7 | 100 | 156.6 | -80.8 | -167.4 | -177.3 | -154.2 | 1.6 | 102.5 | R1070 Y1074 | R1070-R1072 VanDerWaalsContact C-N 3.35Å; R1070-R1072 PolarHBondContact O-N 3.31Å; R1072-Y1074 VanDerWaalsContact C-N 3.27Å; R1072-Y1074 PolarHBondContact O-N 2.78Å | ||
| 1073 | R | 26.8 | Very low | 25 | Very low | 220 Ų | 220 | 173.3 Ų | 173.3 | 83% | 0.83 | 80% | 0.804 | S | S | * | * | trans | -43.7 | 103.6 | 162.5 | -87.5 | -179.9 | -179.9 | 164.6 | 0.1 | 105 | G1071 Q1075 | G1071-R1073 PolarHBondContact O-N 3.1Å; R1073-Q1075 PolarHBondContact O-N 3.21Å | ||
| 1074 | Y | 23.3 | Very low | 24.9 | Very low | 217 Ų | 217 | 170.8 Ų | 170.8 | 85% | 0.851 | 81% | 0.805 | S | S | * | * | trans | -69.7 | 78.7 | 160.9 | -91.6 | -87 | 0 | 0 | 0 | 105 | R1072 K1076 | R1072-Y1074 VanDerWaalsContact C-N 3.27Å; R1072-Y1074 PolarHBondContact O-N 2.78Å; Y1074-K1076 PolarHBondContact O-N 3.36Å | ||
| 1075 | Q | 24.7 | Very low | 24.9 | Very low | 150 Ų | 150 | 170.3 Ų | 170.3 | 70% | 0.701 | 80% | 0.803 | S | S | * | * | trans | -69.8 | 82.4 | 163.8 | -137.2 | 166.7 | -9.6 | 0 | 0 | 104.1 | R1073 F1077 | R1073-Q1075 PolarHBondContact O-N 3.21Å; Q1075-F1077 VanDerWaalsContact C-N 3.29Å; Q1075-F1077 PolarHBondContact O-N 3.01Å | ||
| 1076 | K | 25.4 | Very low | 24.8 | Very low | 153 Ų | 153 | 176.5 Ų | 176.5 | 67% | 0.665 | 81% | 0.81 | S | S | * | * | trans | -60.8 | 101.9 | 165.9 | -91.6 | -178.9 | 173.4 | 178.7 | 0 | 105.4 | Y1074 Y1078 | Y1074-K1076 PolarHBondContact O-N 3.36Å; K1076-Y1078 VanDerWaalsContact C-N 3.34Å; K1076-Y1078 HydrophobicContact CB-CE2 4.26Å; K1076-Y1078 PolarHBondContact O-N 3.3Å | ||
| 1077 | F | 22.5 | Very low | 24.7 | Very low | 199 Ų | 199 | 176.6 Ų | 176.6 | 87% | 0.873 | 81% | 0.812 | S | S | * | * | trans | -51.9 | 100.4 | 162.8 | -83.1 | -96.9 | 0 | 0 | 0 | 107.7 | Q1075 | Q1075-F1077 VanDerWaalsContact C-N 3.29Å; Q1075-F1077 PolarHBondContact O-N 3.01Å | ||
| 1078 | Y | 22.9 | Very low | 24.5 | Very low | 195 Ų | 195 | 170.8 Ų | 170.8 | 77% | 0.765 | 81% | 0.806 | S | S | * | * | P | Polyproline II helix | trans | -82.3 | 119.4 | 156.4 | -77.4 | -83.7 | 0 | 0 | 0 | 106 | K1076 G1080 | K1076-Y1078 VanDerWaalsContact C-N 3.34Å; K1076-Y1078 HydrophobicContact CB-CE2 4.26Å; K1076-Y1078 PolarHBondContact O-N 3.3Å; Y1078-G1080 PolarHBondContact O-N 3.05Å |
| 1079 | P | 24.7 | Very low | 24.6 | Very low | 109 Ų | 109 | 164.1 Ų | 164.1 | 71% | 0.708 | 80% | 0.796 | S | S | * | * | P | Polyproline II helix | trans | -65 | 132.7 | -175.7 | 25.4 | -30.5 | 0 | 0 | 0 | 109.7 | Y1081 | P1079-Y1081 PolarHBondContact O-N 3.28Š|
| 1080 | G | 22.5 | Very low | 24.5 | Very low | 77 Ų | 77 | 157.6 Ų | 157.6 | 79% | 0.794 | 79% | 0.787 | S | S | * | * | P | Polyproline II helix | trans | -58.1 | 131.2 | -177.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y1078 | Y1078-G1080 PolarHBondContact O-N 3.05Š|
| 1081 | Y | 27.2 | Very low | 24.4 | Very low | 227 Ų | 227 | 152.5 Ų | 152.5 | 89% | 0.89 | 79% | 0.785 | S | S | * | * | P | Polyproline II helix | trans | -96.9 | 123.9 | 157.5 | -89.7 | -87.1 | 0 | 0 | 0 | 108.7 | P1079 | P1079-Y1081 PolarHBondContact O-N 3.28Š|
| 1082 | G | 25 | Very low | 25.1 | Very low | 65 Ų | 65 | 154.9 Ų | 154.9 | 67% | 0.67 | 79% | 0.788 | S | S | * | * | trans | -27.4 | 132.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1083 | T | 24.3 | Very low | 25 | Very low | 137 Ų | 137 | 151.6 Ų | 151.6 | 84% | 0.84 | 79% | 0.787 | S | S | * | * | trans | -25.5 | 127.7 | 138.6 | 48.5 | 0 | 0 | 0 | 0 | 114 | ||||
| 1084 | C | 23 | Very low | 25.2 | Very low | 124 Ų | 124 | 147.3 Ų | 147.3 | 84% | 0.838 | 79% | 0.786 | S | S | * | * | trans | -142.4 | 94.7 | 152.8 | -80.9 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 1085 | D | 23.7 | Very low | 25.3 | Very low | 137 Ų | 137 | 140.3 Ų | 140.3 | 73% | 0.733 | 78% | 0.78 | S | S | * | * | trans | 36 | 114.7 | 145.3 | -62.7 | -39.4 | 0 | 0 | 0 | 122.2 | Y1087 | D1085-Y1087 PolarHBondContact O-N 3.39Š| ||
| 1086 | R | 22.7 | Very low | 25.4 | Very low | 235 Ų | 235 | 143.4 Ų | 143.4 | 89% | 0.887 | 79% | 0.787 | S | S | * | * | trans | -2.6 | 114.3 | 131.8 | -65.4 | 176.5 | -170.1 | 156.4 | 3.5 | 114.5 | ||||
| 1087 | Y | 24.7 | Very low | 25.3 | Very low | 233 Ų | 233 | 145 Ų | 145 | 91% | 0.914 | 80% | 0.797 | S | S | * | * | trans | -118.6 | 105.7 | 142.5 | -93.3 | -86.6 | 0 | 0 | 0 | 109.3 | D1085 | D1085-Y1087 PolarHBondContact O-N 3.39Š| ||
| 1088 | S | 22.8 | Very low | 25.6 | Very low | 104 Ų | 104 | 144 Ų | 144 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -80.9 | 169.2 | 166.2 | -167.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1089 | S | 25.8 | Very low | 25.7 | Very low | 98 Ų | 98 | 140.1 Ų | 140.1 | 69% | 0.685 | 80% | 0.795 | S | S | * | * | trans | 85.1 | 96.1 | 157.7 | 81.8 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1090 | S | 23.7 | Very low | 25.8 | Very low | 100 Ų | 100 | 146.6 Ų | 146.6 | 70% | 0.699 | 81% | 0.806 | S | S | * | * | 54.9 | 119.5 | 114.4 | 60.2 | 0 | 0 | 0 | 0 | 120.4 | |||||
| 1091 | C | 25.8 | Very low | 25.8 | Very low | 123 Ų | 123 | 149.5 Ų | 149.5 | 83% | 0.831 | 81% | 0.808 | S | S | * | * | trans | 46.4 | 148 | 136.3 | -56.6 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 1092 | P | 40.4 | Very low | 25.9 | Very low | 121 Ų | 121 | 146 Ų | 146 | 79% | 0.786 | 81% | 0.805 | S | S | * | * | cis | -147.2 | 172.1 | 29.8 | 35.8 | -12.5 | 0 | 0 | 0 | 117 | ||||
| 1093 | N | 24.3 | Very low | 26.3 | Very low | 159 Ų | 159 | 147.9 Ų | 147.9 | 85% | 0.85 | 81% | 0.805 | S | S | * | * | trans | -34.5 | 129.2 | 160.9 | -76 | -29.6 | 0 | 0 | 0 | 115.4 | ||||
| 1094 | T | 30.5 | Very low | 26.3 | Very low | 130 Ų | 130 | 152.6 Ų | 152.6 | 80% | 0.798 | 81% | 0.808 | S | S | * | * | trans | -138.1 | 105.9 | 141.7 | 52.5 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1095 | G | 23.9 | Very low | 26.5 | Very low | 70 Ų | 70 | 154.3 Ų | 154.3 | 72% | 0.722 | 81% | 0.808 | S | S | * | * | trans | -69.7 | 132.7 | 169.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1096 | Y | 27.8 | Very low | 26.7 | Very low | 215 Ų | 215 | 154 Ų | 154 | 84% | 0.843 | 81% | 0.811 | S | S | * | * | trans | -139.3 | 100.8 | 155.2 | -98.8 | -83.6 | 0 | 0 | 0 | 108.1 | ||||
| 1097 | Q | 23.3 | Very low | 26.7 | Very low | 188 Ų | 188 | 148.8 Ų | 148.8 | 88% | 0.879 | 81% | 0.81 | S | S | * | * | trans | -64.9 | 122.9 | 161 | -72 | 174.4 | -29.6 | 0 | 0 | 108.1 | ||||
| 1098 | H | 29.6 | Very low | 26.8 | Very low | 178 Ų | 178 | 144.1 Ų | 144.1 | 82% | 0.824 | 81% | 0.805 | S | S | * | * | trans | -138 | 104.2 | 151.7 | -103.3 | 50.1 | 0 | 0 | 0 | 108.3 | ||||
| 1099 | S | 23.3 | Very low | 27 | Very low | 112 Ų | 112 | 144.8 Ų | 144.8 | 78% | 0.783 | 81% | 0.807 | S | S | * | * | trans | -72.1 | 120.1 | 165.5 | 52.3 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1100 | R | 27 | Very low | 27.1 | Very low | 246 Ų | 246 | 149.5 Ų | 149.5 | 93% | 0.928 | 82% | 0.818 | S | S | * | * | trans | -144 | 98.2 | 151.1 | -97.3 | -174.7 | -176.9 | -178.8 | 0.3 | 108.7 | ||||
| 1101 | T | 23.5 | Very low | 27.2 | Very low | 138 Ų | 138 | 156.1 Ų | 156.1 | 85% | 0.847 | 83% | 0.828 | S | S | * | * | trans | -61.5 | 123.7 | 157.3 | 43.1 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 1102 | D | 28.3 | Very low | 27.2 | Very low | 154 Ų | 154 | 153.9 Ų | 153.9 | 82% | 0.824 | 83% | 0.825 | S | S | * | * | trans | -147.6 | 118.5 | 144.7 | -145.9 | -11 | 0 | 0 | 0 | 109.6 | ||||
| 1103 | P | 33.9 | Very low | 26.6 | Very low | 103 Ų | 103 | 157.1 Ų | 157.1 | 67% | 0.669 | 83% | 0.829 | S | S | * | * | trans | -95.5 | 130.3 | -178.4 | 34.3 | -26.6 | 0 | 0 | 0 | 110.1 | ||||
| 1104 | R | 24.9 | Very low | 26.7 | Very low | 237 Ų | 237 | 155 Ų | 155 | 89% | 0.894 | 83% | 0.827 | S | S | * | * | trans | 170.3 | 103.5 | 148.7 | -94.8 | 153.6 | -167.9 | -154.3 | 6 | 108.8 | ||||
| 1105 | N | 27.5 | Very low | 26.4 | Very low | 160 Ų | 160 | 159.7 Ų | 159.7 | 86% | 0.856 | 83% | 0.832 | S | S | * | * | -164.6 | 98.1 | 126 | -107.9 | -13.5 | 0 | 0 | 0 | 110.6 | |||||
| 1106 | T | 28.1 | Very low | 26.5 | Very low | 129 Ų | 129 | 167.3 Ų | 167.3 | 79% | 0.791 | 84% | 0.839 | S | S | * | * | trans | -54.8 | 125.7 | 162.1 | 23.6 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1107 | C | 21.9 | Very low | 26.3 | Very low | 127 Ų | 127 | 166 Ų | 166 | 86% | 0.858 | 84% | 0.84 | S | S | * | * | trans | -48.9 | 132.4 | 160.2 | -54.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1108 | V | 26.6 | Very low | 26.5 | Very low | 135 Ų | 135 | 166 Ų | 166 | 82% | 0.818 | 84% | 0.84 | S | S | * | * | trans | -116.2 | 131.1 | 155.9 | 178.1 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 1109 | P | 27.9 | Very low | 26.4 | Very low | 117 Ų | 117 | 161.7 Ų | 161.7 | 76% | 0.76 | 84% | 0.835 | S | S | * | * | trans | -90.2 | 146 | -160.1 | 25.1 | -11.5 | 0 | 0 | 0 | 112.6 | R1111 | P1109-R1111 PolarHBondContact O-N 2.62Š| ||
| 1110 | H | 27.4 | Very low | 26.4 | Very low | 197 Ų | 197 | 167.7 Ų | 167.7 | 91% | 0.912 | 84% | 0.841 | S | S | * | * | trans | -58.4 | 120.2 | 178.5 | -81.8 | -73 | 0 | 0 | 0 | 112.9 | G1112 | H1110-G1112 PolarHBondContact O-N 3.09Š| ||
| 1111 | R | 25.9 | Very low | 26.3 | Very low | 240 Ų | 240 | 167.2 Ų | 167.2 | 91% | 0.906 | 84% | 0.841 | S | S | * | * | trans | -64.7 | 109.4 | 162.6 | -104.1 | 179.8 | -179.2 | 178.7 | 1.7 | 109.1 | P1109 | P1109-R1111 PolarHBondContact O-N 2.62Š| ||
| 1112 | G | 26.2 | Very low | 26.4 | Very low | 76 Ų | 76 | 166.2 Ų | 166.2 | 78% | 0.784 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -73.1 | 127.4 | 167 | 0 | 0 | 0 | 0 | 0 | 110.7 | H1110 S1114 | H1110-G1112 PolarHBondContact O-N 3.09Å; G1112-S1114 PolarHBondContact O-N 3.24Å |
| 1113 | H | 27.1 | Very low | 26.3 | Very low | 189 Ų | 189 | 162.2 Ų | 162.2 | 88% | 0.875 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -59.3 | 122.7 | 178.5 | -82 | -78.1 | 0 | 0 | 0 | 112 | ||
| 1114 | S | 27 | Very low | 26.1 | Very low | 114 Ų | 114 | 162.8 Ų | 162.8 | 80% | 0.797 | 84% | 0.841 | S | S | * | * | P | Polyproline II helix | trans | -71 | 129.6 | 169.7 | 51.1 | 0 | 0 | 0 | 0 | 110.5 | G1112 R1116 | G1112-S1114 PolarHBondContact O-N 3.24Å; S1114-R1116 PolarHBondContact O-N 3.29Å |
| 1115 | Y | 23.9 | Very low | 26.1 | Very low | 228 Ų | 228 | 155.9 Ų | 155.9 | 89% | 0.894 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -60 | 124.8 | 170.2 | -101.7 | -103.5 | 0 | 0 | 0 | 109.7 | E1117 | Y1115-E1117 PolarHBondContact O-N 3.1Š|
| 1116 | R | 25.6 | Very low | 26.2 | Very low | 231 Ų | 231 | 157.7 Ų | 157.7 | 87% | 0.872 | 84% | 0.835 | S | S | * | * | trans | -70.4 | 113 | -179.8 | -166.4 | 174.2 | -175.3 | 165.7 | -0.1 | 109.3 | S1114 H1118 | S1114-R1116 PolarHBondContact O-N 3.29Å; R1116-H1118 PolarHBondContact O-N 3.33Å | ||
| 1117 | E | 23.8 | Very low | 26 | Very low | 186 Ų | 186 | 155.1 Ų | 155.1 | 87% | 0.869 | 83% | 0.833 | S | S | * | * | P | Polyproline II helix | trans | -59.7 | 121.1 | 173.4 | -68.6 | 176.4 | 139.6 | 0 | 0 | 110.9 | Y1115 | Y1115-E1117 PolarHBondContact O-N 3.1Š|
| 1118 | H | 26.8 | Very low | 26.3 | Very low | 188 Ų | 188 | 158 Ų | 158 | 87% | 0.87 | 83% | 0.834 | S | S | * | * | P | Polyproline II helix | trans | -80 | 116.3 | 161.9 | -83.1 | -76.9 | 0 | 0 | 0 | 109 | R1116 R1120 | R1116-H1118 PolarHBondContact O-N 3.33Å; H1118-R1120 PolarHBondContact O-N 2.95Å |
| 1119 | A | 27.6 | Very low | 26.2 | Very low | 89 Ų | 89 | 161.7 Ų | 161.7 | 74% | 0.736 | 84% | 0.839 | S | S | * | * | P | Polyproline II helix | trans | -64.3 | 125.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | ||
| 1120 | R | 23.4 | Very low | 26.3 | Very low | 238 Ų | 238 | 161.2 Ų | 161.2 | 90% | 0.898 | 84% | 0.838 | S | S | * | * | trans | 20.1 | 101.3 | 139.8 | -60.6 | -180 | -174.8 | 164.3 | 2.1 | 116.5 | H1118 | H1118-R1120 PolarHBondContact O-N 2.95Š| ||
| 1121 | Y | 24.7 | Very low | 26 | Very low | 236 Ų | 236 | 162.5 Ų | 162.5 | 93% | 0.925 | 84% | 0.837 | S | S | * | * | trans | -94.2 | 93.2 | 150.4 | -109.6 | -91.3 | 0 | 0 | 0 | 109.4 | G1123 | Y1121-G1123 PolarHBondContact O-N 3.46Š| ||
| 1122 | S | 26.9 | Very low | 26.1 | Very low | 117 Ų | 117 | 161.7 Ų | 161.7 | 82% | 0.818 | 84% | 0.835 | S | S | * | * | trans | -72.9 | 92.4 | 163.1 | 46.8 | 0 | 0 | 0 | 0 | 108.8 | ||||
| 1123 | G | 25.4 | Very low | 26 | Very low | 70 Ų | 70 | 164.3 Ų | 164.3 | 72% | 0.722 | 83% | 0.832 | S | S | * | * | trans | -105.1 | 92.5 | -179 | 0 | 0 | 0 | 0 | 0 | 111.8 | Y1121 | Y1121-G1123 PolarHBondContact O-N 3.46Š| ||
| 1124 | S | 29.3 | Very low | 25.8 | Very low | 114 Ų | 114 | 159.1 Ų | 159.1 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | trans | -51.2 | 133.4 | 174.5 | -172.8 | 0 | 0 | 0 | 0 | 112.9 | K1126 | S1124-K1126 PolarHBondContact O-N 2.79Å; S1124-K1126 VanDerWaalsContact O-N 3.15Å | ||
| 1125 | A | 26.1 | Very low | 25.7 | Very low | 92 Ų | 92 | 163.9 Ų | 163.9 | 76% | 0.76 | 82% | 0.817 | S | S | * | * | trans | -57.9 | 111.4 | 169 | 0 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1126 | K | 29.6 | Very low | 26 | Very low | 199 Ų | 199 | 161.2 Ų | 161.2 | 87% | 0.865 | 81% | 0.812 | S | S | * | * | trans | -165.3 | 110.6 | 150.5 | -105.1 | 159.2 | -170.3 | -175.4 | 0 | 108.4 | S1124 | S1124-K1126 PolarHBondContact O-N 2.79Å; S1124-K1126 VanDerWaalsContact O-N 3.15Å | ||
| 1127 | G | 23.8 | Very low | 26.1 | Very low | 74 Ų | 74 | 161.2 Ų | 161.2 | 76% | 0.763 | 81% | 0.812 | S | S | * | * | trans | -63.4 | 140.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1128 | H | 28.4 | Very low | 26.1 | Very low | 188 Ų | 188 | 159.2 Ų | 159.2 | 87% | 0.87 | 81% | 0.808 | S | S | * | * | trans | -145.7 | 122 | 152.5 | -103.1 | -89.1 | 0 | 0 | 0 | 108.5 | ||||
| 1129 | K | 23.5 | Very low | 26.2 | Very low | 213 Ų | 213 | 161.4 Ų | 161.4 | 93% | 0.926 | 81% | 0.808 | S | S | * | * | trans | -70.1 | 127.8 | 167.8 | -81.1 | 172.5 | 167.6 | 177.3 | 0 | 109.4 | ||||
| 1130 | S | 29.6 | Very low | 26.2 | Very low | 107 Ų | 107 | 164.9 Ų | 164.9 | 75% | 0.748 | 81% | 0.809 | S | S | * | * | trans | -171.8 | 99.9 | 152.9 | 51.7 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 1131 | Y | 21.5 | Very low | 26.3 | Very low | 223 Ų | 223 | 158.1 Ų | 158.1 | 88% | 0.875 | 80% | 0.798 | S | S | * | * | 36.4 | 99.8 | 88.8 | -111.1 | -90.7 | 0 | 0 | 0 | 113.5 | |||||
| 1132 | Y | 27.1 | Very low | 26.6 | Very low | 223 Ų | 223 | 156.1 Ų | 156.1 | 88% | 0.875 | 80% | 0.797 | S | S | * | * | trans | -174.6 | 106 | 131.7 | -103.3 | -73.7 | 0 | 0 | 0 | 110.9 | ||||
| 1133 | D | 24.7 | Very low | 26.5 | Very low | 132 Ų | 132 | 159.6 Ų | 159.6 | 71% | 0.706 | 80% | 0.801 | S | S | * | * | 29 | 107.2 | 126 | -141.1 | 6.6 | 0 | 0 | 0 | 121.1 | |||||
| 1134 | S | 23.8 | Very low | 26.5 | Very low | 80 Ų | 80 | 160.4 Ų | 160.4 | 56% | 0.559 | 80% | 0.8 | S | S | * | * | 54 | 142.5 | 123.9 | 82.3 | 0 | 0 | 0 | 0 | 125.2 | |||||
| 1135 | R | 23.4 | Very low | 26.4 | Very low | 214 Ų | 214 | 162 Ų | 162 | 81% | 0.808 | 80% | 0.8 | S | S | * | * | trans | 79.9 | 112.4 | 154.2 | -59 | 174.4 | -167.7 | -174.4 | 2.7 | 118.6 | ||||
| 1136 | H | 31.9 | Very low | 26.3 | Very low | 172 Ų | 172 | 165.6 Ų | 165.6 | 80% | 0.796 | 80% | 0.801 | S | S | * | * | 170.2 | 109.1 | 115.1 | -86.5 | -56.4 | 0 | 0 | 0 | 109.3 | |||||
| 1137 | R | 26.3 | Very low | 26.5 | Very low | 231 Ų | 231 | 165.6 Ų | 165.6 | 87% | 0.872 | 80% | 0.803 | S | S | * | * | 87.1 | 109.3 | 84 | -137.1 | -175.2 | -162.8 | -176.3 | 3.3 | 114.2 | |||||
| 1138 | N | 24.2 | Very low | 26.6 | Very low | 144 Ų | 144 | 170.1 Ų | 170.1 | 77% | 0.77 | 80% | 0.804 | S | S | * | * | trans | -5.9 | 138.2 | 153.5 | -79.7 | -14.2 | 0 | 0 | 0 | 120.1 | ||||
| 1139 | R | 29.6 | Very low | 26.6 | Very low | 233 Ų | 233 | 168 Ų | 168 | 88% | 0.879 | 80% | 0.799 | S | S | * | * | trans | -168 | 106.6 | 133.3 | -105.4 | 171.4 | -171.6 | -172.4 | 2.6 | 109.3 | ||||
| 1140 | H | 28.2 | Very low | 26.9 | Very low | 163 Ų | 163 | 164.7 Ų | 164.7 | 76% | 0.755 | 79% | 0.792 | S | S | * | * | 72 | 97.2 | 98.3 | -77.7 | -62.7 | 0 | 0 | 0 | 116.1 | |||||
| 1141 | S | 24.7 | Very low | 26.6 | Very low | 96 Ų | 96 | 170.5 Ų | 170.5 | 67% | 0.671 | 80% | 0.797 | S | S | * | * | 25.8 | 123.7 | 120.7 | 58.3 | 0 | 0 | 0 | 0 | 120.3 | |||||
| 1142 | Q | 31.2 | Very low | 27 | Very low | 193 Ų | 193 | 166.4 Ų | 166.4 | 90% | 0.902 | 79% | 0.791 | S | S | * | * | trans | 177.5 | 107.4 | 143.2 | -96.9 | 162.8 | 18.4 | 0 | 0 | 105.7 | ||||
| 1143 | Q | 23.5 | Very low | 27 | Very low | 191 Ų | 191 | 161.5 Ų | 161.5 | 89% | 0.893 | 78% | 0.784 | S | S | * | * | 60.6 | 105.2 | 64.1 | -141.7 | 178.8 | 20.1 | 0 | 0 | 113.6 | |||||
| 1144 | A | 26.8 | Very low | 27.2 | Very low | 87 Ų | 87 | 162.9 Ų | 162.9 | 72% | 0.719 | 79% | 0.79 | S | S | * | * | trans | 163.5 | 117.2 | 135.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1145 | D | 25.8 | Very low | 27.4 | Very low | 147 Ų | 147 | 167.9 Ų | 167.9 | 79% | 0.786 | 80% | 0.804 | S | S | * | * | 60.8 | 109.9 | 125.4 | -58.7 | -17.9 | 0 | 0 | 0 | 124.2 | |||||
| 1146 | H | 24.7 | Very low | 27.6 | Very low | 168 Ų | 168 | 163 Ų | 163 | 78% | 0.778 | 80% | 0.803 | S | S | * | * | 42 | 117 | 118.6 | -78.1 | 34.1 | 0 | 0 | 0 | 119.6 | |||||
| 1147 | H | 34.2 | Very low | 27.5 | Very low | 198 Ų | 198 | 161.6 Ų | 161.6 | 92% | 0.917 | 81% | 0.806 | S | S | * | * | trans | -155.1 | 130.3 | 135.1 | -96.3 | -60.2 | 0 | 0 | 0 | 112.4 | ||||
| 1148 | H | 25.4 | Very low | 27.4 | Very low | 169 Ų | 169 | 159.3 Ų | 159.3 | 78% | 0.782 | 81% | 0.805 | S | S | * | * | trans | -67.8 | 154.5 | 168 | -88.2 | -77 | 0 | 0 | 0 | 112.5 | ||||
| 1149 | N | 29.7 | Very low | 27.4 | Very low | 143 Ų | 143 | 161.4 Ų | 161.4 | 77% | 0.765 | 81% | 0.81 | S | S | * | * | 169.8 | 125.9 | 121.6 | -78.8 | -16.1 | 0 | 0 | 0 | 113.9 | |||||
| 1150 | D | 28.1 | Very low | 27.3 | Very low | 144 Ų | 144 | 158.1 Ų | 158.1 | 77% | 0.77 | 81% | 0.809 | S | S | * | * | trans | 49.6 | 108.4 | 134 | -59.7 | -29.2 | 0 | 0 | 0 | 125 | ||||
| 1151 | R | 24.6 | Very low | 27 | Very low | 230 Ų | 230 | 159.4 Ų | 159.4 | 87% | 0.868 | 82% | 0.815 | S | S | * | * | 39.4 | 151.4 | 109.9 | -133.9 | -179 | -175.1 | 155.6 | 0.7 | 123.6 | |||||
| 1152 | D | 29.2 | Very low | 27.3 | Very low | 137 Ų | 137 | 161.4 Ų | 161.4 | 73% | 0.733 | 82% | 0.823 | S | S | * | * | trans | 108.9 | 139.6 | 157.8 | -65.8 | -6.6 | 0 | 0 | 0 | 115.5 | ||||
| 1153 | T | 26.8 | Very low | 27 | Very low | 119 Ų | 119 | 157.5 Ų | 157.5 | 73% | 0.73 | 82% | 0.817 | S | S | * | * | cis | -163.5 | 152.3 | -7 | -76.1 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1154 | I | 29.2 | Very low | 27.1 | Very low | 162 Ų | 162 | 157.5 Ų | 157.5 | 83% | 0.831 | 82% | 0.817 | S | S | * | * | trans | -95.7 | 134.4 | 176.6 | -66.6 | 166.8 | 0 | 0 | 0 | 109.5 | ||||
| 1155 | E | 28.8 | Very low | 27 | Very low | 184 Ų | 184 | 158.1 Ų | 158.1 | 86% | 0.86 | 82% | 0.816 | S | S | * | * | trans | -124.1 | 136.7 | 160.9 | -99.6 | -175.2 | 168.7 | 0 | 0 | 111 | ||||
| 1156 | S | 26.6 | Very low | 27.2 | Very low | 113 Ų | 113 | 158.5 Ų | 158.5 | 79% | 0.79 | 82% | 0.818 | S | S | * | * | trans | -77.7 | 135.2 | -176.2 | 48.2 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1157 | V | 30 | Very low | 27.3 | Very low | 141 Ų | 141 | 156.4 Ų | 156.4 | 86% | 0.855 | 82% | 0.817 | S | S | * | * | trans | -104.6 | 119 | 175 | 177.3 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1158 | Q | 24.6 | Very low | 27.2 | Very low | 183 Ų | 183 | 153 Ų | 153 | 86% | 0.855 | 81% | 0.813 | S | S | * | * | trans | -78.2 | 143.1 | 174.3 | -81.1 | 176.6 | -22.7 | 0 | 0 | 111.8 | ||||
| 1159 | H | 23.6 | Very low | 27.3 | Very low | 188 Ų | 188 | 153 Ų | 153 | 87% | 0.87 | 81% | 0.813 | S | S | * | * | trans | -60.6 | 131.7 | 169.6 | -85.3 | -103.9 | 0 | 0 | 0 | 111.8 | ||||
| 1160 | L | 27.9 | Very low | 27.1 | Very low | 164 Ų | 164 | 151.1 Ų | 151.1 | 86% | 0.859 | 81% | 0.811 | S | S | * | * | trans | -125.9 | 122.4 | 158.7 | -140.5 | 86.7 | 0 | 0 | 0 | 108.5 | ||||
| 1161 | E | 22.3 | Very low | 27.4 | Very low | 190 Ų | 190 | 151.5 Ų | 151.5 | 89% | 0.888 | 82% | 0.818 | S | S | * | * | trans | -63.4 | 130.6 | 175.5 | -66.6 | 173.6 | 147 | 0 | 0 | 110.5 | ||||
| 1162 | V | 30.5 | Very low | 27.4 | Very low | 138 Ų | 138 | 144.9 Ų | 144.9 | 84% | 0.836 | 81% | 0.807 | S | S | * | * | trans | -121.5 | 110.3 | 171.9 | 179.4 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 1163 | S | 24.8 | Very low | 27.3 | Very low | 112 Ų | 112 | 147.4 Ų | 147.4 | 78% | 0.783 | 81% | 0.812 | S | S | * | * | trans | -68.9 | 143.4 | -178.8 | -41.5 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1164 | Q | 25 | Very low | 27.2 | Very low | 191 Ų | 191 | 146.5 Ų | 146.5 | 89% | 0.893 | 81% | 0.811 | S | S | * | * | trans | -70.8 | 129.3 | 170.4 | -70.1 | 170.6 | -18.2 | 0 | 0 | 111.8 | ||||
| 1165 | S | 26.2 | Very low | 27 | Very low | 99 Ų | 99 | 146.4 Ų | 146.4 | 69% | 0.692 | 81% | 0.812 | S | S | * | * | trans | 175.6 | 112 | 138.7 | 53.7 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1166 | D | 30 | Very low | 27 | Very low | 155 Ų | 155 | 142.8 Ų | 142.8 | 83% | 0.829 | 81% | 0.813 | S | S | * | * | 161.1 | 117.2 | 121.8 | -79.5 | -23.8 | 0 | 0 | 0 | 112 | |||||
| 1167 | V | 26.8 | Very low | 26.9 | Very low | 125 Ų | 125 | 145.5 Ų | 145.5 | 76% | 0.758 | 81% | 0.813 | S | S | * | * | trans | -74.6 | 141.8 | 171.4 | 172 | 0 | 0 | 0 | 0 | 109.2 | Q1169 | V1167-Q1169 HydrophobicContact CG1-CG 4.06Š| ||
| 1168 | P | 31.9 | Very low | 26.7 | Very low | 127 Ų | 127 | 147.1 Ų | 147.1 | 83% | 0.825 | 81% | 0.809 | S | S | * | * | trans | -129 | 133.8 | 137.8 | 19.3 | -0 | 0 | 0 | 0 | 112.3 | ||||
| 1169 | Q | 27 | Very low | 26.7 | Very low | 168 Ų | 168 | 143.1 Ų | 143.1 | 79% | 0.785 | 80% | 0.801 | S | S | * | * | trans | -76.5 | 155.4 | -175.2 | -68.8 | 168.7 | -39.7 | 0 | 0 | 113.6 | V1167 | V1167-Q1169 HydrophobicContact CG1-CG 4.06Š| ||
| 1170 | S | 26.2 | Very low | 26.7 | Very low | 104 Ų | 104 | 141 Ų | 141 | 73% | 0.727 | 80% | 0.796 | S | S | * | * | trans | 62 | 113.2 | 140 | 65.7 | 0 | 0 | 0 | 0 | 119.8 | ||||
| 1171 | V | 33.3 | Very low | 26.6 | Very low | 152 Ų | 152 | 137.9 Ų | 137.9 | 92% | 0.921 | 79% | 0.788 | S | S | * | * | trans | -140.9 | 135.9 | 130.7 | -177.6 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1172 | S | 25.8 | Very low | 26.7 | Very low | 91 Ų | 91 | 133.8 Ų | 133.8 | 64% | 0.636 | 78% | 0.78 | S | S | * | * | trans | -111.4 | 156.4 | -166.6 | 47.7 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1173 | K | 25.2 | Very low | 26.4 | Very low | 189 Ų | 189 | 132.3 Ų | 132.3 | 82% | 0.822 | 78% | 0.776 | S | S | * | * | trans | 71.5 | 118.7 | 148.6 | -73.4 | 171.9 | -179.2 | -179.1 | 0 | 119.8 | ||||
| 1174 | S | 25.4 | Very low | 26.4 | Very low | 101 Ų | 101 | 134.9 Ų | 134.9 | 71% | 0.706 | 78% | 0.78 | S | S | * | * | 121.1 | 122.7 | 111.8 | 68.1 | 0 | 0 | 0 | 0 | 117.7 | |||||
| 1175 | N | 24.4 | Very low | 26.6 | Very low | 160 Ų | 160 | 132.3 Ų | 132.3 | 86% | 0.856 | 78% | 0.777 | S | S | * | * | trans | 52.9 | 116.5 | 135.5 | -58.9 | -11.1 | 0 | 0 | 0 | 119.9 | ||||
| 1176 | A | 29.6 | Very low | 26.7 | Very low | 108 Ų | 108 | 136.4 Ų | 136.4 | 89% | 0.893 | 78% | 0.783 | S | S | * | * | -163.3 | 120.7 | 119 | 0 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1177 | Q | 24.7 | Very low | 26.6 | Very low | 169 Ų | 169 | 135.3 Ų | 135.3 | 79% | 0.79 | 79% | 0.786 | S | S | * | * | trans | -81 | 145.2 | 175.3 | -84.6 | 175.5 | -49.2 | 0 | 0 | 111.6 | ||||
| 1178 | K | 24.9 | Very low | 26.6 | Very low | 176 Ų | 176 | 136.4 Ų | 136.4 | 77% | 0.765 | 79% | 0.787 | S | S | * | * | trans | 67 | 152.2 | 130.5 | -75.5 | -178.8 | 170 | -178 | 0 | 121 | ||||
| 1179 | S | 24.8 | Very low | 26.6 | Very low | 98 Ų | 98 | 137.2 Ų | 137.2 | 69% | 0.685 | 79% | 0.79 | S | S | * | * | trans | 81.3 | 141.1 | 153.9 | 69.1 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1180 | D | 25.1 | Very low | 26.7 | Very low | 143 Ų | 143 | 137.5 Ų | 137.5 | 77% | 0.765 | 79% | 0.791 | S | S | * | * | cis | -169.9 | 153.6 | -10.9 | -103.1 | -30 | 0 | 0 | 0 | 105.7 | ||||
| 1181 | S | 24.3 | Very low | 26.7 | Very low | 99 Ų | 99 | 139.6 Ų | 139.6 | 69% | 0.692 | 79% | 0.794 | S | S | * | * | trans | 50.8 | 122.4 | 141.4 | 70 | 0 | 0 | 0 | 0 | 121.7 | ||||
| 1182 | S | 24 | Very low | 26.4 | Very low | 104 Ų | 104 | 138.1 Ų | 138.1 | 73% | 0.727 | 79% | 0.79 | S | S | * | * | 99.6 | 141.4 | 116.1 | 74.5 | 0 | 0 | 0 | 0 | 121.7 | |||||
| 1183 | S | 25.3 | Very low | 26.6 | Very low | 107 Ų | 107 | 140.4 Ų | 140.4 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 72.9 | 105.4 | 159 | 64.2 | 0 | 0 | 0 | 0 | 117 | ||||
| 1184 | L | 25.4 | Very low | 26.9 | Very low | 167 Ų | 167 | 140.8 Ų | 140.8 | 87% | 0.874 | 80% | 0.797 | S | S | * | * | 67.2 | 110.7 | 78.7 | -163.4 | 113.4 | 0 | 0 | 0 | 111.8 | |||||
| 1185 | V | 29.2 | Very low | 27.2 | Very low | 137 Ų | 137 | 141.4 Ų | 141.4 | 83% | 0.83 | 80% | 0.798 | S | S | * | * | trans | 179.6 | 137 | 133.7 | 153.1 | 0 | 0 | 0 | 0 | 109.5 | ||||
| 1186 | K | 27.5 | Very low | 27.5 | Very low | 184 Ų | 184 | 142.9 Ų | 142.9 | 80% | 0.8 | 80% | 0.8 | S | S | * | * | trans | -67 | 151.7 | 179 | -64.8 | 169.4 | 170.3 | -178.4 | 0 | 112.7 | ||||
| 1187 | C | 27.1 | Very low | 28 | Very low | 132 Ų | 132 | 145 Ų | 145 | 89% | 0.892 | 80% | 0.795 | S | S | * | * | trans | -154.9 | 130.6 | 142 | -96.3 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 1188 | D | 28.1 | Very low | 28.9 | Very low | 149 Ų | 149 | 143.4 Ų | 143.4 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -76.5 | 141.7 | 178.3 | -56.6 | -63 | 0 | 0 | 0 | 111.6 | ||||
| 1189 | T | 31.9 | Very low | 29.7 | Very low | 144 Ų | 144 | 138.7 Ų | 138.7 | 88% | 0.883 | 78% | 0.781 | S | S | * | * | trans | -154.5 | 138.2 | 151.6 | -42.7 | 0 | 0 | 0 | 0 | 110.6 | ||||
| 1190 | E | 27.7 | Very low | 30.9 | Very low | 173 Ų | 173 | 139.1 Ų | 139.1 | 81% | 0.808 | 78% | 0.779 | S | S | * | * | trans | -78.6 | 148.5 | -161.6 | -60.7 | 174.1 | 145 | 0 | 0 | 115.8 | ||||
| 1191 | L | 26.5 | Very low | 32.1 | Very low | 148 Ų | 148 | 139.9 Ų | 139.9 | 78% | 0.775 | 78% | 0.779 | S | S | * | * | trans | 33.6 | 115.8 | 137.8 | -74.4 | 140.5 | 0 | 0 | 0 | 120.3 | ||||
| 1192 | S | 28.3 | Very low | 33.7 | Very low | 121 Ų | 121 | 138.9 Ų | 138.9 | 85% | 0.846 | 77% | 0.768 | S | S | * | * | trans | -151 | 108.7 | 140.3 | 171.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 1193 | D | 29.5 | Very low | 35.6 | Very low | 139 Ų | 139 | 137.8 Ų | 137.8 | 74% | 0.743 | 75% | 0.754 | S | S | * | * | trans | -65.1 | 128.8 | 175.6 | -68.2 | -53.2 | 0 | 0 | 0 | 112.9 | ||||
| 1194 | K | 32 | Very low | 37.7 | Very low | 198 Ų | 198 | 136.6 Ų | 136.6 | 86% | 0.861 | 74% | 0.737 | S | S | * | * | trans | -160 | 148.6 | 150.4 | -110 | 169.8 | -173.3 | 178.6 | 0 | 110 | ||||
| 1195 | P | 31.9 | Very low | 39.8 | Very low | 113 Ų | 113 | 132.1 Ų | 132.1 | 73% | 0.734 | 72% | 0.719 | S | S | * | * | trans | -75.9 | 134.8 | -138.1 | 29.2 | -35.4 | 0 | 0 | 0 | 113.5 | I1197 | P1195-I1197 PolarHBondContact O-N 3.3Š| ||
| 1196 | Q | 30.3 | Very low | 42.1 | Very low | 191 Ų | 191 | 134 Ų | 134 | 89% | 0.893 | 71% | 0.712 | S | S | * | * | trans | -61.3 | 102.1 | 173.4 | -70.8 | 177.7 | -28.9 | 0 | 0 | 110.5 | ||||
| 1197 | I | 39.5 | Very low | 44.5 | Very low | 154 Ų | 154 | 132.3 Ų | 132.3 | 79% | 0.79 | 70% | 0.7 | S | S | * | * | trans | -87.4 | 119.3 | 154.4 | -63.8 | 172.7 | 0 | 0 | 0 | 105.6 | P1195 S1199 | P1195-I1197 PolarHBondContact O-N 3.3Å; I1197-S1199 PolarHBondContact O-N 3.06Å | ||
| 1198 | N | 43 | Very low | 46.9 | Very low | 135 Ų | 135 | 128.7 Ų | 128.7 | 72% | 0.722 | 67% | 0.672 | S | S | * | * | trans | -41.3 | 94 | -175.5 | -68.9 | -24.6 | 0 | 0 | 0 | 113.8 | T1200 | N1198-T1200 VanDerWaalsContact C-N 3.26Å; N1198-T1200 PolarHBondContact O-N 3.03Å | ||
| 1199 | S | 43.3 | Very low | 49.4 | Very low | 76 Ų | 76 | 125.6 Ų | 125.6 | 53% | 0.531 | 65% | 0.653 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -79.8 | -3.9 | 177.5 | 53.5 | 0 | 0 | 0 | 0 | 113.9 | I1197 E1201 T1202 D1203 | I1197-S1199 PolarHBondContact O-N 3.06Å; S1199-E1201 PolarHBondContact O-N 3.08Å; S1199-T1202 PolarHBondContact O-N 3.12Å; S1199-T1202 PolarHBondContact O-OG1 3.39Å; S1199-D1203 PolarHBondContact O-N 3.42Å |
| 1200 | T | 48.2 | Very low | 51.7 | Low | 107 Ų | 107 | 121.2 Ų | 121.2 | 66% | 0.656 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -68.8 | -29.4 | -176.7 | 47.6 | 0 | 0 | 0 | 0 | 113.6 | N1198 Q1204 | N1198-T1200 VanDerWaalsContact C-N 3.26Å; N1198-T1200 PolarHBondContact O-N 3.03Å; T1200-Q1204 PolarHBondContact O-N 2.66Å |
| 1201 | E | 51.5 | Low | 53.8 | Low | 160 Ų | 160 | 119 Ų | 119 | 75% | 0.748 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -74.6 | -36.2 | 178.1 | -108.5 | 179.3 | 170 | 0 | 0 | 112.5 | S1199 S1205 | S1199-E1201 PolarHBondContact O-N 3.08Å; E1201-S1205 WeakPolarHBondContact O-CB 3.48Å; E1201-S1205 PolarHBondContact O-N 3.01Å |
| 1202 | T | 57 | Low | 56.2 | Low | 78 Ų | 78 | 119.1 Ų | 119.1 | 48% | 0.479 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -67.9 | -36.7 | 179.1 | 29.3 | 0 | 0 | 0 | 0 | 113.2 | S1199 R1206 | S1199-T1202 PolarHBondContact O-N 3.12Å; S1199-T1202 PolarHBondContact O-OG1 3.39Å; T1202-R1206 WeakPolarHBondContact O-CB 3.37Å; T1202-R1206 WeakPolarHBondContact O-CG 3.46Å; T1202-R1206 PolarHBondContact O-N 3.19Å |
| 1203 | D | 64.1 | Low | 58.7 | Low | 80 Ų | 80 | 116.8 Ų | 116.8 | 43% | 0.428 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -77.5 | -29.6 | -180 | -75.9 | -17.2 | 0 | 0 | 0 | 113 | S1199 R1207 | S1199-D1203 PolarHBondContact O-N 3.42Å; D1203-R1207 WeakPolarHBondContact O-CB 3.43Å; D1203-R1207 PolarHBondContact O-N 2.98Å; D1203-R1207 VanDerWaalsContact O-N 3.08Å; D1203-R1207 PolarHBondContact O-NE 2.63Å |
| 1204 | Q | 69.7 | Low | 61 | Low | 83 Ų | 83 | 116.2 Ų | 116.2 | 39% | 0.388 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -70.6 | -45.2 | 172.2 | -164.6 | 64.1 | 31.5 | 0 | 0 | 110.5 | T1200 R1206 R1207 D1208 | T1200-Q1204 PolarHBondContact O-N 2.66Å; Q1204-R1206 VanDerWaalsContact C-N 3.32Å; Q1204-R1206 PolarHBondContact O-N 3.43Å; Q1204-R1207 PolarHBondContact O-N 3.43Å; Q1204-R1207 VanDerWaalsContact O-N 3.11Å; Q1204-D1208 PolarHBondContact NE2-OD1 3.22Å; Q1204-D1208 WeakPolarHBondContact O-CB 3.42Å; Q1204-D1208 VanDerWaalsContact O-CG 3.24Å; Q1204-D1208 PolarHBondContact O-N 2.83Å |
| 1205 | S | 69.6 | Low | 63.1 | Low | 72 Ų | 72 | 109.2 Ų | 109.2 | 50% | 0.503 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -59.9 | -40.3 | 175.8 | -174.1 | 0 | 0 | 0 | 0 | 112.5 | E1201 D1208 Q1209 | E1201-S1205 WeakPolarHBondContact O-CB 3.48Å; E1201-S1205 PolarHBondContact O-N 3.01Å; S1205-D1208 PolarHBondContact O-N 3.24Å; S1205-Q1209 VanDerWaalsContact O-CB 3.31Å; S1205-Q1209 WeakPolarHBondContact O-CB 3.21Å; S1205-Q1209 PolarHBondContact O-N 3.15Å |
| 1206 | R | 77.5 | Confident | 65.2 | Low | 178 Ų | 178 | 112.2 Ų | 112.2 | 67% | 0.672 | 56% | 0.561 | S | S | * | * | H | α-helix | trans | -64.7 | -40.4 | 173.3 | -78.6 | 178.1 | 173.1 | 149.5 | -1.5 | 112.9 | T1202 Q1204 A1210 | T1202-R1206 WeakPolarHBondContact O-CB 3.37Å; T1202-R1206 WeakPolarHBondContact O-CG 3.46Å; T1202-R1206 PolarHBondContact O-N 3.19Å; Q1204-R1206 VanDerWaalsContact C-N 3.32Å; Q1204-R1206 PolarHBondContact O-N 3.43Å; R1206-A1210 VanDerWaalsContact O-CB 3.32Å; R1206-A1210 WeakPolarHBondContact O-CB 3.37Å; R1206-A1210 PolarHBondContact O-N 2.91Å |
| 1207 | R | 78.1 | Confident | 67.2 | Low | 147 Ų | 147 | 108.2 Ų | 108.2 | 56% | 0.555 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -65.8 | -42.4 | 174.8 | -90.3 | -177.6 | -76.9 | 153.2 | -0.7 | 112.2 | D1203 Q1204 Q1209 A1210 M1211 | D1203-R1207 WeakPolarHBondContact O-CB 3.43Å; D1203-R1207 PolarHBondContact O-N 2.98Å; D1203-R1207 VanDerWaalsContact O-N 3.08Å; D1203-R1207 PolarHBondContact O-NE 2.63Å; Q1204-R1207 PolarHBondContact O-N 3.43Å; Q1204-R1207 VanDerWaalsContact O-N 3.11Å; R1207-Q1209 VanDerWaalsContact C-N 3.34Å; R1207-A1210 PolarHBondContact O-N 3.03Å; R1207-M1211 WeakPolarHBondContact O-CB 3.27Å; R1207-M1211 PolarHBondContact O-N 3.39Å |
| 1208 | D | 76.6 | Confident | 69 | Low | 56 Ų | 56 | 109.8 Ų | 109.8 | 30% | 0.299 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -68.2 | -37.5 | 179.2 | -66.7 | -17.1 | 0 | 0 | 0 | 111.1 | Q1204 S1205 M1211 R1212 | Q1204-D1208 PolarHBondContact NE2-OD1 3.22Å; Q1204-D1208 WeakPolarHBondContact O-CB 3.42Å; Q1204-D1208 VanDerWaalsContact O-CG 3.24Å; Q1204-D1208 PolarHBondContact O-N 2.83Å; S1205-D1208 PolarHBondContact O-N 3.24Å; D1208-M1211 PolarHBondContact O-N 3.03Å; D1208-R1212 WeakPolarHBondContact O-CG 3.49Å; D1208-R1212 PolarHBondContact O-N 3.03Å |
| 1209 | Q | 82 | Confident | 70.6 | Confident | 84 Ų | 84 | 108.4 Ų | 108.4 | 39% | 0.393 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 173.1 | -169.8 | 57.1 | 39.6 | 0 | 0 | 111.6 | S1205 R1207 M1211 R1212 D1213 | S1205-Q1209 VanDerWaalsContact O-CB 3.31Å; S1205-Q1209 WeakPolarHBondContact O-CB 3.21Å; S1205-Q1209 PolarHBondContact O-N 3.15Å; R1207-Q1209 VanDerWaalsContact C-N 3.34Å; Q1209-M1211 VanDerWaalsContact C-N 3.31Å; Q1209-M1211 PolarHBondContact O-N 3.01Å; Q1209-R1212 WeakPolarHBondContact O-CB 3.43Å; Q1209-R1212 PolarHBondContact O-N 3.49Å; Q1209-R1212 VanDerWaalsContact O-N 3.12Å; Q1209-D1213 PolarHBondContact NE2-OD1 3.48Å; Q1209-D1213 PolarHBondContact O-N 3.48Å |
| 1210 | A | 79 | Confident | 72 | Confident | 52 Ų | 52 | 110 Ų | 110 | 43% | 0.43 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -61.3 | -38.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | R1206 R1207 D1213 M1214 | R1206-A1210 VanDerWaalsContact O-CB 3.32Å; R1206-A1210 WeakPolarHBondContact O-CB 3.37Å; R1206-A1210 PolarHBondContact O-N 2.91Å; R1207-A1210 PolarHBondContact O-N 3.03Å; A1210-D1213 PolarHBondContact O-N 3.27Å; A1210-M1214 WeakPolarHBondContact O-CB 3.42Å; A1210-M1214 VanDerWaalsContact O-CG 3.24Å; A1210-M1214 WeakPolarHBondContact O-CG 3.47Å; A1210-M1214 PolarHBondContact O-N 3.36Å |
| 1211 | M | 72.4 | Confident | 73.2 | Confident | 127 Ų | 127 | 109.3 Ų | 109.3 | 63% | 0.626 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -62.5 | -42.7 | 172.6 | -89.2 | -177.5 | 4.3 | 0 | 0 | 112.1 | R1207 D1208 Q1209 A1215 | R1207-M1211 WeakPolarHBondContact O-CB 3.27Å; R1207-M1211 PolarHBondContact O-N 3.39Å; D1208-M1211 PolarHBondContact O-N 3.03Å; Q1209-M1211 VanDerWaalsContact C-N 3.31Å; Q1209-M1211 PolarHBondContact O-N 3.01Å; M1211-A1215 WeakPolarHBondContact O-CB 3.34Å; M1211-A1215 PolarHBondContact O-N 3.39Å |
| 1212 | R | 77 | Confident | 74.3 | Confident | 151 Ų | 151 | 106.5 Ų | 106.5 | 57% | 0.57 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.1 | -43.1 | 176.2 | -78.9 | -171.9 | -82.1 | -134.6 | -2.4 | 111.8 | D1208 Q1209 A1215 R1216 | D1208-R1212 WeakPolarHBondContact O-CG 3.49Å; D1208-R1212 PolarHBondContact O-N 3.03Å; Q1209-R1212 WeakPolarHBondContact O-CB 3.43Å; Q1209-R1212 PolarHBondContact O-N 3.49Å; Q1209-R1212 VanDerWaalsContact O-N 3.12Å; R1212-A1215 PolarHBondContact O-N 3.02Å; R1212-R1216 WeakPolarHBondContact O-CB 3.47Å; R1212-R1216 PolarHBondContact O-N 2.95Å |
| 1213 | D | 81.6 | Confident | 75.1 | Confident | 71 Ų | 71 | 106.6 Ų | 106.6 | 38% | 0.38 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -68.9 | -39.8 | -180 | -65.4 | -21.4 | 0 | 0 | 0 | 111.5 | Q1209 A1210 R1216 L1217 | Q1209-D1213 PolarHBondContact NE2-OD1 3.48Å; Q1209-D1213 PolarHBondContact O-N 3.48Å; A1210-D1213 PolarHBondContact O-N 3.27Å; D1213-R1216 PolarHBondContact O-N 3.17Å; D1213-L1217 WeakPolarHBondContact O-CG 3.37Å; D1213-L1217 PolarHBondContact O-N 3.1Å |
| 1214 | M | 77.1 | Confident | 75.4 | Confident | 128 Ų | 128 | 105.9 Ų | 105.9 | 63% | 0.631 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -65.6 | -38.9 | 173.3 | -72.4 | -60.8 | -64.7 | 0 | 0 | 112.6 | A1210 R1216 L1217 R1218 | A1210-M1214 WeakPolarHBondContact O-CB 3.42Å; A1210-M1214 VanDerWaalsContact O-CG 3.24Å; A1210-M1214 WeakPolarHBondContact O-CG 3.47Å; A1210-M1214 PolarHBondContact O-N 3.36Å; M1214-R1216 VanDerWaalsContact C-N 3.34Å; M1214-L1217 PolarHBondContact O-N 3.41Å; M1214-L1217 HydrophobicContact SD-CD1 4.37Å; M1214-R1218 WeakPolarHBondContact O-CB 3.42Å; M1214-R1218 PolarHBondContact O-N 3.29Å |
| 1215 | A | 75.4 | Confident | 75.1 | Confident | 51 Ų | 51 | 107 Ų | 107 | 42% | 0.421 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -63.9 | -41.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | M1211 R1212 R1218 L1219 | M1211-A1215 WeakPolarHBondContact O-CB 3.34Å; M1211-A1215 PolarHBondContact O-N 3.39Å; R1212-A1215 PolarHBondContact O-N 3.02Å; A1215-R1218 PolarHBondContact O-N 3.36Å; A1215-L1219 WeakPolarHBondContact O-CG 3.48Å; A1215-L1219 PolarHBondContact O-N 3.11Å |
| 1216 | R | 75.4 | Confident | 74.4 | Confident | 176 Ų | 176 | 107.6 Ų | 107.6 | 66% | 0.664 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.9 | -43.9 | 176.9 | -145.5 | -178.6 | -162.8 | 117.4 | 1.8 | 111.9 | R1212 D1213 M1214 L1219 L1220 | R1212-R1216 WeakPolarHBondContact O-CB 3.47Å; R1212-R1216 PolarHBondContact O-N 2.95Å; D1213-R1216 PolarHBondContact O-N 3.17Å; M1214-R1216 VanDerWaalsContact C-N 3.34Å; R1216-L1219 PolarHBondContact O-N 3.41Å; R1216-L1220 WeakPolarHBondContact O-CB 3.39Å; R1216-L1220 WeakPolarHBondContact O-CG 3.39Å; R1216-L1220 PolarHBondContact O-N 2.98Å |
| 1217 | L | 73 | Confident | 73.6 | Confident | 107 Ų | 107 | 104.2 Ų | 104.2 | 56% | 0.56 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -64.4 | -39.7 | 175.3 | -74.4 | 171.3 | 0 | 0 | 0 | 112 | D1213 M1214 L1220 N1221 | D1213-L1217 WeakPolarHBondContact O-CG 3.37Å; D1213-L1217 PolarHBondContact O-N 3.1Å; M1214-L1217 PolarHBondContact O-N 3.41Å; M1214-L1217 HydrophobicContact SD-CD1 4.37Å; L1217-L1220 PolarHBondContact O-N 3.46Å; L1217-N1221 WeakPolarHBondContact O-CB 3.38Å; L1217-N1221 PolarHBondContact O-N 3.06Å |
| 1218 | R | 77.7 | Confident | 72.7 | Confident | 187 Ų | 187 | 104.2 Ų | 104.2 | 71% | 0.706 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -63.4 | -44.4 | 177 | -166.5 | 178.5 | -170.7 | 153.9 | 2.8 | 111.7 | M1214 A1215 N1221 E1222 | M1214-R1218 WeakPolarHBondContact O-CB 3.42Å; M1214-R1218 PolarHBondContact O-N 3.29Å; A1215-R1218 PolarHBondContact O-N 3.36Å; R1218-N1221 PolarHBondContact O-N 3.14Å; R1218-E1222 PolarHBondContact O-N 3.15Å |
| 1219 | L | 75.4 | Confident | 71.3 | Confident | 106 Ų | 106 | 107 Ų | 107 | 56% | 0.555 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -65 | -43.3 | 176.3 | -73.3 | 169.9 | 0 | 0 | 0 | 111.9 | A1215 R1216 N1221 E1222 V1223 | A1215-L1219 WeakPolarHBondContact O-CG 3.48Å; A1215-L1219 PolarHBondContact O-N 3.11Å; R1216-L1219 PolarHBondContact O-N 3.41Å; L1219-N1221 VanDerWaalsContact C-N 3.28Å; L1219-N1221 PolarHBondContact O-N 3.42Å; L1219-E1222 PolarHBondContact O-N 3.36Å; L1219-V1223 WeakPolarHBondContact O-CG2 3.39Å; L1219-V1223 PolarHBondContact O-N 2.88Å |
| 1220 | L | 74.3 | Confident | 69.4 | Low | 108 Ų | 108 | 110 Ų | 110 | 57% | 0.565 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -59.3 | -41.6 | 174 | -79 | 166.1 | 0 | 0 | 0 | 111.3 | R1216 L1217 V1223 D1224 | R1216-L1220 WeakPolarHBondContact O-CB 3.39Å; R1216-L1220 WeakPolarHBondContact O-CG 3.39Å; R1216-L1220 PolarHBondContact O-N 2.98Å; L1217-L1220 PolarHBondContact O-N 3.46Å; L1220-V1223 PolarHBondContact O-N 3.37Å; L1220-D1224 WeakPolarHBondContact O-CB 3.23Å; L1220-D1224 PolarHBondContact O-N 3.44Å |
| 1221 | N | 72.1 | Confident | 67.8 | Low | 94 Ų | 94 | 116.8 Ų | 116.8 | 50% | 0.503 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -69.8 | -33.9 | 179.1 | -139.7 | 5.3 | 0 | 0 | 0 | 112.5 | L1217 R1218 L1219 Q1225 | L1217-N1221 WeakPolarHBondContact O-CB 3.38Å; L1217-N1221 PolarHBondContact O-N 3.06Å; R1218-N1221 PolarHBondContact O-N 3.14Å; L1219-N1221 VanDerWaalsContact C-N 3.28Å; L1219-N1221 PolarHBondContact O-N 3.42Å; N1221-Q1225 WeakPolarHBondContact O-CB 3.35Å; N1221-Q1225 WeakPolarHBondContact O-CG 3.37Å; N1221-Q1225 PolarHBondContact O-N 3.14Å |
| 1222 | E | 74.7 | Confident | 66.3 | Low | 100 Ų | 100 | 117.6 Ų | 117.6 | 47% | 0.467 | 55% | 0.549 | S | S | . | . | H | α-helix | trans | -65.9 | -44.5 | 170.6 | -90.1 | 178.2 | -179.8 | 0 | 0 | 111.6 | R1218 L1219 D1224 Q1225 L1226 | R1218-E1222 PolarHBondContact O-N 3.15Å; L1219-E1222 PolarHBondContact O-N 3.36Å; E1222-D1224 VanDerWaalsContact C-N 3.33Å; E1222-D1224 PolarHBondContact O-N 3.38Å; E1222-Q1225 PolarHBondContact O-N 3.08Å; E1222-L1226 WeakPolarHBondContact O-CB 3.5Å; E1222-L1226 VanDerWaalsContact O-CG 3.25Å; E1222-L1226 WeakPolarHBondContact O-CG 3.29Å; E1222-L1226 PolarHBondContact O-N 2.9Å |
| 1223 | V | 74.1 | Confident | 64 | Low | 81 Ų | 81 | 117.6 Ų | 117.6 | 49% | 0.491 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.5 | -42.9 | 175.3 | 172.4 | 0 | 0 | 0 | 0 | 110.7 | L1219 L1220 L1226 E1227 | L1219-V1223 WeakPolarHBondContact O-CG2 3.39Å; L1219-V1223 PolarHBondContact O-N 2.88Å; L1220-V1223 PolarHBondContact O-N 3.37Å; V1223-L1226 PolarHBondContact O-N 2.92Å; V1223-E1227 PolarHBondContact O-N 3.48Å |
| 1224 | D | 71.1 | Confident | 61.4 | Low | 64 Ų | 64 | 119 Ų | 119 | 34% | 0.342 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -66.9 | -37.2 | 178.2 | -138.7 | 50.7 | 0 | 0 | 0 | 111.7 | L1220 E1222 R1228 | L1220-D1224 WeakPolarHBondContact O-CB 3.23Å; L1220-D1224 PolarHBondContact O-N 3.44Å; E1222-D1224 VanDerWaalsContact C-N 3.33Å; E1222-D1224 PolarHBondContact O-N 3.38Å; D1224-R1228 WeakPolarHBondContact O-CB 3.26Å; D1224-R1228 WeakPolarHBondContact O-CG 3.5Å; D1224-R1228 PolarHBondContact O-N 3.09Å; D1224-R1228 IonicContact OD2-CZ 2.72Å; D1224-R1228 IonicContact OD2-NE 3.99Å; D1224-R1228 IonicContact OD2-NH2 3.6Å; D1224-R1228 PolarHBondContact OD2-NH2 3.22Å |
| 1225 | Q | 63.3 | Low | 59.2 | Low | 106 Ų | 106 | 118.6 Ų | 118.6 | 50% | 0.495 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -66.1 | -42.8 | 172.2 | -81.2 | -175.6 | 17.5 | 0 | 0 | 112 | N1221 E1222 R1228 Q1229 | N1221-Q1225 WeakPolarHBondContact O-CB 3.35Å; N1221-Q1225 WeakPolarHBondContact O-CG 3.37Å; N1221-Q1225 PolarHBondContact O-N 3.14Å; E1222-Q1225 PolarHBondContact O-N 3.08Å; Q1225-R1228 PolarHBondContact O-N 3.07Å; Q1225-Q1229 WeakPolarHBondContact O-CG 3.13Å; Q1225-Q1229 PolarHBondContact O-N 3.11Å |
| 1226 | L | 54.4 | Low | 56.9 | Low | 85 Ų | 85 | 124.2 Ų | 124.2 | 45% | 0.445 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -64.5 | -45.7 | 176.7 | -72.8 | 169.1 | 0 | 0 | 0 | 110.4 | E1222 V1223 R1228 Q1229 F1230 | E1222-L1226 WeakPolarHBondContact O-CB 3.5Å; E1222-L1226 VanDerWaalsContact O-CG 3.25Å; E1222-L1226 WeakPolarHBondContact O-CG 3.29Å; E1222-L1226 PolarHBondContact O-N 2.9Å; V1223-L1226 PolarHBondContact O-N 2.92Å; L1226-R1228 VanDerWaalsContact C-N 3.31Å; L1226-R1228 PolarHBondContact O-N 2.7Å; L1226-Q1229 WeakPolarHBondContact O-CB 3.46Å; L1226-Q1229 PolarHBondContact O-N 3.38Å; L1226-Q1229 VanDerWaalsContact O-N 3.08Å; L1226-F1230 WeakPolarHBondContact O-CD2 3.35Å; L1226-F1230 PolarHBondContact O-N 3Å |
| 1227 | E | 61.2 | Low | 54.5 | Low | 107 Ų | 107 | 121.4 Ų | 121.4 | 50% | 0.5 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -57.6 | -42.6 | 173.6 | -87.7 | -161.2 | 166.2 | 0 | 0 | 112 | V1223 Q1229 F1230 R1231 | V1223-E1227 PolarHBondContact O-N 3.48Å; E1227-Q1229 VanDerWaalsContact C-N 3.33Å; E1227-Q1229 PolarHBondContact O-N 3.07Å; E1227-F1230 PolarHBondContact O-N 3.32Å; E1227-R1231 WeakPolarHBondContact O-CB 3.35Å; E1227-R1231 PolarHBondContact O-N 2.97Å |
| 1228 | R | 58 | Low | 52.3 | Low | 147 Ų | 147 | 121.1 Ų | 121.1 | 56% | 0.555 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -64.7 | -36.5 | 175 | -72.7 | 172 | -163.1 | 175.5 | 8.7 | 112.4 | D1224 Q1225 L1226 N1232 | D1224-R1228 WeakPolarHBondContact O-CB 3.26Å; D1224-R1228 WeakPolarHBondContact O-CG 3.5Å; D1224-R1228 PolarHBondContact O-N 3.09Å; D1224-R1228 IonicContact OD2-CZ 2.72Å; D1224-R1228 IonicContact OD2-NE 3.99Å; D1224-R1228 IonicContact OD2-NH2 3.6Å; D1224-R1228 PolarHBondContact OD2-NH2 3.22Å; Q1225-R1228 PolarHBondContact O-N 3.07Å; L1226-R1228 VanDerWaalsContact C-N 3.31Å; L1226-R1228 PolarHBondContact O-N 2.7Å; R1228-N1232 PolarHBondContact O-N 2.98Å |
| 1229 | Q | 48.5 | Very low | 50 | Low | 114 Ų | 114 | 119.3 Ų | 119.3 | 53% | 0.533 | 62% | 0.624 | S | S | . | * | H | α-helix | trans | -65.9 | -41.4 | 175 | -76.2 | 178.7 | -6.7 | 0 | 0 | 111.5 | Q1225 L1226 E1227 N1232 Q1233 | Q1225-Q1229 WeakPolarHBondContact O-CG 3.13Å; Q1225-Q1229 PolarHBondContact O-N 3.11Å; L1226-Q1229 WeakPolarHBondContact O-CB 3.46Å; L1226-Q1229 PolarHBondContact O-N 3.38Å; L1226-Q1229 VanDerWaalsContact O-N 3.08Å; E1227-Q1229 VanDerWaalsContact C-N 3.33Å; E1227-Q1229 PolarHBondContact O-N 3.07Å; Q1229-N1232 PolarHBondContact O-N 2.91Å; Q1229-Q1233 PolarHBondContact O-N 3.2Å |
| 1230 | F | 41.8 | Very low | 47.8 | Very low | 149 Ų | 149 | 123 Ų | 123 | 65% | 0.654 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -71 | -35.4 | 176.9 | -79.1 | -70.7 | 0 | 0 | 0 | 112.6 | L1226 E1227 N1232 Q1233 | L1226-F1230 WeakPolarHBondContact O-CD2 3.35Å; L1226-F1230 PolarHBondContact O-N 3Å; E1227-F1230 PolarHBondContact O-N 3.32Å; F1230-N1232 VanDerWaalsContact C-N 3.25Å; F1230-N1232 PolarHBondContact O-N 3.36Å; F1230-Q1233 PolarHBondContact O-N 3.2Å |
| 1231 | R | 45.7 | Very low | 45.4 | Very low | 194 Ų | 194 | 129.3 Ų | 129.3 | 73% | 0.732 | 65% | 0.652 | S | S | * | * | H | α-helix | trans | -67.1 | -26.2 | 178.3 | -138.9 | -178.4 | -82.5 | -132.7 | 3.5 | 113 | E1227 | E1227-R1231 WeakPolarHBondContact O-CB 3.35Å; E1227-R1231 PolarHBondContact O-N 2.97Å |
| 1232 | N | 40.1 | Very low | 43.4 | Very low | 143 Ų | 143 | 130.4 Ų | 130.4 | 77% | 0.765 | 67% | 0.667 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.2 | 3.2 | 178.8 | -68.5 | -16.7 | 0 | 0 | 0 | 114.2 | R1228 Q1229 F1230 | R1228-N1232 PolarHBondContact O-N 2.98Å; Q1229-N1232 PolarHBondContact O-N 2.91Å; F1230-N1232 VanDerWaalsContact C-N 3.25Å; F1230-N1232 PolarHBondContact O-N 3.36Å |
| 1233 | Q | 28.4 | Very low | 40.9 | Very low | 152 Ų | 152 | 131.2 Ų | 131.2 | 71% | 0.71 | 68% | 0.679 | S | S | * | * | trans | -120 | 62.8 | 174.2 | -68.4 | -174.1 | 12 | 0 | 0 | 110.5 | Q1229 F1230 P1235 | Q1229-Q1233 PolarHBondContact O-N 3.2Å; F1230-Q1233 PolarHBondContact O-N 3.2Å; Q1233-P1235 WeakPolarHBondContact O-CD 3.37Å | ||
| 1234 | S | 28.1 | Very low | 38.5 | Very low | 99 Ų | 99 | 132.3 Ų | 132.3 | 69% | 0.692 | 69% | 0.69 | S | S | * | * | trans | -95.7 | 102.7 | 157.6 | -71.3 | 0 | 0 | 0 | 0 | 108.2 | L1236 | S1234-L1236 PolarHBondContact O-N 3.08Š| ||
| 1235 | P | 30.1 | Very low | 36.4 | Very low | 120 Ų | 120 | 136.2 Ų | 136.2 | 78% | 0.779 | 72% | 0.717 | S | S | * | * | trans | -83.9 | 80 | -172.7 | 33.7 | -32 | 0 | 0 | 0 | 109.7 | Q1233 | Q1233-P1235 WeakPolarHBondContact O-CD 3.37Š| ||
| 1236 | L | 27 | Very low | 34.5 | Very low | 169 Ų | 169 | 140.4 Ų | 140.4 | 89% | 0.885 | 74% | 0.736 | S | S | * | * | trans | -159.9 | 47.3 | 169.5 | -101.5 | 135.7 | 0 | 0 | 0 | 111.9 | S1234 | S1234-L1236 PolarHBondContact O-N 3.08Š| ||
| 1237 | S | 26.3 | Very low | 33.2 | Very low | 117 Ų | 117 | 141.7 Ų | 141.7 | 82% | 0.818 | 75% | 0.752 | S | S | * | * | trans | -169.4 | 76.5 | 161.8 | 52.7 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1238 | S | 26.3 | Very low | 31.5 | Very low | 102 Ų | 102 | 141.7 Ų | 141.7 | 71% | 0.713 | 76% | 0.764 | S | S | * | * | trans | -157.4 | 79.6 | 152.2 | 66.4 | 0 | 0 | 0 | 0 | 110.5 | K1240 | S1238-K1240 PolarHBondContact O-N 3.33Š| ||
| 1239 | T | 28.9 | Very low | 29.8 | Very low | 148 Ų | 148 | 141.6 Ų | 141.6 | 91% | 0.908 | 77% | 0.771 | S | S | * | * | trans | -55.6 | 101.8 | 158.3 | -56.8 | 0 | 0 | 0 | 0 | 107.4 | R1241 | T1239-R1241 PolarHBondContact O-N 3.24Š| ||
| 1240 | K | 29.2 | Very low | 28.7 | Very low | 184 Ų | 184 | 144.1 Ų | 144.1 | 80% | 0.8 | 78% | 0.783 | S | S | * | * | trans | -67.8 | 115.3 | 178.2 | -86.4 | -179 | 176.6 | 176 | 0 | 109.1 | S1238 S1242 | S1238-K1240 PolarHBondContact O-N 3.33Å; K1240-S1242 PolarHBondContact O-N 3.46Å; K1240-S1242 VanDerWaalsContact O-N 3.15Å | ||
| 1241 | R | 24.6 | Very low | 27.9 | Very low | 241 Ų | 241 | 144.3 Ų | 144.3 | 91% | 0.909 | 79% | 0.791 | S | S | * | * | trans | -61.5 | 96.7 | 168.4 | -161.7 | 180 | -151.8 | 176.9 | 4.6 | 109.1 | T1239 | T1239-R1241 PolarHBondContact O-N 3.24Š| ||
| 1242 | S | 28.7 | Very low | 27 | Very low | 116 Ų | 116 | 140.9 Ų | 140.9 | 81% | 0.811 | 80% | 0.797 | S | S | * | * | trans | -99.4 | 115.9 | 166.3 | 39.7 | 0 | 0 | 0 | 0 | 109.2 | K1240 | K1240-S1242 PolarHBondContact O-N 3.46Å; K1240-S1242 VanDerWaalsContact O-N 3.15Å | ||
| 1243 | T | 23.5 | Very low | 26.4 | Very low | 118 Ų | 118 | 141.7 Ų | 141.7 | 72% | 0.724 | 80% | 0.801 | S | S | * | * | trans | -75.6 | 154.5 | 179.7 | 42.6 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 1244 | S | 23.4 | Very low | 26.3 | Very low | 103 Ų | 103 | 139.5 Ų | 139.5 | 72% | 0.72 | 80% | 0.803 | S | S | * | * | trans | 66 | 102.9 | 155.2 | 62.8 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1245 | T | 26.7 | Very low | 26.2 | Very low | 147 Ų | 147 | 142.9 Ų | 142.9 | 90% | 0.902 | 81% | 0.813 | S | S | * | * | -174.5 | 130.2 | 94.1 | 7.4 | 0 | 0 | 0 | 0 | 109.8 | |||||
| 1246 | E | 23.8 | Very low | 26.2 | Very low | 194 Ų | 194 | 144.3 Ų | 144.3 | 91% | 0.907 | 81% | 0.812 | S | S | * | * | trans | -77.7 | 130.3 | 177.9 | -67.8 | 169.7 | 144.5 | 0 | 0 | 111 | ||||
| 1247 | S | 27.6 | Very low | 26.3 | Very low | 112 Ų | 112 | 144.7 Ų | 144.7 | 78% | 0.783 | 81% | 0.81 | S | S | * | * | trans | 174.8 | 113.8 | 132.1 | 57.4 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1248 | S | 24 | Very low | 26.5 | Very low | 106 Ų | 106 | 146.6 Ų | 146.6 | 74% | 0.741 | 81% | 0.811 | S | S | * | * | trans | 40.7 | 132.4 | 133.6 | -174.8 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1249 | M | 22.8 | Very low | 26.7 | Very low | 145 Ų | 145 | 150.6 Ų | 150.6 | 71% | 0.714 | 82% | 0.816 | S | S | * | * | cis | -174.3 | 153.7 | 7.1 | -110.2 | 173.4 | 87.2 | 0 | 0 | 106.9 | ||||
| 1250 | Q | 26.2 | Very low | 26.9 | Very low | 168 Ų | 168 | 150.1 Ų | 150.1 | 79% | 0.785 | 81% | 0.807 | S | S | * | * | trans | 78.2 | 102 | 148.8 | -71.2 | -179.1 | -11.7 | 0 | 0 | 121.7 | ||||
| 1251 | N | 25.4 | Very low | 27 | Very low | 153 Ų | 153 | 148.1 Ų | 148.1 | 82% | 0.818 | 80% | 0.804 | S | S | * | * | trans | -28.3 | 142.1 | 146.2 | -61.1 | -19.9 | 0 | 0 | 0 | 116.4 | ||||
| 1252 | S | 26.9 | Very low | 27.1 | Very low | 122 Ų | 122 | 144.1 Ų | 144.1 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | -157.7 | 136.5 | 128.4 | -2.7 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 1253 | D | 25.9 | Very low | 27.1 | Very low | 160 Ų | 160 | 145.8 Ų | 145.8 | 86% | 0.856 | 79% | 0.789 | S | S | * | * | trans | -65.8 | 142.9 | -167.7 | -57.4 | -70.2 | 0 | 0 | 0 | 115 | ||||
| 1254 | S | 26.6 | Very low | 27.7 | Very low | 106 Ų | 106 | 145.9 Ų | 145.9 | 74% | 0.741 | 79% | 0.785 | S | S | * | * | trans | -131.5 | 106.3 | 153.4 | 52.4 | 0 | 0 | 0 | 0 | 110.2 | I1256 | S1254-I1256 PolarHBondContact O-N 3.48Š| ||
| 1255 | N | 26.9 | Very low | 28.3 | Very low | 169 Ų | 169 | 145.9 Ų | 145.9 | 90% | 0.904 | 78% | 0.776 | S | S | * | * | trans | -56.2 | 107.4 | 167.9 | -107 | -28.6 | 0 | 0 | 0 | 109.7 | ||||
| 1256 | I | 28.8 | Very low | 28.9 | Very low | 150 Ų | 150 | 142.4 Ų | 142.4 | 77% | 0.769 | 75% | 0.752 | S | S | * | * | trans | -107.4 | 117.4 | 163.9 | -64.2 | -179.5 | 0 | 0 | 0 | 107.8 | S1254 N1258 | S1254-I1256 PolarHBondContact O-N 3.48Å; I1256-N1258 PolarHBondContact O-N 2.83Å | ||
| 1257 | Q | 29.6 | Very low | 30.1 | Very low | 177 Ų | 177 | 139.1 Ų | 139.1 | 83% | 0.827 | 74% | 0.735 | S | S | * | * | trans | -66.4 | 121.8 | -172.7 | -71.2 | 165 | -20.1 | 0 | 0 | 112.1 | K1259 | Q1257-K1259 PolarHBondContact O-N 2.97Å; Q1257-K1259 VanDerWaalsContact O-N 3.1Å | ||
| 1258 | N | 30.5 | Very low | 31.5 | Very low | 157 Ų | 157 | 136.6 Ų | 136.6 | 84% | 0.84 | 72% | 0.717 | S | S | * | * | trans | -70.1 | 89.1 | 169.4 | -78.7 | -32.1 | 0 | 0 | 0 | 111.5 | I1256 | I1256-N1258 PolarHBondContact O-N 2.83Š| ||
| 1259 | K | 31 | Very low | 33.3 | Very low | 187 Ų | 187 | 134.8 Ų | 134.8 | 81% | 0.813 | 70% | 0.696 | S | S | * | * | trans | -123.8 | 2 | 169 | -88.1 | -166.3 | 175.4 | -175.3 | 0 | 117.1 | Q1257 | Q1257-K1259 PolarHBondContact O-N 2.97Å; Q1257-K1259 VanDerWaalsContact O-N 3.1Å | ||
| 1260 | N | 32.2 | Very low | 35.8 | Very low | 138 Ų | 138 | 129.2 Ų | 129.2 | 74% | 0.738 | 67% | 0.669 | S | S | * | * | S | Bend | trans | -113.7 | -2.5 | -176.8 | -67.9 | -7.3 | 0 | 0 | 0 | 115.7 | ||
| 1261 | L | 31.2 | Very low | 38.2 | Very low | 141 Ų | 141 | 121.2 Ų | 121.2 | 74% | 0.738 | 63% | 0.632 | S | S | * | * | H | α-helix | trans | -81.4 | -18.7 | -175.6 | -127.6 | 81.1 | 0 | 0 | 0 | 114.6 | ||
| 1262 | E | 27.2 | Very low | 40.9 | Very low | 157 Ų | 157 | 116.5 Ų | 116.5 | 73% | 0.734 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -87.1 | -20.1 | -174.5 | -150.3 | 168.9 | -161.3 | 0 | 0 | 112.9 | ||
| 1263 | F | 29.7 | Very low | 43.9 | Very low | 152 Ų | 152 | 112.4 Ų | 112.4 | 67% | 0.667 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -81 | -28.4 | -176.8 | -148.1 | -97.2 | 0 | 0 | 0 | 113.5 | ||
| 1264 | D | 36.3 | Very low | 47.2 | Very low | 120 Ų | 120 | 104.8 Ų | 104.8 | 64% | 0.642 | 54% | 0.536 | S | S | * | . | H | α-helix | trans | -82.7 | -25.8 | -177.9 | -85.2 | -25.7 | 0 | 0 | 0 | 114.3 | N1266 S1268 | D1264-N1266 VanDerWaalsContact C-N 3.3Å; D1264-N1266 PolarHBondContact O-N 2.88Å; D1264-S1268 PolarHBondContact O-OG 3.42Å |
| 1265 | I | 35.6 | Very low | 50.4 | Low | 102 Ų | 102 | 99.7 Ų | 99.7 | 52% | 0.523 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -68.5 | -33.4 | -178.8 | -60.3 | 173.6 | 0 | 0 | 0 | 110.6 | K1267 S1268 | I1265-K1267 PolarHBondContact O-N 3.07Å; I1265-S1268 PolarHBondContact O-OG 3.43Å |
| 1266 | N | 39.2 | Very low | 53.5 | Low | 75 Ų | 75 | 91.7 Ų | 91.7 | 40% | 0.401 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -75.3 | -24.1 | -175.4 | -69.1 | -23 | 0 | 0 | 0 | 114 | D1264 | D1264-N1266 VanDerWaalsContact C-N 3.3Å; D1264-N1266 PolarHBondContact O-N 2.88Å |
| 1267 | K | 47.8 | Very low | 56.5 | Low | 124 Ų | 124 | 84.6 Ų | 84.6 | 54% | 0.539 | 42% | 0.421 | S | S | . | . | H | α-helix | trans | -87.8 | -24.2 | 176.6 | -74.6 | -170.5 | 176.8 | -169 | 0 | 113.4 | I1265 | I1265-K1267 PolarHBondContact O-N 3.07Å |
| 1268 | S | 57.1 | Low | 59.3 | Low | 60 Ų | 60 | 76.1 Ų | 76.1 | 42% | 0.42 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -94 | -7.6 | -173.3 | 55.3 | 0 | 0 | 0 | 0 | 114.9 | D1264 I1265 L1270 I1514 | D1264-S1268 PolarHBondContact O-OG 3.42Å; I1265-S1268 PolarHBondContact O-OG 3.43Å; S1268-L1270 PolarHBondContact O-N 3.03Å; S1268-I1514 WeakPolarHBondContact O-CD1 3.12Å |
| 1269 | F | 62.2 | Low | 62.1 | Low | 67 Ų | 67 | 68.8 Ų | 68.8 | 29% | 0.294 | 34% | 0.342 | S | S | . | . | trans | -71.5 | 128.4 | -178 | -169.5 | -92.6 | 0 | 0 | 0 | 112.5 | T1467 A1468 R1510 | F1269-T1467 HydrophobicContact CB-CG2 4.41Å; F1269-T1467 VanDerWaalsContact CE1-O 3.28Å; F1269-T1467 WeakPolarHBondContact CE1-O 3.27Å; F1269-T1467 HydrophobicContact CG-CG2 4.33Å; F1269-A1468 WeakPolarHBondContact CE1-O 3.19Å; F1269-R1510 PolarHBondContact O-NH1 3.27Å | ||
| 1270 | L | 75.5 | Confident | 64.9 | Low | 28 Ų | 28 | 59.9 Ų | 59.9 | 15% | 0.147 | 30% | 0.303 | C | S | . | . | trans | -119.9 | 124.8 | 172.8 | -65.3 | 169.8 | 0 | 0 | 0 | 108.9 | S1268 F1297 F1507 R1510 W1511 I1514 | S1268-L1270 PolarHBondContact O-N 3.03Å; L1270-F1297 HydrophobicContact CB-CE1 4.04Å; L1270-F1297 HydrophobicContact CD1-CE1 4.39Å; L1270-F1297 HydrophobicContact CD1-CZ 4.11Å; L1270-F1507 HydrophobicContact CD2-CD2 4.45Å; L1270-F1507 HydrophobicContact CD2-CE2 3.88Å; L1270-F1507 HydrophobicContact CD2-CZ 4.06Å; L1270-R1510 HydrophobicContact CD2-CB 4.49Å; L1270-W1511 HydrophobicContact CD1-CB 4.08Å; L1270-W1511 HydrophobicContact CD1-CG 4.28Å; L1270-W1511 HydrophobicContact CD2-CB 4.46Å; L1270-I1514 HydrophobicContact CD1-CD1 3.7Å; L1270-I1514 HydrophobicContact CD2-CD1 4.05Å; L1270-I1514 HydrophobicContact CG-CD1 3.7Å | ||
| 1271 | S | 76.9 | Confident | 67.8 | Low | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.268 | C | S | . | . | trans | -62 | 126.7 | 178.4 | -53.9 | 0 | 0 | 0 | 0 | 110.7 | F1273 A1468 P1469 T1471 | S1271-F1273 PolarHBondContact O-N 3.48Å; S1271-A1468 WeakPolarHBondContact CB-O 3.49Å; S1271-A1468 PolarHBondContact OG-O 3.42Å; S1271-P1469 WeakPolarHBondContact CB-O 3.31Å; S1271-T1471 WeakPolarHBondContact CB-OG1 3.33Å; S1271-T1471 PolarHBondContact OG-OG1 2.93Å | ||
| 1272 | P | 81.8 | Confident | 70.5 | Confident | 55 Ų | 55 | 47.1 Ų | 47.1 | 36% | 0.357 | 24% | 0.236 | S | C | . | . | S | Bend | trans | -67.6 | -25.4 | 178.2 | 23 | -30.9 | 0 | 0 | 0 | 113.1 | F1297 I1298 P1469 | P1272-F1297 WeakPolarHBondContact O-CA 3.27Å; P1272-I1298 PolarHBondContact O-N 2.8Å; P1272-P1469 WeakPolarHBondContact CD-O 3.48Å |
| 1273 | F | 90.2 | Very high | 73.2 | Confident | 35 Ų | 35 | 42 Ų | 42 | 15% | 0.154 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106 | 124.4 | 178.2 | -65.9 | -88.4 | 0 | 0 | 0 | 110.8 | S1271 I1298 I1300 L1404 P1469 V1470 T1471 | S1271-F1273 PolarHBondContact O-N 3.48Å; F1273-I1298 HydrophobicContact CD1-CB 3.94Å; F1273-I1298 HydrophobicContact CD1-CD1 4.36Å; F1273-I1298 HydrophobicContact CD1-CG2 4.18Å; F1273-I1298 HydrophobicContact CE1-CB 4.1Å; F1273-I1298 HydrophobicContact CE1-CD1 3.66Å; F1273-I1298 HydrophobicContact CE1-CG1 4.44Å; F1273-I1298 HydrophobicContact CE1-CG2 4.25Å; F1273-I1298 HydrophobicContact CZ-CD1 4.03Å; F1273-I1300 HydrophobicContact CB-CD1 4.17Å; F1273-I1300 HydrophobicContact CD1-CD1 3.84Å; F1273-I1300 HydrophobicContact CG-CD1 4.45Å; F1273-L1404 HydrophobicContact CD2-CD1 3.35Å; F1273-L1404 HydrophobicContact CD2-CD2 4.29Å; F1273-L1404 HydrophobicContact CD2-CG 4.4Å; F1273-L1404 HydrophobicContact CE2-CD1 3.46Å; F1273-L1404 VanDerWaalsContact CE2-CD1 3.46Å; F1273-L1404 HydrophobicContact CE2-CD2 3.48Å; F1273-L1404 VanDerWaalsContact CE2-CD2 3.48Å; F1273-L1404 HydrophobicContact CE2-CG 4.05Å; F1273-L1404 HydrophobicContact CG-CD1 4.16Å; F1273-L1404 HydrophobicContact CZ-CD1 4.31Å; F1273-L1404 HydrophobicContact CZ-CD2 3.91Å; F1273-P1469 PolarHBondContact N-O 3.16Å; F1273-V1470 HydrophobicContact CB-CG1 4.45Å; F1273-V1470 HydrophobicContact CB-CG2 4.09Å; F1273-V1470 WeakPolarHBondContact O-CA 3.44Å; F1273-T1471 PolarHBondContact O-N 3.41Å |
| 1274 | L | 94 | Very high | 75.9 | Confident | 0 Ų | 0 | 35.5 Ų | 35.5 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.7 | 116 | -177.3 | -58.8 | 177 | 0 | 0 | 0 | 109.5 | L1291 F1297 I1298 L1299 I1300 T1471 L1473 F1507 | L1274-L1291 HydrophobicContact CD1-CD1 4.35Å; L1274-L1291 HydrophobicContact CD1-CD2 4.48Å; L1274-F1297 HydrophobicContact CD1-CB 3.51Å; L1274-F1297 HydrophobicContact CD1-CD1 3.97Å; L1274-F1297 HydrophobicContact CD1-CD2 4.05Å; L1274-F1297 HydrophobicContact CD1-CG 3.57Å; L1274-F1297 HydrophobicContact CG-CB 4.04Å; L1274-F1297 HydrophobicContact CG-CD1 4.4Å; L1274-F1297 HydrophobicContact CG-CG 4.32Å; L1274-I1298 PolarHBondContact N-O 2.99Å; L1274-L1299 HydrophobicContact CB-CG 4.26Å; L1274-L1299 HydrophobicContact CD1-CD1 4.16Å; L1274-L1299 CarbonylContact O-C 3.5Å; L1274-L1299 WeakPolarHBondContact O-CA 3.37Å; L1274-I1300 PolarHBondContact O-N 3.13Å; L1274-T1471 CarbonylContact C-O 3.48Å; L1274-T1471 WeakPolarHBondContact CA-O 3.48Å; L1274-L1473 HydrophobicContact CB-CD1 4.19Å; L1274-L1473 HydrophobicContact CD1-CD1 4.06Å; L1274-L1473 HydrophobicContact CD2-CD1 4.38Å; L1274-L1473 HydrophobicContact CD2-CG 4.45Å; L1274-L1473 HydrophobicContact CG-CD1 4.44Å; L1274-F1507 HydrophobicContact CD1-CD1 4.49Å; L1274-F1507 HydrophobicContact CD1-CE1 3.66Å; L1274-F1507 HydrophobicContact CD1-CZ 3.73Å; L1274-F1507 HydrophobicContact CD2-CD2 4.34Å; L1274-F1507 HydrophobicContact CD2-CE1 4.15Å; L1274-F1507 HydrophobicContact CD2-CE2 3.6Å; L1274-F1507 HydrophobicContact CD2-CZ 3.5Å; L1274-F1507 VanDerWaalsContact CD2-CZ 3.5Å; L1274-F1507 HydrophobicContact CG-CZ 4.22Å |
| 1275 | V | 93.9 | Very high | 78.5 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 121.6 | 175.2 | 180 | 0 | 0 | 0 | 0 | 108.2 | I1300 P1302 I1393 A1397 V1470 T1471 I1472 L1473 | V1275-I1300 WeakPolarHBondContact CA-O 3.32Å; V1275-I1300 HydrophobicContact CG2-CB 4.17Å; V1275-I1300 HydrophobicContact CG2-CD1 4.28Å; V1275-I1300 HydrophobicContact CG2-CG2 4.44Å; V1275-P1302 HydrophobicContact CG1-CG 3.47Å; V1275-P1302 VanDerWaalsContact CG1-CG 3.47Å; V1275-I1393 HydrophobicContact CG1-CG2 4.05Å; V1275-A1397 HydrophobicContact CB-CB 4.4Å; V1275-A1397 HydrophobicContact CG2-CB 3.9Å; V1275-V1470 HydrophobicContact CG2-CG1 3.83Å; V1275-T1471 PolarHBondContact N-O 3.48Å; V1275-I1472 HydrophobicContact CB-CG1 4.12Å; V1275-I1472 HydrophobicContact CG1-CG1 4.45Å; V1275-I1472 CarbonylContact O-C 3.51Å; V1275-I1472 VanDerWaalsContact O-CA 3.28Å; V1275-I1472 WeakPolarHBondContact O-CA 3.46Å; V1275-L1473 PolarHBondContact O-N 2.7Å |
| 1276 | I | 92.9 | Very high | 81 | Confident | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 17% | 0.166 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 143.2 | -175 | 60.8 | 176.6 | 0 | 0 | 0 | 112.5 | C1280 L1281 V1288 L1299 I1300 I1301 P1302 V1305 L1473 | I1276-C1280 HydrophobicContact CB-CB 4.16Å; I1276-L1281 HydrophobicContact CD1-CD1 3.83Å; I1276-L1281 HydrophobicContact CD1-CD2 3.78Å; I1276-L1281 HydrophobicContact CD1-CG 3.71Å; I1276-V1288 HydrophobicContact CD1-CG1 4.33Å; I1276-L1299 HydrophobicContact CD1-CD2 4.42Å; I1276-L1299 HydrophobicContact CG2-CD2 3.98Å; I1276-L1299 HydrophobicContact CG2-CG 4.39Å; I1276-I1300 PolarHBondContact N-O 3.45Å; I1276-I1301 HydrophobicContact CD1-CD1 3.99Å; I1276-I1301 HydrophobicContact CD1-CG1 3.85Å; I1276-I1301 HydrophobicContact CG1-CG1 4.1Å; I1276-P1302 WeakPolarHBondContact O-CD 3.36Å; I1276-V1305 WeakPolarHBondContact O-CG2 3.31Å; I1276-L1473 HydrophobicContact CG2-CB 4.37Å; I1276-L1473 HydrophobicContact CG2-CD1 4.37Å |
| 1277 | D | 90.6 | Very high | 83.3 | Confident | 1 Ų | 1 | 28.4 Ų | 28.4 | 1% | 0.005 | 16% | 0.156 | C | C | . | . | P | Polyproline II helix | trans | -78 | 161.6 | 165.2 | 164.8 | 45 | 0 | 0 | 0 | 112.2 | Y1279 C1280 L1473 | D1277-Y1279 VanDerWaalsContact C-N 3.27Å; D1277-Y1279 PolarHBondContact O-N 3.49Å; D1277-Y1279 WeakPolarHBondContact OD2-CB 3.39Å; D1277-Y1279 WeakPolarHBondContact OD2-CD2 3.45Å; D1277-Y1279 PolarHBondContact OD2-N 3.49Å; D1277-Y1279 VanDerWaalsContact OD2-N 3.13Å; D1277-C1280 WeakPolarHBondContact O-CB 3.3Å; D1277-C1280 PolarHBondContact O-N 3.37Å; D1277-L1473 PolarHBondContact N-O 2.93Å; D1277-L1473 VanDerWaalsContact N-O 3.15Å |
| 1278 | A | 89.9 | Confident | 85.4 | Confident | 0 Ų | 0 | 22.5 Ų | 22.5 | 0% | 0 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -54.9 | -38.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | C1280 L1281 T1282 V1305 H1308 L1309 | A1278-C1280 VanDerWaalsContact C-N 3.29Å; A1278-C1280 PolarHBondContact O-N 2.9Å; A1278-L1281 WeakPolarHBondContact O-CB 3.37Å; A1278-L1281 PolarHBondContact O-N 3.33Å; A1278-T1282 PolarHBondContact O-N 2.92Å; A1278-V1305 HydrophobicContact CB-CG1 3.96Å; A1278-H1308 HydrophobicContact CB-CB 4.22Å; A1278-H1308 VanDerWaalsContact CB-ND1 3.29Å; A1278-H1308 WeakPolarHBondContact CB-ND1 3.43Å; A1278-L1309 HydrophobicContact CB-CD2 4.33Å; A1278-L1309 HydrophobicContact CB-CG 4.35Å |
| 1279 | Y | 89.5 | Confident | 86.9 | Confident | 3 Ų | 3 | 23.9 Ų | 23.9 | 1% | 0.012 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -74 | -19.8 | -178.9 | -63.6 | -69.4 | 0 | 0 | 0 | 113.4 | D1277 L1281 T1282 S1283 H1308 L1312 R1477 | D1277-Y1279 VanDerWaalsContact C-N 3.27Å; D1277-Y1279 PolarHBondContact O-N 3.49Å; D1277-Y1279 WeakPolarHBondContact OD2-CB 3.39Å; D1277-Y1279 WeakPolarHBondContact OD2-CD2 3.45Å; D1277-Y1279 PolarHBondContact OD2-N 3.49Å; D1277-Y1279 VanDerWaalsContact OD2-N 3.13Å; Y1279-L1281 PolarHBondContact O-N 2.73Å; Y1279-T1282 WeakPolarHBondContact CA-OG1 3.39Å; Y1279-T1282 WeakPolarHBondContact CD1-OG1 3.33Å; Y1279-S1283 VanDerWaalsContact O-CB 3.23Å; Y1279-S1283 WeakPolarHBondContact O-CB 3.42Å; Y1279-S1283 PolarHBondContact O-N 3.3Å; Y1279-S1283 PolarHBondContact O-OG 2.97Å; Y1279-H1308 AromaticContact CE2-CE1 3.81Å; Y1279-H1308 AromaticContact CZ-CE1 3.78Å; Y1279-L1312 HydrophobicContact CE1-CD1 4.17Å; Y1279-R1477 HydrophobicContact CD1-CB 4.23Å; Y1279-R1477 HydrophobicContact CE1-CB 4.42Å; Y1279-R1477 HydrophobicContact CE1-CG 4.47Å; Y1279-R1477 PolarHBondContact OH-NH1 3.25Å |
| 1280 | C | 89.7 | Confident | 88.2 | Confident | 0 Ų | 0 | 22.3 Ų | 22.3 | 0% | 0 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -61.2 | -38.6 | 166.4 | -69 | 0 | 0 | 0 | 0 | 110.6 | I1276 D1277 A1278 H1284 L1285 V1288 L1473 G1475 I1504 | I1276-C1280 HydrophobicContact CB-CB 4.16Å; D1277-C1280 WeakPolarHBondContact O-CB 3.3Å; D1277-C1280 PolarHBondContact O-N 3.37Å; A1278-C1280 VanDerWaalsContact C-N 3.29Å; A1278-C1280 PolarHBondContact O-N 2.9Å; C1280-H1284 CarbonylContact O-C 3.5Å; C1280-H1284 VanDerWaalsContact O-CA 3.24Å; C1280-H1284 WeakPolarHBondContact O-CA 3.31Å; C1280-H1284 WeakPolarHBondContact O-CB 3.17Å; C1280-H1284 PolarHBondContact O-N 3.37Å; C1280-H1284 VanDerWaalsContact O-N 3.1Å; C1280-L1285 PolarHBondContact O-N 3.19Å; C1280-V1288 HydrophobicContact CB-CG2 4.14Å; C1280-V1288 WeakPolarHBondContact O-CG2 3.44Å; C1280-L1473 PolarHBondContact SG-O 3.28Å; C1280-G1475 PolarHBondContact SG-N 3.33Å; C1280-I1504 HydrophobicContact CB-CD1 4.13Å |
| 1281 | L | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 21 Ų | 21 | 0% | 0 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -80.7 | -37.1 | -179.3 | -69.7 | 164.9 | 0 | 0 | 0 | 113.1 | I1276 A1278 Y1279 L1285 V1288 I1301 V1305 L1309 A1322 L1326 | I1276-L1281 HydrophobicContact CD1-CD1 3.83Å; I1276-L1281 HydrophobicContact CD1-CD2 3.78Å; I1276-L1281 HydrophobicContact CD1-CG 3.71Å; A1278-L1281 WeakPolarHBondContact O-CB 3.37Å; A1278-L1281 PolarHBondContact O-N 3.33Å; Y1279-L1281 PolarHBondContact O-N 2.73Å; L1281-L1285 HydrophobicContact CD2-CD1 4.23Å; L1281-L1285 WeakPolarHBondContact O-CB 3.42Å; L1281-V1288 HydrophobicContact CD2-CG1 3.91Å; L1281-V1288 HydrophobicContact CD2-CG2 4.4Å; L1281-I1301 HydrophobicContact CD1-CD1 4.34Å; L1281-I1301 HydrophobicContact CD1-CG2 4.41Å; L1281-V1305 HydrophobicContact CD1-CG1 3.99Å; L1281-L1309 HydrophobicContact CB-CD1 4.41Å; L1281-L1309 HydrophobicContact CD1-CD1 3.69Å; L1281-A1322 HydrophobicContact CB-CB 4.05Å; L1281-L1326 HydrophobicContact CD1-CD1 3.94Å; L1281-L1326 HydrophobicContact CD2-CD2 4.04Å |
| 1282 | T | 88.2 | Confident | 89.3 | Confident | 11 Ų | 11 | 21.2 Ų | 21.2 | 7% | 0.067 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -80.5 | -39 | -179.9 | 61.4 | 0 | 0 | 0 | 0 | 112.9 | A1278 Y1279 L1309 L1312 S1318 A1319 | A1278-T1282 PolarHBondContact O-N 2.92Å; Y1279-T1282 WeakPolarHBondContact CA-OG1 3.39Å; Y1279-T1282 WeakPolarHBondContact CD1-OG1 3.33Å; T1282-L1309 HydrophobicContact CG2-CD2 3.45Å; T1282-L1309 VanDerWaalsContact CG2-CD2 3.45Å; T1282-L1312 HydrophobicContact CG2-CD1 4.25Å; T1282-S1318 VanDerWaalsContact O-CB 3.31Å; T1282-S1318 WeakPolarHBondContact O-CB 3.49Å; T1282-A1319 HydrophobicContact CG2-CB 3.95Å |
| 1283 | S | 83.4 | Confident | 89.4 | Confident | 50 Ų | 50 | 21.4 Ų | 21.4 | 35% | 0.35 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -101.7 | -24.6 | -171.3 | -50.6 | 0 | 0 | 0 | 0 | 112.6 | Y1279 F1476 | Y1279-S1283 VanDerWaalsContact O-CB 3.23Å; Y1279-S1283 WeakPolarHBondContact O-CB 3.42Å; Y1279-S1283 PolarHBondContact O-N 3.3Å; Y1279-S1283 PolarHBondContact O-OG 2.97Å; S1283-F1476 WeakPolarHBondContact CB-O 3.33Å; S1283-F1476 PolarHBondContact OG-O 3.07Å |
| 1284 | H | 87.5 | Confident | 89.1 | Confident | 14 Ų | 14 | 21 Ų | 21 | 7% | 0.065 | 12% | 0.122 | C | C | . | . | trans | -130 | 31.6 | -173 | -54.7 | -76.7 | 0 | 0 | 0 | 112.3 | C1280 P1286 M1287 V1288 F1476 I1504 | C1280-H1284 CarbonylContact O-C 3.5Å; C1280-H1284 VanDerWaalsContact O-CA 3.24Å; C1280-H1284 WeakPolarHBondContact O-CA 3.31Å; C1280-H1284 WeakPolarHBondContact O-CB 3.17Å; C1280-H1284 PolarHBondContact O-N 3.37Å; C1280-H1284 VanDerWaalsContact O-N 3.1Å; H1284-P1286 VanDerWaalsContact C-N 3.32Å; H1284-M1287 HydrophobicContact CB-CB 4.17Å; H1284-M1287 HydrophobicContact CB-CG 4.49Å; H1284-M1287 HydrophobicContact CB-SD 4.21Å; H1284-M1287 WeakPolarHBondContact O-CA 3.32Å; H1284-M1287 VanDerWaalsContact O-CB 3.31Å; H1284-M1287 WeakPolarHBondContact O-CB 3.45Å; H1284-M1287 PolarHBondContact O-N 3.42Å; H1284-V1288 PolarHBondContact O-N 3.17Å; H1284-F1476 PolarHBondContact NE2-N 3.11Å; H1284-F1476 PolarHBondContact NE2-O 3.39Å; H1284-I1504 HydrophobicContact CB-CD1 4.05Å; H1284-I1504 HydrophobicContact CB-CG2 4.08Å | ||
| 1285 | L | 91.1 | Very high | 88.5 | Confident | 21 Ų | 21 | 25.2 Ų | 25.2 | 11% | 0.11 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -50.6 | -41.9 | 179.7 | -169.2 | 59.5 | 0 | 0 | 0 | 114.2 | C1280 L1281 M1287 V1288 K1289 V1321 Y1325 | C1280-L1285 PolarHBondContact O-N 3.19Å; L1281-L1285 HydrophobicContact CD2-CD1 4.23Å; L1281-L1285 WeakPolarHBondContact O-CB 3.42Å; L1285-M1287 VanDerWaalsContact C-N 3.3Å; L1285-M1287 PolarHBondContact O-N 3.15Å; L1285-V1288 PolarHBondContact O-N 3.29Å; L1285-K1289 WeakPolarHBondContact O-CG 3.4Å; L1285-K1289 PolarHBondContact O-N 3.06Å; L1285-V1321 HydrophobicContact CD2-CG1 3.85Å; L1285-Y1325 HydrophobicContact CD1-CD1 3.64Å; L1285-Y1325 HydrophobicContact CD1-CE1 4.14Å; L1285-Y1325 HydrophobicContact CD1-CG 4.15Å |
| 1286 | P | 87.6 | Confident | 87.9 | Confident | 88 Ų | 88 | 33.2 Ų | 33.2 | 57% | 0.571 | 17% | 0.174 | S | C | * | . | H | α-helix | trans | -61.8 | -38.7 | 177.2 | -22.6 | 34.7 | 0 | 0 | 0 | 112.6 | H1284 K1289 Q1290 | H1284-P1286 VanDerWaalsContact C-N 3.32Å; P1286-K1289 PolarHBondContact O-N 3.23Å; P1286-Q1290 PolarHBondContact O-N 3.39Å |
| 1287 | M | 88.2 | Confident | 87.8 | Confident | 39 Ų | 39 | 33.6 Ų | 33.6 | 19% | 0.192 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -67.3 | -40.1 | 176.5 | -71.3 | -174.6 | -170.6 | 0 | 0 | 111.6 | H1284 L1285 Q1290 L1291 I1504 R1505 I1508 | H1284-M1287 HydrophobicContact CB-CB 4.17Å; H1284-M1287 HydrophobicContact CB-CG 4.49Å; H1284-M1287 HydrophobicContact CB-SD 4.21Å; H1284-M1287 WeakPolarHBondContact O-CA 3.32Å; H1284-M1287 VanDerWaalsContact O-CB 3.31Å; H1284-M1287 WeakPolarHBondContact O-CB 3.45Å; H1284-M1287 PolarHBondContact O-N 3.42Å; L1285-M1287 VanDerWaalsContact C-N 3.3Å; L1285-M1287 PolarHBondContact O-N 3.15Å; M1287-Q1290 WeakPolarHBondContact O-CB 3.32Å; M1287-Q1290 PolarHBondContact O-N 2.97Å; M1287-L1291 WeakPolarHBondContact O-CG 3.37Å; M1287-L1291 PolarHBondContact O-N 2.97Å; M1287-I1504 HydrophobicContact CB-CD1 4Å; M1287-I1504 HydrophobicContact CB-CG1 4.43Å; M1287-I1504 HydrophobicContact SD-CG2 4.48Å; M1287-R1505 HydrophobicContact CE-CG 4.41Å; M1287-I1508 HydrophobicContact CB-CD1 3.42Å; M1287-I1508 VanDerWaalsContact CB-CD1 3.42Å; M1287-I1508 HydrophobicContact CG-CD1 3.69Å; M1287-I1508 HydrophobicContact SD-CD1 3.81Å |
| 1288 | V | 90.6 | Very high | 87.8 | Confident | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 174 | 175.7 | 0 | 0 | 0 | 0 | 110.7 | I1276 C1280 L1281 H1284 L1285 Q1290 L1291 V1292 L1299 I1504 | I1276-V1288 HydrophobicContact CD1-CG1 4.33Å; C1280-V1288 HydrophobicContact CB-CG2 4.14Å; C1280-V1288 WeakPolarHBondContact O-CG2 3.44Å; L1281-V1288 HydrophobicContact CD2-CG1 3.91Å; L1281-V1288 HydrophobicContact CD2-CG2 4.4Å; H1284-V1288 PolarHBondContact O-N 3.17Å; L1285-V1288 PolarHBondContact O-N 3.29Å; V1288-Q1290 VanDerWaalsContact C-N 3.28Å; V1288-Q1290 PolarHBondContact O-N 3.14Å; V1288-L1291 PolarHBondContact O-N 2.95Å; V1288-L1291 VanDerWaalsContact O-N 3.14Å; V1288-V1292 HydrophobicContact CG1-CG2 4.48Å; V1288-V1292 WeakPolarHBondContact O-CG2 3.47Å; V1288-V1292 PolarHBondContact O-N 3.37Å; V1288-L1299 HydrophobicContact CG1-CD2 3.76Å; V1288-I1504 HydrophobicContact CG2-CD1 3.92Å |
| 1289 | K | 90.2 | Very high | 88 | Confident | 90 Ų | 90 | 36.1 Ų | 36.1 | 39% | 0.391 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58 | -40.3 | 173.8 | -73 | -178.7 | 174.1 | -163.6 | 0 | 112.1 | L1285 P1286 L1291 V1292 S1293 Y1325 | L1285-K1289 WeakPolarHBondContact O-CG 3.4Å; L1285-K1289 PolarHBondContact O-N 3.06Å; P1286-K1289 PolarHBondContact O-N 3.23Å; K1289-L1291 VanDerWaalsContact C-N 3.35Å; K1289-L1291 PolarHBondContact O-N 2.86Å; K1289-V1292 PolarHBondContact O-N 3.36Å; K1289-S1293 WeakPolarHBondContact O-CB 3.26Å; K1289-S1293 PolarHBondContact O-N 3.49Å; K1289-S1293 PolarHBondContact O-OG 2.74Å; K1289-Y1325 HydrophobicContact CD-CE2 4.19Å; K1289-Y1325 VanDerWaalsContact CE-CD2 3.49Å; K1289-Y1325 HydrophobicContact CG-CD2 4.38Å; K1289-Y1325 HydrophobicContact CG-CE1 4.3Å; K1289-Y1325 HydrophobicContact CG-CE2 3.7Å |
| 1290 | Q | 87.7 | Confident | 88.2 | Confident | 34 Ų | 34 | 36 Ų | 36 | 16% | 0.159 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63 | -40.2 | 175.8 | -165.3 | -177.7 | 8.5 | 0 | 0 | 112.3 | P1286 M1287 V1288 S1293 S1294 W1511 | P1286-Q1290 PolarHBondContact O-N 3.39Å; M1287-Q1290 WeakPolarHBondContact O-CB 3.32Å; M1287-Q1290 PolarHBondContact O-N 2.97Å; V1288-Q1290 VanDerWaalsContact C-N 3.28Å; V1288-Q1290 PolarHBondContact O-N 3.14Å; Q1290-S1293 VanDerWaalsContact CA-OG 3.31Å; Q1290-S1293 WeakPolarHBondContact CA-OG 3.25Å; Q1290-S1293 PolarHBondContact O-OG 3.41Å; Q1290-S1293 VanDerWaalsContact O-OG 3.07Å; Q1290-S1294 WeakPolarHBondContact O-CB 3.4Å; Q1290-S1294 PolarHBondContact O-N 3.17Å; Q1290-W1511 HydrophobicContact CG-CH2 4.08Å; Q1290-W1511 HydrophobicContact CG-CZ3 3.93Å |
| 1291 | L | 88.5 | Confident | 88.4 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -68.6 | -39.5 | 177 | -69.8 | 171.7 | 0 | 0 | 0 | 111.9 | L1274 M1287 V1288 K1289 S1294 F1297 L1299 L1473 I1504 F1507 I1508 W1511 | L1274-L1291 HydrophobicContact CD1-CD1 4.35Å; L1274-L1291 HydrophobicContact CD1-CD2 4.48Å; M1287-L1291 WeakPolarHBondContact O-CG 3.37Å; M1287-L1291 PolarHBondContact O-N 2.97Å; V1288-L1291 PolarHBondContact O-N 2.95Å; V1288-L1291 VanDerWaalsContact O-N 3.14Å; K1289-L1291 VanDerWaalsContact C-N 3.35Å; K1289-L1291 PolarHBondContact O-N 2.86Å; L1291-S1294 WeakPolarHBondContact O-CB 3.33Å; L1291-S1294 PolarHBondContact O-N 3.02Å; L1291-S1294 PolarHBondContact O-OG 2.98Å; L1291-F1297 HydrophobicContact CD2-CD2 3.94Å; L1291-F1297 HydrophobicContact CD2-CE2 3.94Å; L1291-L1299 HydrophobicContact CB-CD1 3.92Å; L1291-L1299 HydrophobicContact CB-CD2 4.25Å; L1291-L1473 HydrophobicContact CD1-CD1 3.85Å; L1291-I1504 HydrophobicContact CD1-CD1 4.4Å; L1291-I1504 HydrophobicContact CD1-CG1 4.47Å; L1291-F1507 HydrophobicContact CD2-CD1 4.16Å; L1291-F1507 HydrophobicContact CD2-CE1 3.85Å; L1291-I1508 HydrophobicContact CD1-CD1 4.37Å; L1291-I1508 HydrophobicContact CD1-CG1 4.46Å; L1291-I1508 HydrophobicContact CD2-CG1 4.2Å; L1291-I1508 HydrophobicContact CG-CD1 4.37Å; L1291-I1508 HydrophobicContact CG-CG1 4.41Å; L1291-W1511 HydrophobicContact CD2-CD2 4.48Å; L1291-W1511 HydrophobicContact CD2-CE3 3.89Å; L1291-W1511 HydrophobicContact CD2-CZ3 4.04Å |
| 1292 | V | 87.6 | Confident | 88.6 | Confident | 4 Ų | 4 | 36 Ų | 36 | 2% | 0.024 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -67 | -50.4 | 176.6 | 175.2 | 0 | 0 | 0 | 0 | 111.4 | V1288 K1289 S1294 N1295 L1299 N1334 L1337 | V1288-V1292 HydrophobicContact CG1-CG2 4.48Å; V1288-V1292 WeakPolarHBondContact O-CG2 3.47Å; V1288-V1292 PolarHBondContact O-N 3.37Å; K1289-V1292 PolarHBondContact O-N 3.36Å; V1292-S1294 PolarHBondContact O-N 3.26Å; V1292-N1295 PolarHBondContact O-N 3.18Å; V1292-N1295 VanDerWaalsContact O-N 3.1Å; V1292-N1295 PolarHBondContact O-OD1 2.93Å; V1292-L1299 HydrophobicContact CG2-CD1 4.3Å; V1292-L1299 HydrophobicContact CG2-CD2 3.95Å; V1292-L1299 HydrophobicContact CG2-CG 4.5Å; V1292-N1334 WeakPolarHBondContact CG1-ND2 3.37Å; V1292-L1337 HydrophobicContact CG1-CB 4.39Å; V1292-L1337 HydrophobicContact CG2-CB 4.3Å; V1292-L1337 HydrophobicContact CG2-CD1 3.89Å |
| 1293 | S | 84.6 | Confident | 88.7 | Confident | 59 Ų | 59 | 40 Ų | 40 | 41% | 0.413 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -22.7 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | K1289 Q1290 N1295 | K1289-S1293 WeakPolarHBondContact O-CB 3.26Å; K1289-S1293 PolarHBondContact O-N 3.49Å; K1289-S1293 PolarHBondContact O-OG 2.74Å; Q1290-S1293 VanDerWaalsContact CA-OG 3.31Å; Q1290-S1293 WeakPolarHBondContact CA-OG 3.25Å; Q1290-S1293 PolarHBondContact O-OG 3.41Å; Q1290-S1293 VanDerWaalsContact O-OG 3.07Å; S1293-N1295 PolarHBondContact O-N 3.35Å; S1293-N1295 VanDerWaalsContact O-N 3.15Å |
| 1294 | S | 84.2 | Confident | 89 | Confident | 28 Ų | 28 | 38.1 Ų | 38.1 | 20% | 0.196 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -23.8 | 174.2 | 81.6 | 0 | 0 | 0 | 0 | 113.1 | Q1290 L1291 V1292 R1296 W1511 | Q1290-S1294 WeakPolarHBondContact O-CB 3.4Å; Q1290-S1294 PolarHBondContact O-N 3.17Å; L1291-S1294 WeakPolarHBondContact O-CB 3.33Å; L1291-S1294 PolarHBondContact O-N 3.02Å; L1291-S1294 PolarHBondContact O-OG 2.98Å; V1292-S1294 PolarHBondContact O-N 3.26Å; S1294-R1296 WeakPolarHBondContact O-CG 3.48Å; S1294-R1296 PolarHBondContact O-N 3.34Å; S1294-R1296 PolarHBondContact OG-N 3.27Å; S1294-W1511 VanDerWaalsContact CB-CZ2 3.45Å |
| 1295 | N | 81.6 | Confident | 89.3 | Confident | 88 Ų | 88 | 37.4 Ų | 37.4 | 47% | 0.471 | 19% | 0.19 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.4 | 22.4 | -176.7 | -62.2 | -27.4 | 0 | 0 | 0 | 113.4 | V1292 S1293 Y1336 | V1292-N1295 PolarHBondContact O-N 3.18Å; V1292-N1295 VanDerWaalsContact O-N 3.1Å; V1292-N1295 PolarHBondContact O-OD1 2.93Å; S1293-N1295 PolarHBondContact O-N 3.35Å; S1293-N1295 VanDerWaalsContact O-N 3.15Å; N1295-Y1336 HydrophobicContact CB-CD1 4.45Å; N1295-Y1336 HydrophobicContact CB-CD2 4.03Å; N1295-Y1336 HydrophobicContact CB-CE1 3.98Å; N1295-Y1336 HydrophobicContact CB-CE2 3.51Å; N1295-Y1336 HydrophobicContact CB-CG 4.46Å; N1295-Y1336 VanDerWaalsContact CB-CZ 3.46Å; N1295-Y1336 VanDerWaalsContact CG-CE2 3.41Å; N1295-Y1336 WeakPolarHBondContact O-CE1 3.5Å; N1295-Y1336 WeakPolarHBondContact OD1-CD2 3.46Å; N1295-Y1336 WeakPolarHBondContact OD1-CE2 3.49Å |
| 1296 | R | 81.3 | Confident | 89.3 | Confident | 168 Ų | 168 | 39 Ų | 39 | 63% | 0.634 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -107.2 | -24.1 | -179.1 | -65.6 | -169.1 | 73.7 | 138.5 | 0.2 | 114.1 | S1294 | S1294-R1296 WeakPolarHBondContact O-CG 3.48Å; S1294-R1296 PolarHBondContact O-N 3.34Å; S1294-R1296 PolarHBondContact OG-N 3.27Å |
| 1297 | F | 90.3 | Very high | 89.4 | Confident | 7 Ų | 7 | 38.3 Ų | 38.3 | 3% | 0.031 | 20% | 0.196 | C | C | . | . | trans | -123.1 | 147.1 | -174.2 | -49.3 | -72.3 | 0 | 0 | 0 | 110 | L1270 P1272 L1274 L1291 L1299 Y1336 F1507 W1511 | L1270-F1297 HydrophobicContact CB-CE1 4.04Å; L1270-F1297 HydrophobicContact CD1-CE1 4.39Å; L1270-F1297 HydrophobicContact CD1-CZ 4.11Å; P1272-F1297 WeakPolarHBondContact O-CA 3.27Å; L1274-F1297 HydrophobicContact CD1-CB 3.51Å; L1274-F1297 HydrophobicContact CD1-CD1 3.97Å; L1274-F1297 HydrophobicContact CD1-CD2 4.05Å; L1274-F1297 HydrophobicContact CD1-CG 3.57Å; L1274-F1297 HydrophobicContact CG-CB 4.04Å; L1274-F1297 HydrophobicContact CG-CD1 4.4Å; L1274-F1297 HydrophobicContact CG-CG 4.32Å; L1291-F1297 HydrophobicContact CD2-CD2 3.94Å; L1291-F1297 HydrophobicContact CD2-CE2 3.94Å; F1297-L1299 HydrophobicContact CB-CD1 4.02Å; F1297-Y1336 WeakPolarHBondContact O-CB 3.38Å; F1297-F1507 HydrophobicContact CD1-CZ 4.25Å; F1297-F1507 HydrophobicContact CE1-CE1 4.34Å; F1297-F1507 AromaticContact CE1-CZ 3.85Å; F1297-F1507 HydrophobicContact CE1-CZ 3.85Å; F1297-F1507 HydrophobicContact CE2-CE1 4.24Å; F1297-F1507 HydrophobicContact CZ-CE1 4.08Å; F1297-F1507 HydrophobicContact CZ-CZ 4.01Å; F1297-W1511 AromaticContact CE2-CD1 3.99Å; F1297-W1511 HydrophobicContact CE2-CD2 4.04Å; F1297-W1511 AromaticContact CE2-CE2 3.88Å; F1297-W1511 HydrophobicContact CE2-CG 4.12Å; F1297-W1511 HydrophobicContact CE2-CZ2 4.44Å; F1297-W1511 AromaticContact CE2-NE1 3.83Å; F1297-W1511 AromaticContact CZ-CD1 3.69Å; F1297-W1511 HydrophobicContact CZ-CD2 4.43Å; F1297-W1511 HydrophobicContact CZ-CG 4.03Å; F1297-W1511 AromaticContact CZ-NE1 3.89Å | ||
| 1298 | I | 90.3 | Very high | 89.6 | Confident | 54 Ų | 54 | 37.4 Ų | 37.4 | 28% | 0.277 | 19% | 0.191 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.2 | 107.8 | 169.4 | -60.9 | 172.6 | 0 | 0 | 0 | 106.8 | P1272 F1273 L1274 I1300 | P1272-I1298 PolarHBondContact O-N 2.8Å; F1273-I1298 HydrophobicContact CD1-CB 3.94Å; F1273-I1298 HydrophobicContact CD1-CD1 4.36Å; F1273-I1298 HydrophobicContact CD1-CG2 4.18Å; F1273-I1298 HydrophobicContact CE1-CB 4.1Å; F1273-I1298 HydrophobicContact CE1-CD1 3.66Å; F1273-I1298 HydrophobicContact CE1-CG1 4.44Å; F1273-I1298 HydrophobicContact CE1-CG2 4.25Å; F1273-I1298 HydrophobicContact CZ-CD1 4.03Å; L1274-I1298 PolarHBondContact N-O 2.99Å; I1298-I1300 HydrophobicContact CG2-CG1 4.45Å |
| 1299 | L | 93.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 37.4 Ų | 37.4 | 0% | 0 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 120.7 | 175.4 | -84.8 | 76.9 | 0 | 0 | 0 | 109.5 | L1274 I1276 V1288 L1291 V1292 F1297 Y1336 L1337 R1338 | L1274-L1299 HydrophobicContact CB-CG 4.26Å; L1274-L1299 HydrophobicContact CD1-CD1 4.16Å; L1274-L1299 CarbonylContact O-C 3.5Å; L1274-L1299 WeakPolarHBondContact O-CA 3.37Å; I1276-L1299 HydrophobicContact CD1-CD2 4.42Å; I1276-L1299 HydrophobicContact CG2-CD2 3.98Å; I1276-L1299 HydrophobicContact CG2-CG 4.39Å; V1288-L1299 HydrophobicContact CG1-CD2 3.76Å; L1291-L1299 HydrophobicContact CB-CD1 3.92Å; L1291-L1299 HydrophobicContact CB-CD2 4.25Å; V1292-L1299 HydrophobicContact CG2-CD1 4.3Å; V1292-L1299 HydrophobicContact CG2-CD2 3.95Å; V1292-L1299 HydrophobicContact CG2-CG 4.5Å; F1297-L1299 HydrophobicContact CB-CD1 4.02Å; L1299-Y1336 PolarHBondContact N-O 3.03Å; L1299-L1337 CarbonylContact O-C 3.59Å; L1299-L1337 WeakPolarHBondContact O-CA 3.47Å; L1299-R1338 PolarHBondContact O-N 3.07Å |
| 1300 | I | 93.6 | Very high | 89.7 | Confident | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 127.7 | 177.1 | -64.2 | 154.9 | 0 | 0 | 0 | 108.2 | F1273 L1274 V1275 I1276 I1298 P1302 R1338 C1396 F1400 | F1273-I1300 HydrophobicContact CB-CD1 4.17Å; F1273-I1300 HydrophobicContact CD1-CD1 3.84Å; F1273-I1300 HydrophobicContact CG-CD1 4.45Å; L1274-I1300 PolarHBondContact O-N 3.13Å; V1275-I1300 WeakPolarHBondContact CA-O 3.32Å; V1275-I1300 HydrophobicContact CG2-CB 4.17Å; V1275-I1300 HydrophobicContact CG2-CD1 4.28Å; V1275-I1300 HydrophobicContact CG2-CG2 4.44Å; I1276-I1300 PolarHBondContact N-O 3.45Å; I1298-I1300 HydrophobicContact CG2-CG1 4.45Å; I1300-P1302 WeakPolarHBondContact O-CD 3.47Å; I1300-R1338 CarbonylContact C-O 3.5Å; I1300-R1338 WeakPolarHBondContact CA-O 3.32Å; I1300-C1396 VanDerWaalsContact CG2-SG 3.59Å; I1300-F1400 HydrophobicContact CB-CE2 4.46Å; I1300-F1400 HydrophobicContact CD1-CB 4.1Å; I1300-F1400 HydrophobicContact CD1-CD1 3.77Å; I1300-F1400 HydrophobicContact CD1-CD2 3.48Å; I1300-F1400 VanDerWaalsContact CD1-CD2 3.48Å; I1300-F1400 HydrophobicContact CD1-CE1 4.03Å; I1300-F1400 HydrophobicContact CD1-CE2 3.79Å; I1300-F1400 HydrophobicContact CD1-CG 3.48Å; I1300-F1400 VanDerWaalsContact CD1-CG 3.48Å; I1300-F1400 HydrophobicContact CD1-CZ 4.06Å; I1300-F1400 HydrophobicContact CG1-CD2 4.32Å; I1300-F1400 HydrophobicContact CG1-CE2 4.16Å; I1300-F1400 HydrophobicContact CG1-CZ 4.25Å; I1300-F1400 HydrophobicContact CG2-CD2 4.03Å; I1300-F1400 HydrophobicContact CG2-CE2 3.53Å; I1300-F1400 HydrophobicContact CG2-CZ 4.15Å |
| 1301 | I | 94.7 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.2 Ų | 41.2 | 0% | 0 | 21% | 0.207 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.7 | 108.4 | 176.5 | -49 | -165.7 | 0 | 0 | 0 | 108.8 | I1276 L1281 V1305 I1306 L1326 L1337 R1338 L1339 Q1340 | I1276-I1301 HydrophobicContact CD1-CD1 3.99Å; I1276-I1301 HydrophobicContact CD1-CG1 3.85Å; I1276-I1301 HydrophobicContact CG1-CG1 4.1Å; L1281-I1301 HydrophobicContact CD1-CD1 4.34Å; L1281-I1301 HydrophobicContact CD1-CG2 4.41Å; I1301-V1305 HydrophobicContact CG2-CB 4.3Å; I1301-V1305 HydrophobicContact CG2-CG1 3.99Å; I1301-I1306 HydrophobicContact CG2-CG1 3.97Å; I1301-L1326 HydrophobicContact CD1-CD1 3.67Å; I1301-L1326 HydrophobicContact CD1-CD2 3.15Å; I1301-L1326 HydrophobicContact CD1-CG 4.02Å; I1301-L1326 HydrophobicContact CG2-CD1 4.29Å; I1301-L1337 HydrophobicContact CD1-CD1 4.19Å; I1301-L1337 HydrophobicContact CD1-CD2 4.11Å; I1301-L1337 HydrophobicContact CD1-CG 4.18Å; I1301-R1338 PolarHBondContact N-O 3.15Å; I1301-L1339 HydrophobicContact CB-CD2 3.79Å; I1301-L1339 HydrophobicContact CD1-CD2 3.88Å; I1301-L1339 HydrophobicContact CG1-CD2 4.1Å; I1301-L1339 HydrophobicContact CG2-CD2 4.29Å; I1301-Q1340 WeakPolarHBondContact O-CB 3.34Å; I1301-Q1340 PolarHBondContact O-N 3.06Å |
| 1302 | P | 94.7 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | trans | -61 | 148.6 | 177.2 | -23.7 | 34.2 | 0 | 0 | 0 | 112.3 | V1275 I1276 I1300 A1304 V1305 I1306 I1393 C1396 | V1275-P1302 HydrophobicContact CG1-CG 3.47Å; V1275-P1302 VanDerWaalsContact CG1-CG 3.47Å; I1276-P1302 WeakPolarHBondContact O-CD 3.36Å; I1300-P1302 WeakPolarHBondContact O-CD 3.47Å; P1302-A1304 PolarHBondContact O-N 3.24Å; P1302-V1305 HydrophobicContact CB-CB 4.45Å; P1302-V1305 HydrophobicContact CB-CG2 4.17Å; P1302-V1305 HydrophobicContact CG-CG2 4.12Å; P1302-V1305 WeakPolarHBondContact O-CB 3.48Å; P1302-V1305 PolarHBondContact O-N 2.68Å; P1302-I1306 PolarHBondContact O-N 3.41Å; P1302-I1393 HydrophobicContact CB-CG1 4.39Å; P1302-I1393 HydrophobicContact CG-CG1 4.26Å; P1302-I1393 HydrophobicContact CG-CG2 4.43Å; P1302-C1396 HydrophobicContact CB-CB 4.08Å; P1302-C1396 HydrophobicContact CG-CB 4.12Å | ||
| 1303 | Q | 91.1 | Very high | 89.7 | Confident | 96 Ų | 96 | 45.4 Ų | 45.4 | 45% | 0.449 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -60.8 | -33.8 | 175.5 | -167.1 | 177.2 | 12.8 | 0 | 0 | 111.7 | V1305 I1306 S1307 | Q1303-V1305 PolarHBondContact O-N 3.34Å; Q1303-I1306 PolarHBondContact O-N 3.01Å; Q1303-S1307 PolarHBondContact O-N 3.38Å |
| 1304 | A | 89.5 | Confident | 89.8 | Confident | 10 Ų | 10 | 51 Ų | 51 | 8% | 0.083 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -60.1 | -34 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | P1302 S1307 H1308 N1392 | P1302-A1304 PolarHBondContact O-N 3.24Å; A1304-S1307 WeakPolarHBondContact CA-OG 3.47Å; A1304-S1307 PolarHBondContact O-OG 3.47Å; A1304-H1308 WeakPolarHBondContact O-CB 3.5Å; A1304-H1308 PolarHBondContact O-N 2.86Å; A1304-N1392 HydrophobicContact CB-CB 3.58Å |
| 1305 | V | 93.3 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -72.9 | -40.8 | 178.6 | 166.6 | 0 | 0 | 0 | 0 | 111.2 | I1276 A1278 L1281 I1301 P1302 Q1303 S1307 H1308 L1309 I1393 | I1276-V1305 WeakPolarHBondContact O-CG2 3.31Å; A1278-V1305 HydrophobicContact CB-CG1 3.96Å; L1281-V1305 HydrophobicContact CD1-CG1 3.99Å; I1301-V1305 HydrophobicContact CG2-CB 4.3Å; I1301-V1305 HydrophobicContact CG2-CG1 3.99Å; P1302-V1305 HydrophobicContact CB-CB 4.45Å; P1302-V1305 HydrophobicContact CB-CG2 4.17Å; P1302-V1305 HydrophobicContact CG-CG2 4.12Å; P1302-V1305 WeakPolarHBondContact O-CB 3.48Å; P1302-V1305 PolarHBondContact O-N 2.68Å; Q1303-V1305 PolarHBondContact O-N 3.34Å; V1305-S1307 VanDerWaalsContact C-N 3.34Å; V1305-S1307 PolarHBondContact O-N 2.98Å; V1305-H1308 PolarHBondContact O-N 3.4Å; V1305-L1309 HydrophobicContact CG1-CD1 4.38Å; V1305-L1309 WeakPolarHBondContact O-CG 3.35Å; V1305-L1309 PolarHBondContact O-N 3.18Å; V1305-I1393 HydrophobicContact CG2-CD1 3.96Å; V1305-I1393 HydrophobicContact CG2-CG1 4.03Å |
| 1306 | I | 91.7 | Very high | 89.7 | Confident | 55 Ų | 55 | 53.1 Ų | 53.1 | 28% | 0.282 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -60.3 | -46.9 | 173.2 | -57.1 | 173.6 | 0 | 0 | 0 | 109.9 | I1301 P1302 Q1303 H1308 L1309 D1310 L1339 | I1301-I1306 HydrophobicContact CG2-CG1 3.97Å; P1302-I1306 PolarHBondContact O-N 3.41Å; Q1303-I1306 PolarHBondContact O-N 3.01Å; I1306-H1308 PolarHBondContact O-N 3.22Å; I1306-L1309 PolarHBondContact O-N 2.93Å; I1306-D1310 PolarHBondContact O-N 3.39Å; I1306-L1339 HydrophobicContact CD1-CD2 4.14Å |
| 1307 | S | 89.8 | Confident | 89.9 | Confident | 73 Ų | 73 | 47.9 Ų | 47.9 | 51% | 0.51 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -60.8 | -33.8 | 177.6 | 77.2 | 0 | 0 | 0 | 0 | 112.9 | Q1303 A1304 V1305 Y1311 | Q1303-S1307 PolarHBondContact O-N 3.38Å; A1304-S1307 WeakPolarHBondContact CA-OG 3.47Å; A1304-S1307 PolarHBondContact O-OG 3.47Å; V1305-S1307 VanDerWaalsContact C-N 3.34Å; V1305-S1307 PolarHBondContact O-N 2.98Å; S1307-Y1311 PolarHBondContact O-N 2.99Å |
| 1308 | H | 91.8 | Very high | 89.8 | Confident | 19 Ų | 19 | 49.6 Ų | 49.6 | 9% | 0.088 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -75.2 | -40 | 177.9 | -171.8 | -147.4 | 0 | 0 | 0 | 111.7 | A1278 Y1279 A1304 V1305 I1306 D1310 Y1311 L1312 R1389 | A1278-H1308 HydrophobicContact CB-CB 4.22Å; A1278-H1308 VanDerWaalsContact CB-ND1 3.29Å; A1278-H1308 WeakPolarHBondContact CB-ND1 3.43Å; Y1279-H1308 AromaticContact CE2-CE1 3.81Å; Y1279-H1308 AromaticContact CZ-CE1 3.78Å; A1304-H1308 WeakPolarHBondContact O-CB 3.5Å; A1304-H1308 PolarHBondContact O-N 2.86Å; V1305-H1308 PolarHBondContact O-N 3.4Å; I1306-H1308 PolarHBondContact O-N 3.22Å; H1308-D1310 VanDerWaalsContact C-N 3.27Å; H1308-D1310 PolarHBondContact O-N 2.67Å; H1308-Y1311 WeakPolarHBondContact O-CB 3.39Å; H1308-Y1311 PolarHBondContact O-N 3.27Å; H1308-Y1311 VanDerWaalsContact O-N 3.13Å; H1308-L1312 WeakPolarHBondContact O-CG 3.47Å; H1308-L1312 PolarHBondContact O-N 3.24Å; H1308-R1389 PolarHBondContact CE1-NH1 3.02Å; H1308-R1389 PolarHBondContact ND1-NH1 2.91Å; H1308-R1389 PolarHBondContact NE2-NH1 3.33Å |
| 1309 | L | 91.8 | Very high | 89.8 | Confident | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -60.9 | -37.9 | 172 | -71.8 | 172.7 | 0 | 0 | 0 | 111.8 | A1278 L1281 T1282 V1305 I1306 Y1311 L1312 K1313 A1319 A1322 I1323 L1326 | A1278-L1309 HydrophobicContact CB-CD2 4.33Å; A1278-L1309 HydrophobicContact CB-CG 4.35Å; L1281-L1309 HydrophobicContact CB-CD1 4.41Å; L1281-L1309 HydrophobicContact CD1-CD1 3.69Å; T1282-L1309 HydrophobicContact CG2-CD2 3.45Å; T1282-L1309 VanDerWaalsContact CG2-CD2 3.45Å; V1305-L1309 HydrophobicContact CG1-CD1 4.38Å; V1305-L1309 WeakPolarHBondContact O-CG 3.35Å; V1305-L1309 PolarHBondContact O-N 3.18Å; I1306-L1309 PolarHBondContact O-N 2.93Å; L1309-Y1311 VanDerWaalsContact C-N 3.26Å; L1309-Y1311 PolarHBondContact O-N 2.91Å; L1309-L1312 PolarHBondContact O-N 3.21Å; L1309-K1313 WeakPolarHBondContact O-CB 3.38Å; L1309-K1313 PolarHBondContact O-N 2.91Å; L1309-A1319 HydrophobicContact CD2-CB 4.24Å; L1309-A1322 HydrophobicContact CD2-CB 4.43Å; L1309-I1323 HydrophobicContact CB-CD1 4.14Å; L1309-I1323 HydrophobicContact CB-CG1 4.01Å; L1309-L1326 HydrophobicContact CD1-CD1 4.09Å |
| 1310 | D | 92.1 | Very high | 89.7 | Confident | 65 Ų | 65 | 52.5 Ų | 52.5 | 35% | 0.348 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -64.3 | -30.3 | 175.1 | -88.6 | -31.7 | 0 | 0 | 0 | 113.6 | I1306 H1308 K1313 | I1306-D1310 PolarHBondContact O-N 3.39Å; H1308-D1310 VanDerWaalsContact C-N 3.27Å; H1308-D1310 PolarHBondContact O-N 2.67Å; D1310-K1313 WeakPolarHBondContact O-CE 3.37Å; D1310-K1313 WeakPolarHBondContact O-CG 3.04Å; D1310-K1313 WeakPolarHBondContact OD1-CE 3.33Å; D1310-K1313 IonicContact OD1-NZ 3.25Å; D1310-K1313 PolarHBondContact OD1-NZ 3.04Å |
| 1311 | Y | 88.7 | Confident | 89.7 | Confident | 139 Ų | 139 | 56.2 Ų | 56.2 | 55% | 0.545 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -72 | -49 | 169.6 | 173.9 | -102.8 | 0 | 0 | 0 | 110.9 | S1307 H1308 L1309 K1313 | S1307-Y1311 PolarHBondContact O-N 2.99Å; H1308-Y1311 WeakPolarHBondContact O-CB 3.39Å; H1308-Y1311 PolarHBondContact O-N 3.27Å; H1308-Y1311 VanDerWaalsContact O-N 3.13Å; L1309-Y1311 VanDerWaalsContact C-N 3.26Å; L1309-Y1311 PolarHBondContact O-N 2.91Å; Y1311-K1313 VanDerWaalsContact C-N 3.34Å; Y1311-K1313 PolarHBondContact O-N 3.4Å |
| 1312 | L | 85.8 | Confident | 89.6 | Confident | 6 Ų | 6 | 56.2 Ų | 56.2 | 3% | 0.031 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -68.3 | -26.3 | -176.2 | -66.4 | 178.3 | 0 | 0 | 0 | 113.7 | Y1279 T1282 H1308 L1309 K1314 T1315 M1316 A1319 | Y1279-L1312 HydrophobicContact CE1-CD1 4.17Å; T1282-L1312 HydrophobicContact CG2-CD1 4.25Å; H1308-L1312 WeakPolarHBondContact O-CG 3.47Å; H1308-L1312 PolarHBondContact O-N 3.24Å; L1309-L1312 PolarHBondContact O-N 3.21Å; L1312-K1314 PolarHBondContact O-N 3.18Å; L1312-T1315 PolarHBondContact O-N 3.19Å; L1312-T1315 PolarHBondContact O-OG1 2.89Å; L1312-M1316 HydrophobicContact CB-SD 4.1Å; L1312-M1316 HydrophobicContact CD1-SD 4.03Å; L1312-M1316 HydrophobicContact CD2-SD 3.84Å; L1312-M1316 HydrophobicContact CG-SD 4.2Å; L1312-M1316 WeakPolarHBondContact O-CB 3.44Å; L1312-M1316 PolarHBondContact O-N 3.45Å; L1312-A1319 HydrophobicContact CB-CB 3.8Å |
| 1313 | K | 89.6 | Confident | 89.5 | Confident | 86 Ų | 86 | 57.5 Ų | 57.5 | 37% | 0.374 | 30% | 0.297 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -18.6 | -178.2 | 79.7 | -172.1 | 172.2 | -171.6 | 0 | 114.1 | L1309 D1310 Y1311 A1319 R1320 I1323 | L1309-K1313 WeakPolarHBondContact O-CB 3.38Å; L1309-K1313 PolarHBondContact O-N 2.91Å; D1310-K1313 WeakPolarHBondContact O-CE 3.37Å; D1310-K1313 WeakPolarHBondContact O-CG 3.04Å; D1310-K1313 WeakPolarHBondContact OD1-CE 3.33Å; D1310-K1313 IonicContact OD1-NZ 3.25Å; D1310-K1313 PolarHBondContact OD1-NZ 3.04Å; Y1311-K1313 VanDerWaalsContact C-N 3.34Å; Y1311-K1313 PolarHBondContact O-N 3.4Å; K1313-A1319 HydrophobicContact CB-CB 4.43Å; K1313-R1320 HydrophobicContact CB-CG 3.85Å; K1313-I1323 HydrophobicContact CB-CD1 3.81Å; K1313-I1323 HydrophobicContact CD-CD1 3.68Å; K1313-I1323 HydrophobicContact CG-CD1 4.35Å |
| 1314 | K | 86.6 | Confident | 89.7 | Confident | 176 Ų | 176 | 61.2 Ų | 61.2 | 77% | 0.765 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -71.4 | -32 | 176 | -64.6 | -175.6 | 180 | -177 | 0 | 112.4 | L1312 | L1312-K1314 PolarHBondContact O-N 3.18Š|
| 1315 | T | 79.8 | Confident | 89.9 | Confident | 114 Ų | 114 | 61.9 Ų | 61.9 | 70% | 0.699 | 31% | 0.307 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -115.2 | -27.8 | -174.5 | 54.6 | 0 | 0 | 0 | 0 | 112.8 | L1312 | L1312-T1315 PolarHBondContact O-N 3.19Å; L1312-T1315 PolarHBondContact O-OG1 2.89Å |
| 1316 | M | 83 | Confident | 89.8 | Confident | 47 Ų | 47 | 62.4 Ų | 62.4 | 23% | 0.232 | 31% | 0.31 | C | S | . | . | trans | -110.3 | 119.5 | -173.9 | -61.4 | -178.9 | 73.9 | 0 | 0 | 111.8 | L1312 S1318 A1319 | L1312-M1316 HydrophobicContact CB-SD 4.1Å; L1312-M1316 HydrophobicContact CD1-SD 4.03Å; L1312-M1316 HydrophobicContact CD2-SD 3.84Å; L1312-M1316 HydrophobicContact CG-SD 4.2Å; L1312-M1316 WeakPolarHBondContact O-CB 3.44Å; L1312-M1316 PolarHBondContact O-N 3.45Å; M1316-S1318 VanDerWaalsContact C-N 3.3Å; M1316-S1318 PolarHBondContact O-N 3.47Å; M1316-A1319 HydrophobicContact CB-CB 3.96Å; M1316-A1319 PolarHBondContact O-N 2.79Å | ||
| 1317 | A | 85.6 | Confident | 89.8 | Confident | 57 Ų | 57 | 64.8 Ų | 64.8 | 47% | 0.471 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62 | -38.2 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | A1319 R1320 V1321 | A1317-A1319 VanDerWaalsContact C-N 3.32Å; A1317-A1319 PolarHBondContact O-N 3.18Å; A1317-R1320 WeakPolarHBondContact O-CB 3.15Å; A1317-R1320 PolarHBondContact O-N 2.89Å; A1317-R1320 VanDerWaalsContact O-N 3.13Å; A1317-V1321 PolarHBondContact O-N 3.08Å; A1317-V1321 VanDerWaalsContact O-N 3.16Å |
| 1318 | S | 88.1 | Confident | 89.8 | Confident | 44 Ų | 44 | 67.8 Ų | 67.8 | 31% | 0.308 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -62.1 | -35.9 | 177.5 | 54.4 | 0 | 0 | 0 | 0 | 113 | T1282 M1316 R1320 V1321 A1322 | T1282-S1318 VanDerWaalsContact O-CB 3.31Å; T1282-S1318 WeakPolarHBondContact O-CB 3.49Å; M1316-S1318 VanDerWaalsContact C-N 3.3Å; M1316-S1318 PolarHBondContact O-N 3.47Å; S1318-R1320 VanDerWaalsContact C-N 3.34Å; S1318-R1320 PolarHBondContact O-N 3.01Å; S1318-V1321 PolarHBondContact O-N 3.43Å; S1318-A1322 WeakPolarHBondContact O-CB 3.28Å; S1318-A1322 PolarHBondContact O-N 2.87Å |
| 1319 | A | 90.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -63.7 | -37.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | T1282 L1309 L1312 K1313 M1316 A1317 A1322 I1323 | T1282-A1319 HydrophobicContact CG2-CB 3.95Å; L1309-A1319 HydrophobicContact CD2-CB 4.24Å; L1312-A1319 HydrophobicContact CB-CB 3.8Å; K1313-A1319 HydrophobicContact CB-CB 4.43Å; M1316-A1319 HydrophobicContact CB-CB 3.96Å; M1316-A1319 PolarHBondContact O-N 2.79Å; A1317-A1319 VanDerWaalsContact C-N 3.32Å; A1317-A1319 PolarHBondContact O-N 3.18Å; A1319-A1322 PolarHBondContact O-N 3.45Å; A1319-I1323 VanDerWaalsContact O-CG1 3.28Å; A1319-I1323 WeakPolarHBondContact O-CG1 3.49Å; A1319-I1323 PolarHBondContact O-N 3.42Å |
| 1320 | R | 92.7 | Very high | 89.2 | Confident | 114 Ų | 114 | 71.1 Ų | 71.1 | 43% | 0.43 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -63.8 | -41.1 | 173.7 | -69.5 | -179.4 | -80.1 | 160.3 | -3.6 | 112 | K1313 A1317 S1318 R1324 | K1313-R1320 HydrophobicContact CB-CG 3.85Å; A1317-R1320 WeakPolarHBondContact O-CB 3.15Å; A1317-R1320 PolarHBondContact O-N 2.89Å; A1317-R1320 VanDerWaalsContact O-N 3.13Å; S1318-R1320 VanDerWaalsContact C-N 3.34Å; S1318-R1320 PolarHBondContact O-N 3.01Å; R1320-R1324 WeakPolarHBondContact O-CG 3.34Å; R1320-R1324 PolarHBondContact O-N 3.4Å; R1320-R1324 VanDerWaalsContact O-N 3.1Å |
| 1321 | V | 92.3 | Very high | 88.7 | Confident | 79 Ų | 79 | 76 Ų | 76 | 48% | 0.479 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -66 | -43.3 | 176.4 | 178.5 | 0 | 0 | 0 | 0 | 110.8 | L1285 A1317 S1318 R1324 Y1325 | L1285-V1321 HydrophobicContact CD2-CG1 3.85Å; A1317-V1321 PolarHBondContact O-N 3.08Å; A1317-V1321 VanDerWaalsContact O-N 3.16Å; S1318-V1321 PolarHBondContact O-N 3.43Å; V1321-R1324 PolarHBondContact O-N 2.83Å; V1321-Y1325 PolarHBondContact O-N 3.37Å |
| 1322 | A | 93 | Very high | 88.1 | Confident | 0 Ų | 0 | 72.6 Ų | 72.6 | 0% | 0 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -60 | -45.6 | 176 | 0 | 0 | 0 | 0 | 0 | 112.1 | L1281 L1309 S1318 A1319 R1324 Y1325 L1326 | L1281-A1322 HydrophobicContact CB-CB 4.05Å; L1309-A1322 HydrophobicContact CD2-CB 4.43Å; S1318-A1322 WeakPolarHBondContact O-CB 3.28Å; S1318-A1322 PolarHBondContact O-N 2.87Å; A1319-A1322 PolarHBondContact O-N 3.45Å; A1322-R1324 PolarHBondContact O-N 3.11Å; A1322-Y1325 WeakPolarHBondContact O-CB 3.4Å; A1322-Y1325 PolarHBondContact O-N 3.08Å; A1322-L1326 WeakPolarHBondContact O-CG 3.43Å; A1322-L1326 PolarHBondContact O-N 2.96Å |
| 1323 | I | 93.5 | Very high | 87.7 | Confident | 27 Ų | 27 | 75.1 Ų | 75.1 | 14% | 0.138 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.8 | -47.4 | 176.4 | -70.2 | 167.4 | 0 | 0 | 0 | 110.9 | L1309 K1313 A1319 Y1325 L1326 E1327 | L1309-I1323 HydrophobicContact CB-CD1 4.14Å; L1309-I1323 HydrophobicContact CB-CG1 4.01Å; K1313-I1323 HydrophobicContact CB-CD1 3.81Å; K1313-I1323 HydrophobicContact CD-CD1 3.68Å; K1313-I1323 HydrophobicContact CG-CD1 4.35Å; A1319-I1323 VanDerWaalsContact O-CG1 3.28Å; A1319-I1323 WeakPolarHBondContact O-CG1 3.49Å; A1319-I1323 PolarHBondContact O-N 3.42Å; I1323-Y1325 VanDerWaalsContact C-N 3.28Å; I1323-Y1325 PolarHBondContact O-N 3.47Å; I1323-L1326 PolarHBondContact O-N 3.29Å; I1323-L1326 VanDerWaalsContact O-N 3.15Å; I1323-E1327 HydrophobicContact CG2-CG 4.28Å; I1323-E1327 WeakPolarHBondContact O-CG 2.94Å; I1323-E1327 PolarHBondContact O-N 3.26Å |
| 1324 | R | 94 | Very high | 87.3 | Confident | 174 Ų | 174 | 73 Ų | 73 | 66% | 0.657 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -59.3 | -39.3 | 176.9 | -72.8 | 176.5 | -176.2 | 178.9 | -0.1 | 112.5 | R1320 V1321 A1322 H1328 | R1320-R1324 WeakPolarHBondContact O-CG 3.34Å; R1320-R1324 PolarHBondContact O-N 3.4Å; R1320-R1324 VanDerWaalsContact O-N 3.1Å; V1321-R1324 PolarHBondContact O-N 2.83Å; A1322-R1324 PolarHBondContact O-N 3.11Å; R1324-H1328 WeakPolarHBondContact O-CB 3.41Å; R1324-H1328 PolarHBondContact O-N 3.13Å |
| 1325 | Y | 93.8 | Very high | 87.2 | Confident | 23 Ų | 23 | 74.5 Ų | 74.5 | 9% | 0.09 | 40% | 0.399 | C | S | . | . | H | α-helix | trans | -63.2 | -48.2 | 174.7 | 170 | -106.5 | 0 | 0 | 0 | 111.1 | L1285 K1289 V1321 A1322 I1323 E1327 H1328 E1329 L1337 | L1285-Y1325 HydrophobicContact CD1-CD1 3.64Å; L1285-Y1325 HydrophobicContact CD1-CE1 4.14Å; L1285-Y1325 HydrophobicContact CD1-CG 4.15Å; K1289-Y1325 HydrophobicContact CD-CE2 4.19Å; K1289-Y1325 VanDerWaalsContact CE-CD2 3.49Å; K1289-Y1325 HydrophobicContact CG-CD2 4.38Å; K1289-Y1325 HydrophobicContact CG-CE1 4.3Å; K1289-Y1325 HydrophobicContact CG-CE2 3.7Å; V1321-Y1325 PolarHBondContact O-N 3.37Å; A1322-Y1325 WeakPolarHBondContact O-CB 3.4Å; A1322-Y1325 PolarHBondContact O-N 3.08Å; I1323-Y1325 VanDerWaalsContact C-N 3.28Å; I1323-Y1325 PolarHBondContact O-N 3.47Å; Y1325-E1327 VanDerWaalsContact C-N 3.35Å; Y1325-E1327 PolarHBondContact O-N 2.79Å; Y1325-H1328 WeakPolarHBondContact O-CB 3.31Å; Y1325-H1328 PolarHBondContact O-N 3.4Å; Y1325-E1329 HydrophobicContact CD1-CG 4.48Å; Y1325-E1329 HydrophobicContact CD2-CG 3.93Å; Y1325-E1329 HydrophobicContact CE1-CG 4.07Å; Y1325-E1329 HydrophobicContact CE2-CG 3.46Å; Y1325-E1329 VanDerWaalsContact CE2-CG 3.46Å; Y1325-E1329 WeakPolarHBondContact CE2-OE1 3.42Å; Y1325-E1329 HydrophobicContact CG-CG 4.43Å; Y1325-E1329 WeakPolarHBondContact O-CG 3.22Å; Y1325-E1329 PolarHBondContact O-N 2.8Å; Y1325-L1337 HydrophobicContact CE1-CD1 4.15Å |
| 1326 | L | 92.6 | Very high | 87.6 | Confident | 12 Ų | 12 | 72.3 Ų | 72.3 | 6% | 0.063 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -62.2 | -41.1 | 177.8 | -65.8 | -169.5 | 0 | 0 | 0 | 112.8 | L1281 I1301 L1309 A1322 I1323 H1328 E1329 A1330 L1337 | L1281-L1326 HydrophobicContact CD1-CD1 3.94Å; L1281-L1326 HydrophobicContact CD2-CD2 4.04Å; I1301-L1326 HydrophobicContact CD1-CD1 3.67Å; I1301-L1326 HydrophobicContact CD1-CD2 3.15Å; I1301-L1326 HydrophobicContact CD1-CG 4.02Å; I1301-L1326 HydrophobicContact CG2-CD1 4.29Å; L1309-L1326 HydrophobicContact CD1-CD1 4.09Å; A1322-L1326 WeakPolarHBondContact O-CG 3.43Å; A1322-L1326 PolarHBondContact O-N 2.96Å; I1323-L1326 PolarHBondContact O-N 3.29Å; I1323-L1326 VanDerWaalsContact O-N 3.15Å; L1326-H1328 VanDerWaalsContact C-N 3.35Å; L1326-E1329 PolarHBondContact O-N 2.87Å; L1326-A1330 WeakPolarHBondContact O-CB 3.28Å; L1326-A1330 PolarHBondContact O-N 3.42Å; L1326-L1337 HydrophobicContact CD2-CD1 4.06Å; L1326-L1337 HydrophobicContact CD2-CD2 4.43Å |
| 1327 | E | 91.3 | Very high | 88 | Confident | 104 Ų | 104 | 70.6 Ų | 70.6 | 49% | 0.486 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -59.7 | -47.8 | 173.8 | -73.1 | 171.7 | 167.2 | 0 | 0 | 110.1 | I1323 Y1325 E1329 A1330 H1331 | I1323-E1327 HydrophobicContact CG2-CG 4.28Å; I1323-E1327 WeakPolarHBondContact O-CG 2.94Å; I1323-E1327 PolarHBondContact O-N 3.26Å; Y1325-E1327 VanDerWaalsContact C-N 3.35Å; Y1325-E1327 PolarHBondContact O-N 2.79Å; E1327-E1329 PolarHBondContact O-N 2.87Å; E1327-A1330 PolarHBondContact O-N 3.12Å; E1327-H1331 WeakPolarHBondContact O-CB 3.3Å; E1327-H1331 PolarHBondContact O-N 3.13Å; E1327-H1331 PolarHBondContact O-ND1 3.15Å |
| 1328 | H | 89.8 | Confident | 88.1 | Confident | 136 Ų | 136 | 72.4 Ų | 72.4 | 63% | 0.63 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -59.4 | -48.6 | 178.7 | -172.5 | 72.6 | 0 | 0 | 0 | 112.5 | R1324 Y1325 L1326 A1330 H1331 G1332 | R1324-H1328 WeakPolarHBondContact O-CB 3.41Å; R1324-H1328 PolarHBondContact O-N 3.13Å; Y1325-H1328 WeakPolarHBondContact O-CB 3.31Å; Y1325-H1328 PolarHBondContact O-N 3.4Å; L1326-H1328 VanDerWaalsContact C-N 3.35Å; H1328-A1330 PolarHBondContact O-N 3.09Å; H1328-H1331 PolarHBondContact O-N 3.37Å; H1328-G1332 PolarHBondContact O-N 3.1Å |
| 1329 | E | 87.5 | Confident | 88.2 | Confident | 40 Ų | 40 | 73.2 Ų | 73.2 | 19% | 0.187 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -65.8 | -37.1 | 179.3 | -66.8 | -56.8 | 132.8 | 0 | 0 | 112.8 | Y1325 L1326 E1327 G1332 G1333 N1334 L1337 | Y1325-E1329 HydrophobicContact CD1-CG 4.48Å; Y1325-E1329 HydrophobicContact CD2-CG 3.93Å; Y1325-E1329 HydrophobicContact CE1-CG 4.07Å; Y1325-E1329 HydrophobicContact CE2-CG 3.46Å; Y1325-E1329 VanDerWaalsContact CE2-CG 3.46Å; Y1325-E1329 WeakPolarHBondContact CE2-OE1 3.42Å; Y1325-E1329 HydrophobicContact CG-CG 4.43Å; Y1325-E1329 WeakPolarHBondContact O-CG 3.22Å; Y1325-E1329 PolarHBondContact O-N 2.8Å; L1326-E1329 PolarHBondContact O-N 2.87Å; E1327-E1329 PolarHBondContact O-N 2.87Å; E1329-G1332 PolarHBondContact O-N 3.21Å; E1329-G1333 PolarHBondContact O-N 3.29Å; E1329-G1333 VanDerWaalsContact O-N 3.08Å; E1329-N1334 HydrophobicContact CB-CB 4.49Å; E1329-N1334 PolarHBondContact O-N 2.78Å; E1329-N1334 PolarHBondContact OE2-ND2 3.13Å; E1329-L1337 HydrophobicContact CB-CD1 4.42Å; E1329-L1337 HydrophobicContact CB-CD2 4.15Å; E1329-L1337 HydrophobicContact CG-CD1 4.45Å |
| 1330 | A | 84 | Confident | 88.2 | Confident | 50 Ų | 50 | 74 Ų | 74 | 41% | 0.413 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -70.7 | -38.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | L1326 E1327 H1328 G1333 L1339 | L1326-A1330 WeakPolarHBondContact O-CB 3.28Å; L1326-A1330 PolarHBondContact O-N 3.42Å; E1327-A1330 PolarHBondContact O-N 3.12Å; H1328-A1330 PolarHBondContact O-N 3.09Å; A1330-G1333 PolarHBondContact O-N 3.17Å; A1330-L1339 HydrophobicContact CB-CD1 4.04Å |
| 1331 | H | 80.6 | Confident | 87.9 | Confident | 168 Ų | 168 | 73.9 Ų | 73.9 | 78% | 0.778 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -70.5 | -34.1 | 174.4 | -74.3 | 84.1 | 0 | 0 | 0 | 112 | E1327 H1328 G1333 | E1327-H1331 WeakPolarHBondContact O-CB 3.3Å; E1327-H1331 PolarHBondContact O-N 3.13Å; E1327-H1331 PolarHBondContact O-ND1 3.15Å; H1328-H1331 PolarHBondContact O-N 3.37Å; H1331-G1333 VanDerWaalsContact C-N 3.31Å |
| 1332 | G | 77.2 | Confident | 87.2 | Confident | 68 Ų | 68 | 74.9 Ų | 74.9 | 70% | 0.701 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -73.1 | -19.9 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | H1328 E1329 | H1328-G1332 PolarHBondContact O-N 3.1Å; E1329-G1332 PolarHBondContact O-N 3.21Å |
| 1333 | G | 76.6 | Confident | 86.6 | Confident | 58 Ų | 58 | 80.4 Ų | 80.4 | 60% | 0.598 | 41% | 0.409 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 73.8 | 59.6 | 180 | 0 | 0 | 0 | 0 | 0 | 112.8 | E1329 A1330 H1331 | E1329-G1333 PolarHBondContact O-N 3.29Å; E1329-G1333 VanDerWaalsContact O-N 3.08Å; A1330-G1333 PolarHBondContact O-N 3.17Å; H1331-G1333 VanDerWaalsContact C-N 3.31Å |
| 1334 | N | 81.5 | Confident | 86.1 | Confident | 42 Ų | 42 | 79.2 Ų | 79.2 | 23% | 0.225 | 40% | 0.403 | C | S | . | . | trans | -76.6 | 124.6 | 177.8 | -166.6 | -29.7 | 0 | 0 | 0 | 112.3 | V1292 E1329 Y1336 L1337 | V1292-N1334 WeakPolarHBondContact CG1-ND2 3.37Å; E1329-N1334 HydrophobicContact CB-CB 4.49Å; E1329-N1334 PolarHBondContact O-N 2.78Å; E1329-N1334 PolarHBondContact OE2-ND2 3.13Å; N1334-Y1336 VanDerWaalsContact C-N 3.29Å; N1334-Y1336 PolarHBondContact O-N 2.94Å; N1334-Y1336 PolarHBondContact OD1-N 2.79Å; N1334-L1337 HydrophobicContact CB-CB 4.24Å | ||
| 1335 | R | 83.6 | Confident | 85.3 | Confident | 208 Ų | 208 | 75.7 Ų | 75.7 | 79% | 0.785 | 39% | 0.393 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -17.4 | 179.3 | -68.8 | -176.6 | -71.2 | 178.8 | -2.1 | 114.1 | ||
| 1336 | Y | 88.9 | Confident | 84.3 | Confident | 67 Ų | 67 | 75 Ų | 75 | 26% | 0.263 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -102.6 | -0.1 | -177.7 | -58 | -75 | 0 | 0 | 0 | 112.8 | N1295 F1297 L1299 N1334 | N1295-Y1336 HydrophobicContact CB-CD1 4.45Å; N1295-Y1336 HydrophobicContact CB-CD2 4.03Å; N1295-Y1336 HydrophobicContact CB-CE1 3.98Å; N1295-Y1336 HydrophobicContact CB-CE2 3.51Å; N1295-Y1336 HydrophobicContact CB-CG 4.46Å; N1295-Y1336 VanDerWaalsContact CB-CZ 3.46Å; N1295-Y1336 VanDerWaalsContact CG-CE2 3.41Å; N1295-Y1336 WeakPolarHBondContact O-CE1 3.5Å; N1295-Y1336 WeakPolarHBondContact OD1-CD2 3.46Å; N1295-Y1336 WeakPolarHBondContact OD1-CE2 3.49Å; F1297-Y1336 WeakPolarHBondContact O-CB 3.38Å; L1299-Y1336 PolarHBondContact N-O 3.03Å; N1334-Y1336 VanDerWaalsContact C-N 3.29Å; N1334-Y1336 PolarHBondContact O-N 2.94Å; N1334-Y1336 PolarHBondContact OD1-N 2.79Å |
| 1337 | L | 90.9 | Very high | 83.2 | Confident | 11 Ų | 11 | 82 Ų | 82 | 6% | 0.058 | 43% | 0.43 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.8 | 115.5 | 174.1 | -175.7 | 147.9 | 0 | 0 | 0 | 109.3 | V1292 L1299 I1301 Y1325 L1326 E1329 N1334 L1339 | V1292-L1337 HydrophobicContact CG1-CB 4.39Å; V1292-L1337 HydrophobicContact CG2-CB 4.3Å; V1292-L1337 HydrophobicContact CG2-CD1 3.89Å; L1299-L1337 CarbonylContact O-C 3.59Å; L1299-L1337 WeakPolarHBondContact O-CA 3.47Å; I1301-L1337 HydrophobicContact CD1-CD1 4.19Å; I1301-L1337 HydrophobicContact CD1-CD2 4.11Å; I1301-L1337 HydrophobicContact CD1-CG 4.18Å; Y1325-L1337 HydrophobicContact CE1-CD1 4.15Å; L1326-L1337 HydrophobicContact CD2-CD1 4.06Å; L1326-L1337 HydrophobicContact CD2-CD2 4.43Å; E1329-L1337 HydrophobicContact CB-CD1 4.42Å; E1329-L1337 HydrophobicContact CB-CD2 4.15Å; E1329-L1337 HydrophobicContact CG-CD1 4.45Å; N1334-L1337 HydrophobicContact CB-CB 4.24Å; L1337-L1339 HydrophobicContact CD2-CD2 4.43Å |
| 1338 | R | 88.4 | Confident | 82.1 | Confident | 96 Ų | 96 | 87.7 Ų | 87.7 | 36% | 0.362 | 45% | 0.447 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 129.4 | -176.9 | -178.3 | 179.5 | -179.1 | 166.3 | 2.6 | 110.2 | L1299 I1300 I1301 E1344 | L1299-R1338 PolarHBondContact O-N 3.07Å; I1300-R1338 CarbonylContact C-O 3.5Å; I1300-R1338 WeakPolarHBondContact CA-O 3.32Å; I1301-R1338 PolarHBondContact N-O 3.15Å; R1338-E1344 IonicContact CZ-OE1 3.33Å; R1338-E1344 IonicContact NE-OE1 2.96Å; R1338-E1344 PolarHBondContact NE-OE1 2.79Å; R1338-E1344 IonicContact NE-OE2 3.27Å; R1338-E1344 IonicContact NH2-OE1 2.63Å; R1338-E1344 PolarHBondContact NH2-OE1 3.18Å; R1338-E1344 IonicContact NH2-OE2 3.31Å |
| 1339 | L | 90.6 | Very high | 81 | Confident | 60 Ų | 60 | 84.8 Ų | 84.8 | 31% | 0.314 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 134.7 | 167.4 | -54.5 | -179.6 | 0 | 0 | 0 | 108.9 | I1301 I1306 A1330 L1337 K1341 | I1301-L1339 HydrophobicContact CB-CD2 3.79Å; I1301-L1339 HydrophobicContact CD1-CD2 3.88Å; I1301-L1339 HydrophobicContact CG1-CD2 4.1Å; I1301-L1339 HydrophobicContact CG2-CD2 4.29Å; I1306-L1339 HydrophobicContact CD1-CD2 4.14Å; A1330-L1339 HydrophobicContact CB-CD1 4.04Å; L1337-L1339 HydrophobicContact CD2-CD2 4.43Å; L1339-K1341 PolarHBondContact O-N 3.49Å |
| 1340 | Q | 90.1 | Very high | 80 | Confident | 17 Ų | 17 | 84 Ų | 84 | 8% | 0.079 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -59.6 | 124.6 | 173.9 | -176.6 | -172.8 | 18.1 | 0 | 0 | 109.4 | I1301 E1344 | I1301-Q1340 WeakPolarHBondContact O-CB 3.34Å; I1301-Q1340 PolarHBondContact O-N 3.06Å; Q1340-E1344 WeakPolarHBondContact CA-OE2 3.48Å; Q1340-E1344 HydrophobicContact CG-CB 4.11Å; Q1340-E1344 PolarHBondContact NE2-O 3.43Å |
| 1341 | K | 85.5 | Confident | 78.8 | Confident | 111 Ų | 111 | 89 Ų | 89 | 48% | 0.483 | 45% | 0.451 | S | S | . | . | P | Polyproline II helix | trans | -79.1 | 153.6 | 174.1 | -58.5 | -178.6 | -173.3 | 173.1 | 0 | 110.9 | L1339 D1343 E1344 | L1339-K1341 PolarHBondContact O-N 3.49Å; K1341-D1343 WeakPolarHBondContact CB-OD1 3.47Å; K1341-D1343 PolarHBondContact O-N 2.61Å; K1341-D1343 VanDerWaalsContact O-N 3.16Å; K1341-E1344 HydrophobicContact CB-CG 3.91Å; K1341-E1344 VanDerWaalsContact CD-OE1 3.27Å; K1341-E1344 WeakPolarHBondContact CD-OE1 3.32Å; K1341-E1344 VanDerWaalsContact CG-OE1 3.26Å; K1341-E1344 WeakPolarHBondContact CG-OE1 3.47Å; K1341-E1344 PolarHBondContact N-OE2 2.94Å; K1341-E1344 WeakPolarHBondContact O-CB 3.24Å; K1341-E1344 PolarHBondContact O-N 3.32Å |
| 1342 | P | 77.5 | Confident | 77.4 | Confident | 100 Ų | 100 | 86 Ų | 86 | 65% | 0.649 | 44% | 0.44 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.8 | -22.5 | -179.7 | 22.1 | -32.5 | 0 | 0 | 0 | 114.4 | ||
| 1343 | D | 80.3 | Confident | 75.7 | Confident | 116 Ų | 116 | 89.2 Ų | 89.2 | 62% | 0.62 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.9 | -9.9 | 174 | 56.7 | -50.4 | 0 | 0 | 0 | 114 | K1341 Q1345 | K1341-D1343 WeakPolarHBondContact CB-OD1 3.47Å; K1341-D1343 PolarHBondContact O-N 2.61Å; K1341-D1343 VanDerWaalsContact O-N 3.16Å; D1343-Q1345 VanDerWaalsContact C-N 3.34Å; D1343-Q1345 PolarHBondContact O-N 2.97Å; D1343-Q1345 VanDerWaalsContact O-N 3.15Å |
| 1344 | E | 83.1 | Confident | 73.6 | Confident | 3 Ų | 3 | 98.3 Ų | 98.3 | 1% | 0.014 | 45% | 0.453 | C | S | . | . | trans | -90.6 | 64.3 | -178 | -66.8 | 167.3 | -174.4 | 0 | 0 | 111.3 | R1338 Q1340 K1341 Y1399 | R1338-E1344 IonicContact CZ-OE1 3.33Å; R1338-E1344 IonicContact NE-OE1 2.96Å; R1338-E1344 PolarHBondContact NE-OE1 2.79Å; R1338-E1344 IonicContact NE-OE2 3.27Å; R1338-E1344 IonicContact NH2-OE1 2.63Å; R1338-E1344 PolarHBondContact NH2-OE1 3.18Å; R1338-E1344 IonicContact NH2-OE2 3.31Å; Q1340-E1344 WeakPolarHBondContact CA-OE2 3.48Å; Q1340-E1344 HydrophobicContact CG-CB 4.11Å; Q1340-E1344 PolarHBondContact NE2-O 3.43Å; K1341-E1344 HydrophobicContact CB-CG 3.91Å; K1341-E1344 VanDerWaalsContact CD-OE1 3.27Å; K1341-E1344 WeakPolarHBondContact CD-OE1 3.32Å; K1341-E1344 VanDerWaalsContact CG-OE1 3.26Å; K1341-E1344 WeakPolarHBondContact CG-OE1 3.47Å; K1341-E1344 PolarHBondContact N-OE2 2.94Å; K1341-E1344 WeakPolarHBondContact O-CB 3.24Å; K1341-E1344 PolarHBondContact O-N 3.32Å; E1344-Y1399 HydrophobicContact CB-CD1 4.06Å; E1344-Y1399 HydrophobicContact CB-CE1 3.63Å; E1344-Y1399 HydrophobicContact CG-CE1 3.84Å | ||
| 1345 | Q | 78 | Confident | 71.1 | Confident | 99 Ų | 99 | 103 Ų | 103 | 46% | 0.463 | 47% | 0.474 | S | S | . | . | trans | -121 | 149 | 174.6 | -65 | -156.3 | 3.1 | 0 | 0 | 111.4 | D1343 Y1399 | D1343-Q1345 VanDerWaalsContact C-N 3.34Å; D1343-Q1345 PolarHBondContact O-N 2.97Å; D1343-Q1345 VanDerWaalsContact O-N 3.15Å; Q1345-Y1399 VanDerWaalsContact O-CD2 3.32Å; Q1345-Y1399 WeakPolarHBondContact O-CD2 3.05Å | ||
| 1346 | P | 72.4 | Confident | 68.5 | Low | 9 Ų | 9 | 100.7 Ų | 100.7 | 6% | 0.058 | 48% | 0.477 | C | S | . | . | trans | -65.2 | 145.4 | 179.4 | 26.9 | -32.9 | 0 | 0 | 0 | 111.4 | R1348 D1395 | P1346-R1348 PolarHBondContact O-N 3.43Å; P1346-R1348 VanDerWaalsContact O-N 3.09Å; P1346-D1395 HydrophobicContact CG-CB 3.9Å | ||
| 1347 | N | 69.6 | Low | 65.6 | Low | 160 Ų | 160 | 101.7 Ų | 101.7 | 86% | 0.856 | 50% | 0.499 | S | S | * | . | S | Bend | trans | -58.8 | -24.2 | -180 | -71.5 | -24.3 | 0 | 0 | 0 | 113.5 | ||
| 1348 | R | 68 | Low | 62.6 | Low | 223 Ų | 223 | 106.8 Ų | 106.8 | 84% | 0.842 | 53% | 0.53 | S | S | * | . | S | Bend | trans | -127.5 | 100.2 | 171.2 | -67.9 | -175.6 | -176.3 | -178.4 | 0.3 | 107.7 | P1346 | P1346-R1348 PolarHBondContact O-N 3.43Å; P1346-R1348 VanDerWaalsContact O-N 3.09Å |
| 1349 | P | 67.3 | Low | 59.6 | Low | 74 Ų | 74 | 109.6 Ų | 109.6 | 48% | 0.481 | 55% | 0.547 | S | S | . | . | trans | -61.3 | 148.9 | 172.5 | 24.6 | -31.7 | 0 | 0 | 0 | 110 | E1351 | P1349-E1351 PolarHBondContact O-N 3.17Š| ||
| 1350 | I | 66.2 | Low | 56.4 | Low | 23 Ų | 23 | 114.1 Ų | 114.1 | 12% | 0.118 | 57% | 0.571 | C | S | . | * | trans | -66.7 | 105.4 | -179.7 | -67.7 | 161.5 | 0 | 0 | 0 | 109.2 | L1352 V1391 L1394 D1395 L1493 | I1350-L1352 PolarHBondContact O-N 3.05Å; I1350-V1391 HydrophobicContact CB-CG1 4.14Å; I1350-V1391 HydrophobicContact CG2-CG1 4.31Å; I1350-L1394 HydrophobicContact CD1-CB 4.19Å; I1350-L1394 HydrophobicContact CD1-CD2 3.76Å; I1350-L1394 HydrophobicContact CD1-CG 3.64Å; I1350-D1395 WeakPolarHBondContact CD1-OD1 3.2Å; I1350-D1395 VanDerWaalsContact CG1-OD1 3.26Å; I1350-D1395 WeakPolarHBondContact CG1-OD1 3.4Å; I1350-D1395 PolarHBondContact N-OD1 3.12Å; I1350-L1493 HydrophobicContact CB-CD2 4.36Å; I1350-L1493 HydrophobicContact CD1-CD2 3.65Å; I1350-L1493 HydrophobicContact CG1-CD2 4.03Å; I1350-L1493 HydrophobicContact CG2-CD1 4.07Å; I1350-L1493 HydrophobicContact CG2-CD2 3.45Å; I1350-L1493 VanDerWaalsContact CG2-CD2 3.45Å; I1350-L1493 HydrophobicContact CG2-CG 4.38Å | ||
| 1351 | E | 58.2 | Low | 53.5 | Low | 157 Ų | 157 | 120.5 Ų | 120.5 | 73% | 0.734 | 61% | 0.606 | S | S | * | * | trans | -78.3 | 114.3 | 174.1 | -71.2 | -175.5 | 175 | 0 | 0 | 110.4 | P1349 H1353 | P1349-E1351 PolarHBondContact O-N 3.17Å; E1351-H1353 PolarHBondContact O-N 3.18Å; E1351-H1353 VanDerWaalsContact O-N 3.13Å | ||
| 1352 | L | 51.5 | Low | 50.7 | Low | 103 Ų | 103 | 121.3 Ų | 121.3 | 54% | 0.539 | 62% | 0.62 | S | S | . | * | trans | -69.1 | 103.3 | 165.6 | -73 | 163.3 | 0 | 0 | 0 | 108.5 | I1350 R1354 V1387 V1391 | I1350-L1352 PolarHBondContact O-N 3.05Å; L1352-R1354 PolarHBondContact O-N 2.97Å; L1352-R1354 VanDerWaalsContact O-N 3.15Å; L1352-V1387 HydrophobicContact CD1-CG1 3.72Å; L1352-V1387 HydrophobicContact CD2-CG1 4.37Å; L1352-V1391 HydrophobicContact CD1-CG2 3.96Å; L1352-V1391 HydrophobicContact CD2-CG2 4.27Å; L1352-V1391 HydrophobicContact CG-CG2 4.15Å | ||
| 1353 | H | 41.2 | Very low | 48.3 | Very low | 136 Ų | 136 | 124.4 Ų | 124.4 | 63% | 0.63 | 63% | 0.626 | S | S | * | * | trans | -58.5 | 118.3 | 172.6 | -100 | 53 | 0 | 0 | 0 | 109.6 | E1351 Q1355 | E1351-H1353 PolarHBondContact O-N 3.18Å; E1351-H1353 VanDerWaalsContact O-N 3.13Å; H1353-Q1355 PolarHBondContact O-N 3.3Å; H1353-Q1355 VanDerWaalsContact O-N 3.12Å | ||
| 1354 | R | 32.1 | Very low | 45.8 | Very low | 250 Ų | 250 | 126.6 Ų | 126.6 | 94% | 0.943 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.1 | 5.6 | -178.8 | -105.7 | -177.3 | 179.5 | 172.8 | -0.5 | 114.2 | L1352 | L1352-R1354 PolarHBondContact O-N 2.97Å; L1352-R1354 VanDerWaalsContact O-N 3.15Å |
| 1355 | Q | 29.4 | Very low | 43 | Very low | 140 Ų | 140 | 134.1 Ų | 134.1 | 65% | 0.654 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.6 | -8.4 | -161.7 | -87.3 | 169.2 | -29.2 | 0 | 0 | 116.9 | H1353 A1357 | H1353-Q1355 PolarHBondContact O-N 3.3Å; H1353-Q1355 VanDerWaalsContact O-N 3.12Å; Q1355-A1357 PolarHBondContact O-N 2.92Å |
| 1356 | D | 28.8 | Very low | 40.6 | Very low | 159 Ų | 159 | 137.2 Ų | 137.2 | 85% | 0.85 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.5 | 20.5 | 178.8 | -61.3 | -25.3 | 0 | 0 | 0 | 114.1 | ||
| 1357 | A | 28.9 | Very low | 38.6 | Very low | 88 Ų | 88 | 142.5 Ų | 142.5 | 73% | 0.727 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.2 | -6.8 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115 | Q1355 | Q1355-A1357 PolarHBondContact O-N 2.92Š|
| 1358 | V | 27.4 | Very low | 36.6 | Very low | 118 Ų | 118 | 142.7 Ų | 142.7 | 72% | 0.715 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -143.2 | -11.1 | -174.3 | -172.3 | 0 | 0 | 0 | 0 | 116.9 | ||
| 1359 | H | 25.1 | Very low | 34.7 | Very low | 156 Ų | 156 | 138.9 Ų | 138.9 | 72% | 0.722 | 73% | 0.73 | S | S | * | * | trans | -134.1 | 74.8 | -175.4 | -83.6 | -14.3 | 0 | 0 | 0 | 114.2 | ||||
| 1360 | N | 24.3 | Very low | 32.7 | Very low | 154 Ų | 154 | 144.6 Ų | 144.6 | 82% | 0.824 | 75% | 0.75 | S | S | * | * | S | Bend | trans | -123.6 | 147.6 | 135 | -72.9 | -37.6 | 0 | 0 | 0 | 105.5 | ||
| 1361 | D | 28.1 | Very low | 31 | Very low | 151 Ų | 151 | 152.6 Ų | 152.6 | 81% | 0.807 | 79% | 0.788 | S | S | * | * | trans | 98 | 45.7 | -177 | -47.6 | -19.8 | 0 | 0 | 0 | 117.3 | ||||
| 1362 | V | 27.2 | Very low | 29.3 | Very low | 129 Ų | 129 | 154.8 Ų | 154.8 | 78% | 0.782 | 80% | 0.798 | S | S | * | * | S | Bend | trans | -147 | 75.6 | 144.7 | -169.8 | 0 | 0 | 0 | 0 | 109.1 | ||
| 1363 | Q | 27.8 | Very low | 28.1 | Very low | 165 Ų | 165 | 158.8 Ų | 158.8 | 77% | 0.771 | 81% | 0.814 | S | S | * | * | S | Bend | trans | -179.6 | 79.2 | 140.6 | -154.1 | 69.6 | 32.3 | 0 | 0 | 107.8 | ||
| 1364 | D | 26.8 | Very low | 27.4 | Very low | 161 Ų | 161 | 157.8 Ų | 157.8 | 86% | 0.861 | 82% | 0.819 | S | S | * | * | trans | 167.2 | 67.2 | 152 | -82.8 | -13.5 | 0 | 0 | 0 | 109.1 | ||||
| 1365 | L | 24.3 | Very low | 27 | Very low | 161 Ų | 161 | 156.1 Ų | 156.1 | 84% | 0.843 | 82% | 0.819 | S | S | * | * | trans | -134.6 | 79.5 | 169.7 | -108.3 | 152 | 0 | 0 | 0 | 107.7 | ||||
| 1366 | I | 28.6 | Very low | 27 | Very low | 165 Ų | 165 | 155.9 Ų | 155.9 | 85% | 0.846 | 83% | 0.827 | S | S | * | * | trans | -137.3 | 87.6 | 153.4 | -54.9 | 178.7 | 0 | 0 | 0 | 106.4 | ||||
| 1367 | T | 29.3 | Very low | 26.9 | Very low | 120 Ų | 120 | 153.3 Ų | 153.3 | 74% | 0.736 | 82% | 0.821 | S | S | * | * | S | Bend | trans | -179.4 | 117.6 | 132.3 | 38.5 | 0 | 0 | 0 | 0 | 108.2 | ||
| 1368 | D | 27.3 | Very low | 26.9 | Very low | 163 Ų | 163 | 154 Ų | 154 | 87% | 0.872 | 83% | 0.827 | S | S | * | * | trans | -55.4 | 130.9 | -178.8 | -50.8 | -63.7 | 0 | 0 | 0 | 112.3 | ||||
| 1369 | T | 29.1 | Very low | 27.1 | Very low | 144 Ų | 144 | 155.3 Ų | 155.3 | 88% | 0.883 | 83% | 0.83 | S | S | * | * | trans | -160.9 | 115.9 | 147 | 9.7 | 0 | 0 | 0 | 0 | 108.6 | E1371 | T1369-E1371 PolarHBondContact O-N 2.81Š| ||
| 1370 | E | 26.1 | Very low | 27.7 | Very low | 193 Ų | 193 | 156.9 Ų | 156.9 | 90% | 0.902 | 84% | 0.837 | S | S | * | * | trans | -69.7 | 115.1 | 179.1 | -59.1 | 175.6 | 153.5 | 0 | 0 | 110.2 | ||||
| 1371 | E | 28.6 | Very low | 28.4 | Very low | 192 Ų | 192 | 153.3 Ų | 153.3 | 90% | 0.897 | 83% | 0.825 | S | S | * | * | trans | -144.2 | 134.3 | 151.5 | -73.4 | -162.6 | 164.3 | 0 | 0 | 109.6 | T1369 E1373 | T1369-E1371 PolarHBondContact O-N 2.81Å; E1371-E1373 PolarHBondContact O-N 3.4Å | ||
| 1372 | E | 23.6 | Very low | 29.4 | Very low | 203 Ų | 203 | 152.1 Ų | 152.1 | 95% | 0.949 | 82% | 0.818 | S | S | * | * | P | Polyproline II helix | trans | -62.4 | 120.9 | -167.9 | -67.4 | 179.4 | 134.4 | 0 | 0 | 114 | ||
| 1373 | E | 25.9 | Very low | 31 | Very low | 187 Ų | 187 | 148.7 Ų | 148.7 | 87% | 0.874 | 80% | 0.795 | S | S | * | * | P | Polyproline II helix | trans | -84.2 | 137.4 | 168.6 | -88.3 | -163.3 | 150.8 | 0 | 0 | 112.8 | E1371 | E1371-E1373 PolarHBondContact O-N 3.4Š|
| 1374 | P | 27.6 | Very low | 32.8 | Very low | 115 Ų | 115 | 147.6 Ų | 147.6 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -83 | 137.2 | -179 | 33 | -32.3 | 0 | 0 | 0 | 112.6 | V1376 | P1374-V1376 PolarHBondContact O-N 3.38Å; P1374-V1376 VanDerWaalsContact O-N 3.09Å |
| 1375 | K | 23.6 | Very low | 34.8 | Very low | 214 Ų | 214 | 149.1 Ų | 149.1 | 93% | 0.93 | 79% | 0.787 | S | S | * | * | trans | -57.9 | 103.9 | 179.1 | -67.5 | 172 | 178.7 | 171.5 | 0 | 112.6 | ||||
| 1376 | V | 29.2 | Very low | 37 | Very low | 135 Ų | 135 | 142 Ų | 142 | 82% | 0.818 | 75% | 0.75 | S | S | * | * | P | Polyproline II helix | trans | -80.8 | 123.3 | 166.6 | 178.5 | 0 | 0 | 0 | 0 | 109.6 | P1374 | P1374-V1376 PolarHBondContact O-N 3.38Å; P1374-V1376 VanDerWaalsContact O-N 3.09Å |
| 1377 | S | 25.1 | Very low | 39 | Very low | 105 Ų | 105 | 135.2 Ų | 135.2 | 73% | 0.734 | 72% | 0.716 | S | S | * | * | P | Polyproline II helix | trans | -68 | 140.6 | 179.8 | 49.9 | 0 | 0 | 0 | 0 | 113 | ||
| 1378 | A | 29.6 | Very low | 41.4 | Very low | 103 Ų | 103 | 138.2 Ų | 138.2 | 85% | 0.851 | 71% | 0.714 | S | S | * | * | P | Polyproline II helix | trans | -51.3 | 129.4 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1379 | N | 32.7 | Very low | 44.1 | Very low | 145 Ų | 145 | 131.3 Ų | 131.3 | 78% | 0.775 | 68% | 0.676 | S | S | * | * | P | Polyproline II helix | trans | -58.3 | 129.3 | 176.4 | -72.4 | -34.6 | 0 | 0 | 0 | 113.3 | S1381 | N1379-S1381 PolarHBondContact O-N 2.98Š|
| 1380 | Q | 36.2 | Very low | 46.8 | Very low | 189 Ų | 189 | 124.6 Ų | 124.6 | 88% | 0.883 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -55 | 120.8 | 167.5 | -75.4 | 170.3 | -22.3 | 0 | 0 | 110.5 | L1382 | Q1380-L1382 PolarHBondContact O-N 3.33Š|
| 1381 | S | 39.3 | Very low | 49.5 | Very low | 79 Ų | 79 | 116.2 Ų | 116.2 | 55% | 0.552 | 60% | 0.596 | S | S | * | * | trans | -71.1 | 110.1 | 179.9 | 60 | 0 | 0 | 0 | 0 | 111.1 | N1379 N1383 | N1379-S1381 PolarHBondContact O-N 2.98Å; S1381-N1383 PolarHBondContact O-N 3.46Å | ||
| 1382 | L | 50.4 | Low | 52.3 | Low | 127 Ų | 127 | 110.1 Ų | 110.1 | 67% | 0.665 | 57% | 0.57 | S | S | * | * | trans | -51.5 | 123.8 | 174.8 | -74.3 | 160.9 | 0 | 0 | 0 | 111.8 | Q1380 L1384 V1387 | Q1380-L1382 PolarHBondContact O-N 3.33Å; L1382-L1384 PolarHBondContact O-N 3.1Å; L1382-V1387 HydrophobicContact CB-CG2 4.47Å | ||
| 1383 | N | 60.1 | Low | 55.5 | Low | 57 Ų | 57 | 100.5 Ų | 100.5 | 31% | 0.305 | 53% | 0.525 | S | S | . | . | trans | -67.2 | 106.4 | 177.3 | -175.1 | -31.3 | 0 | 0 | 0 | 110.7 | S1381 R1385 I1386 V1387 | S1381-N1383 PolarHBondContact O-N 3.46Å; N1383-R1385 PolarHBondContact O-N 2.85Å; N1383-R1385 WeakPolarHBondContact OD1-CB 3.38Å; N1383-R1385 PolarHBondContact OD1-N 3.46Å; N1383-I1386 HydrophobicContact CB-CD1 3.75Å; N1383-I1386 HydrophobicContact CB-CG1 4.01Å; N1383-I1386 WeakPolarHBondContact O-CB 3.48Å; N1383-I1386 PolarHBondContact O-N 3.43Å; N1383-V1387 PolarHBondContact O-N 2.87Å | ||
| 1384 | L | 65.8 | Low | 58.5 | Low | 142 Ų | 142 | 91.6 Ų | 91.6 | 74% | 0.743 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -55.8 | -25.6 | -174.9 | -70.8 | 171.6 | 0 | 0 | 0 | 114.4 | L1382 I1386 R1388 | L1382-L1384 PolarHBondContact O-N 3.1Å; L1384-I1386 VanDerWaalsContact C-N 3.31Å; L1384-R1388 VanDerWaalsContact O-CB 3.3Å; L1384-R1388 WeakPolarHBondContact O-CB 3.42Å; L1384-R1388 PolarHBondContact O-N 3.34Å |
| 1385 | R | 69.1 | Low | 61.4 | Low | 193 Ų | 193 | 86.8 Ų | 86.8 | 73% | 0.728 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -66.2 | -37.6 | 176.9 | -68.7 | -176.4 | 174.9 | -178.3 | 0.7 | 111.6 | N1383 R1388 R1389 | N1383-R1385 PolarHBondContact O-N 2.85Å; N1383-R1385 WeakPolarHBondContact OD1-CB 3.38Å; N1383-R1385 PolarHBondContact OD1-N 3.46Å; R1385-R1388 PolarHBondContact O-N 3.42Å; R1385-R1389 PolarHBondContact O-N 3.15Å |
| 1386 | I | 69.2 | Low | 64.6 | Low | 12 Ų | 12 | 76.6 Ų | 76.6 | 6% | 0.062 | 41% | 0.407 | C | S | . | . | H | α-helix | trans | -71 | -47 | -178.4 | -54.9 | -179 | 0 | 0 | 0 | 109.7 | N1383 L1384 R1388 R1389 W1390 D1482 | N1383-I1386 HydrophobicContact CB-CD1 3.75Å; N1383-I1386 HydrophobicContact CB-CG1 4.01Å; N1383-I1386 WeakPolarHBondContact O-CB 3.48Å; N1383-I1386 PolarHBondContact O-N 3.43Å; L1384-I1386 VanDerWaalsContact C-N 3.31Å; I1386-R1388 VanDerWaalsContact C-N 3.3Å; I1386-R1388 PolarHBondContact O-N 2.91Å; I1386-R1389 WeakPolarHBondContact O-CB 3.43Å; I1386-R1389 PolarHBondContact O-N 3.46Å; I1386-R1389 VanDerWaalsContact O-N 3.17Å; I1386-W1390 PolarHBondContact O-N 3.37Å; I1386-D1482 VanDerWaalsContact CD1-C 3.48Å; I1386-D1482 WeakPolarHBondContact CD1-O 3.33Å |
| 1387 | V | 72.4 | Confident | 67.5 | Low | 21 Ų | 21 | 70.1 Ų | 70.1 | 13% | 0.127 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -57.1 | -46.9 | 175.2 | -178.4 | 0 | 0 | 0 | 0 | 110 | L1352 L1382 N1383 R1389 W1390 V1391 P1487 | L1352-V1387 HydrophobicContact CD1-CG1 3.72Å; L1352-V1387 HydrophobicContact CD2-CG1 4.37Å; L1382-V1387 HydrophobicContact CB-CG2 4.47Å; N1383-V1387 PolarHBondContact O-N 2.87Å; V1387-R1389 PolarHBondContact O-N 3.18Å; V1387-W1390 PolarHBondContact O-N 3.39Å; V1387-V1391 HydrophobicContact CG1-CG2 4.48Å; V1387-V1391 WeakPolarHBondContact O-CG2 3.26Å; V1387-V1391 PolarHBondContact O-N 3.33Å; V1387-P1487 HydrophobicContact CG2-CG 4.24Å |
| 1388 | R | 78.7 | Confident | 70.5 | Confident | 183 Ų | 183 | 65.2 Ų | 65.2 | 69% | 0.691 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -64.2 | -36.7 | 178.7 | -165.5 | 169.8 | -171.6 | 161.6 | 1.5 | 113.1 | L1384 R1385 I1386 N1392 | L1384-R1388 VanDerWaalsContact O-CB 3.3Å; L1384-R1388 WeakPolarHBondContact O-CB 3.42Å; L1384-R1388 PolarHBondContact O-N 3.34Å; R1385-R1388 PolarHBondContact O-N 3.42Å; I1386-R1388 VanDerWaalsContact C-N 3.3Å; I1386-R1388 PolarHBondContact O-N 2.91Å; R1388-N1392 PolarHBondContact O-N 2.99Å; R1388-N1392 VanDerWaalsContact O-N 3.11Å; R1388-N1392 PolarHBondContact O-ND2 3.06Å |
| 1389 | R | 83.9 | Confident | 73.3 | Confident | 19 Ų | 19 | 62.9 Ų | 62.9 | 7% | 0.072 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.9 | -50.1 | 174.3 | -175.2 | -176.3 | 76.8 | -152.4 | -1.2 | 110.7 | H1308 R1385 I1386 V1387 N1392 I1393 D1483 | H1308-R1389 PolarHBondContact CE1-NH1 3.02Å; H1308-R1389 PolarHBondContact ND1-NH1 2.91Å; H1308-R1389 PolarHBondContact NE2-NH1 3.33Å; R1385-R1389 PolarHBondContact O-N 3.15Å; I1386-R1389 WeakPolarHBondContact O-CB 3.43Å; I1386-R1389 PolarHBondContact O-N 3.46Å; I1386-R1389 VanDerWaalsContact O-N 3.17Å; V1387-R1389 PolarHBondContact O-N 3.18Å; R1389-N1392 PolarHBondContact O-N 2.89Å; R1389-I1393 HydrophobicContact CG-CD1 4.1Å; R1389-I1393 WeakPolarHBondContact O-CG1 3Å; R1389-I1393 PolarHBondContact O-N 3.48Å; R1389-D1483 PolarHBondContact NH2-O 3.37Å |
| 1390 | W | 85 | Confident | 75.9 | Confident | 3 Ų | 3 | 56.3 Ų | 56.3 | 1% | 0.011 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.8 | -44.4 | -179 | -80.1 | 117.1 | 0 | 0 | 0 | 112.5 | I1386 V1387 N1392 I1393 L1394 I1472 I1474 V1486 F1490 | I1386-W1390 PolarHBondContact O-N 3.37Å; V1387-W1390 PolarHBondContact O-N 3.39Å; W1390-N1392 VanDerWaalsContact C-N 3.31Å; W1390-N1392 PolarHBondContact O-N 2.92Å; W1390-I1393 HydrophobicContact CE3-CD1 4.16Å; W1390-I1393 HydrophobicContact CZ3-CD1 4.4Å; W1390-I1393 PolarHBondContact O-N 2.86Å; W1390-I1393 VanDerWaalsContact O-N 3.13Å; W1390-L1394 PolarHBondContact O-N 3.47Å; W1390-I1472 HydrophobicContact CZ3-CG2 4.43Å; W1390-I1474 HydrophobicContact CH2-CB 4.5Å; W1390-I1474 HydrophobicContact CH2-CD1 3.98Å; W1390-I1474 HydrophobicContact CH2-CG1 3.9Å; W1390-I1474 HydrophobicContact CH2-CG2 3.98Å; W1390-I1474 HydrophobicContact CZ3-CD1 4.36Å; W1390-I1474 HydrophobicContact CZ3-CG1 4.3Å; W1390-V1486 HydrophobicContact CH2-CG2 3.87Å; W1390-V1486 HydrophobicContact CZ2-CG2 3.47Å; W1390-V1486 VanDerWaalsContact CZ2-CG2 3.47Å; W1390-F1490 VanDerWaalsContact C-CE2 3.47Å; W1390-F1490 HydrophobicContact CB-CD2 3.92Å; W1390-F1490 HydrophobicContact CB-CE2 3.69Å; W1390-F1490 HydrophobicContact CB-CZ 4.11Å; W1390-F1490 HydrophobicContact CD2-CE1 4.27Å; W1390-F1490 HydrophobicContact CD2-CZ 4.29Å; W1390-F1490 HydrophobicContact CE3-CD1 4.26Å; W1390-F1490 AromaticContact CE3-CE1 3.49Å; W1390-F1490 HydrophobicContact CE3-CE1 3.49Å; W1390-F1490 VanDerWaalsContact CE3-CE1 3.49Å; W1390-F1490 HydrophobicContact CE3-CE2 4.29Å; W1390-F1490 AromaticContact CE3-CZ 3.51Å; W1390-F1490 HydrophobicContact CE3-CZ 3.51Å; W1390-F1490 AromaticContact CZ3-CE1 3.96Å; W1390-F1490 HydrophobicContact CZ3-CE1 3.96Å; W1390-F1490 HydrophobicContact CZ3-CZ 4.3Å; W1390-F1490 WeakPolarHBondContact O-CE2 3.27Å; W1390-F1490 WeakPolarHBondContact O-CZ 3.34Å |
| 1391 | V | 84.6 | Confident | 78.3 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 10% | 0.103 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -56.2 | -45.9 | 175.2 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | I1350 L1352 V1387 I1393 L1394 D1395 | I1350-V1391 HydrophobicContact CB-CG1 4.14Å; I1350-V1391 HydrophobicContact CG2-CG1 4.31Å; L1352-V1391 HydrophobicContact CD1-CG2 3.96Å; L1352-V1391 HydrophobicContact CD2-CG2 4.27Å; L1352-V1391 HydrophobicContact CG-CG2 4.15Å; V1387-V1391 HydrophobicContact CG1-CG2 4.48Å; V1387-V1391 WeakPolarHBondContact O-CG2 3.26Å; V1387-V1391 PolarHBondContact O-N 3.33Å; V1391-I1393 VanDerWaalsContact C-N 3.35Å; V1391-I1393 PolarHBondContact O-N 3.39Å; V1391-L1394 CarbonylContact O-C 3.54Å; V1391-L1394 PolarHBondContact O-N 3.05Å; V1391-L1394 VanDerWaalsContact O-N 3.13Å; V1391-D1395 PolarHBondContact O-N 2.88Å |
| 1392 | N | 87.5 | Confident | 80.4 | Confident | 64 Ų | 64 | 47 Ų | 47 | 34% | 0.342 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -65.7 | -34.9 | 178.3 | -67.6 | -16.4 | 0 | 0 | 0 | 113.3 | A1304 R1388 R1389 W1390 L1394 C1396 | A1304-N1392 HydrophobicContact CB-CB 3.58Å; R1388-N1392 PolarHBondContact O-N 2.99Å; R1388-N1392 VanDerWaalsContact O-N 3.11Å; R1388-N1392 PolarHBondContact O-ND2 3.06Å; R1389-N1392 PolarHBondContact O-N 2.89Å; W1390-N1392 VanDerWaalsContact C-N 3.31Å; W1390-N1392 PolarHBondContact O-N 2.92Å; N1392-L1394 VanDerWaalsContact C-N 3.31Å; N1392-C1396 PolarHBondContact O-N 3.35Å; N1392-C1396 VanDerWaalsContact O-N 3.09Å |
| 1393 | I | 90.2 | Very high | 81.8 | Confident | 0 Ų | 0 | 43.7 Ų | 43.7 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.1 | -40.9 | 173.8 | -69 | 168.1 | 0 | 0 | 0 | 109.8 | V1275 P1302 V1305 R1389 W1390 V1391 C1396 A1397 I1472 | V1275-I1393 HydrophobicContact CG1-CG2 4.05Å; P1302-I1393 HydrophobicContact CB-CG1 4.39Å; P1302-I1393 HydrophobicContact CG-CG1 4.26Å; P1302-I1393 HydrophobicContact CG-CG2 4.43Å; V1305-I1393 HydrophobicContact CG2-CD1 3.96Å; V1305-I1393 HydrophobicContact CG2-CG1 4.03Å; R1389-I1393 HydrophobicContact CG-CD1 4.1Å; R1389-I1393 WeakPolarHBondContact O-CG1 3Å; R1389-I1393 PolarHBondContact O-N 3.48Å; W1390-I1393 HydrophobicContact CE3-CD1 4.16Å; W1390-I1393 HydrophobicContact CZ3-CD1 4.4Å; W1390-I1393 PolarHBondContact O-N 2.86Å; W1390-I1393 VanDerWaalsContact O-N 3.13Å; V1391-I1393 VanDerWaalsContact C-N 3.35Å; V1391-I1393 PolarHBondContact O-N 3.39Å; I1393-C1396 WeakPolarHBondContact O-CB 3.42Å; I1393-C1396 PolarHBondContact O-N 2.98Å; I1393-A1397 PolarHBondContact O-N 2.97Å; I1393-I1472 HydrophobicContact CG2-CD1 4.2Å; I1393-I1472 HydrophobicContact CG2-CG1 4.42Å; I1393-I1472 HydrophobicContact CG2-CG2 4Å |
| 1394 | L | 89 | Confident | 82.7 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -72 | -37.5 | 178.1 | -177.3 | 57.6 | 0 | 0 | 0 | 112.9 | I1350 W1390 V1391 N1392 C1396 A1397 S1398 I1472 F1490 L1493 A1494 V1499 | I1350-L1394 HydrophobicContact CD1-CB 4.19Å; I1350-L1394 HydrophobicContact CD1-CD2 3.76Å; I1350-L1394 HydrophobicContact CD1-CG 3.64Å; W1390-L1394 PolarHBondContact O-N 3.47Å; V1391-L1394 CarbonylContact O-C 3.54Å; V1391-L1394 PolarHBondContact O-N 3.05Å; V1391-L1394 VanDerWaalsContact O-N 3.13Å; N1392-L1394 VanDerWaalsContact C-N 3.31Å; L1394-C1396 VanDerWaalsContact C-N 3.29Å; L1394-C1396 PolarHBondContact O-N 2.9Å; L1394-A1397 PolarHBondContact O-N 3.15Å; L1394-S1398 VanDerWaalsContact O-CB 3.3Å; L1394-S1398 WeakPolarHBondContact O-CB 3.35Å; L1394-S1398 PolarHBondContact O-N 3.16Å; L1394-I1472 HydrophobicContact CD1-CD1 4Å; L1394-F1490 HydrophobicContact CB-CE2 3.55Å; L1394-F1490 HydrophobicContact CB-CZ 3.75Å; L1394-F1490 HydrophobicContact CD2-CD2 4.22Å; L1394-F1490 HydrophobicContact CD2-CE2 3.77Å; L1394-F1490 HydrophobicContact CD2-CZ 4.3Å; L1394-F1490 HydrophobicContact CG-CE2 4.26Å; L1394-F1490 HydrophobicContact CG-CZ 4.48Å; L1394-L1493 HydrophobicContact CD2-CB 4.2Å; L1394-L1493 HydrophobicContact CD2-CD2 3.44Å; L1394-L1493 VanDerWaalsContact CD2-CD2 3.44Å; L1394-L1493 HydrophobicContact CD2-CG 4.45Å; L1394-A1494 HydrophobicContact CD1-CB 3.69Å; L1394-A1494 HydrophobicContact CD2-CB 4.12Å; L1394-V1499 HydrophobicContact CD1-CB 4.11Å; L1394-V1499 HydrophobicContact CD1-CG1 4.27Å; L1394-V1499 HydrophobicContact CD1-CG2 4.15Å |
| 1395 | D | 88.9 | Confident | 83 | Confident | 13 Ų | 13 | 41.4 Ų | 41.4 | 7% | 0.07 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -57.8 | -45.2 | 172.1 | -81 | -32.3 | 0 | 0 | 0 | 110.6 | P1346 I1350 V1391 S1398 Y1399 | P1346-D1395 HydrophobicContact CG-CB 3.9Å; I1350-D1395 WeakPolarHBondContact CD1-OD1 3.2Å; I1350-D1395 VanDerWaalsContact CG1-OD1 3.26Å; I1350-D1395 WeakPolarHBondContact CG1-OD1 3.4Å; I1350-D1395 PolarHBondContact N-OD1 3.12Å; V1391-D1395 PolarHBondContact O-N 2.88Å; D1395-S1398 PolarHBondContact O-N 2.93Å; D1395-Y1399 PolarHBondContact O-N 3.43Å |
| 1396 | C | 89.3 | Confident | 83 | Confident | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.6 | -51.4 | 173.5 | -177.8 | 0 | 0 | 0 | 0 | 110.7 | I1300 P1302 N1392 I1393 L1394 S1398 Y1399 F1400 | I1300-C1396 VanDerWaalsContact CG2-SG 3.59Å; P1302-C1396 HydrophobicContact CB-CB 4.08Å; P1302-C1396 HydrophobicContact CG-CB 4.12Å; N1392-C1396 PolarHBondContact O-N 3.35Å; N1392-C1396 VanDerWaalsContact O-N 3.09Å; I1393-C1396 WeakPolarHBondContact O-CB 3.42Å; I1393-C1396 PolarHBondContact O-N 2.98Å; L1394-C1396 VanDerWaalsContact C-N 3.29Å; L1394-C1396 PolarHBondContact O-N 2.9Å; C1396-S1398 VanDerWaalsContact C-N 3.33Å; C1396-S1398 PolarHBondContact O-N 2.91Å; C1396-Y1399 PolarHBondContact O-N 2.92Å; C1396-F1400 WeakPolarHBondContact O-CD2 3.28Å; C1396-F1400 PolarHBondContact O-N 3.37Å |
| 1397 | A | 90.8 | Very high | 82.4 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -38.7 | 180 | 0 | 0 | 0 | 0 | 0 | 113 | V1275 I1393 L1394 F1400 A1401 V1470 I1472 V1499 | V1275-A1397 HydrophobicContact CB-CB 4.4Å; V1275-A1397 HydrophobicContact CG2-CB 3.9Å; I1393-A1397 PolarHBondContact O-N 2.97Å; L1394-A1397 PolarHBondContact O-N 3.15Å; A1397-F1400 PolarHBondContact O-N 3.18Å; A1397-A1401 WeakPolarHBondContact O-CB 3.38Å; A1397-A1401 PolarHBondContact O-N 3.37Å; A1397-V1470 HydrophobicContact CB-CG1 4.08Å; A1397-I1472 HydrophobicContact CB-CD1 3.8Å; A1397-I1472 HydrophobicContact CB-CG1 3.77Å; A1397-V1499 HydrophobicContact CB-CB 4.46Å; A1397-V1499 HydrophobicContact CB-CG1 3.71Å; A1397-V1499 HydrophobicContact CB-CG2 3.89Å |
| 1398 | S | 88.1 | Confident | 81.4 | Confident | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -65 | -42.2 | 178.6 | -168.4 | 0 | 0 | 0 | 0 | 111.8 | L1394 D1395 C1396 F1400 A1401 Q1402 H1497 | L1394-S1398 VanDerWaalsContact O-CB 3.3Å; L1394-S1398 WeakPolarHBondContact O-CB 3.35Å; L1394-S1398 PolarHBondContact O-N 3.16Å; D1395-S1398 PolarHBondContact O-N 2.93Å; C1396-S1398 VanDerWaalsContact C-N 3.33Å; C1396-S1398 PolarHBondContact O-N 2.91Å; S1398-F1400 VanDerWaalsContact C-N 3.34Å; S1398-F1400 PolarHBondContact O-N 3.03Å; S1398-A1401 PolarHBondContact O-N 2.94Å; S1398-A1401 VanDerWaalsContact O-N 3.16Å; S1398-Q1402 WeakPolarHBondContact O-CB 3.26Å; S1398-Q1402 VanDerWaalsContact O-CG 3.31Å; S1398-Q1402 WeakPolarHBondContact O-CG 3.11Å; S1398-Q1402 PolarHBondContact O-N 3.44Å; S1398-Q1402 PolarHBondContact OG-NE2 3.46Å; S1398-Q1402 VanDerWaalsContact OG-NE2 3.13Å; S1398-H1497 PolarHBondContact OG-CD2 2.62Å; S1398-H1497 VanDerWaalsContact OG-CD2 3.24Å |
| 1399 | Y | 89.3 | Confident | 79.7 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 21% | 0.212 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -56.2 | -47.6 | 174.6 | 172.4 | -96.2 | 0 | 0 | 0 | 111.8 | E1344 Q1345 D1395 C1396 A1401 Q1402 T1403 | E1344-Y1399 HydrophobicContact CB-CD1 4.06Å; E1344-Y1399 HydrophobicContact CB-CE1 3.63Å; E1344-Y1399 HydrophobicContact CG-CE1 3.84Å; Q1345-Y1399 VanDerWaalsContact O-CD2 3.32Å; Q1345-Y1399 WeakPolarHBondContact O-CD2 3.05Å; D1395-Y1399 PolarHBondContact O-N 3.43Å; C1396-Y1399 PolarHBondContact O-N 2.92Å; Y1399-A1401 PolarHBondContact O-N 2.85Å; Y1399-Q1402 PolarHBondContact O-N 3.02Å; Y1399-T1403 HydrophobicContact CD2-CG2 4.49Å; Y1399-T1403 HydrophobicContact CE1-CG2 4.17Å; Y1399-T1403 HydrophobicContact CE2-CG2 4.08Å; Y1399-T1403 WeakPolarHBondContact O-CG2 3.45Å; Y1399-T1403 PolarHBondContact O-N 3.43Å; Y1399-T1403 PolarHBondContact O-OG1 3.36Å |
| 1400 | F | 86.6 | Confident | 77.6 | Confident | 7 Ų | 7 | 48 Ų | 48 | 3% | 0.031 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -68.7 | -33.3 | 177.4 | -73.6 | -74.1 | 0 | 0 | 0 | 112.6 | I1300 C1396 A1397 S1398 T1403 L1404 V1470 | I1300-F1400 HydrophobicContact CB-CE2 4.46Å; I1300-F1400 HydrophobicContact CD1-CB 4.1Å; I1300-F1400 HydrophobicContact CD1-CD1 3.77Å; I1300-F1400 HydrophobicContact CD1-CD2 3.48Å; I1300-F1400 VanDerWaalsContact CD1-CD2 3.48Å; I1300-F1400 HydrophobicContact CD1-CE1 4.03Å; I1300-F1400 HydrophobicContact CD1-CE2 3.79Å; I1300-F1400 HydrophobicContact CD1-CG 3.48Å; I1300-F1400 VanDerWaalsContact CD1-CG 3.48Å; I1300-F1400 HydrophobicContact CD1-CZ 4.06Å; I1300-F1400 HydrophobicContact CG1-CD2 4.32Å; I1300-F1400 HydrophobicContact CG1-CE2 4.16Å; I1300-F1400 HydrophobicContact CG1-CZ 4.25Å; I1300-F1400 HydrophobicContact CG2-CD2 4.03Å; I1300-F1400 HydrophobicContact CG2-CE2 3.53Å; I1300-F1400 HydrophobicContact CG2-CZ 4.15Å; C1396-F1400 WeakPolarHBondContact O-CD2 3.28Å; C1396-F1400 PolarHBondContact O-N 3.37Å; A1397-F1400 PolarHBondContact O-N 3.18Å; S1398-F1400 VanDerWaalsContact C-N 3.34Å; S1398-F1400 PolarHBondContact O-N 3.03Å; F1400-T1403 VanDerWaalsContact CA-OG1 3.32Å; F1400-T1403 WeakPolarHBondContact CA-OG1 3.31Å; F1400-T1403 PolarHBondContact O-OG1 3.03Å; F1400-T1403 VanDerWaalsContact O-OG1 3.09Å; F1400-L1404 VanDerWaalsContact O-CD1 3.26Å; F1400-L1404 WeakPolarHBondContact O-CD1 3.48Å; F1400-L1404 WeakPolarHBondContact O-CG 3.01Å; F1400-L1404 PolarHBondContact O-N 3.32Å; F1400-V1470 HydrophobicContact CB-CG2 4.15Å |
| 1401 | A | 85.7 | Confident | 75.2 | Confident | 1 Ų | 1 | 52.1 Ų | 52.1 | 1% | 0.008 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.2 | -37.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | A1397 S1398 Y1399 K1405 V1470 V1499 | A1397-A1401 WeakPolarHBondContact O-CB 3.38Å; A1397-A1401 PolarHBondContact O-N 3.37Å; S1398-A1401 PolarHBondContact O-N 2.94Å; S1398-A1401 VanDerWaalsContact O-N 3.16Å; Y1399-A1401 PolarHBondContact O-N 2.85Å; A1401-K1405 WeakPolarHBondContact O-CG 3.33Å; A1401-K1405 PolarHBondContact O-N 2.98Å; A1401-V1470 HydrophobicContact CB-CB 4.44Å; A1401-V1470 HydrophobicContact CB-CG2 3.96Å; A1401-V1499 HydrophobicContact CB-CG2 4.22Å |
| 1402 | Q | 83.4 | Confident | 72.8 | Confident | 71 Ų | 71 | 58.9 Ų | 58.9 | 33% | 0.332 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -71.3 | -47.3 | 178.4 | -71.9 | 174.7 | 28.2 | 0 | 0 | 112 | S1398 Y1399 L1404 K1405 D1406 | S1398-Q1402 WeakPolarHBondContact O-CB 3.26Å; S1398-Q1402 VanDerWaalsContact O-CG 3.31Å; S1398-Q1402 WeakPolarHBondContact O-CG 3.11Å; S1398-Q1402 PolarHBondContact O-N 3.44Å; S1398-Q1402 PolarHBondContact OG-NE2 3.46Å; S1398-Q1402 VanDerWaalsContact OG-NE2 3.13Å; Y1399-Q1402 PolarHBondContact O-N 3.02Å; Q1402-L1404 PolarHBondContact O-N 2.83Å; Q1402-K1405 WeakPolarHBondContact O-CA 3.39Å; Q1402-K1405 WeakPolarHBondContact O-CB 3.4Å; Q1402-K1405 PolarHBondContact O-N 3.41Å; Q1402-D1406 PolarHBondContact O-N 3.44Å |
| 1403 | T | 80.6 | Confident | 70.3 | Confident | 57 Ų | 57 | 61.7 Ų | 61.7 | 35% | 0.35 | 34% | 0.342 | S | S | . | . | H | α-helix | trans | -58.3 | -34.5 | 178.4 | 44.4 | 0 | 0 | 0 | 0 | 112.6 | Y1399 F1400 S1407 | Y1399-T1403 HydrophobicContact CD2-CG2 4.49Å; Y1399-T1403 HydrophobicContact CE1-CG2 4.17Å; Y1399-T1403 HydrophobicContact CE2-CG2 4.08Å; Y1399-T1403 WeakPolarHBondContact O-CG2 3.45Å; Y1399-T1403 PolarHBondContact O-N 3.43Å; Y1399-T1403 PolarHBondContact O-OG1 3.36Å; F1400-T1403 VanDerWaalsContact CA-OG1 3.32Å; F1400-T1403 WeakPolarHBondContact CA-OG1 3.31Å; F1400-T1403 PolarHBondContact O-OG1 3.03Å; F1400-T1403 VanDerWaalsContact O-OG1 3.09Å; T1403-S1407 PolarHBondContact O-N 2.97Å |
| 1404 | L | 77.9 | Confident | 67.5 | Low | 39 Ų | 39 | 70.8 Ų | 70.8 | 20% | 0.204 | 38% | 0.381 | C | S | . | . | H | α-helix | trans | -73.4 | -29.3 | 173.8 | -67.9 | 167.2 | 0 | 0 | 0 | 113.9 | F1273 F1400 Q1402 S1407 N1408 P1469 V1470 | F1273-L1404 HydrophobicContact CD2-CD1 3.35Å; F1273-L1404 HydrophobicContact CD2-CD2 4.29Å; F1273-L1404 HydrophobicContact CD2-CG 4.4Å; F1273-L1404 HydrophobicContact CE2-CD1 3.46Å; F1273-L1404 VanDerWaalsContact CE2-CD1 3.46Å; F1273-L1404 HydrophobicContact CE2-CD2 3.48Å; F1273-L1404 VanDerWaalsContact CE2-CD2 3.48Å; F1273-L1404 HydrophobicContact CE2-CG 4.05Å; F1273-L1404 HydrophobicContact CG-CD1 4.16Å; F1273-L1404 HydrophobicContact CZ-CD1 4.31Å; F1273-L1404 HydrophobicContact CZ-CD2 3.91Å; F1400-L1404 VanDerWaalsContact O-CD1 3.26Å; F1400-L1404 WeakPolarHBondContact O-CD1 3.48Å; F1400-L1404 WeakPolarHBondContact O-CG 3.01Å; F1400-L1404 PolarHBondContact O-N 3.32Å; Q1402-L1404 PolarHBondContact O-N 2.83Å; L1404-S1407 PolarHBondContact O-OG 2.87Å; L1404-N1408 PolarHBondContact O-ND2 3.37Å; L1404-P1469 HydrophobicContact CD1-CB 4Å; L1404-P1469 HydrophobicContact CD1-CG 4.43Å; L1404-V1470 HydrophobicContact CD1-CG2 4.02Å |
| 1405 | K | 72.7 | Confident | 64.5 | Low | 113 Ų | 113 | 76.2 Ų | 76.2 | 49% | 0.491 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -72.4 | -40.1 | 173.7 | -78.3 | 177.9 | 179.8 | 174.5 | 0 | 111.1 | A1401 Q1402 N1408 K1409 | A1401-K1405 WeakPolarHBondContact O-CG 3.33Å; A1401-K1405 PolarHBondContact O-N 2.98Å; Q1402-K1405 WeakPolarHBondContact O-CA 3.39Å; Q1402-K1405 WeakPolarHBondContact O-CB 3.4Å; Q1402-K1405 PolarHBondContact O-N 3.41Å; K1405-N1408 PolarHBondContact O-N 2.75Å; K1405-K1409 PolarHBondContact O-N 3.45Å |
| 1406 | D | 68.5 | Low | 61.7 | Low | 97 Ų | 97 | 82.2 Ų | 82.2 | 52% | 0.519 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -72 | -33.1 | -178.4 | -67.7 | -23.8 | 0 | 0 | 0 | 112.1 | Q1402 N1408 K1409 | Q1402-D1406 PolarHBondContact O-N 3.44Å; D1406-N1408 PolarHBondContact O-N 2.73Å; D1406-K1409 PolarHBondContact O-N 2.88Å; D1406-K1409 IonicContact OD1-NZ 2.96Å |
| 1407 | S | 57 | Low | 58.7 | Low | 71 Ų | 71 | 90 Ų | 90 | 50% | 0.497 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.6 | -26.5 | 171.8 | 63.1 | 0 | 0 | 0 | 0 | 113.3 | T1403 L1404 | T1403-S1407 PolarHBondContact O-N 2.97Å; L1404-S1407 PolarHBondContact O-OG 2.87Å |
| 1408 | N | 51.1 | Low | 55.7 | Low | 125 Ų | 125 | 98.5 Ų | 98.5 | 67% | 0.668 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -88.7 | -14.6 | 179.5 | -72.1 | -14.9 | 0 | 0 | 0 | 113.7 | L1404 K1405 D1406 S1410 | L1404-N1408 PolarHBondContact O-ND2 3.37Å; K1405-N1408 PolarHBondContact O-N 2.75Å; D1406-N1408 PolarHBondContact O-N 2.73Å; N1408-S1410 VanDerWaalsContact C-N 3.3Å; N1408-S1410 PolarHBondContact O-N 3.27Å |
| 1409 | K | 43 | Very low | 52.7 | Low | 157 Ų | 157 | 106.1 Ų | 106.1 | 68% | 0.683 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.2 | -1.6 | -179.7 | -79.5 | 179.7 | -177.4 | 167.8 | 0 | 114.3 | K1405 D1406 S1411 | K1405-K1409 PolarHBondContact O-N 3.45Å; D1406-K1409 PolarHBondContact O-N 2.88Å; D1406-K1409 IonicContact OD1-NZ 2.96Å; K1409-S1411 PolarHBondContact O-N 3.06Å; K1409-S1411 VanDerWaalsContact O-N 3.16Å |
| 1410 | S | 40.6 | Very low | 49.5 | Very low | 115 Ų | 115 | 109.1 Ų | 109.1 | 80% | 0.804 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.4 | 12.5 | 176.3 | 90.6 | 0 | 0 | 0 | 0 | 114.3 | N1408 | N1408-S1410 VanDerWaalsContact C-N 3.3Å; N1408-S1410 PolarHBondContact O-N 3.27Å |
| 1411 | S | 34.9 | Very low | 46.7 | Very low | 91 Ų | 91 | 117 Ų | 117 | 64% | 0.636 | 65% | 0.646 | S | S | * | * | S | Bend | trans | -125.3 | 121.6 | 171 | 58.7 | 0 | 0 | 0 | 0 | 110.6 | K1409 | K1409-S1411 PolarHBondContact O-N 3.06Å; K1409-S1411 VanDerWaalsContact O-N 3.16Å |
| 1412 | D | 33.8 | Very low | 43.7 | Very low | 159 Ų | 159 | 124.8 Ų | 124.8 | 85% | 0.85 | 69% | 0.686 | S | S | * | * | trans | -38.8 | 133.6 | -170.7 | -88.6 | -43.7 | 0 | 0 | 0 | 116.6 | ||||
| 1413 | P | 34.8 | Very low | 41 | Very low | 123 Ų | 123 | 130.6 Ų | 130.6 | 80% | 0.799 | 71% | 0.71 | S | S | * | * | trans | -91 | 108.7 | 179.6 | 34.5 | -28.8 | 0 | 0 | 0 | 111 | ||||
| 1414 | K | 30.7 | Very low | 38.4 | Very low | 191 Ų | 191 | 137 Ų | 137 | 83% | 0.83 | 74% | 0.736 | S | S | * | * | trans | -116.9 | 107.2 | 163.8 | -77.5 | -173.1 | 179.6 | 176.5 | 0 | 111.3 | ||||
| 1415 | S | 27.4 | Very low | 36.1 | Very low | 115 Ų | 115 | 139.3 Ų | 139.3 | 80% | 0.804 | 76% | 0.761 | S | S | * | * | trans | 40 | 100 | 147.9 | 63.4 | 0 | 0 | 0 | 0 | 118.3 | ||||
| 1416 | V | 29.2 | Very low | 34.1 | Very low | 139 Ų | 139 | 138.3 Ų | 138.3 | 84% | 0.842 | 76% | 0.764 | S | S | * | * | trans | -121.6 | 109.4 | 149.3 | 179.4 | 0 | 0 | 0 | 0 | 107.4 | K1418 | V1416-K1418 PolarHBondContact O-N 3.05Š| ||
| 1417 | N | 26.4 | Very low | 32.5 | Very low | 163 Ų | 163 | 138.7 Ų | 138.7 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | -73.7 | 116.5 | -179.9 | -149.6 | 3.9 | 0 | 0 | 0 | 108.3 | ||||
| 1418 | K | 27.1 | Very low | 31.5 | Very low | 179 Ų | 179 | 138.4 Ų | 138.4 | 78% | 0.778 | 77% | 0.772 | S | S | * | * | trans | -71 | 130.8 | 172.4 | -68.8 | 176.3 | 175.3 | -178.8 | 0 | 108.2 | V1416 | V1416-K1418 PolarHBondContact O-N 3.05Š| ||
| 1419 | N | 25.1 | Very low | 30.8 | Very low | 161 Ų | 161 | 135.5 Ų | 135.5 | 86% | 0.861 | 76% | 0.757 | S | S | * | * | trans | 149.8 | 87.3 | 146.7 | -74.3 | -14.7 | 0 | 0 | 0 | 111.5 | ||||
| 1420 | S | 23.9 | Very low | 30.5 | Very low | 118 Ų | 118 | 133.4 Ų | 133.4 | 83% | 0.825 | 75% | 0.75 | S | S | * | * | trans | -179 | 67 | 146.7 | 61.9 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1421 | L | 26 | Very low | 30.5 | Very low | 173 Ų | 173 | 133.7 Ų | 133.7 | 91% | 0.906 | 74% | 0.738 | S | S | * | * | trans | -147.2 | 80.1 | 164.2 | -101.9 | 157.7 | 0 | 0 | 0 | 107.4 | ||||
| 1422 | L | 24 | Very low | 30.8 | Very low | 163 Ų | 163 | 133.7 Ų | 133.7 | 85% | 0.853 | 73% | 0.728 | S | S | * | * | trans | -118.6 | 130.8 | 175.8 | -120.9 | 129.3 | 0 | 0 | 0 | 106.8 | ||||
| 1423 | K | 26 | Very low | 31.2 | Very low | 194 Ų | 194 | 128.4 Ų | 128.4 | 84% | 0.843 | 70% | 0.699 | S | S | * | * | trans | 94.4 | 94.2 | 174.2 | -56.3 | 177.1 | 178.2 | -177.9 | 0 | 116.3 | ||||
| 1424 | Q | 26.7 | Very low | 31.5 | Very low | 192 Ų | 192 | 125.5 Ų | 125.5 | 90% | 0.897 | 68% | 0.677 | S | S | * | * | 172.1 | 97.4 | 120.2 | -92.9 | 171.4 | 3.4 | 0 | 0 | 108 | |||||
| 1425 | A | 28.6 | Very low | 32.1 | Very low | 87 Ų | 87 | 120.9 Ų | 120.9 | 72% | 0.719 | 66% | 0.662 | S | S | * | * | trans | -103.4 | 125.5 | 166.3 | 0 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1426 | T | 30.8 | Very low | 32.8 | Very low | 92 Ų | 92 | 118.3 Ų | 118.3 | 56% | 0.564 | 64% | 0.638 | S | S | * | * | trans | -104.5 | 155.1 | -177.6 | 48.6 | 0 | 0 | 0 | 0 | 110.6 | S1428 D1429 | T1426-S1428 PolarHBondContact O-N 2.77Å; T1426-S1428 PolarHBondContact OG1-OG 3.12Å; T1426-D1429 PolarHBondContact O-N 3.03Å | ||
| 1427 | S | 35.3 | Very low | 33.3 | Very low | 105 Ų | 105 | 113 Ų | 113 | 73% | 0.734 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -53.3 | -8 | -176.4 | 54.3 | 0 | 0 | 0 | 0 | 117 | D1429 | S1427-D1429 VanDerWaalsContact C-N 3.33Š|
| 1428 | S | 35.7 | Very low | 33.9 | Very low | 64 Ų | 64 | 114.2 Ų | 114.2 | 45% | 0.448 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -68.4 | -27.5 | 176.3 | 53.1 | 0 | 0 | 0 | 0 | 113.9 | T1426 | T1426-S1428 PolarHBondContact O-N 2.77Å; T1426-S1428 PolarHBondContact OG1-OG 3.12Å |
| 1429 | D | 36.1 | Very low | 34.5 | Very low | 64 Ų | 64 | 108.2 Ų | 108.2 | 34% | 0.342 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -76.9 | -27.7 | -175.3 | -71.4 | -34.8 | 0 | 0 | 0 | 113 | T1426 S1427 I1433 | T1426-D1429 PolarHBondContact O-N 3.03Å; S1427-D1429 VanDerWaalsContact C-N 3.33Å; D1429-I1433 WeakPolarHBondContact O-CG1 3.25Å; D1429-I1433 PolarHBondContact O-N 3.49Å |
| 1430 | E | 37.2 | Very low | 35.2 | Very low | 114 Ų | 114 | 101.6 Ų | 101.6 | 53% | 0.533 | 54% | 0.544 | S | S | . | . | H | α-helix | trans | -67.8 | -39.4 | 176.2 | -81.8 | -179.5 | 160.8 | 0 | 0 | 112.3 | E1432 I1433 N1434 | E1430-E1432 PolarHBondContact O-N 3.42Å; E1430-I1433 PolarHBondContact O-N 3.41Å; E1430-N1434 PolarHBondContact O-N 3.44Å; E1430-N1434 PolarHBondContact O-ND2 3.3Å |
| 1431 | Q | 41.2 | Very low | 35.8 | Very low | 121 Ų | 121 | 100.5 Ų | 100.5 | 57% | 0.565 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -65.1 | -41.4 | -179.3 | -160.7 | 74.8 | 17.6 | 0 | 0 | 111.4 | I1433 N1434 D1435 | Q1431-I1433 PolarHBondContact O-N 3.37Å; Q1431-N1434 PolarHBondContact O-N 3.46Å; Q1431-D1435 WeakPolarHBondContact O-CB 3.46Å; Q1431-D1435 PolarHBondContact O-N 3.06Å |
| 1432 | E | 41.9 | Very low | 36.2 | Very low | 90 Ų | 90 | 94 Ų | 94 | 42% | 0.421 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.2 | -36.2 | 178.3 | -77 | -173.8 | 177 | 0 | 0 | 112.3 | E1430 L1436 K1466 | E1430-E1432 PolarHBondContact O-N 3.42Å; E1432-L1436 WeakPolarHBondContact O-CB 3.43Å; E1432-L1436 PolarHBondContact O-N 2.96Å; E1432-K1466 IonicContact OE2-NZ 3.45Å; E1432-K1466 PolarHBondContact OE2-NZ 2.86Å |
| 1433 | I | 40.2 | Very low | 36.4 | Very low | 48 Ų | 48 | 89.3 Ų | 89.3 | 25% | 0.246 | 48% | 0.476 | C | S | . | . | H | α-helix | trans | -70.1 | -42.3 | 176.3 | -67.3 | 166.7 | 0 | 0 | 0 | 110.3 | D1429 E1430 Q1431 D1435 L1436 L1437 L1459 L1462 | D1429-I1433 WeakPolarHBondContact O-CG1 3.25Å; D1429-I1433 PolarHBondContact O-N 3.49Å; E1430-I1433 PolarHBondContact O-N 3.41Å; Q1431-I1433 PolarHBondContact O-N 3.37Å; I1433-D1435 VanDerWaalsContact C-N 3.32Å; I1433-D1435 PolarHBondContact O-N 3.27Å; I1433-L1436 WeakPolarHBondContact O-CB 3.31Å; I1433-L1436 PolarHBondContact O-N 2.63Å; I1433-L1437 HydrophobicContact CG2-CD1 3.81Å; I1433-L1437 HydrophobicContact CG2-CG 4.26Å; I1433-L1437 WeakPolarHBondContact O-CB 3.42Å; I1433-L1437 VanDerWaalsContact O-CG 3.32Å; I1433-L1437 WeakPolarHBondContact O-CG 3.48Å; I1433-L1437 PolarHBondContact O-N 2.74Å; I1433-L1459 HydrophobicContact CD1-CD2 3.59Å; I1433-L1462 HydrophobicContact CD1-CD1 3.89Å |
| 1434 | N | 42.5 | Very low | 36.7 | Very low | 62 Ų | 62 | 84.6 Ų | 84.6 | 33% | 0.332 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -62 | -41.4 | 175.4 | -73.9 | -29.8 | 0 | 0 | 0 | 111.4 | E1430 Q1431 L1436 L1437 Y1438 | E1430-N1434 PolarHBondContact O-N 3.44Å; E1430-N1434 PolarHBondContact O-ND2 3.3Å; Q1431-N1434 PolarHBondContact O-N 3.46Å; N1434-L1436 VanDerWaalsContact C-N 3.33Å; N1434-L1436 PolarHBondContact O-N 3.48Å; N1434-L1437 PolarHBondContact O-N 3.1Å; N1434-Y1438 VanDerWaalsContact O-CB 3.25Å; N1434-Y1438 WeakPolarHBondContact O-CB 3.37Å; N1434-Y1438 PolarHBondContact O-N 3.01Å |
| 1435 | D | 42.9 | Very low | 36.7 | Very low | 95 Ų | 95 | 79.9 Ų | 79.9 | 51% | 0.508 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.2 | -39.3 | 174.4 | -71 | -15.9 | 0 | 0 | 0 | 111.6 | Q1431 I1433 S1439 | Q1431-D1435 WeakPolarHBondContact O-CB 3.46Å; Q1431-D1435 PolarHBondContact O-N 3.06Å; I1433-D1435 VanDerWaalsContact C-N 3.32Å; I1433-D1435 PolarHBondContact O-N 3.27Å; D1435-S1439 VanDerWaalsContact O-CB 3.26Å; D1435-S1439 WeakPolarHBondContact O-CB 3.37Å; D1435-S1439 PolarHBondContact O-N 3.48Å; D1435-S1439 PolarHBondContact O-OG 3.32Å |
| 1436 | L | 42.3 | Very low | 36.6 | Very low | 60 Ų | 60 | 81.3 Ų | 81.3 | 31% | 0.314 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 175.1 | -161.7 | 99.3 | 0 | 0 | 0 | 111.4 | E1432 I1433 N1434 S1439 L1440 | E1432-L1436 WeakPolarHBondContact O-CB 3.43Å; E1432-L1436 PolarHBondContact O-N 2.96Å; I1433-L1436 WeakPolarHBondContact O-CB 3.31Å; I1433-L1436 PolarHBondContact O-N 2.63Å; N1434-L1436 VanDerWaalsContact C-N 3.33Å; N1434-L1436 PolarHBondContact O-N 3.48Å; L1436-S1439 PolarHBondContact O-N 3.38Å; L1436-S1439 PolarHBondContact O-OG 3.5Å; L1436-L1440 HydrophobicContact CD2-CD1 4.22Å; L1436-L1440 HydrophobicContact CG-CD1 4.45Å; L1436-L1440 WeakPolarHBondContact O-CG 3.41Å; L1436-L1440 PolarHBondContact O-N 2.98Å |
| 1437 | L | 39.5 | Very low | 36.6 | Very low | 29 Ų | 29 | 79.5 Ų | 79.5 | 15% | 0.152 | 43% | 0.427 | C | S | . | . | H | α-helix | trans | -64.3 | -40.5 | 179.3 | -71.6 | 169 | 0 | 0 | 0 | 111.9 | I1433 N1434 S1439 L1440 N1441 I1442 L1450 | I1433-L1437 HydrophobicContact CG2-CD1 3.81Å; I1433-L1437 HydrophobicContact CG2-CG 4.26Å; I1433-L1437 WeakPolarHBondContact O-CB 3.42Å; I1433-L1437 VanDerWaalsContact O-CG 3.32Å; I1433-L1437 WeakPolarHBondContact O-CG 3.48Å; I1433-L1437 PolarHBondContact O-N 2.74Å; N1434-L1437 PolarHBondContact O-N 3.1Å; L1437-S1439 VanDerWaalsContact C-N 3.35Å; L1437-L1440 PolarHBondContact O-N 3.28Å; L1437-N1441 PolarHBondContact O-N 2.74Å; L1437-I1442 HydrophobicContact CD2-CD1 3.75Å; L1437-L1450 HydrophobicContact CD1-CD1 4.15Å; L1437-L1450 HydrophobicContact CD2-CD1 4.45Å |
| 1438 | Y | 39.3 | Very low | 36.3 | Very low | 188 Ų | 188 | 80.4 Ų | 80.4 | 74% | 0.737 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -64.3 | -41 | 174 | -154.6 | -87.9 | 0 | 0 | 0 | 110.9 | N1434 L1440 N1441 | N1434-Y1438 VanDerWaalsContact O-CB 3.25Å; N1434-Y1438 WeakPolarHBondContact O-CB 3.37Å; N1434-Y1438 PolarHBondContact O-N 3.01Å; Y1438-L1440 VanDerWaalsContact C-N 3.25Å; Y1438-L1440 PolarHBondContact O-N 3.19Å; Y1438-N1441 PolarHBondContact O-N 3.32Å; Y1438-N1441 VanDerWaalsContact O-N 3.13Å |
| 1439 | S | 39.2 | Very low | 35.8 | Very low | 52 Ų | 52 | 81.6 Ų | 81.6 | 36% | 0.364 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -67.2 | -24 | 176.1 | 79.6 | 0 | 0 | 0 | 0 | 114 | D1435 L1436 L1437 N1441 | D1435-S1439 VanDerWaalsContact O-CB 3.26Å; D1435-S1439 WeakPolarHBondContact O-CB 3.37Å; D1435-S1439 PolarHBondContact O-N 3.48Å; D1435-S1439 PolarHBondContact O-OG 3.32Å; L1436-S1439 PolarHBondContact O-N 3.38Å; L1436-S1439 PolarHBondContact O-OG 3.5Å; L1437-S1439 VanDerWaalsContact C-N 3.35Å; S1439-N1441 VanDerWaalsContact C-N 3.29Å |
| 1440 | L | 39.6 | Very low | 35.3 | Very low | 22 Ų | 22 | 81 Ų | 81 | 12% | 0.115 | 42% | 0.421 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.8 | 0.8 | 175.4 | -70 | 171.3 | 0 | 0 | 0 | 113.2 | L1436 L1437 Y1438 I1442 I1474 L1491 | L1436-L1440 HydrophobicContact CD2-CD1 4.22Å; L1436-L1440 HydrophobicContact CG-CD1 4.45Å; L1436-L1440 WeakPolarHBondContact O-CG 3.41Å; L1436-L1440 PolarHBondContact O-N 2.98Å; L1437-L1440 PolarHBondContact O-N 3.28Å; Y1438-L1440 VanDerWaalsContact C-N 3.25Å; Y1438-L1440 PolarHBondContact O-N 3.19Å; L1440-I1442 VanDerWaalsContact C-N 3.27Å; L1440-I1442 HydrophobicContact CB-CD1 4.34Å; L1440-I1442 HydrophobicContact CB-CG1 4.25Å; L1440-I1442 PolarHBondContact O-N 3.2Å; L1440-I1474 HydrophobicContact CD2-CD1 3.76Å; L1440-L1491 HydrophobicContact CD1-CD1 3.74Å |
| 1441 | N | 36.9 | Very low | 35 | Very low | 95 Ų | 95 | 80.9 Ų | 80.9 | 51% | 0.508 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 57.1 | 37.5 | 178.3 | -108.9 | 7.3 | 0 | 0 | 0 | 113.4 | L1437 Y1438 S1439 S1443 M1485 | L1437-N1441 PolarHBondContact O-N 2.74Å; Y1438-N1441 PolarHBondContact O-N 3.32Å; Y1438-N1441 VanDerWaalsContact O-N 3.13Å; S1439-N1441 VanDerWaalsContact C-N 3.29Å; N1441-S1443 PolarHBondContact O-N 3.19Å; N1441-M1485 WeakPolarHBondContact O-CE 3.43Å |
| 1442 | I | 34.3 | Very low | 34.5 | Very low | 36 Ų | 36 | 84.1 Ų | 84.1 | 19% | 0.185 | 44% | 0.436 | C | S | . | . | trans | -78.9 | 115.3 | 170.4 | -59 | 174.1 | 0 | 0 | 0 | 107 | L1437 L1440 | L1437-I1442 HydrophobicContact CD2-CD1 3.75Å; L1440-I1442 VanDerWaalsContact C-N 3.27Å; L1440-I1442 HydrophobicContact CB-CD1 4.34Å; L1440-I1442 HydrophobicContact CB-CG1 4.25Å; L1440-I1442 PolarHBondContact O-N 3.2Å | ||
| 1443 | S | 28.3 | Very low | 34 | Very low | 66 Ų | 66 | 87.3 Ų | 87.3 | 46% | 0.462 | 45% | 0.451 | S | S | . | . | trans | -57.5 | 142.7 | -171.6 | 178.3 | 0 | 0 | 0 | 0 | 113.1 | N1441 P1445 Y1446 | N1441-S1443 PolarHBondContact O-N 3.19Å; S1443-P1445 WeakPolarHBondContact O-CD 3.47Å; S1443-P1445 WeakPolarHBondContact OG-CD 3.39Å; S1443-Y1446 PolarHBondContact O-N 2.96Å | ||
| 1444 | P | 32.1 | Very low | 33.3 | Very low | 94 Ų | 94 | 88.1 Ų | 88.1 | 61% | 0.61 | 46% | 0.46 | S | S | * | . | G | 310 helix | trans | -54.6 | -30.9 | -171.3 | -26.3 | 33.9 | 0 | 0 | 0 | 118.8 | Y1446 V1447 | P1444-Y1446 PolarHBondContact O-N 3.02Å; P1444-V1447 PolarHBondContact O-N 3.12Å |
| 1445 | P | 27.5 | Very low | 32.6 | Very low | 93 Ų | 93 | 88.5 Ų | 88.5 | 60% | 0.604 | 47% | 0.468 | S | S | * | . | G | 310 helix | trans | -64.7 | -12.2 | -176.6 | -17.1 | 29.8 | 0 | 0 | 0 | 113.8 | S1443 | S1443-P1445 WeakPolarHBondContact O-CD 3.47Å; S1443-P1445 WeakPolarHBondContact OG-CD 3.39Å |
| 1446 | Y | 25.9 | Very low | 32 | Very low | 118 Ų | 118 | 89.2 Ų | 89.2 | 46% | 0.463 | 48% | 0.476 | S | S | . | . | G | 310 helix | trans | -99 | -6.3 | -179.1 | -81.9 | -87.7 | 0 | 0 | 0 | 114.6 | S1443 P1444 D1448 L1449 L1450 | S1443-Y1446 PolarHBondContact O-N 2.96Å; P1444-Y1446 PolarHBondContact O-N 3.02Å; Y1446-D1448 VanDerWaalsContact C-N 3.33Å; Y1446-L1449 HydrophobicContact CD1-CD1 4.06Å; Y1446-L1449 HydrophobicContact CE1-CD1 4.2Å; Y1446-L1449 PolarHBondContact O-N 2.97Å; Y1446-L1450 PolarHBondContact O-N 3.39Å |
| 1447 | V | 31 | Very low | 31.6 | Very low | 54 Ų | 54 | 92.3 Ų | 92.3 | 33% | 0.327 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67 | -36.4 | 177 | 178 | 0 | 0 | 0 | 0 | 111 | P1444 L1449 L1450 N1451 | P1444-V1447 PolarHBondContact O-N 3.12Å; V1447-L1449 VanDerWaalsContact C-N 3.3Å; V1447-L1449 PolarHBondContact O-N 3.46Å; V1447-L1450 PolarHBondContact O-N 3.24Å; V1447-N1451 PolarHBondContact O-N 3.49Å |
| 1448 | D | 28.6 | Very low | 31.2 | Very low | 123 Ų | 123 | 93.8 Ų | 93.8 | 66% | 0.658 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -71.1 | -24.3 | 179 | -73.6 | -20.1 | 0 | 0 | 0 | 113.4 | Y1446 | Y1446-D1448 VanDerWaalsContact C-N 3.33Å |
| 1449 | L | 26.1 | Very low | 30.8 | Very low | 89 Ų | 89 | 88.1 Ų | 88.1 | 47% | 0.466 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -76.8 | -39.1 | 175.5 | -93.6 | 152 | 0 | 0 | 0 | 112 | Y1446 V1447 N1451 K1452 E1453 | Y1446-L1449 HydrophobicContact CD1-CD1 4.06Å; Y1446-L1449 HydrophobicContact CE1-CD1 4.2Å; Y1446-L1449 PolarHBondContact O-N 2.97Å; V1447-L1449 VanDerWaalsContact C-N 3.3Å; V1447-L1449 PolarHBondContact O-N 3.46Å; L1449-N1451 VanDerWaalsContact C-N 3.33Å; L1449-N1451 PolarHBondContact O-N 3.36Å; L1449-K1452 PolarHBondContact O-N 3.4Å; L1449-K1452 VanDerWaalsContact O-N 3.15Å; L1449-E1453 PolarHBondContact O-N 3.45Å |
| 1450 | L | 25.4 | Very low | 30.4 | Very low | 52 Ų | 52 | 90.3 Ų | 90.3 | 27% | 0.272 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -37 | 176.7 | -81.3 | 166.4 | 0 | 0 | 0 | 112.5 | L1437 Y1446 V1447 K1452 C1454 | L1437-L1450 HydrophobicContact CD1-CD1 4.15Å; L1437-L1450 HydrophobicContact CD2-CD1 4.45Å; Y1446-L1450 PolarHBondContact O-N 3.39Å; V1447-L1450 PolarHBondContact O-N 3.24Å; L1450-K1452 PolarHBondContact O-N 2.67Å; L1450-C1454 PolarHBondContact O-N 3.28Å |
| 1451 | N | 30.6 | Very low | 30.3 | Very low | 112 Ų | 112 | 94.9 Ų | 94.9 | 60% | 0.599 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -69.9 | -21.4 | 176.6 | -73.3 | -21.8 | 0 | 0 | 0 | 113.2 | V1447 L1449 | V1447-N1451 PolarHBondContact O-N 3.49Å; L1449-N1451 VanDerWaalsContact C-N 3.33Å; L1449-N1451 PolarHBondContact O-N 3.36Å |
| 1452 | K | 31.6 | Very low | 30.3 | Very low | 188 Ų | 188 | 93.1 Ų | 93.1 | 82% | 0.817 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -85.6 | -26.5 | 178.2 | -93 | -176.6 | 175.4 | 178.3 | 0 | 114.1 | L1449 L1450 | L1449-K1452 PolarHBondContact O-N 3.4Å; L1449-K1452 VanDerWaalsContact O-N 3.15Å; L1450-K1452 PolarHBondContact O-N 2.67Å |
| 1453 | E | 29.9 | Very low | 30.3 | Very low | 157 Ų | 157 | 94.7 Ų | 94.7 | 73% | 0.734 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -110.8 | -14.6 | -174 | -70.5 | -171.8 | 169.1 | 0 | 0 | 115.5 | L1449 S1455 | L1449-E1453 PolarHBondContact O-N 3.45Å; E1453-S1455 PolarHBondContact O-N 2.89Å |
| 1454 | C | 25.8 | Very low | 31 | Very low | 65 Ų | 65 | 97.9 Ų | 97.9 | 44% | 0.439 | 53% | 0.525 | S | S | . | . | trans | -76.8 | 91.5 | 176.1 | -92.5 | 0 | 0 | 0 | 0 | 111.8 | L1450 E1458 | L1450-C1454 PolarHBondContact O-N 3.28Å; C1454-E1458 PolarHBondContact SG-OE2 2.93Å; C1454-E1458 VanDerWaalsContact SG-OE2 3.32Å | ||
| 1455 | S | 28.2 | Very low | 31.9 | Very low | 71 Ų | 71 | 94.4 Ų | 94.4 | 50% | 0.497 | 50% | 0.502 | S | S | . | . | trans | -61.8 | 143.8 | 166.3 | 71.8 | 0 | 0 | 0 | 0 | 110.9 | E1453 N1457 E1458 | E1453-S1455 PolarHBondContact O-N 2.89Å; S1455-N1457 PolarHBondContact O-N 3.48Å; S1455-E1458 PolarHBondContact O-N 3.33Å | ||
| 1456 | T | 31.1 | Very low | 33.1 | Very low | 110 Ų | 110 | 92.9 Ų | 92.9 | 68% | 0.675 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -53.1 | -13 | -172.8 | 48.9 | 0 | 0 | 0 | 0 | 116.3 | ||
| 1457 | N | 33.1 | Very low | 34.9 | Very low | 125 Ų | 125 | 90.3 Ų | 90.3 | 67% | 0.668 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -74.7 | -28.8 | 175.7 | -73.3 | -24.7 | 0 | 0 | 0 | 113.2 | S1455 | S1455-N1457 PolarHBondContact O-N 3.48Å |
| 1458 | E | 31.8 | Very low | 37 | Very low | 59 Ų | 59 | 88.1 Ų | 88.1 | 28% | 0.276 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -76.9 | -29.1 | -178.4 | -67.3 | -172 | 148.6 | 0 | 0 | 112.7 | C1454 S1455 N1460 E1461 L1462 K1492 | C1454-E1458 PolarHBondContact SG-OE2 2.93Å; C1454-E1458 VanDerWaalsContact SG-OE2 3.32Å; S1455-E1458 PolarHBondContact O-N 3.33Å; E1458-N1460 PolarHBondContact O-N 2.94Å; E1458-E1461 PolarHBondContact O-N 3.44Å; E1458-L1462 PolarHBondContact O-N 3.09Å; E1458-K1492 IonicContact OE1-NZ 2.84Å; E1458-K1492 PolarHBondContact OE1-NZ 2.92Å |
| 1459 | L | 29.3 | Very low | 39.5 | Very low | 70 Ų | 70 | 84.1 Ų | 84.1 | 37% | 0.366 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -59.8 | -32.5 | 174.2 | -88.1 | 157.2 | 0 | 0 | 0 | 112.5 | I1433 | I1433-L1459 HydrophobicContact CD1-CD2 3.59Å |
| 1460 | N | 32.2 | Very low | 42.5 | Very low | 98 Ų | 98 | 79.9 Ų | 79.9 | 52% | 0.524 | 43% | 0.428 | S | S | . | . | H | α-helix | trans | -72.8 | -28.8 | 175.5 | -78.4 | -33.7 | 0 | 0 | 0 | 112.6 | E1458 S1463 | E1458-N1460 PolarHBondContact O-N 2.94Å; N1460-S1463 PolarHBondContact O-N 3.31Å; N1460-S1463 PolarHBondContact O-OG 3.37Å |
| 1461 | E | 36.3 | Very low | 45.6 | Very low | 118 Ų | 118 | 77.4 Ų | 77.4 | 55% | 0.551 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -71 | -31.3 | 176.7 | -85.6 | -172.5 | 154.7 | 0 | 0 | 112.8 | E1458 S1463 L1464 | E1458-E1461 PolarHBondContact O-N 3.44Å; E1461-S1463 VanDerWaalsContact C-N 3.25Å; E1461-S1463 PolarHBondContact O-N 3Å; E1461-L1464 PolarHBondContact O-N 3.09Å |
| 1462 | L | 37 | Very low | 48.5 | Very low | 57 Ų | 57 | 72 Ų | 72 | 30% | 0.298 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61 | -33.6 | 173 | -89 | 147.9 | 0 | 0 | 0 | 112.4 | I1433 E1458 L1464 T1465 L1495 | I1433-L1462 HydrophobicContact CD1-CD1 3.89Å; E1458-L1462 PolarHBondContact O-N 3.09Å; L1462-L1464 VanDerWaalsContact C-N 3.33Å; L1462-L1464 PolarHBondContact O-N 2.85Å; L1462-T1465 PolarHBondContact O-N 3.42Å; L1462-T1465 PolarHBondContact O-OG1 3.5Å; L1462-L1495 HydrophobicContact CD2-CD1 4.12Å; L1462-L1495 HydrophobicContact CD2-CD2 4.49Å; L1462-L1495 HydrophobicContact CG-CD1 4.36Å |
| 1463 | S | 33.7 | Very low | 51.3 | Low | 69 Ų | 69 | 63.1 Ų | 63.1 | 48% | 0.483 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 177.5 | 77.7 | 0 | 0 | 0 | 0 | 113.3 | N1460 E1461 T1465 K1466 | N1460-S1463 PolarHBondContact O-N 3.31Å; N1460-S1463 PolarHBondContact O-OG 3.37Å; E1461-S1463 VanDerWaalsContact C-N 3.25Å; E1461-S1463 PolarHBondContact O-N 3Å; S1463-T1465 PolarHBondContact O-N 3.01Å; S1463-K1466 PolarHBondContact O-N 3.13Å |
| 1464 | L | 43.4 | Very low | 54 | Low | 133 Ų | 133 | 56.6 Ų | 56.6 | 70% | 0.696 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -68.8 | -15.7 | -178.7 | -91.2 | 133.3 | 0 | 0 | 0 | 113.6 | E1461 L1462 | E1461-L1464 PolarHBondContact O-N 3.09Å; L1462-L1464 VanDerWaalsContact C-N 3.33Å; L1462-L1464 PolarHBondContact O-N 2.85Å |
| 1465 | T | 51 | Low | 56.5 | Low | 21 Ų | 21 | 53.8 Ų | 53.8 | 13% | 0.129 | 30% | 0.301 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -5.7 | -176.4 | 66.6 | 0 | 0 | 0 | 0 | 114.7 | L1462 S1463 T1467 A1468 L1495 | L1462-T1465 PolarHBondContact O-N 3.42Å; L1462-T1465 PolarHBondContact O-OG1 3.5Å; S1463-T1465 PolarHBondContact O-N 3.01Å; T1465-T1467 PolarHBondContact O-N 3.38Å; T1465-A1468 WeakPolarHBondContact O-CB 3.32Å; T1465-A1468 PolarHBondContact O-N 2.86Å; T1465-L1495 HydrophobicContact CG2-CD2 3.43Å; T1465-L1495 VanDerWaalsContact CG2-CD2 3.43Å; T1465-L1495 WeakPolarHBondContact OG1-CD2 3.32Å |
| 1466 | K | 54.3 | Low | 58.5 | Low | 62 Ų | 62 | 54.7 Ų | 54.7 | 27% | 0.27 | 30% | 0.296 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -22.9 | 178.5 | -67.8 | -169.6 | -178.6 | -173.1 | 0 | 112.3 | E1432 S1463 R1500 | E1432-K1466 IonicContact OE2-NZ 3.45Å; E1432-K1466 PolarHBondContact OE2-NZ 2.86Å; S1463-K1466 PolarHBondContact O-N 3.13Å; K1466-R1500 PolarHBondContact O-NH1 3.24Å |
| 1467 | T | 62.1 | Low | 59.7 | Low | 64 Ų | 64 | 51 Ų | 51 | 39% | 0.393 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106 | 17.4 | 178.5 | 57.2 | 0 | 0 | 0 | 0 | 115.2 | F1269 T1465 | F1269-T1467 HydrophobicContact CB-CG2 4.41Å; F1269-T1467 VanDerWaalsContact CE1-O 3.28Å; F1269-T1467 WeakPolarHBondContact CE1-O 3.27Å; F1269-T1467 HydrophobicContact CG-CG2 4.33Å; T1465-T1467 PolarHBondContact O-N 3.38Å |
| 1468 | A | 76.2 | Confident | 60.7 | Low | 7 Ų | 7 | 51.9 Ų | 51.9 | 6% | 0.058 | 27% | 0.274 | C | S | . | . | trans | -59 | 131.4 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | F1269 S1271 T1465 V1470 G1498 R1500 | F1269-A1468 WeakPolarHBondContact CE1-O 3.19Å; S1271-A1468 WeakPolarHBondContact CB-O 3.49Å; S1271-A1468 PolarHBondContact OG-O 3.42Å; T1465-A1468 WeakPolarHBondContact O-CB 3.32Å; T1465-A1468 PolarHBondContact O-N 2.86Å; A1468-V1470 PolarHBondContact O-N 2.93Å; A1468-G1498 WeakPolarHBondContact CB-O 3.26Å; A1468-R1500 HydrophobicContact CB-CB 3.92Å | ||
| 1469 | P | 81.3 | Confident | 61.5 | Low | 39 Ų | 39 | 52.9 Ų | 52.9 | 25% | 0.253 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -70.1 | -16.8 | -176.2 | 28 | -35.1 | 0 | 0 | 0 | 113.8 | S1271 P1272 F1273 L1404 | S1271-P1469 WeakPolarHBondContact CB-O 3.31Å; P1272-P1469 WeakPolarHBondContact CD-O 3.48Å; F1273-P1469 PolarHBondContact N-O 3.16Å; L1404-P1469 HydrophobicContact CD1-CB 4Å; L1404-P1469 HydrophobicContact CD1-CG 4.43Å |
| 1470 | V | 88.4 | Confident | 62.3 | Low | 0 Ų | 0 | 52.7 Ų | 52.7 | 0% | 0 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 130.4 | 179.2 | -174.1 | 0 | 0 | 0 | 0 | 109.6 | F1273 V1275 A1397 F1400 A1401 L1404 A1468 R1500 | F1273-V1470 HydrophobicContact CB-CG1 4.45Å; F1273-V1470 HydrophobicContact CB-CG2 4.09Å; F1273-V1470 WeakPolarHBondContact O-CA 3.44Å; V1275-V1470 HydrophobicContact CG2-CG1 3.83Å; A1397-V1470 HydrophobicContact CB-CG1 4.08Å; F1400-V1470 HydrophobicContact CB-CG2 4.15Å; A1401-V1470 HydrophobicContact CB-CB 4.44Å; A1401-V1470 HydrophobicContact CB-CG2 3.96Å; L1404-V1470 HydrophobicContact CD1-CG2 4.02Å; A1468-V1470 PolarHBondContact O-N 2.93Å; V1470-R1500 PolarHBondContact O-N 3.36Å; V1470-R1500 VanDerWaalsContact O-N 3.12Å |
| 1471 | T | 90.9 | Very high | 63.1 | Low | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 29% | 0.29 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 133.2 | 173.3 | -68.8 | 0 | 0 | 0 | 0 | 110.6 | S1271 F1273 L1274 V1275 L1473 R1500 E1502 | S1271-T1471 WeakPolarHBondContact CB-OG1 3.33Å; S1271-T1471 PolarHBondContact OG-OG1 2.93Å; F1273-T1471 PolarHBondContact O-N 3.41Å; L1274-T1471 CarbonylContact C-O 3.48Å; L1274-T1471 WeakPolarHBondContact CA-O 3.48Å; V1275-T1471 PolarHBondContact N-O 3.48Å; T1471-L1473 HydrophobicContact CG2-CD2 4.05Å; T1471-R1500 CarbonylContact C-O 3.41Å; T1471-R1500 VanDerWaalsContact CA-O 3.31Å; T1471-R1500 WeakPolarHBondContact CA-O 3.36Å; T1471-R1500 HydrophobicContact CG2-CB 4.46Å; T1471-R1500 HydrophobicContact CG2-CG 4.33Å; T1471-E1502 HydrophobicContact CG2-CB 4.01Å |
| 1472 | I | 91.1 | Very high | 63.7 | Low | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 123.2 | 168.1 | -63.2 | 167.5 | 0 | 0 | 0 | 108.8 | V1275 W1390 I1393 L1394 A1397 I1474 F1490 V1499 R1500 L1501 E1502 | V1275-I1472 HydrophobicContact CB-CG1 4.12Å; V1275-I1472 HydrophobicContact CG1-CG1 4.45Å; V1275-I1472 CarbonylContact O-C 3.51Å; V1275-I1472 VanDerWaalsContact O-CA 3.28Å; V1275-I1472 WeakPolarHBondContact O-CA 3.46Å; W1390-I1472 HydrophobicContact CZ3-CG2 4.43Å; I1393-I1472 HydrophobicContact CG2-CD1 4.2Å; I1393-I1472 HydrophobicContact CG2-CG1 4.42Å; I1393-I1472 HydrophobicContact CG2-CG2 4Å; L1394-I1472 HydrophobicContact CD1-CD1 4Å; A1397-I1472 HydrophobicContact CB-CD1 3.8Å; A1397-I1472 HydrophobicContact CB-CG1 3.77Å; I1472-I1474 HydrophobicContact CG2-CG1 4.43Å; I1472-F1490 HydrophobicContact CD1-CZ 4.37Å; I1472-V1499 HydrophobicContact CD1-CG1 3.6Å; I1472-V1499 HydrophobicContact CG1-CG1 3.66Å; I1472-R1500 PolarHBondContact N-O 3.33Å; I1472-L1501 HydrophobicContact CB-CG 4.5Å; I1472-E1502 PolarHBondContact O-N 3.19Å |
| 1473 | L | 91 | Very high | 64.3 | Low | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 126.5 | 175.1 | -62.9 | -177.3 | 0 | 0 | 0 | 111.2 | L1274 V1275 I1276 D1277 C1280 L1291 T1471 E1502 I1504 F1507 | L1274-L1473 HydrophobicContact CB-CD1 4.19Å; L1274-L1473 HydrophobicContact CD1-CD1 4.06Å; L1274-L1473 HydrophobicContact CD2-CD1 4.38Å; L1274-L1473 HydrophobicContact CD2-CG 4.45Å; L1274-L1473 HydrophobicContact CG-CD1 4.44Å; V1275-L1473 PolarHBondContact O-N 2.7Å; I1276-L1473 HydrophobicContact CG2-CB 4.37Å; I1276-L1473 HydrophobicContact CG2-CD1 4.37Å; D1277-L1473 PolarHBondContact N-O 2.93Å; D1277-L1473 VanDerWaalsContact N-O 3.15Å; C1280-L1473 PolarHBondContact SG-O 3.28Å; L1291-L1473 HydrophobicContact CD1-CD1 3.85Å; T1471-L1473 HydrophobicContact CG2-CD2 4.05Å; L1473-E1502 WeakPolarHBondContact CA-O 3.3Å; L1473-E1502 HydrophobicContact CD2-CB 4.43Å; L1473-I1504 HydrophobicContact CD1-CG1 4.42Å; L1473-F1507 HydrophobicContact CD1-CD1 4.36Å; L1473-F1507 HydrophobicContact CD2-CB 3.54Å; L1473-F1507 HydrophobicContact CD2-CD1 4.26Å; L1473-F1507 HydrophobicContact CD2-CD2 3.9Å; L1473-F1507 HydrophobicContact CD2-CG 3.63Å |
| 1474 | I | 85.1 | Confident | 65.1 | Low | 20 Ų | 20 | 48 Ų | 48 | 10% | 0.103 | 27% | 0.267 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.1 | 132.5 | -177.5 | -51.5 | 178.9 | 0 | 0 | 0 | 110.2 | W1390 L1440 I1472 V1486 L1501 E1502 I1504 | W1390-I1474 HydrophobicContact CH2-CB 4.5Å; W1390-I1474 HydrophobicContact CH2-CD1 3.98Å; W1390-I1474 HydrophobicContact CH2-CG1 3.9Å; W1390-I1474 HydrophobicContact CH2-CG2 3.98Å; W1390-I1474 HydrophobicContact CZ3-CD1 4.36Å; W1390-I1474 HydrophobicContact CZ3-CG1 4.3Å; L1440-I1474 HydrophobicContact CD2-CD1 3.76Å; I1472-I1474 HydrophobicContact CG2-CG1 4.43Å; I1474-V1486 HydrophobicContact CD1-CG2 4.16Å; I1474-L1501 HydrophobicContact CD1-CB 4.45Å; I1474-L1501 HydrophobicContact CD1-CD2 4.14Å; I1474-E1502 PolarHBondContact N-O 3.07Å; I1474-I1504 PolarHBondContact O-N 2.98Å |
| 1475 | G | 79.1 | Confident | 65.6 | Low | 7 Ų | 7 | 44.6 Ų | 44.6 | 7% | 0.072 | 25% | 0.248 | C | C | . | . | trans | -98.6 | 145.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | C1280 | C1280-G1475 PolarHBondContact SG-N 3.33Š| ||
| 1476 | F | 69.7 | Low | 66 | Low | 90 Ų | 90 | 44.2 Ų | 44.2 | 40% | 0.395 | 25% | 0.246 | S | C | . | . | trans | -93.5 | 150.3 | 179.2 | -173.7 | -99.2 | 0 | 0 | 0 | 113 | S1283 H1284 N1478 | S1283-F1476 WeakPolarHBondContact CB-O 3.33Å; S1283-F1476 PolarHBondContact OG-O 3.07Å; H1284-F1476 PolarHBondContact NE2-N 3.11Å; H1284-F1476 PolarHBondContact NE2-O 3.39Å; F1476-N1478 WeakPolarHBondContact CE1-OD1 3.44Å | ||
| 1477 | R | 57.4 | Low | 66.4 | Low | 31 Ų | 31 | 42.5 Ų | 42.5 | 12% | 0.117 | 24% | 0.241 | C | C | . | . | trans | -140.2 | 153.9 | 171.2 | 79.7 | -176.7 | -146.6 | 159.7 | 8.4 | 112.2 | Y1279 T1479 S1480 D1483 T1484 | Y1279-R1477 HydrophobicContact CD1-CB 4.23Å; Y1279-R1477 HydrophobicContact CE1-CB 4.42Å; Y1279-R1477 HydrophobicContact CE1-CG 4.47Å; Y1279-R1477 PolarHBondContact OH-NH1 3.25Å; R1477-T1479 WeakPolarHBondContact CB-OG1 3.4Å; R1477-T1479 WeakPolarHBondContact CD-OG1 3.38Å; R1477-T1479 WeakPolarHBondContact CG-OG1 3.43Å; R1477-T1479 VanDerWaalsContact NE-C 3.3Å; R1477-T1479 PolarHBondContact NE-O 3.37Å; R1477-T1479 PolarHBondContact NE-OG1 3.22Å; R1477-T1479 PolarHBondContact NH2-O 2.67Å; R1477-T1479 PolarHBondContact O-N 3.49Å; R1477-S1480 PolarHBondContact NH2-O 2.62Å; R1477-D1483 IonicContact CZ-OD2 3.75Å; R1477-D1483 IonicContact NH1-OD2 3.96Å; R1477-D1483 PolarHBondContact NH1-OD2 3.48Å; R1477-D1483 IonicContact NH2-OD2 2.79Å; R1477-D1483 PolarHBondContact NH2-OD2 3Å; R1477-T1484 HydrophobicContact CG-CG2 3.4Å | ||
| 1478 | N | 52.8 | Low | 66 | Low | 145 Ų | 145 | 43.5 Ų | 43.5 | 78% | 0.775 | 24% | 0.241 | S | C | * | . | S | Bend | trans | -92.9 | 42 | 171 | -70.7 | 2.1 | 0 | 0 | 0 | 112.6 | F1476 | F1476-N1478 WeakPolarHBondContact CE1-OD1 3.44Š|
| 1479 | T | 48.2 | Very low | 65.5 | Low | 79 Ų | 79 | 49 Ų | 49 | 49% | 0.485 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -133.5 | 158.9 | -173.5 | 27.7 | 0 | 0 | 0 | 0 | 109.5 | R1477 | R1477-T1479 WeakPolarHBondContact CB-OG1 3.4Å; R1477-T1479 WeakPolarHBondContact CD-OG1 3.38Å; R1477-T1479 WeakPolarHBondContact CG-OG1 3.43Å; R1477-T1479 VanDerWaalsContact NE-C 3.3Å; R1477-T1479 PolarHBondContact NE-O 3.37Å; R1477-T1479 PolarHBondContact NE-OG1 3.22Å; R1477-T1479 PolarHBondContact NH2-O 2.67Å; R1477-T1479 PolarHBondContact O-N 3.49Å |
| 1480 | S | 47.8 | Very low | 65.1 | Low | 66 Ų | 66 | 47.6 Ų | 47.6 | 46% | 0.462 | 26% | 0.26 | S | S | . | . | trans | -37.9 | 137.6 | -162.9 | 100.9 | 0 | 0 | 0 | 0 | 115.2 | R1477 D1482 D1483 | R1477-S1480 PolarHBondContact NH2-O 2.62Å; S1480-D1482 PolarHBondContact O-N 3.42Å; S1480-D1482 VanDerWaalsContact O-N 3.08Å; S1480-D1482 PolarHBondContact OG-OD2 3.45Å; S1480-D1483 PolarHBondContact O-N 3.07Å | ||
| 1481 | V | 48.4 | Very low | 64.3 | Low | 90 Ų | 90 | 49.5 Ų | 49.5 | 55% | 0.545 | 27% | 0.269 | S | S | . | . | G | 310 helix | trans | -53.8 | -32.4 | -171.8 | -179.9 | 0 | 0 | 0 | 0 | 111.8 | D1483 T1484 M1485 | V1481-D1483 PolarHBondContact O-N 3.24Å; V1481-T1484 PolarHBondContact O-N 3.06Å; V1481-T1484 VanDerWaalsContact O-N 3.16Å; V1481-T1484 PolarHBondContact O-OG1 2.96Å; V1481-M1485 HydrophobicContact CG1-CE 4.39Å; V1481-M1485 HydrophobicContact CG1-CG 3.74Å; V1481-M1485 HydrophobicContact CG1-SD 3.89Å; V1481-M1485 WeakPolarHBondContact O-CG 3.49Å; V1481-M1485 PolarHBondContact O-N 3.32Å |
| 1482 | D | 48.8 | Very low | 63.4 | Low | 71 Ų | 71 | 54.7 Ų | 54.7 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -55.2 | -48.5 | -174.5 | -44.9 | -54.8 | 0 | 0 | 0 | 112.1 | I1386 S1480 T1484 | I1386-D1482 VanDerWaalsContact CD1-C 3.48Å; I1386-D1482 WeakPolarHBondContact CD1-O 3.33Å; S1480-D1482 PolarHBondContact O-N 3.42Å; S1480-D1482 VanDerWaalsContact O-N 3.08Å; S1480-D1482 PolarHBondContact OG-OD2 3.45Å; D1482-T1484 VanDerWaalsContact C-N 3.33Å; D1482-T1484 PolarHBondContact O-N 3.04Å |
| 1483 | D | 49.4 | Very low | 62.6 | Low | 47 Ų | 47 | 57 Ų | 57 | 25% | 0.251 | 30% | 0.304 | S | S | . | . | G | 310 helix | trans | -72.6 | -18.7 | -177.3 | -86.5 | -28.3 | 0 | 0 | 0 | 115.5 | R1389 R1477 S1480 V1481 | R1389-D1483 PolarHBondContact NH2-O 3.37Å; R1477-D1483 IonicContact CZ-OD2 3.75Å; R1477-D1483 IonicContact NH1-OD2 3.96Å; R1477-D1483 PolarHBondContact NH1-OD2 3.48Å; R1477-D1483 IonicContact NH2-OD2 2.79Å; R1477-D1483 PolarHBondContact NH2-OD2 3Å; S1480-D1483 PolarHBondContact O-N 3.07Å; V1481-D1483 PolarHBondContact O-N 3.24Å |
| 1484 | T | 51.6 | Low | 62 | Low | 36 Ų | 36 | 57 Ų | 57 | 22% | 0.221 | 30% | 0.304 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | -21.4 | -176.6 | 38.4 | 0 | 0 | 0 | 0 | 113.9 | R1477 V1481 D1482 V1486 | R1477-T1484 HydrophobicContact CG-CG2 3.4Å; V1481-T1484 PolarHBondContact O-N 3.06Å; V1481-T1484 VanDerWaalsContact O-N 3.16Å; V1481-T1484 PolarHBondContact O-OG1 2.96Å; D1482-T1484 VanDerWaalsContact C-N 3.33Å; D1482-T1484 PolarHBondContact O-N 3.04Å; T1484-V1486 PolarHBondContact O-N 3.41Å |
| 1485 | M | 52.4 | Low | 61.5 | Low | 62 Ų | 62 | 58 Ų | 58 | 31% | 0.305 | 31% | 0.309 | S | S | . | . | trans | -60.1 | 114.5 | -174.8 | -68.5 | -111.7 | 79.8 | 0 | 0 | 110.2 | N1441 V1481 P1487 | N1441-M1485 WeakPolarHBondContact O-CE 3.43Å; V1481-M1485 HydrophobicContact CG1-CE 4.39Å; V1481-M1485 HydrophobicContact CG1-CG 3.74Å; V1481-M1485 HydrophobicContact CG1-SD 3.89Å; V1481-M1485 WeakPolarHBondContact O-CG 3.49Å; V1481-M1485 PolarHBondContact O-N 3.32Å; M1485-P1487 WeakPolarHBondContact O-CD 3.44Å | ||
| 1486 | V | 60.7 | Low | 61.4 | Low | 12 Ų | 12 | 62.9 Ų | 62.9 | 7% | 0.073 | 33% | 0.334 | C | S | . | . | trans | -76.4 | 118 | 163.9 | 178.8 | 0 | 0 | 0 | 0 | 105.7 | W1390 I1474 T1484 Q1488 F1490 | W1390-V1486 HydrophobicContact CH2-CG2 3.87Å; W1390-V1486 HydrophobicContact CZ2-CG2 3.47Å; W1390-V1486 VanDerWaalsContact CZ2-CG2 3.47Å; I1474-V1486 HydrophobicContact CD1-CG2 4.16Å; T1484-V1486 PolarHBondContact O-N 3.41Å; V1486-Q1488 PolarHBondContact O-N 3.35Å; V1486-F1490 HydrophobicContact CG1-CB 3.8Å; V1486-F1490 HydrophobicContact CG1-CD1 3.4Å; V1486-F1490 HydrophobicContact CG1-CE1 4.31Å; V1486-F1490 HydrophobicContact CG1-CG 3.92Å | ||
| 1487 | P | 61.2 | Low | 61.9 | Low | 27 Ų | 27 | 61.2 Ų | 61.2 | 18% | 0.175 | 33% | 0.327 | C | S | . | . | trans | -55.1 | 135.7 | 178.8 | -24.2 | 33.5 | 0 | 0 | 0 | 110.2 | V1387 M1485 N1489 F1490 | V1387-P1487 HydrophobicContact CG2-CG 4.24Å; M1485-P1487 WeakPolarHBondContact O-CD 3.44Å; P1487-N1489 PolarHBondContact O-N 3.41Å; P1487-F1490 HydrophobicContact CB-CB 4.34Å; P1487-F1490 WeakPolarHBondContact O-CA 3.49Å; P1487-F1490 WeakPolarHBondContact O-CB 3.43Å; P1487-F1490 PolarHBondContact O-N 3.03Å | ||
| 1488 | Q | 53.6 | Low | 63 | Low | 84 Ų | 84 | 60.5 Ų | 60.5 | 39% | 0.393 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -55.4 | -39.7 | -175.2 | -159.5 | 172 | 4.2 | 0 | 0 | 112.3 | V1486 F1490 L1491 | V1486-Q1488 PolarHBondContact O-N 3.35Å; Q1488-F1490 PolarHBondContact O-N 2.82Å; Q1488-L1491 PolarHBondContact O-N 3.29Å |
| 1489 | N | 65.7 | Low | 64.5 | Low | 123 Ų | 123 | 53.6 Ų | 53.6 | 66% | 0.658 | 29% | 0.293 | S | S | * | . | H | α-helix | trans | -62.9 | -21 | 174.9 | -68 | -13.9 | 0 | 0 | 0 | 113.5 | P1487 L1491 K1492 L1493 | P1487-N1489 PolarHBondContact O-N 3.41Å; N1489-L1491 VanDerWaalsContact C-N 3.31Å; N1489-L1491 PolarHBondContact O-N 2.82Å; N1489-K1492 PolarHBondContact O-N 3.27Å; N1489-L1493 VanDerWaalsContact O-CB 3.28Å; N1489-L1493 WeakPolarHBondContact O-CB 3.33Å; N1489-L1493 PolarHBondContact O-N 3.04Å |
| 1490 | F | 73.4 | Confident | 66.2 | Low | 10 Ų | 10 | 51.8 Ų | 51.8 | 4% | 0.044 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.8 | -36 | 179.3 | -171.1 | -105.7 | 0 | 0 | 0 | 112.3 | W1390 L1394 I1472 V1486 P1487 Q1488 L1493 A1494 L1501 | W1390-F1490 VanDerWaalsContact C-CE2 3.47Å; W1390-F1490 HydrophobicContact CB-CD2 3.92Å; W1390-F1490 HydrophobicContact CB-CE2 3.69Å; W1390-F1490 HydrophobicContact CB-CZ 4.11Å; W1390-F1490 HydrophobicContact CD2-CE1 4.27Å; W1390-F1490 HydrophobicContact CD2-CZ 4.29Å; W1390-F1490 HydrophobicContact CE3-CD1 4.26Å; W1390-F1490 AromaticContact CE3-CE1 3.49Å; W1390-F1490 HydrophobicContact CE3-CE1 3.49Å; W1390-F1490 VanDerWaalsContact CE3-CE1 3.49Å; W1390-F1490 HydrophobicContact CE3-CE2 4.29Å; W1390-F1490 AromaticContact CE3-CZ 3.51Å; W1390-F1490 HydrophobicContact CE3-CZ 3.51Å; W1390-F1490 AromaticContact CZ3-CE1 3.96Å; W1390-F1490 HydrophobicContact CZ3-CE1 3.96Å; W1390-F1490 HydrophobicContact CZ3-CZ 4.3Å; W1390-F1490 WeakPolarHBondContact O-CE2 3.27Å; W1390-F1490 WeakPolarHBondContact O-CZ 3.34Å; L1394-F1490 HydrophobicContact CB-CE2 3.55Å; L1394-F1490 HydrophobicContact CB-CZ 3.75Å; L1394-F1490 HydrophobicContact CD2-CD2 4.22Å; L1394-F1490 HydrophobicContact CD2-CE2 3.77Å; L1394-F1490 HydrophobicContact CD2-CZ 4.3Å; L1394-F1490 HydrophobicContact CG-CE2 4.26Å; L1394-F1490 HydrophobicContact CG-CZ 4.48Å; I1472-F1490 HydrophobicContact CD1-CZ 4.37Å; V1486-F1490 HydrophobicContact CG1-CB 3.8Å; V1486-F1490 HydrophobicContact CG1-CD1 3.4Å; V1486-F1490 HydrophobicContact CG1-CE1 4.31Å; V1486-F1490 HydrophobicContact CG1-CG 3.92Å; P1487-F1490 HydrophobicContact CB-CB 4.34Å; P1487-F1490 WeakPolarHBondContact O-CA 3.49Å; P1487-F1490 WeakPolarHBondContact O-CB 3.43Å; P1487-F1490 PolarHBondContact O-N 3.03Å; Q1488-F1490 PolarHBondContact O-N 2.82Å; F1490-L1493 PolarHBondContact O-N 3.34Å; F1490-A1494 WeakPolarHBondContact O-CB 3.39Å; F1490-A1494 PolarHBondContact O-N 3.33Å; F1490-L1501 HydrophobicContact CD1-CD2 3.64Å; F1490-L1501 HydrophobicContact CE1-CD2 3.59Å; F1490-L1501 HydrophobicContact CE1-CG 4.49Å |
| 1491 | L | 70.9 | Confident | 67.9 | Low | 39 Ų | 39 | 49.3 Ų | 49.3 | 20% | 0.204 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 179 | -153.6 | 109.4 | 0 | 0 | 0 | 110.2 | L1440 Q1488 N1489 L1493 A1494 L1495 L1501 | L1440-L1491 HydrophobicContact CD1-CD1 3.74Å; Q1488-L1491 PolarHBondContact O-N 3.29Å; N1489-L1491 VanDerWaalsContact C-N 3.31Å; N1489-L1491 PolarHBondContact O-N 2.82Å; L1491-L1493 VanDerWaalsContact C-N 3.31Å; L1491-L1493 PolarHBondContact O-N 2.93Å; L1491-A1494 PolarHBondContact O-N 2.89Å; L1491-L1495 HydrophobicContact CD2-CD1 4.25Å; L1491-L1495 VanDerWaalsContact O-CG 3.25Å; L1491-L1495 WeakPolarHBondContact O-CG 3.37Å; L1491-L1495 PolarHBondContact O-N 3.31Å; L1491-L1501 HydrophobicContact CD1-CD2 4.42Å |
| 1492 | K | 72.4 | Confident | 69.6 | Low | 110 Ų | 110 | 45.4 Ų | 45.4 | 48% | 0.478 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -59.4 | -43.1 | 175.4 | -165.6 | 168.3 | -166.9 | 157.9 | 0 | 111.3 | E1458 N1489 A1494 L1495 N1496 | E1458-K1492 IonicContact OE1-NZ 2.84Å; E1458-K1492 PolarHBondContact OE1-NZ 2.92Å; N1489-K1492 PolarHBondContact O-N 3.27Å; K1492-A1494 PolarHBondContact O-N 2.85Å; K1492-L1495 PolarHBondContact O-N 3.48Å; K1492-N1496 PolarHBondContact O-N 3.43Å; K1492-N1496 PolarHBondContact O-ND2 3.27Å; K1492-N1496 PolarHBondContact O-OD1 2.94Å |
| 1493 | L | 75.8 | Confident | 71.2 | Confident | 47 Ų | 47 | 43.2 Ų | 43.2 | 25% | 0.246 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -66.4 | -39.5 | -179.2 | -144.5 | 147.5 | 0 | 0 | 0 | 111.7 | I1350 L1394 N1489 F1490 L1491 N1496 H1497 | I1350-L1493 HydrophobicContact CB-CD2 4.36Å; I1350-L1493 HydrophobicContact CD1-CD2 3.65Å; I1350-L1493 HydrophobicContact CG1-CD2 4.03Å; I1350-L1493 HydrophobicContact CG2-CD1 4.07Å; I1350-L1493 HydrophobicContact CG2-CD2 3.45Å; I1350-L1493 VanDerWaalsContact CG2-CD2 3.45Å; I1350-L1493 HydrophobicContact CG2-CG 4.38Å; L1394-L1493 HydrophobicContact CD2-CB 4.2Å; L1394-L1493 HydrophobicContact CD2-CD2 3.44Å; L1394-L1493 VanDerWaalsContact CD2-CD2 3.44Å; L1394-L1493 HydrophobicContact CD2-CG 4.45Å; N1489-L1493 VanDerWaalsContact O-CB 3.28Å; N1489-L1493 WeakPolarHBondContact O-CB 3.33Å; N1489-L1493 PolarHBondContact O-N 3.04Å; F1490-L1493 PolarHBondContact O-N 3.34Å; L1491-L1493 VanDerWaalsContact C-N 3.31Å; L1491-L1493 PolarHBondContact O-N 2.93Å; L1493-N1496 PolarHBondContact O-N 3.4Å; L1493-H1497 PolarHBondContact O-N 3.3Å; L1493-H1497 PolarHBondContact O-ND1 2.86Å |
| 1494 | A | 78.4 | Confident | 72.9 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -69.1 | -40.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | L1394 F1490 L1491 K1492 N1496 H1497 G1498 V1499 L1501 | L1394-A1494 HydrophobicContact CD1-CB 3.69Å; L1394-A1494 HydrophobicContact CD2-CB 4.12Å; F1490-A1494 WeakPolarHBondContact O-CB 3.39Å; F1490-A1494 PolarHBondContact O-N 3.33Å; L1491-A1494 PolarHBondContact O-N 2.89Å; K1492-A1494 PolarHBondContact O-N 2.85Å; A1494-N1496 VanDerWaalsContact C-N 3.3Å; A1494-N1496 PolarHBondContact O-N 3.22Å; A1494-H1497 PolarHBondContact O-N 3.17Å; A1494-G1498 PolarHBondContact O-N 2.95Å; A1494-V1499 CarbonylContact C-O 3Å; A1494-V1499 PolarHBondContact O-N 3.23Å; A1494-L1501 HydrophobicContact CB-CD1 3.24Å; A1494-L1501 HydrophobicContact CB-CG 4.44Å |
| 1495 | L | 74 | Confident | 74.1 | Confident | 42 Ų | 42 | 42.4 Ų | 42.4 | 22% | 0.22 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -58.4 | -43.5 | 174.3 | -68 | 170.1 | 0 | 0 | 0 | 110.8 | L1462 T1465 L1491 K1492 H1497 G1498 | L1462-L1495 HydrophobicContact CD2-CD1 4.12Å; L1462-L1495 HydrophobicContact CD2-CD2 4.49Å; L1462-L1495 HydrophobicContact CG-CD1 4.36Å; T1465-L1495 HydrophobicContact CG2-CD2 3.43Å; T1465-L1495 VanDerWaalsContact CG2-CD2 3.43Å; T1465-L1495 WeakPolarHBondContact OG1-CD2 3.32Å; L1491-L1495 HydrophobicContact CD2-CD1 4.25Å; L1491-L1495 VanDerWaalsContact O-CG 3.25Å; L1491-L1495 WeakPolarHBondContact O-CG 3.37Å; L1491-L1495 PolarHBondContact O-N 3.31Å; K1492-L1495 PolarHBondContact O-N 3.48Å; L1495-H1497 PolarHBondContact O-N 2.97Å; L1495-G1498 PolarHBondContact O-N 3.29Å |
| 1496 | N | 77 | Confident | 75.3 | Confident | 110 Ų | 110 | 41.1 Ų | 41.1 | 59% | 0.588 | 21% | 0.212 | S | C | * | . | H | α-helix | trans | -60.2 | -28.2 | 176.4 | -70.7 | -11.5 | 0 | 0 | 0 | 113.5 | K1492 L1493 A1494 G1498 | K1492-N1496 PolarHBondContact O-N 3.43Å; K1492-N1496 PolarHBondContact O-ND2 3.27Å; K1492-N1496 PolarHBondContact O-OD1 2.94Å; L1493-N1496 PolarHBondContact O-N 3.4Å; A1494-N1496 VanDerWaalsContact C-N 3.3Å; A1494-N1496 PolarHBondContact O-N 3.22Å; N1496-G1498 VanDerWaalsContact C-N 3.34Å |
| 1497 | H | 80.2 | Confident | 76.4 | Confident | 54 Ų | 54 | 40.6 Ų | 40.6 | 25% | 0.25 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 4.5 | 177.9 | -67.8 | 81.6 | 0 | 0 | 0 | 113 | S1398 L1493 A1494 L1495 V1499 | S1398-H1497 PolarHBondContact OG-CD2 2.62Å; S1398-H1497 VanDerWaalsContact OG-CD2 3.24Å; L1493-H1497 PolarHBondContact O-N 3.3Å; L1493-H1497 PolarHBondContact O-ND1 2.86Å; A1494-H1497 PolarHBondContact O-N 3.17Å; L1495-H1497 PolarHBondContact O-N 2.97Å; H1497-V1499 VanDerWaalsContact C-N 3.32Å; H1497-V1499 HydrophobicContact CB-CG2 4.32Å |
| 1498 | G | 80.8 | Confident | 77.4 | Confident | 17 Ų | 17 | 39.7 Ų | 39.7 | 18% | 0.175 | 20% | 0.202 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 67.9 | 31.9 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | A1468 A1494 L1495 N1496 | A1468-G1498 WeakPolarHBondContact CB-O 3.26Å; A1494-G1498 PolarHBondContact O-N 2.95Å; L1495-G1498 PolarHBondContact O-N 3.29Å; N1496-G1498 VanDerWaalsContact C-N 3.34Å |
| 1499 | V | 84.4 | Confident | 78.5 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 133.1 | 179 | 179.1 | 0 | 0 | 0 | 0 | 108.8 | L1394 A1397 A1401 I1472 A1494 H1497 | L1394-V1499 HydrophobicContact CD1-CB 4.11Å; L1394-V1499 HydrophobicContact CD1-CG1 4.27Å; L1394-V1499 HydrophobicContact CD1-CG2 4.15Å; A1397-V1499 HydrophobicContact CB-CB 4.46Å; A1397-V1499 HydrophobicContact CB-CG1 3.71Å; A1397-V1499 HydrophobicContact CB-CG2 3.89Å; A1401-V1499 HydrophobicContact CB-CG2 4.22Å; I1472-V1499 HydrophobicContact CD1-CG1 3.6Å; I1472-V1499 HydrophobicContact CG1-CG1 3.66Å; A1494-V1499 CarbonylContact C-O 3Å; A1494-V1499 PolarHBondContact O-N 3.23Å; H1497-V1499 VanDerWaalsContact C-N 3.32Å; H1497-V1499 HydrophobicContact CB-CG2 4.32Å |
| 1500 | R | 83.8 | Confident | 79.1 | Confident | 41 Ų | 41 | 38.3 Ų | 38.3 | 16% | 0.155 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.6 | 148.7 | 175.9 | 177.1 | 176.8 | 173 | 170.4 | 2.4 | 110.7 | K1466 A1468 V1470 T1471 I1472 E1502 | K1466-R1500 PolarHBondContact O-NH1 3.24Å; A1468-R1500 HydrophobicContact CB-CB 3.92Å; V1470-R1500 PolarHBondContact O-N 3.36Å; V1470-R1500 VanDerWaalsContact O-N 3.12Å; T1471-R1500 CarbonylContact C-O 3.41Å; T1471-R1500 VanDerWaalsContact CA-O 3.31Å; T1471-R1500 WeakPolarHBondContact CA-O 3.36Å; T1471-R1500 HydrophobicContact CG2-CB 4.46Å; T1471-R1500 HydrophobicContact CG2-CG 4.33Å; I1472-R1500 PolarHBondContact N-O 3.33Å; R1500-E1502 IonicContact CZ-OE2 2.74Å; R1500-E1502 VanDerWaalsContact CZ-OE2 3.31Å; R1500-E1502 IonicContact NE-OE2 3.48Å; R1500-E1502 PolarHBondContact NE-OE2 3.22Å; R1500-E1502 IonicContact NH2-OE2 3.37Å; R1500-E1502 PolarHBondContact NH2-OE2 3.31Å |
| 1501 | L | 83.1 | Confident | 79.5 | Confident | 13 Ų | 13 | 38.3 Ų | 38.3 | 7% | 0.068 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.2 | 141.1 | 171.2 | -67.3 | 74.6 | 0 | 0 | 0 | 109.8 | I1472 I1474 F1490 L1491 A1494 | I1472-L1501 HydrophobicContact CB-CG 4.5Å; I1474-L1501 HydrophobicContact CD1-CB 4.45Å; I1474-L1501 HydrophobicContact CD1-CD2 4.14Å; F1490-L1501 HydrophobicContact CD1-CD2 3.64Å; F1490-L1501 HydrophobicContact CE1-CD2 3.59Å; F1490-L1501 HydrophobicContact CE1-CG 4.49Å; L1491-L1501 HydrophobicContact CD1-CD2 4.42Å; A1494-L1501 HydrophobicContact CB-CD1 3.24Å; A1494-L1501 HydrophobicContact CB-CG 4.44Å |
| 1502 | E | 83.7 | Confident | 79.8 | Confident | 8 Ų | 8 | 39.2 Ų | 39.2 | 4% | 0.037 | 19% | 0.191 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154 | 150.8 | 175.7 | -161.6 | 164.5 | 160 | 0 | 0 | 111.4 | T1471 I1472 L1473 I1474 R1500 F1507 R1510 | T1471-E1502 HydrophobicContact CG2-CB 4.01Å; I1472-E1502 PolarHBondContact O-N 3.19Å; L1473-E1502 WeakPolarHBondContact CA-O 3.3Å; L1473-E1502 HydrophobicContact CD2-CB 4.43Å; I1474-E1502 PolarHBondContact N-O 3.07Å; R1500-E1502 IonicContact CZ-OE2 2.74Å; R1500-E1502 VanDerWaalsContact CZ-OE2 3.31Å; R1500-E1502 IonicContact NE-OE2 3.48Å; R1500-E1502 PolarHBondContact NE-OE2 3.22Å; R1500-E1502 IonicContact NH2-OE2 3.37Å; R1500-E1502 PolarHBondContact NH2-OE2 3.31Å; E1502-F1507 HydrophobicContact CG-CB 4.28Å; E1502-F1507 WeakPolarHBondContact OE1-CA 3.45Å; E1502-F1507 PolarHBondContact OE1-N 2.81Å; E1502-F1507 VanDerWaalsContact OE1-N 3.1Å; E1502-R1510 VanDerWaalsContact CD-NH2 3.3Å; E1502-R1510 IonicContact OE1-CZ 3.3Å; E1502-R1510 IonicContact OE1-NE 3.8Å; E1502-R1510 PolarHBondContact OE1-NE 3.32Å; E1502-R1510 IonicContact OE1-NH2 3.28Å; E1502-R1510 PolarHBondContact OE1-NH2 3.49Å; E1502-R1510 IonicContact OE2-CZ 3.19Å; E1502-R1510 IonicContact OE2-NE 3.45Å; E1502-R1510 PolarHBondContact OE2-NE 2.95Å; E1502-R1510 IonicContact OE2-NH2 2.74Å; E1502-R1510 PolarHBondContact OE2-NH2 3.42Å |
| 1503 | S | 83.1 | Confident | 79.7 | Confident | 25 Ų | 25 | 36.9 Ų | 36.9 | 18% | 0.175 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70 | 144.2 | 168.7 | 89.5 | 0 | 0 | 0 | 0 | 109.9 | R1505 S1506 F1507 | S1503-R1505 PolarHBondContact O-N 3.32Å; S1503-R1505 VanDerWaalsContact O-N 3.17Å; S1503-S1506 PolarHBondContact O-N 3.49Å; S1503-S1506 WeakPolarHBondContact OG-CB 3.32Å; S1503-S1506 PolarHBondContact OG-N 2.72Å; S1503-S1506 PolarHBondContact OG-OG 3.27Å; S1503-F1507 PolarHBondContact O-N 2.65Å |
| 1504 | I | 84.1 | Confident | 79.3 | Confident | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -57.8 | -32.3 | 176.9 | -169.8 | 165.7 | 0 | 0 | 0 | 112.2 | C1280 H1284 M1287 V1288 L1291 L1473 I1474 I1508 | C1280-I1504 HydrophobicContact CB-CD1 4.13Å; H1284-I1504 HydrophobicContact CB-CD1 4.05Å; H1284-I1504 HydrophobicContact CB-CG2 4.08Å; M1287-I1504 HydrophobicContact CB-CD1 4Å; M1287-I1504 HydrophobicContact CB-CG1 4.43Å; M1287-I1504 HydrophobicContact SD-CG2 4.48Å; V1288-I1504 HydrophobicContact CG2-CD1 3.92Å; L1291-I1504 HydrophobicContact CD1-CD1 4.4Å; L1291-I1504 HydrophobicContact CD1-CG1 4.47Å; L1473-I1504 HydrophobicContact CD1-CG1 4.42Å; I1474-I1504 PolarHBondContact O-N 2.98Å; I1504-I1508 HydrophobicContact CG1-CD1 3.91Å; I1504-I1508 WeakPolarHBondContact O-CB 3.25Å; I1504-I1508 VanDerWaalsContact O-CG1 3.31Å; I1504-I1508 WeakPolarHBondContact O-CG1 3.5Å; I1504-I1508 PolarHBondContact O-N 3.36Å |
| 1505 | R | 77.8 | Confident | 78.4 | Confident | 64 Ų | 64 | 45.1 Ų | 45.1 | 24% | 0.242 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -66.8 | -49.7 | 177 | -75.1 | -174.8 | 175 | 175.6 | -1.5 | 111.5 | S639 M1287 S1503 F1507 I1508 Q1509 | S639-R1505 PolarHBondContact OG-NH2 2.88Å; M1287-R1505 HydrophobicContact CE-CG 4.41Å; S1503-R1505 PolarHBondContact O-N 3.32Å; S1503-R1505 VanDerWaalsContact O-N 3.17Å; R1505-F1507 VanDerWaalsContact C-N 3.32Å; R1505-F1507 PolarHBondContact O-N 2.89Å; R1505-I1508 PolarHBondContact O-N 3.08Å; R1505-Q1509 WeakPolarHBondContact O-CB 3.4Å; R1505-Q1509 WeakPolarHBondContact O-CG 3.44Å; R1505-Q1509 PolarHBondContact O-N 3.24Å |
| 1506 | S | 77.4 | Confident | 77.1 | Confident | 36 Ų | 36 | 50.9 Ų | 50.9 | 25% | 0.252 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 178.7 | -54.8 | 0 | 0 | 0 | 0 | 110.9 | S1503 I1508 Q1509 R1510 | S1503-S1506 PolarHBondContact O-N 3.49Å; S1503-S1506 WeakPolarHBondContact OG-CB 3.32Å; S1503-S1506 PolarHBondContact OG-N 2.72Å; S1503-S1506 PolarHBondContact OG-OG 3.27Å; S1506-I1508 PolarHBondContact O-N 3.32Å; S1506-Q1509 PolarHBondContact O-N 3.26Å; S1506-R1510 PolarHBondContact O-N 3.24Å |
| 1507 | F | 83.9 | Confident | 77.1 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -45.6 | 178.2 | -176.2 | -89.7 | 0 | 0 | 0 | 111.8 | L1270 L1274 L1291 F1297 L1473 E1502 S1503 R1505 R1510 W1511 | L1270-F1507 HydrophobicContact CD2-CD2 4.45Å; L1270-F1507 HydrophobicContact CD2-CE2 3.88Å; L1270-F1507 HydrophobicContact CD2-CZ 4.06Å; L1274-F1507 HydrophobicContact CD1-CD1 4.49Å; L1274-F1507 HydrophobicContact CD1-CE1 3.66Å; L1274-F1507 HydrophobicContact CD1-CZ 3.73Å; L1274-F1507 HydrophobicContact CD2-CD2 4.34Å; L1274-F1507 HydrophobicContact CD2-CE1 4.15Å; L1274-F1507 HydrophobicContact CD2-CE2 3.6Å; L1274-F1507 HydrophobicContact CD2-CZ 3.5Å; L1274-F1507 VanDerWaalsContact CD2-CZ 3.5Å; L1274-F1507 HydrophobicContact CG-CZ 4.22Å; L1291-F1507 HydrophobicContact CD2-CD1 4.16Å; L1291-F1507 HydrophobicContact CD2-CE1 3.85Å; F1297-F1507 HydrophobicContact CD1-CZ 4.25Å; F1297-F1507 HydrophobicContact CE1-CE1 4.34Å; F1297-F1507 AromaticContact CE1-CZ 3.85Å; F1297-F1507 HydrophobicContact CE1-CZ 3.85Å; F1297-F1507 HydrophobicContact CE2-CE1 4.24Å; F1297-F1507 HydrophobicContact CZ-CE1 4.08Å; F1297-F1507 HydrophobicContact CZ-CZ 4.01Å; L1473-F1507 HydrophobicContact CD1-CD1 4.36Å; L1473-F1507 HydrophobicContact CD2-CB 3.54Å; L1473-F1507 HydrophobicContact CD2-CD1 4.26Å; L1473-F1507 HydrophobicContact CD2-CD2 3.9Å; L1473-F1507 HydrophobicContact CD2-CG 3.63Å; E1502-F1507 HydrophobicContact CG-CB 4.28Å; E1502-F1507 WeakPolarHBondContact OE1-CA 3.45Å; E1502-F1507 PolarHBondContact OE1-N 2.81Å; E1502-F1507 VanDerWaalsContact OE1-N 3.1Å; S1503-F1507 PolarHBondContact O-N 2.65Å; R1505-F1507 VanDerWaalsContact C-N 3.32Å; R1505-F1507 PolarHBondContact O-N 2.89Å; F1507-R1510 PolarHBondContact O-N 3.44Å; F1507-W1511 WeakPolarHBondContact O-CB 3.49Å; F1507-W1511 PolarHBondContact O-N 3.48Å |
| 1508 | I | 81.5 | Confident | 76.9 | Confident | 8 Ų | 8 | 47.6 Ų | 47.6 | 4% | 0.041 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68 | -36.8 | 178.9 | -73.3 | 174.1 | 0 | 0 | 0 | 111.7 | M1287 L1291 I1504 R1505 S1506 W1511 K1512 | M1287-I1508 HydrophobicContact CB-CD1 3.42Å; M1287-I1508 VanDerWaalsContact CB-CD1 3.42Å; M1287-I1508 HydrophobicContact CG-CD1 3.69Å; M1287-I1508 HydrophobicContact SD-CD1 3.81Å; L1291-I1508 HydrophobicContact CD1-CD1 4.37Å; L1291-I1508 HydrophobicContact CD1-CG1 4.46Å; L1291-I1508 HydrophobicContact CD2-CG1 4.2Å; L1291-I1508 HydrophobicContact CG-CD1 4.37Å; L1291-I1508 HydrophobicContact CG-CG1 4.41Å; I1504-I1508 HydrophobicContact CG1-CD1 3.91Å; I1504-I1508 WeakPolarHBondContact O-CB 3.25Å; I1504-I1508 VanDerWaalsContact O-CG1 3.31Å; I1504-I1508 WeakPolarHBondContact O-CG1 3.5Å; I1504-I1508 PolarHBondContact O-N 3.36Å; R1505-I1508 PolarHBondContact O-N 3.08Å; S1506-I1508 PolarHBondContact O-N 3.32Å; I1508-W1511 PolarHBondContact O-N 2.88Å; I1508-K1512 HydrophobicContact CG2-CD 3.88Å; I1508-K1512 HydrophobicContact CG2-CG 4.16Å; I1508-K1512 VanDerWaalsContact O-CB 3.3Å; I1508-K1512 WeakPolarHBondContact O-CB 3.32Å; I1508-K1512 VanDerWaalsContact O-CG 3.28Å; I1508-K1512 WeakPolarHBondContact O-CG 3.42Å; I1508-K1512 PolarHBondContact O-N 2.86Å |
| 1509 | Q | 76.6 | Confident | 76.7 | Confident | 127 Ų | 127 | 49.3 Ų | 49.3 | 59% | 0.593 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -60.8 | -48.4 | 173.9 | -78.5 | 175.8 | -22.1 | 0 | 0 | 111.2 | R1505 S1506 W1511 K1512 A1513 | R1505-Q1509 WeakPolarHBondContact O-CB 3.4Å; R1505-Q1509 WeakPolarHBondContact O-CG 3.44Å; R1505-Q1509 PolarHBondContact O-N 3.24Å; S1506-Q1509 PolarHBondContact O-N 3.26Å; Q1509-W1511 PolarHBondContact O-N 3.44Å; Q1509-K1512 PolarHBondContact O-N 3.35Å; Q1509-A1513 WeakPolarHBondContact O-CB 3.28Å; Q1509-A1513 PolarHBondContact O-N 2.94Å |
| 1510 | R | 80 | Confident | 76.2 | Confident | 52 Ų | 52 | 52.2 Ų | 52.2 | 20% | 0.196 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -62.3 | -44 | 175.6 | -68.9 | -166.1 | -54.4 | 117.9 | 10.8 | 112 | F1269 L1270 E1502 S1506 F1507 K1512 A1513 I1514 | F1269-R1510 PolarHBondContact O-NH1 3.27Å; L1270-R1510 HydrophobicContact CD2-CB 4.49Å; E1502-R1510 VanDerWaalsContact CD-NH2 3.3Å; E1502-R1510 IonicContact OE1-CZ 3.3Å; E1502-R1510 IonicContact OE1-NE 3.8Å; E1502-R1510 PolarHBondContact OE1-NE 3.32Å; E1502-R1510 IonicContact OE1-NH2 3.28Å; E1502-R1510 PolarHBondContact OE1-NH2 3.49Å; E1502-R1510 IonicContact OE2-CZ 3.19Å; E1502-R1510 IonicContact OE2-NE 3.45Å; E1502-R1510 PolarHBondContact OE2-NE 2.95Å; E1502-R1510 IonicContact OE2-NH2 2.74Å; E1502-R1510 PolarHBondContact OE2-NH2 3.42Å; S1506-R1510 PolarHBondContact O-N 3.24Å; F1507-R1510 PolarHBondContact O-N 3.44Å; R1510-K1512 PolarHBondContact O-N 3.1Å; R1510-A1513 PolarHBondContact O-N 3.32Å; R1510-I1514 WeakPolarHBondContact O-CD1 3.45Å; R1510-I1514 VanDerWaalsContact O-CG1 3.31Å; R1510-I1514 WeakPolarHBondContact O-CG1 3.22Å; R1510-I1514 PolarHBondContact O-N 3.49Å |
| 1511 | W | 81.5 | Confident | 75.8 | Confident | 9 Ų | 9 | 52.9 Ų | 52.9 | 3% | 0.034 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.8 | -43.7 | 177.7 | 172.2 | 48.2 | 0 | 0 | 0 | 112.5 | L1270 Q1290 L1291 S1294 F1297 F1507 I1508 Q1509 I1514 K1515 | L1270-W1511 HydrophobicContact CD1-CB 4.08Å; L1270-W1511 HydrophobicContact CD1-CG 4.28Å; L1270-W1511 HydrophobicContact CD2-CB 4.46Å; Q1290-W1511 HydrophobicContact CG-CH2 4.08Å; Q1290-W1511 HydrophobicContact CG-CZ3 3.93Å; L1291-W1511 HydrophobicContact CD2-CD2 4.48Å; L1291-W1511 HydrophobicContact CD2-CE3 3.89Å; L1291-W1511 HydrophobicContact CD2-CZ3 4.04Å; S1294-W1511 VanDerWaalsContact CB-CZ2 3.45Å; F1297-W1511 AromaticContact CE2-CD1 3.99Å; F1297-W1511 HydrophobicContact CE2-CD2 4.04Å; F1297-W1511 AromaticContact CE2-CE2 3.88Å; F1297-W1511 HydrophobicContact CE2-CG 4.12Å; F1297-W1511 HydrophobicContact CE2-CZ2 4.44Å; F1297-W1511 AromaticContact CE2-NE1 3.83Å; F1297-W1511 AromaticContact CZ-CD1 3.69Å; F1297-W1511 HydrophobicContact CZ-CD2 4.43Å; F1297-W1511 HydrophobicContact CZ-CG 4.03Å; F1297-W1511 AromaticContact CZ-NE1 3.89Å; F1507-W1511 WeakPolarHBondContact O-CB 3.49Å; F1507-W1511 PolarHBondContact O-N 3.48Å; I1508-W1511 PolarHBondContact O-N 2.88Å; Q1509-W1511 PolarHBondContact O-N 3.44Å; W1511-I1514 PolarHBondContact O-N 3.16Å; W1511-K1515 WeakPolarHBondContact O-CB 3.41Å; W1511-K1515 PolarHBondContact O-N 3.49Å |
| 1512 | K | 76.7 | Confident | 75.3 | Confident | 58 Ų | 58 | 55.6 Ų | 55.6 | 25% | 0.252 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -63.3 | -42.9 | 175.6 | -75.8 | -180 | 179.1 | -176.8 | 0 | 111 | T642 I1508 Q1509 R1510 I1514 K1515 T1516 | T642-K1512 PolarHBondContact OG1-NZ 3.42Å; I1508-K1512 HydrophobicContact CG2-CD 3.88Å; I1508-K1512 HydrophobicContact CG2-CG 4.16Å; I1508-K1512 VanDerWaalsContact O-CB 3.3Å; I1508-K1512 WeakPolarHBondContact O-CB 3.32Å; I1508-K1512 VanDerWaalsContact O-CG 3.28Å; I1508-K1512 WeakPolarHBondContact O-CG 3.42Å; I1508-K1512 PolarHBondContact O-N 2.86Å; Q1509-K1512 PolarHBondContact O-N 3.35Å; R1510-K1512 PolarHBondContact O-N 3.1Å; K1512-I1514 VanDerWaalsContact C-N 3.28Å; K1512-I1514 PolarHBondContact O-N 3.03Å; K1512-K1515 PolarHBondContact O-N 2.95Å; K1512-K1515 VanDerWaalsContact O-N 3.1Å; K1512-T1516 PolarHBondContact O-N 3.2Å; K1512-T1516 PolarHBondContact O-OG1 3.15Å; K1512-T1516 VanDerWaalsContact O-OG1 3.12Å |
| 1513 | A | 70.6 | Confident | 74.7 | Confident | 62 Ų | 62 | 59 Ų | 59 | 51% | 0.512 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.6 | -30.6 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | Q1509 R1510 T1516 | Q1509-A1513 WeakPolarHBondContact O-CB 3.28Å; Q1509-A1513 PolarHBondContact O-N 2.94Å; R1510-A1513 PolarHBondContact O-N 3.32Å; A1513-T1516 WeakPolarHBondContact CA-OG1 3.38Å; A1513-T1516 PolarHBondContact O-OG1 3.18Å; A1513-T1516 VanDerWaalsContact O-OXT 3.06Å |
| 1514 | I | 67.7 | Low | 74 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 38% | 0.379 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -79.7 | -26.4 | 174.1 | -67.3 | 160 | 0 | 0 | 0 | 111.6 | S1268 L1270 R1510 W1511 K1512 | S1268-I1514 WeakPolarHBondContact O-CD1 3.12Å; L1270-I1514 HydrophobicContact CD1-CD1 3.7Å; L1270-I1514 HydrophobicContact CD2-CD1 4.05Å; L1270-I1514 HydrophobicContact CG-CD1 3.7Å; R1510-I1514 WeakPolarHBondContact O-CD1 3.45Å; R1510-I1514 VanDerWaalsContact O-CG1 3.31Å; R1510-I1514 WeakPolarHBondContact O-CG1 3.22Å; R1510-I1514 PolarHBondContact O-N 3.49Å; W1511-I1514 PolarHBondContact O-N 3.16Å; K1512-I1514 VanDerWaalsContact C-N 3.28Å; K1512-I1514 PolarHBondContact O-N 3.03Å |
| 1515 | K | 58.5 | Low | 73.2 | Confident | 146 Ų | 146 | 66.6 Ų | 66.6 | 64% | 0.635 | 35% | 0.345 | S | S | * | . | H | α-helix | trans | -78.1 | -36.2 | 178.8 | -170.9 | -178 | 178.6 | -175.6 | 0 | 112 | W1511 K1512 | W1511-K1515 WeakPolarHBondContact O-CB 3.41Å; W1511-K1515 PolarHBondContact O-N 3.49Å; K1512-K1515 PolarHBondContact O-N 2.95Å; K1512-K1515 VanDerWaalsContact O-N 3.1Å |
| 1516 | T | 46 | Very low | 72.8 | Confident | 163 Ų | 163 | 66.8 Ų | 66.8 | 100% | 1 | 35% | 0.354 | S | S | * | . | trans | -73.9 | 0 | 171.1 | 51.3 | 0 | 0 | 0 | 0 | 110.6 | K1512 A1513 | K1512-T1516 PolarHBondContact O-N 3.2Å; K1512-T1516 PolarHBondContact O-OG1 3.15Å; K1512-T1516 VanDerWaalsContact O-OG1 3.12Å; A1513-T1516 WeakPolarHBondContact CA-OG1 3.38Å; A1513-T1516 PolarHBondContact O-OG1 3.18Å; A1513-T1516 VanDerWaalsContact O-OXT 3.06Å |
Retrieved 1,516 of 1,516 residues in 946.4 ms
(Link to these results)